USER MOD reduce.3.24.130724 H: found=0, std=0, add=478, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 466 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 9 CYS SG : rot 118:sc= 2.17 USER MOD Set 1.2: B 12 CYS SG : rot -61:sc= -1.36! USER MOD Set 1.3: B 28 CYS SG : rot 109:sc= -1.4! USER MOD Set 1.4: B 29 CYS SG : rot -31:sc= -5.77! USER MOD Set 2.1: A 9 CYS SG : rot 50:sc= 0.624 USER MOD Set 2.2: A 12 CYS SG : rot -61:sc= -1.12! USER MOD Set 2.3: A 14 GLN : amide:sc= -5.67! C(o=-7!,f=-7.2!) USER MOD Set 2.4: A 28 CYS SG : rot -128:sc= 0.427 USER MOD Set 2.5: A 29 CYS SG : rot 57:sc= -1.31! USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 169:sc= -0.0419 (180deg=-0.201) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl 174:sc= -6.13! (180deg=-6.48!) USER MOD Single : A 35 LYS NZ :NH3+ 170:sc= 0.0763 (180deg=-0.0216) USER MOD Single : A 36 GLN : amide:sc= -1.57! K(o=-1.6!,f=-0.64) USER MOD Single : B 7 TYR OH : rot 180:sc= 0 USER MOD Single : B 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 14 GLN : amide:sc= -4.97 K(o=-5,f=-7.7!) 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 144:sc= -3.63! (180deg=-9.73!) USER MOD Single : B 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 36 GLN : amide:sc= -1.83! K(o=-1.8!,f=-0.84) USER MOD ----------------------------------------------------------------- ATOM 25 N GLU A 3 3.952 5.414 -2.072 1.00 31.11 N ATOM 26 CA GLU A 3 4.166 5.946 -3.407 1.00 50.03 C ATOM 27 C GLU A 3 5.540 5.523 -3.932 1.00 12.54 C ATOM 28 O GLU A 3 6.502 5.443 -3.170 1.00 51.51 O ATOM 29 CB GLU A 3 4.018 7.468 -3.421 1.00 12.21 C ATOM 30 CG GLU A 3 4.367 8.041 -4.797 1.00 24.22 C ATOM 31 CD GLU A 3 4.269 9.568 -4.796 1.00 21.42 C ATOM 32 OE1 GLU A 3 3.192 10.120 -4.528 1.00 15.03 O ATOM 33 OE2 GLU A 3 5.364 10.184 -5.088 1.00 15.41 O ATOM 0 HA GLU A 3 3.403 5.534 -4.068 1.00 50.03 H new ATOM 0 HB2 GLU A 3 2.996 7.740 -3.159 1.00 12.21 H new ATOM 0 HB3 GLU A 3 4.669 7.907 -2.665 1.00 12.21 H new ATOM 0 HG2 GLU A 3 5.376 7.738 -5.076 1.00 24.22 H new ATOM 0 HG3 GLU A 3 3.692 7.630 -5.548 1.00 24.22 H new ATOM 40 N GLY A 4 5.588 5.264 -5.230 1.00 14.30 N ATOM 41 CA GLY A 4 6.827 4.853 -5.866 1.00 65.43 C ATOM 42 C GLY A 4 7.026 3.340 -5.752 1.00 41.32 C ATOM 43 O GLY A 4 8.156 2.854 -5.788 1.00 75.14 O ATOM 0 H GLY A 4 4.788 5.331 -5.859 1.00 14.30 H new ATOM 0 HA2 GLY A 4 6.815 5.144 -6.916 1.00 65.43 H new ATOM 0 HA3 GLY A 4 7.667 5.370 -5.402 1.00 65.43 H new ATOM 47 N ASP A 5 5.911 2.637 -5.616 1.00 12.21 N ATOM 48 CA ASP A 5 5.948 1.190 -5.496 1.00 50.54 C ATOM 49 C ASP A 5 5.604 0.561 -6.849 1.00 3.41 C ATOM 50 O ASP A 5 4.838 1.130 -7.624 1.00 75.21 O ATOM 51 CB ASP A 5 4.925 0.696 -4.472 1.00 71.41 C ATOM 52 CG ASP A 5 5.373 0.790 -3.012 1.00 63.24 C ATOM 53 OD1 ASP A 5 6.575 0.877 -2.718 1.00 43.31 O ATOM 54 OD2 ASP A 5 4.418 0.769 -2.146 1.00 42.25 O ATOM 0 H ASP A 5 4.976 3.043 -5.586 1.00 12.21 H new ATOM 0 HA ASP A 5 6.949 0.904 -5.173 1.00 50.54 H new ATOM 0 HB2 ASP A 5 4.007 1.271 -4.592 1.00 71.41 H new ATOM 0 HB3 ASP A 5 4.682 -0.343 -4.696 1.00 71.41 H new ATOM 59 N VAL A 6 6.190 -0.602 -7.089 1.00 74.13 N ATOM 60 CA VAL A 6 5.955 -1.314 -8.334 1.00 74.14 C ATOM 61 C VAL A 6 5.315 -2.670 -8.030 1.00 34.34 C ATOM 62 O VAL A 6 5.722 -3.356 -7.094 1.00 24.22 O ATOM 63 CB VAL A 6 7.261 -1.433 -9.123 1.00 61.00 C ATOM 64 CG1 VAL A 6 7.248 -2.671 -10.021 1.00 71.45 C ATOM 65 CG2 VAL A 6 7.526 -0.166 -9.939 1.00 31.33 C ATOM 0 H VAL A 6 6.827 -1.069 -6.443 1.00 74.13 H new ATOM 0 HA VAL A 6 5.259 -0.761 -8.964 1.00 74.14 H new ATOM 0 HB VAL A 6 8.075 -1.547 -8.408 1.00 61.00 H new ATOM 0 HG11 VAL A 6 8.187 -2.732 -10.570 1.00 71.45 H new ATOM 0 HG12 VAL A 6 7.128 -3.564 -9.408 1.00 71.45 H new ATOM 0 HG13 VAL A 6 6.419 -2.601 -10.726 1.00 71.45 H new ATOM 0 HG21 VAL A 6 8.460 -0.277 -10.490 1.00 31.33 H new ATOM 0 HG22 VAL A 6 6.707 -0.007 -10.641 1.00 31.33 H new ATOM 0 HG23 VAL A 6 7.600 0.690 -9.268 1.00 31.33 H new ATOM 75 N TYR A 7 4.323 -3.015 -8.838 1.00 22.53 N ATOM 76 CA TYR A 7 3.623 -4.278 -8.665 1.00 4.50 C ATOM 77 C TYR A 7 3.617 -5.083 -9.966 1.00 42.21 C ATOM 78 O TYR A 7 3.601 -4.511 -11.055 1.00 23.13 O ATOM 79 CB TYR A 7 2.183 -3.913 -8.298 1.00 12.03 C ATOM 80 CG TYR A 7 1.983 -3.584 -6.818 1.00 15.42 C ATOM 81 CD1 TYR A 7 2.580 -2.465 -6.273 1.00 64.01 C ATOM 82 CD2 TYR A 7 1.204 -4.404 -6.027 1.00 23.13 C ATOM 83 CE1 TYR A 7 2.391 -2.154 -4.880 1.00 23.05 C ATOM 84 CE2 TYR A 7 1.016 -4.094 -4.634 1.00 35.21 C ATOM 85 CZ TYR A 7 1.619 -2.984 -4.129 1.00 13.34 C ATOM 86 OH TYR A 7 1.440 -2.691 -2.812 1.00 40.14 O ATOM 0 H TYR A 7 3.987 -2.443 -9.613 1.00 22.53 H new ATOM 0 HA TYR A 7 4.108 -4.886 -7.901 1.00 4.50 H new ATOM 0 HB2 TYR A 7 1.873 -3.056 -8.895 1.00 12.03 H new ATOM 0 HB3 TYR A 7 1.529 -4.742 -8.567 1.00 12.03 H new ATOM 0 HD1 TYR A 7 3.189 -1.823 -6.892 1.00 64.01 H new ATOM 0 HD2 TYR A 7 0.735 -5.279 -6.453 1.00 23.13 H new ATOM 0 HE1 TYR A 7 2.852 -1.281 -4.442 1.00 23.05 H new ATOM 0 HE2 TYR A 7 0.410 -4.728 -4.004 1.00 35.21 H new ATOM 0 HH TYR A 7 0.865 -3.370 -2.401 1.00 40.14 H new ATOM 96 N LYS A 8 3.632 -6.398 -9.810 1.00 33.12 N ATOM 97 CA LYS A 8 3.628 -7.288 -10.958 1.00 34.33 C ATOM 98 C LYS A 8 2.557 -8.363 -10.761 1.00 51.14 C ATOM 99 O LYS A 8 2.288 -8.778 -9.635 1.00 55.43 O ATOM 100 CB LYS A 8 5.029 -7.853 -11.203 1.00 34.12 C ATOM 101 CG LYS A 8 5.005 -8.928 -12.291 1.00 35.23 C ATOM 102 CD LYS A 8 6.419 -9.249 -12.777 1.00 3.35 C ATOM 103 CE LYS A 8 6.384 -10.167 -14.000 1.00 3.02 C ATOM 104 NZ LYS A 8 7.740 -10.676 -14.305 1.00 4.51 N ATOM 0 H LYS A 8 3.647 -6.869 -8.905 1.00 33.12 H new ATOM 0 HA LYS A 8 3.368 -6.740 -11.864 1.00 34.33 H new ATOM 0 HB2 LYS A 8 5.703 -7.048 -11.497 1.00 34.12 H new ATOM 0 HB3 LYS A 8 5.421 -8.276 -10.278 1.00 34.12 H new ATOM 0 HG2 LYS A 8 4.536 -9.832 -11.903 1.00 35.23 H new ATOM 0 HG3 LYS A 8 4.397 -8.588 -13.129 1.00 35.23 H new ATOM 0 HD2 LYS A 8 6.940 -8.325 -13.027 1.00 3.35 H new ATOM 0 HD3 LYS A 8 6.983 -9.726 -11.976 1.00 3.35 H new ATOM 0 HE2 LYS A 8 5.708 -11.002 -13.816 1.00 3.02 H new ATOM 0 HE3 LYS A 8 5.991 -9.623 -14.859 1.00 3.02 H new ATOM 0 HZ1 LYS A 8 7.698 -11.297 -15.138 1.00 4.51 H new ATOM 0 HZ2 LYS A 8 8.375 -9.876 -14.501 1.00 4.51 H new ATOM 0 HZ3 LYS A 8 8.101 -11.213 -13.490 1.00 4.51 H new ATOM 117 N CYS A 9 1.975 -8.784 -11.875 1.00 21.22 N ATOM 118 CA CYS A 9 0.940 -9.803 -11.839 1.00 61.11 C ATOM 119 C CYS A 9 1.614 -11.168 -11.682 1.00 60.35 C ATOM 120 O CYS A 9 2.832 -11.282 -11.817 1.00 32.35 O ATOM 121 CB CYS A 9 0.048 -9.747 -13.081 1.00 2.20 C ATOM 122 SG CYS A 9 -1.521 -10.681 -12.942 1.00 35.33 S ATOM 0 H CYS A 9 2.201 -8.438 -12.808 1.00 21.22 H new ATOM 0 HA CYS A 9 0.281 -9.625 -10.990 1.00 61.11 H new ATOM 0 HB2 CYS A 9 -0.184 -8.704 -13.298 1.00 2.20 H new ATOM 0 HB3 CYS A 9 0.610 -10.132 -13.932 1.00 2.20 H new ATOM 0 HG CYS A 9 -2.123 -10.356 -11.836 1.00 35.33 H new ATOM 127 N GLU A 10 0.793 -12.169 -11.400 1.00 2.32 N ATOM 128 CA GLU A 10 1.295 -13.521 -11.222 1.00 32.41 C ATOM 129 C GLU A 10 0.747 -14.438 -12.318 1.00 41.31 C ATOM 130 O GLU A 10 0.757 -15.659 -12.173 1.00 21.44 O ATOM 131 CB GLU A 10 0.945 -14.058 -9.833 1.00 25.20 C ATOM 132 CG GLU A 10 1.979 -13.611 -8.797 1.00 2.13 C ATOM 133 CD GLU A 10 3.249 -14.459 -8.888 1.00 3.53 C ATOM 134 OE1 GLU A 10 3.505 -15.082 -9.928 1.00 55.21 O ATOM 135 OE2 GLU A 10 3.984 -14.455 -7.828 1.00 43.11 O ATOM 0 H GLU A 10 -0.216 -12.071 -11.290 1.00 2.32 H new ATOM 0 HA GLU A 10 2.382 -13.498 -11.303 1.00 32.41 H new ATOM 0 HB2 GLU A 10 -0.044 -13.705 -9.541 1.00 25.20 H new ATOM 0 HB3 GLU A 10 0.899 -15.147 -9.861 1.00 25.20 H new ATOM 0 HG2 GLU A 10 2.226 -12.561 -8.955 1.00 2.13 H new ATOM 0 HG3 GLU A 10 1.555 -13.692 -7.796 1.00 2.13 H new ATOM 142 N LEU A 11 0.283 -13.813 -13.390 1.00 74.42 N ATOM 143 CA LEU A 11 -0.269 -14.558 -14.510 1.00 25.15 C ATOM 144 C LEU A 11 0.131 -13.873 -15.818 1.00 3.51 C ATOM 145 O LEU A 11 0.956 -14.391 -16.568 1.00 22.52 O ATOM 146 CB LEU A 11 -1.779 -14.735 -14.344 1.00 60.34 C ATOM 147 CG LEU A 11 -2.571 -14.976 -15.631 1.00 70.32 C ATOM 148 CD1 LEU A 11 -2.214 -16.330 -16.248 1.00 75.53 C ATOM 149 CD2 LEU A 11 -4.074 -14.837 -15.384 1.00 74.41 C ATOM 0 H LEU A 11 0.278 -12.800 -13.507 1.00 74.42 H new ATOM 0 HA LEU A 11 0.144 -15.566 -14.538 1.00 25.15 H new ATOM 0 HB2 LEU A 11 -1.955 -15.574 -13.670 1.00 60.34 H new ATOM 0 HB3 LEU A 11 -2.178 -13.845 -13.857 1.00 60.34 H new ATOM 0 HG LEU A 11 -2.292 -14.209 -16.353 1.00 70.32 H new ATOM 0 HD11 LEU A 11 -2.790 -16.477 -17.161 1.00 75.53 H new ATOM 0 HD12 LEU A 11 -1.150 -16.354 -16.483 1.00 75.53 H new ATOM 0 HD13 LEU A 11 -2.447 -17.125 -15.540 1.00 75.53 H new ATOM 0 HD21 LEU A 11 -4.613 -15.013 -16.315 1.00 74.41 H new ATOM 0 HD22 LEU A 11 -4.389 -15.567 -14.638 1.00 74.41 H new ATOM 0 HD23 LEU A 11 -4.292 -13.832 -15.023 1.00 74.41 H new ATOM 161 N CYS A 12 -0.473 -12.717 -16.052 1.00 74.04 N ATOM 162 CA CYS A 12 -0.192 -11.955 -17.257 1.00 24.41 C ATOM 163 C CYS A 12 1.216 -11.369 -17.135 1.00 61.24 C ATOM 164 O CYS A 12 1.766 -10.857 -18.110 1.00 74.21 O ATOM 165 CB CYS A 12 -1.243 -10.872 -17.500 1.00 44.23 C ATOM 166 SG CYS A 12 -1.195 -9.476 -16.317 1.00 64.52 S ATOM 0 H CYS A 12 -1.156 -12.289 -15.427 1.00 74.04 H new ATOM 0 HA CYS A 12 -0.238 -12.612 -18.126 1.00 24.41 H new ATOM 0 HB2 CYS A 12 -1.113 -10.480 -18.509 1.00 44.23 H new ATOM 0 HB3 CYS A 12 -2.232 -11.329 -17.460 1.00 44.23 H new ATOM 0 HG CYS A 12 -1.421 -9.918 -15.115 1.00 64.52 H new ATOM 171 N GLY A 13 1.760 -11.462 -15.931 1.00 1.33 N ATOM 172 CA GLY A 13 3.093 -10.947 -15.669 1.00 42.44 C ATOM 173 C GLY A 13 3.196 -9.470 -16.059 1.00 3.11 C ATOM 174 O GLY A 13 4.207 -9.040 -16.612 1.00 51.31 O ATOM 0 H GLY A 13 1.301 -11.887 -15.125 1.00 1.33 H new ATOM 0 HA2 GLY A 13 3.331 -11.065 -14.612 1.00 42.44 H new ATOM 0 HA3 GLY A 13 3.827 -11.527 -16.228 1.00 42.44 H new ATOM 178 N GLN A 14 2.137 -8.736 -15.755 1.00 34.02 N ATOM 179 CA GLN A 14 2.095 -7.316 -16.066 1.00 21.52 C ATOM 180 C GLN A 14 2.778 -6.510 -14.959 1.00 55.04 C ATOM 181 O GLN A 14 2.639 -6.828 -13.779 1.00 75.34 O ATOM 182 CB GLN A 14 0.655 -6.845 -16.281 1.00 4.44 C ATOM 183 CG GLN A 14 0.545 -5.328 -16.108 1.00 41.35 C ATOM 184 CD GLN A 14 -0.529 -4.749 -17.032 1.00 42.41 C ATOM 185 OE1 GLN A 14 -0.250 -4.032 -17.978 1.00 43.33 O ATOM 186 NE2 GLN A 14 -1.770 -5.098 -16.705 1.00 32.24 N ATOM 0 H GLN A 14 1.300 -9.097 -15.296 1.00 34.02 H new ATOM 0 HA GLN A 14 2.639 -7.150 -16.996 1.00 21.52 H new ATOM 0 HB2 GLN A 14 0.321 -7.126 -17.280 1.00 4.44 H new ATOM 0 HB3 GLN A 14 -0.005 -7.345 -15.572 1.00 4.44 H new ATOM 0 HG2 GLN A 14 0.304 -5.093 -15.071 1.00 41.35 H new ATOM 0 HG3 GLN A 14 1.506 -4.863 -16.325 1.00 41.35 H new ATOM 0 HE21 GLN A 14 -1.934 -5.702 -15.900 1.00 32.24 H new ATOM 0 HE22 GLN A 14 -2.557 -4.762 -17.260 1.00 32.24 H new ATOM 195 N VAL A 15 3.500 -5.482 -15.380 1.00 35.23 N ATOM 196 CA VAL A 15 4.204 -4.628 -14.439 1.00 21.25 C ATOM 197 C VAL A 15 3.574 -3.233 -14.453 1.00 21.41 C ATOM 198 O VAL A 15 3.319 -2.675 -15.519 1.00 3.34 O ATOM 199 CB VAL A 15 5.700 -4.613 -14.765 1.00 14.54 C ATOM 200 CG1 VAL A 15 6.475 -3.789 -13.734 1.00 62.33 C ATOM 201 CG2 VAL A 15 6.254 -6.035 -14.860 1.00 42.00 C ATOM 0 H VAL A 15 3.613 -5.221 -16.360 1.00 35.23 H new ATOM 0 HA VAL A 15 4.110 -5.017 -13.425 1.00 21.25 H new ATOM 0 HB VAL A 15 5.828 -4.139 -15.738 1.00 14.54 H new ATOM 0 HG11 VAL A 15 7.535 -3.793 -13.987 1.00 62.33 H new ATOM 0 HG12 VAL A 15 6.106 -2.763 -13.736 1.00 62.33 H new ATOM 0 HG13 VAL A 15 6.337 -4.222 -12.743 1.00 62.33 H new ATOM 0 HG21 VAL A 15 7.318 -5.996 -15.092 1.00 42.00 H new ATOM 0 HG22 VAL A 15 6.109 -6.546 -13.908 1.00 42.00 H new ATOM 0 HG23 VAL A 15 5.730 -6.578 -15.647 1.00 42.00 H new ATOM 211 N VAL A 16 3.342 -2.712 -13.257 1.00 21.40 N ATOM 212 CA VAL A 16 2.747 -1.394 -13.119 1.00 2.20 C ATOM 213 C VAL A 16 3.374 -0.680 -11.920 1.00 1.14 C ATOM 214 O VAL A 16 4.000 -1.315 -11.072 1.00 3.53 O ATOM 215 CB VAL A 16 1.225 -1.514 -13.015 1.00 23.44 C ATOM 216 CG1 VAL A 16 0.615 -1.925 -14.356 1.00 52.11 C ATOM 217 CG2 VAL A 16 0.828 -2.494 -11.908 1.00 42.31 C ATOM 0 H VAL A 16 3.555 -3.179 -12.375 1.00 21.40 H new ATOM 0 HA VAL A 16 2.951 -0.788 -14.002 1.00 2.20 H new ATOM 0 HB VAL A 16 0.828 -0.533 -12.753 1.00 23.44 H new ATOM 0 HG11 VAL A 16 -0.467 -2.003 -14.255 1.00 52.11 H new ATOM 0 HG12 VAL A 16 0.856 -1.176 -15.110 1.00 52.11 H new ATOM 0 HG13 VAL A 16 1.021 -2.890 -14.660 1.00 52.11 H new ATOM 0 HG21 VAL A 16 -0.259 -2.562 -11.854 1.00 42.31 H new ATOM 0 HG22 VAL A 16 1.242 -3.478 -12.127 1.00 42.31 H new ATOM 0 HG23 VAL A 16 1.217 -2.141 -10.953 1.00 42.31 H new ATOM 227 N LYS A 17 3.184 0.631 -11.887 1.00 30.14 N ATOM 228 CA LYS A 17 3.723 1.438 -10.804 1.00 41.44 C ATOM 229 C LYS A 17 2.570 2.076 -10.027 1.00 43.12 C ATOM 230 O LYS A 17 1.426 2.053 -10.477 1.00 10.42 O ATOM 231 CB LYS A 17 4.734 2.451 -11.345 1.00 62.32 C ATOM 232 CG LYS A 17 5.755 2.834 -10.271 1.00 14.14 C ATOM 233 CD LYS A 17 5.689 4.331 -9.961 1.00 1.11 C ATOM 234 CE LYS A 17 6.937 5.051 -10.473 1.00 11.51 C ATOM 235 NZ LYS A 17 7.853 5.362 -9.352 1.00 50.41 N ATOM 0 H LYS A 17 2.665 1.155 -12.592 1.00 30.14 H new ATOM 0 HA LYS A 17 4.275 0.814 -10.101 1.00 41.44 H new ATOM 0 HB2 LYS A 17 5.249 2.030 -12.208 1.00 62.32 H new ATOM 0 HB3 LYS A 17 4.211 3.343 -11.690 1.00 62.32 H new ATOM 0 HG2 LYS A 17 5.565 2.262 -9.363 1.00 14.14 H new ATOM 0 HG3 LYS A 17 6.758 2.573 -10.608 1.00 14.14 H new ATOM 0 HD2 LYS A 17 4.801 4.763 -10.422 1.00 1.11 H new ATOM 0 HD3 LYS A 17 5.594 4.480 -8.885 1.00 1.11 H new ATOM 0 HE2 LYS A 17 7.449 4.427 -11.206 1.00 11.51 H new ATOM 0 HE3 LYS A 17 6.650 5.971 -10.982 1.00 11.51 H new ATOM 0 HZ1 LYS A 17 8.769 5.678 -9.730 1.00 50.41 H new ATOM 0 HZ2 LYS A 17 7.441 6.116 -8.766 1.00 50.41 H new ATOM 0 HZ3 LYS A 17 7.993 4.510 -8.772 1.00 50.41 H new ATOM 248 N VAL A 18 2.912 2.629 -8.872 1.00 52.35 N ATOM 249 CA VAL A 18 1.920 3.272 -8.028 1.00 24.34 C ATOM 250 C VAL A 18 2.300 4.740 -7.828 1.00 45.10 C ATOM 251 O VAL A 18 3.004 5.079 -6.877 1.00 33.20 O ATOM 252 CB VAL A 18 1.780 2.506 -6.710 1.00 74.11 C ATOM 253 CG1 VAL A 18 1.031 3.340 -5.669 1.00 53.43 C ATOM 254 CG2 VAL A 18 1.091 1.157 -6.931 1.00 10.21 C ATOM 0 H VAL A 18 3.862 2.645 -8.501 1.00 52.35 H new ATOM 0 HA VAL A 18 0.941 3.253 -8.507 1.00 24.34 H new ATOM 0 HB VAL A 18 2.782 2.312 -6.326 1.00 74.11 H new ATOM 0 HG11 VAL A 18 0.945 2.773 -4.742 1.00 53.43 H new ATOM 0 HG12 VAL A 18 1.579 4.263 -5.480 1.00 53.43 H new ATOM 0 HG13 VAL A 18 0.035 3.579 -6.042 1.00 53.43 H new ATOM 0 HG21 VAL A 18 1.004 0.633 -5.979 1.00 10.21 H new ATOM 0 HG22 VAL A 18 0.097 1.320 -7.348 1.00 10.21 H new ATOM 0 HG23 VAL A 18 1.681 0.556 -7.623 1.00 10.21 H new ATOM 264 N LEU A 19 1.819 5.573 -8.739 1.00 74.44 N ATOM 265 CA LEU A 19 2.100 6.996 -8.675 1.00 1.54 C ATOM 266 C LEU A 19 1.361 7.605 -7.481 1.00 62.53 C ATOM 267 O LEU A 19 1.900 8.464 -6.785 1.00 71.54 O ATOM 268 CB LEU A 19 1.770 7.668 -10.009 1.00 45.43 C ATOM 269 CG LEU A 19 2.730 8.771 -10.461 1.00 12.23 C ATOM 270 CD1 LEU A 19 2.706 9.951 -9.486 1.00 23.22 C ATOM 271 CD2 LEU A 19 4.143 8.221 -10.660 1.00 24.42 C ATOM 0 H LEU A 19 1.236 5.289 -9.526 1.00 74.44 H new ATOM 0 HA LEU A 19 3.164 7.166 -8.513 1.00 1.54 H new ATOM 0 HB2 LEU A 19 1.740 6.900 -10.782 1.00 45.43 H new ATOM 0 HB3 LEU A 19 0.768 8.091 -9.942 1.00 45.43 H new ATOM 0 HG LEU A 19 2.391 9.144 -11.428 1.00 12.23 H new ATOM 0 HD11 LEU A 19 3.397 10.721 -9.830 1.00 23.22 H new ATOM 0 HD12 LEU A 19 1.698 10.363 -9.438 1.00 23.22 H new ATOM 0 HD13 LEU A 19 3.006 9.610 -8.495 1.00 23.22 H new ATOM 0 HD21 LEU A 19 4.805 9.025 -10.981 1.00 24.42 H new ATOM 0 HD22 LEU A 19 4.507 7.805 -9.721 1.00 24.42 H new ATOM 0 HD23 LEU A 19 4.126 7.440 -11.420 1.00 24.42 H new ATOM 283 N GLU A 20 0.138 7.135 -7.281 1.00 70.30 N ATOM 284 CA GLU A 20 -0.680 7.621 -6.183 1.00 41.35 C ATOM 285 C GLU A 20 -1.479 6.471 -5.566 1.00 4.22 C ATOM 286 O GLU A 20 -2.364 5.910 -6.209 1.00 20.33 O ATOM 287 CB GLU A 20 -1.608 8.745 -6.647 1.00 71.34 C ATOM 288 CG GLU A 20 -2.791 8.908 -5.693 1.00 14.45 C ATOM 289 CD GLU A 20 -2.322 9.368 -4.311 1.00 55.21 C ATOM 290 OE1 GLU A 20 -1.354 10.137 -4.209 1.00 32.33 O ATOM 291 OE2 GLU A 20 -3.002 8.900 -3.320 1.00 62.25 O ATOM 0 H GLU A 20 -0.306 6.423 -7.861 1.00 70.30 H new ATOM 0 HA GLU A 20 -0.020 8.031 -5.418 1.00 41.35 H new ATOM 0 HB2 GLU A 20 -1.051 9.680 -6.705 1.00 71.34 H new ATOM 0 HB3 GLU A 20 -1.973 8.529 -7.651 1.00 71.34 H new ATOM 0 HG2 GLU A 20 -3.495 9.633 -6.102 1.00 14.45 H new ATOM 0 HG3 GLU A 20 -3.324 7.961 -5.604 1.00 14.45 H new ATOM 298 N GLU A 21 -1.135 6.153 -4.326 1.00 52.30 N ATOM 299 CA GLU A 21 -1.809 5.081 -3.615 1.00 70.01 C ATOM 300 C GLU A 21 -3.323 5.301 -3.634 1.00 31.45 C ATOM 301 O GLU A 21 -3.789 6.433 -3.746 1.00 64.34 O ATOM 302 CB GLU A 21 -1.289 4.962 -2.181 1.00 54.50 C ATOM 303 CG GLU A 21 -1.684 6.187 -1.351 1.00 53.25 C ATOM 304 CD GLU A 21 -0.559 6.589 -0.397 1.00 1.11 C ATOM 305 OE1 GLU A 21 -0.289 5.874 0.579 1.00 24.51 O ATOM 306 OE2 GLU A 21 0.046 7.688 -0.699 1.00 74.42 O ATOM 0 H GLU A 21 -0.398 6.619 -3.796 1.00 52.30 H new ATOM 0 HA GLU A 21 -1.592 4.142 -4.123 1.00 70.01 H new ATOM 0 HB2 GLU A 21 -1.690 4.060 -1.719 1.00 54.50 H new ATOM 0 HB3 GLU A 21 -0.204 4.860 -2.191 1.00 54.50 H new ATOM 0 HG2 GLU A 21 -1.918 7.020 -2.014 1.00 53.25 H new ATOM 0 HG3 GLU A 21 -2.588 5.969 -0.782 1.00 53.25 H new ATOM 313 N GLY A 22 -4.050 4.198 -3.519 1.00 50.51 N ATOM 314 CA GLY A 22 -5.502 4.256 -3.521 1.00 42.41 C ATOM 315 C GLY A 22 -6.074 3.710 -2.211 1.00 54.02 C ATOM 316 O GLY A 22 -5.362 3.605 -1.214 1.00 45.42 O ATOM 0 H GLY A 22 -3.660 3.260 -3.424 1.00 50.51 H new ATOM 0 HA2 GLY A 22 -5.828 5.286 -3.663 1.00 42.41 H new ATOM 0 HA3 GLY A 22 -5.891 3.680 -4.360 1.00 42.41 H new ATOM 320 N GLY A 23 -7.357 3.378 -2.256 1.00 5.32 N ATOM 321 CA GLY A 23 -8.032 2.846 -1.086 1.00 34.05 C ATOM 322 C GLY A 23 -8.052 1.316 -1.111 1.00 5.11 C ATOM 323 O GLY A 23 -7.830 0.671 -0.087 1.00 53.23 O ATOM 0 H GLY A 23 -7.945 3.468 -3.084 1.00 5.32 H new ATOM 0 HA2 GLY A 23 -7.529 3.192 -0.183 1.00 34.05 H new ATOM 0 HA3 GLY A 23 -9.053 3.226 -1.047 1.00 34.05 H new ATOM 327 N GLY A 24 -8.318 0.779 -2.294 1.00 5.33 N ATOM 328 CA GLY A 24 -8.368 -0.663 -2.466 1.00 2.12 C ATOM 329 C GLY A 24 -7.037 -1.199 -2.996 1.00 44.32 C ATOM 330 O GLY A 24 -6.052 -0.465 -3.066 1.00 1.54 O ATOM 0 H GLY A 24 -8.501 1.317 -3.141 1.00 5.33 H new ATOM 0 HA2 GLY A 24 -8.602 -1.138 -1.513 1.00 2.12 H new ATOM 0 HA3 GLY A 24 -9.170 -0.923 -3.157 1.00 2.12 H new ATOM 334 N THR A 25 -7.050 -2.473 -3.356 1.00 74.33 N ATOM 335 CA THR A 25 -5.856 -3.116 -3.878 1.00 41.32 C ATOM 336 C THR A 25 -5.948 -3.258 -5.398 1.00 62.15 C ATOM 337 O THR A 25 -7.043 -3.298 -5.957 1.00 43.42 O ATOM 338 CB THR A 25 -5.682 -4.452 -3.153 1.00 11.34 C ATOM 339 OG1 THR A 25 -4.345 -4.841 -3.456 1.00 55.43 O ATOM 340 CG2 THR A 25 -6.540 -5.563 -3.758 1.00 35.24 C ATOM 0 H THR A 25 -7.869 -3.078 -3.297 1.00 74.33 H new ATOM 0 HA THR A 25 -4.969 -2.511 -3.692 1.00 41.32 H new ATOM 0 HB THR A 25 -5.938 -4.329 -2.101 1.00 11.34 H new ATOM 0 HG1 THR A 25 -4.148 -5.698 -3.023 1.00 55.43 H new ATOM 0 HG21 THR A 25 -6.378 -6.489 -3.206 1.00 35.24 H new ATOM 0 HG22 THR A 25 -7.592 -5.284 -3.698 1.00 35.24 H new ATOM 0 HG23 THR A 25 -6.262 -5.710 -4.802 1.00 35.24 H new ATOM 348 N LEU A 26 -4.782 -3.332 -6.026 1.00 31.14 N ATOM 349 CA LEU A 26 -4.717 -3.470 -7.471 1.00 14.34 C ATOM 350 C LEU A 26 -4.989 -4.926 -7.853 1.00 63.10 C ATOM 351 O LEU A 26 -4.193 -5.811 -7.543 1.00 0.32 O ATOM 352 CB LEU A 26 -3.387 -2.932 -8.001 1.00 14.23 C ATOM 353 CG LEU A 26 -2.884 -1.637 -7.361 1.00 10.32 C ATOM 354 CD1 LEU A 26 -1.459 -1.317 -7.816 1.00 51.22 C ATOM 355 CD2 LEU A 26 -3.847 -0.479 -7.636 1.00 0.02 C ATOM 0 H LEU A 26 -3.875 -3.299 -5.560 1.00 31.14 H new ATOM 0 HA LEU A 26 -5.490 -2.867 -7.947 1.00 14.34 H new ATOM 0 HB2 LEU A 26 -2.627 -3.701 -7.864 1.00 14.23 H new ATOM 0 HB3 LEU A 26 -3.486 -2.769 -9.074 1.00 14.23 H new ATOM 0 HG LEU A 26 -2.852 -1.780 -6.281 1.00 10.32 H new ATOM 0 HD11 LEU A 26 -1.126 -0.392 -7.346 1.00 51.22 H new ATOM 0 HD12 LEU A 26 -0.793 -2.130 -7.527 1.00 51.22 H new ATOM 0 HD13 LEU A 26 -1.441 -1.201 -8.900 1.00 51.22 H new ATOM 0 HD21 LEU A 26 -3.466 0.430 -7.170 1.00 0.02 H new ATOM 0 HD22 LEU A 26 -3.934 -0.326 -8.712 1.00 0.02 H new ATOM 0 HD23 LEU A 26 -4.827 -0.715 -7.222 1.00 0.02 H new ATOM 367 N VAL A 27 -6.114 -5.129 -8.521 1.00 34.03 N ATOM 368 CA VAL A 27 -6.501 -6.464 -8.949 1.00 4.32 C ATOM 369 C VAL A 27 -6.148 -6.642 -10.427 1.00 15.31 C ATOM 370 O VAL A 27 -6.244 -5.698 -11.209 1.00 44.44 O ATOM 371 CB VAL A 27 -7.984 -6.699 -8.654 1.00 4.31 C ATOM 372 CG1 VAL A 27 -8.565 -7.762 -9.587 1.00 33.41 C ATOM 373 CG2 VAL A 27 -8.197 -7.080 -7.188 1.00 15.14 C ATOM 0 H VAL A 27 -6.771 -4.392 -8.777 1.00 34.03 H new ATOM 0 HA VAL A 27 -5.950 -7.220 -8.390 1.00 4.32 H new ATOM 0 HB VAL A 27 -8.515 -5.765 -8.838 1.00 4.31 H new ATOM 0 HG11 VAL A 27 -9.620 -7.911 -9.357 1.00 33.41 H new ATOM 0 HG12 VAL A 27 -8.462 -7.434 -10.621 1.00 33.41 H new ATOM 0 HG13 VAL A 27 -8.028 -8.700 -9.449 1.00 33.41 H new ATOM 0 HG21 VAL A 27 -9.259 -7.241 -7.005 1.00 15.14 H new ATOM 0 HG22 VAL A 27 -7.647 -7.995 -6.966 1.00 15.14 H new ATOM 0 HG23 VAL A 27 -7.836 -6.276 -6.547 1.00 15.14 H new ATOM 383 N CYS A 28 -5.750 -7.859 -10.765 1.00 62.10 N ATOM 384 CA CYS A 28 -5.384 -8.174 -12.135 1.00 10.22 C ATOM 385 C CYS A 28 -5.637 -9.664 -12.370 1.00 43.52 C ATOM 386 O CYS A 28 -5.235 -10.500 -11.563 1.00 53.12 O ATOM 387 CB CYS A 28 -3.934 -7.786 -12.436 1.00 71.14 C ATOM 388 SG CYS A 28 -3.504 -7.745 -14.214 1.00 55.54 S ATOM 0 H CYS A 28 -5.673 -8.640 -10.113 1.00 62.10 H new ATOM 0 HA CYS A 28 -5.997 -7.591 -12.822 1.00 10.22 H new ATOM 0 HB2 CYS A 28 -3.739 -6.803 -12.007 1.00 71.14 H new ATOM 0 HB3 CYS A 28 -3.272 -8.491 -11.933 1.00 71.14 H new ATOM 0 HG CYS A 28 -2.441 -8.465 -14.420 1.00 55.54 H new ATOM 393 N CYS A 29 -6.301 -9.950 -13.481 1.00 32.45 N ATOM 394 CA CYS A 29 -6.613 -11.326 -13.832 1.00 13.43 C ATOM 395 C CYS A 29 -7.378 -11.957 -12.667 1.00 74.22 C ATOM 396 O CYS A 29 -6.959 -12.979 -12.126 1.00 60.43 O ATOM 397 CB CYS A 29 -5.353 -12.118 -14.184 1.00 60.42 C ATOM 398 SG CYS A 29 -4.323 -11.377 -15.502 1.00 61.20 S ATOM 0 H CYS A 29 -6.631 -9.254 -14.149 1.00 32.45 H new ATOM 0 HA CYS A 29 -7.236 -11.345 -14.726 1.00 13.43 H new ATOM 0 HB2 CYS A 29 -4.746 -12.226 -13.285 1.00 60.42 H new ATOM 0 HB3 CYS A 29 -5.646 -13.121 -14.493 1.00 60.42 H new ATOM 0 HG CYS A 29 -3.981 -10.170 -15.159 1.00 61.20 H new ATOM 403 N GLY A 30 -8.488 -11.323 -12.316 1.00 65.02 N ATOM 404 CA GLY A 30 -9.315 -11.811 -11.226 1.00 2.01 C ATOM 405 C GLY A 30 -8.460 -12.191 -10.016 1.00 25.23 C ATOM 406 O GLY A 30 -8.868 -13.011 -9.196 1.00 65.40 O ATOM 0 H GLY A 30 -8.833 -10.476 -12.767 1.00 65.02 H new ATOM 0 HA2 GLY A 30 -10.035 -11.045 -10.940 1.00 2.01 H new ATOM 0 HA3 GLY A 30 -9.887 -12.678 -11.558 1.00 2.01 H new ATOM 410 N GLU A 31 -7.289 -11.575 -9.943 1.00 44.22 N ATOM 411 CA GLU A 31 -6.372 -11.838 -8.846 1.00 54.11 C ATOM 412 C GLU A 31 -5.960 -10.528 -8.173 1.00 3.01 C ATOM 413 O GLU A 31 -6.501 -9.469 -8.484 1.00 54.34 O ATOM 414 CB GLU A 31 -5.145 -12.615 -9.331 1.00 53.40 C ATOM 415 CG GLU A 31 -5.219 -14.081 -8.899 1.00 21.12 C ATOM 416 CD GLU A 31 -4.093 -14.420 -7.919 1.00 72.12 C ATOM 417 OE1 GLU A 31 -3.096 -13.687 -7.843 1.00 10.03 O ATOM 418 OE2 GLU A 31 -4.283 -15.488 -7.221 1.00 43.23 O ATOM 0 H GLU A 31 -6.954 -10.895 -10.625 1.00 44.22 H new ATOM 0 HA GLU A 31 -6.885 -12.456 -8.110 1.00 54.11 H new ATOM 0 HB2 GLU A 31 -5.078 -12.555 -10.417 1.00 53.40 H new ATOM 0 HB3 GLU A 31 -4.240 -12.159 -8.930 1.00 53.40 H new ATOM 0 HG2 GLU A 31 -6.184 -14.278 -8.432 1.00 21.12 H new ATOM 0 HG3 GLU A 31 -5.151 -14.726 -9.775 1.00 21.12 H new ATOM 425 N ASP A 32 -5.006 -10.643 -7.261 1.00 33.12 N ATOM 426 CA ASP A 32 -4.515 -9.480 -6.541 1.00 22.54 C ATOM 427 C ASP A 32 -3.041 -9.256 -6.886 1.00 21.24 C ATOM 428 O ASP A 32 -2.171 -9.977 -6.401 1.00 4.14 O ATOM 429 CB ASP A 32 -4.621 -9.685 -5.027 1.00 63.13 C ATOM 430 CG ASP A 32 -3.948 -10.953 -4.498 1.00 43.43 C ATOM 431 OD1 ASP A 32 -3.994 -12.015 -5.137 1.00 14.25 O ATOM 432 OD2 ASP A 32 -3.349 -10.819 -3.363 1.00 54.11 O ATOM 0 H ASP A 32 -4.560 -11.524 -7.004 1.00 33.12 H new ATOM 0 HA ASP A 32 -5.121 -8.622 -6.833 1.00 22.54 H new ATOM 0 HB2 ASP A 32 -4.181 -8.822 -4.527 1.00 63.13 H new ATOM 0 HB3 ASP A 32 -5.675 -9.709 -4.752 1.00 63.13 H new ATOM 437 N MET A 33 -2.808 -8.255 -7.720 1.00 70.14 N ATOM 438 CA MET A 33 -1.454 -7.927 -8.136 1.00 35.04 C ATOM 439 C MET A 33 -0.470 -8.087 -6.975 1.00 75.44 C ATOM 440 O MET A 33 -0.859 -8.004 -5.812 1.00 15.12 O ATOM 441 CB MET A 33 -1.413 -6.485 -8.646 1.00 64.34 C ATOM 442 CG MET A 33 -1.830 -6.411 -10.117 1.00 24.13 C ATOM 443 SD MET A 33 -2.915 -5.018 -10.374 1.00 33.32 S ATOM 444 CE MET A 33 -1.708 -3.718 -10.573 1.00 51.15 C ATOM 0 H MET A 33 -3.533 -7.659 -8.120 1.00 70.14 H new ATOM 0 HA MET A 33 -1.162 -8.612 -8.932 1.00 35.04 H new ATOM 0 HB2 MET A 33 -2.077 -5.864 -8.045 1.00 64.34 H new ATOM 0 HB3 MET A 33 -0.407 -6.083 -8.529 1.00 64.34 H new ATOM 0 HG2 MET A 33 -0.947 -6.317 -10.749 1.00 24.13 H new ATOM 0 HG3 MET A 33 -2.333 -7.333 -10.408 1.00 24.13 H new ATOM 0 HE1 MET A 33 -2.213 -2.792 -10.849 1.00 51.15 H new ATOM 0 HE2 MET A 33 -1.171 -3.573 -9.635 1.00 51.15 H new ATOM 0 HE3 MET A 33 -1.002 -3.994 -11.356 1.00 51.15 H new ATOM 454 N VAL A 34 0.785 -8.314 -7.333 1.00 73.04 N ATOM 455 CA VAL A 34 1.827 -8.487 -6.336 1.00 43.23 C ATOM 456 C VAL A 34 2.721 -7.245 -6.319 1.00 21.21 C ATOM 457 O VAL A 34 2.695 -6.444 -7.252 1.00 61.42 O ATOM 458 CB VAL A 34 2.602 -9.778 -6.607 1.00 42.44 C ATOM 459 CG1 VAL A 34 3.420 -10.194 -5.382 1.00 73.33 C ATOM 460 CG2 VAL A 34 1.660 -10.901 -7.046 1.00 3.31 C ATOM 0 H VAL A 34 1.104 -8.382 -8.300 1.00 73.04 H new ATOM 0 HA VAL A 34 1.392 -8.588 -5.342 1.00 43.23 H new ATOM 0 HB VAL A 34 3.298 -9.586 -7.424 1.00 42.44 H new ATOM 0 HG11 VAL A 34 3.961 -11.114 -5.601 1.00 73.33 H new ATOM 0 HG12 VAL A 34 4.131 -9.406 -5.134 1.00 73.33 H new ATOM 0 HG13 VAL A 34 2.752 -10.359 -4.537 1.00 73.33 H new ATOM 0 HG21 VAL A 34 2.236 -11.807 -7.232 1.00 3.31 H new ATOM 0 HG22 VAL A 34 0.929 -11.091 -6.260 1.00 3.31 H new ATOM 0 HG23 VAL A 34 1.143 -10.606 -7.959 1.00 3.31 H new ATOM 470 N LYS A 35 3.491 -7.125 -5.248 1.00 2.54 N ATOM 471 CA LYS A 35 4.392 -5.995 -5.096 1.00 51.52 C ATOM 472 C LYS A 35 5.829 -6.504 -4.980 1.00 64.15 C ATOM 473 O LYS A 35 6.092 -7.474 -4.270 1.00 4.41 O ATOM 474 CB LYS A 35 3.955 -5.114 -3.923 1.00 61.15 C ATOM 475 CG LYS A 35 5.097 -4.931 -2.921 1.00 74.10 C ATOM 476 CD LYS A 35 6.018 -3.786 -3.343 1.00 42.34 C ATOM 477 CE LYS A 35 6.957 -3.388 -2.203 1.00 11.22 C ATOM 478 NZ LYS A 35 6.639 -2.024 -1.721 1.00 63.24 N ATOM 0 H LYS A 35 3.510 -7.792 -4.476 1.00 2.54 H new ATOM 0 HA LYS A 35 4.351 -5.355 -5.978 1.00 51.52 H new ATOM 0 HB2 LYS A 35 3.633 -4.141 -4.294 1.00 61.15 H new ATOM 0 HB3 LYS A 35 3.097 -5.565 -3.424 1.00 61.15 H new ATOM 0 HG2 LYS A 35 4.688 -4.728 -1.931 1.00 74.10 H new ATOM 0 HG3 LYS A 35 5.671 -5.855 -2.845 1.00 74.10 H new ATOM 0 HD2 LYS A 35 6.603 -4.087 -4.212 1.00 42.34 H new ATOM 0 HD3 LYS A 35 5.420 -2.926 -3.643 1.00 42.34 H new ATOM 0 HE2 LYS A 35 6.865 -4.100 -1.383 1.00 11.22 H new ATOM 0 HE3 LYS A 35 7.991 -3.427 -2.545 1.00 11.22 H new ATOM 0 HZ1 LYS A 35 7.165 -1.834 -0.844 1.00 63.24 H new ATOM 0 HZ2 LYS A 35 6.909 -1.328 -2.445 1.00 63.24 H new ATOM 0 HZ3 LYS A 35 5.618 -1.951 -1.535 1.00 63.24 H new ATOM 491 N GLN A 36 6.722 -5.829 -5.689 1.00 30.32 N ATOM 492 CA GLN A 36 8.127 -6.202 -5.674 1.00 54.13 C ATOM 493 C GLN A 36 8.786 -5.734 -4.377 1.00 4.24 C ATOM 494 O GLN A 36 8.101 -5.434 -3.400 1.00 63.41 O ATOM 495 CB GLN A 36 8.856 -5.639 -6.895 1.00 51.42 C ATOM 496 CG GLN A 36 8.017 -5.809 -8.164 1.00 33.12 C ATOM 497 CD GLN A 36 8.022 -7.266 -8.632 1.00 13.12 C ATOM 498 OE1 GLN A 36 9.028 -7.801 -9.067 1.00 62.34 O ATOM 499 NE2 GLN A 36 6.845 -7.874 -8.519 1.00 72.30 N ATOM 0 H GLN A 36 6.500 -5.026 -6.278 1.00 30.32 H new ATOM 0 HA GLN A 36 8.195 -7.289 -5.721 1.00 54.13 H new ATOM 0 HB2 GLN A 36 9.073 -4.583 -6.738 1.00 51.42 H new ATOM 0 HB3 GLN A 36 9.813 -6.146 -7.017 1.00 51.42 H new ATOM 0 HG2 GLN A 36 6.993 -5.488 -7.973 1.00 33.12 H new ATOM 0 HG3 GLN A 36 8.410 -5.168 -8.953 1.00 33.12 H new ATOM 0 HE21 GLN A 36 6.043 -7.367 -8.146 1.00 72.30 H new ATOM 0 HE22 GLN A 36 6.744 -8.848 -8.805 1.00 72.30 H new ATOM 548 N GLY B 4 4.513 2.259 -20.877 1.00 53.15 N ATOM 549 CA GLY B 4 4.733 3.658 -20.553 1.00 2.14 C ATOM 550 C GLY B 4 3.405 4.401 -20.397 1.00 33.21 C ATOM 551 O GLY B 4 3.374 5.631 -20.385 1.00 41.21 O ATOM 0 HA2 GLY B 4 5.307 3.735 -19.630 1.00 2.14 H new ATOM 0 HA3 GLY B 4 5.326 4.128 -21.338 1.00 2.14 H new ATOM 555 N ASP B 5 2.338 3.624 -20.281 1.00 22.21 N ATOM 556 CA ASP B 5 1.010 4.192 -20.127 1.00 63.32 C ATOM 557 C ASP B 5 0.722 4.407 -18.640 1.00 11.12 C ATOM 558 O ASP B 5 1.267 3.705 -17.790 1.00 4.02 O ATOM 559 CB ASP B 5 -0.060 3.252 -20.685 1.00 21.34 C ATOM 560 CG ASP B 5 -0.413 3.473 -22.156 1.00 11.22 C ATOM 561 OD1 ASP B 5 0.541 3.955 -22.879 1.00 63.02 O ATOM 562 OD2 ASP B 5 -1.542 3.200 -22.590 1.00 51.35 O ATOM 0 H ASP B 5 2.367 2.604 -20.291 1.00 22.21 H new ATOM 0 HA ASP B 5 0.981 5.135 -20.673 1.00 63.32 H new ATOM 0 HB2 ASP B 5 0.280 2.224 -20.559 1.00 21.34 H new ATOM 0 HB3 ASP B 5 -0.966 3.363 -20.089 1.00 21.34 H new ATOM 567 N VAL B 6 -0.135 5.381 -18.370 1.00 51.34 N ATOM 568 CA VAL B 6 -0.503 5.698 -17.001 1.00 3.41 C ATOM 569 C VAL B 6 -2.021 5.588 -16.846 1.00 61.20 C ATOM 570 O VAL B 6 -2.770 6.005 -17.728 1.00 3.02 O ATOM 571 CB VAL B 6 0.040 7.077 -16.620 1.00 32.11 C ATOM 572 CG1 VAL B 6 -0.722 7.654 -15.425 1.00 12.42 C ATOM 573 CG2 VAL B 6 1.542 7.016 -16.335 1.00 55.14 C ATOM 0 H VAL B 6 -0.585 5.962 -19.077 1.00 51.34 H new ATOM 0 HA VAL B 6 -0.055 4.985 -16.310 1.00 3.41 H new ATOM 0 HB VAL B 6 -0.112 7.744 -17.469 1.00 32.11 H new ATOM 0 HG11 VAL B 6 -0.317 8.634 -15.174 1.00 12.42 H new ATOM 0 HG12 VAL B 6 -1.777 7.752 -15.679 1.00 12.42 H new ATOM 0 HG13 VAL B 6 -0.615 6.987 -14.569 1.00 12.42 H new ATOM 0 HG21 VAL B 6 1.902 8.009 -16.067 1.00 55.14 H new ATOM 0 HG22 VAL B 6 1.728 6.328 -15.511 1.00 55.14 H new ATOM 0 HG23 VAL B 6 2.067 6.668 -17.224 1.00 55.14 H new ATOM 583 N TYR B 7 -2.429 5.025 -15.719 1.00 23.24 N ATOM 584 CA TYR B 7 -3.844 4.855 -15.437 1.00 2.11 C ATOM 585 C TYR B 7 -4.212 5.471 -14.086 1.00 4.34 C ATOM 586 O TYR B 7 -3.507 5.274 -13.097 1.00 43.15 O ATOM 587 CB TYR B 7 -4.084 3.345 -15.378 1.00 44.53 C ATOM 588 CG TYR B 7 -4.454 2.721 -16.725 1.00 42.54 C ATOM 589 CD1 TYR B 7 -3.589 2.827 -17.795 1.00 74.34 C ATOM 590 CD2 TYR B 7 -5.652 2.053 -16.870 1.00 74.44 C ATOM 591 CE1 TYR B 7 -3.937 2.240 -19.063 1.00 23.24 C ATOM 592 CE2 TYR B 7 -6.000 1.465 -18.138 1.00 20.24 C ATOM 593 CZ TYR B 7 -5.125 1.588 -19.172 1.00 33.22 C ATOM 594 OH TYR B 7 -5.454 1.033 -20.369 1.00 70.04 O ATOM 0 H TYR B 7 -1.804 4.680 -14.990 1.00 23.24 H new ATOM 0 HA TYR B 7 -4.449 5.345 -16.200 1.00 2.11 H new ATOM 0 HB2 TYR B 7 -3.185 2.859 -14.999 1.00 44.53 H new ATOM 0 HB3 TYR B 7 -4.882 3.142 -14.664 1.00 44.53 H new ATOM 0 HD1 TYR B 7 -2.651 3.350 -17.681 1.00 74.34 H new ATOM 0 HD2 TYR B 7 -6.329 1.971 -16.033 1.00 74.44 H new ATOM 0 HE1 TYR B 7 -3.269 2.316 -19.908 1.00 23.24 H new ATOM 0 HE2 TYR B 7 -6.934 0.938 -18.265 1.00 20.24 H new ATOM 0 HH TYR B 7 -6.330 0.599 -20.299 1.00 70.04 H new ATOM 604 N LYS B 8 -5.316 6.204 -14.086 1.00 64.20 N ATOM 605 CA LYS B 8 -5.786 6.849 -12.872 1.00 45.22 C ATOM 606 C LYS B 8 -7.265 6.520 -12.664 1.00 75.32 C ATOM 607 O LYS B 8 -7.995 6.290 -13.627 1.00 54.15 O ATOM 608 CB LYS B 8 -5.490 8.350 -12.915 1.00 34.15 C ATOM 609 CG LYS B 8 -6.036 9.052 -11.670 1.00 31.23 C ATOM 610 CD LYS B 8 -5.926 10.572 -11.805 1.00 15.11 C ATOM 611 CE LYS B 8 -6.823 11.279 -10.786 1.00 11.25 C ATOM 612 NZ LYS B 8 -6.337 12.653 -10.534 1.00 4.41 N ATOM 0 H LYS B 8 -5.898 6.365 -14.908 1.00 64.20 H new ATOM 0 HA LYS B 8 -5.249 6.465 -12.004 1.00 45.22 H new ATOM 0 HB2 LYS B 8 -4.414 8.510 -12.985 1.00 34.15 H new ATOM 0 HB3 LYS B 8 -5.936 8.787 -13.808 1.00 34.15 H new ATOM 0 HG2 LYS B 8 -7.078 8.771 -11.518 1.00 31.23 H new ATOM 0 HG3 LYS B 8 -5.485 8.721 -10.790 1.00 31.23 H new ATOM 0 HD2 LYS B 8 -4.891 10.880 -11.659 1.00 15.11 H new ATOM 0 HD3 LYS B 8 -6.208 10.873 -12.814 1.00 15.11 H new ATOM 0 HE2 LYS B 8 -7.848 11.311 -11.156 1.00 11.25 H new ATOM 0 HE3 LYS B 8 -6.838 10.715 -9.853 1.00 11.25 H new ATOM 0 HZ1 LYS B 8 -6.957 13.119 -9.841 1.00 4.41 H new ATOM 0 HZ2 LYS B 8 -5.367 12.615 -10.161 1.00 4.41 H new ATOM 0 HZ3 LYS B 8 -6.345 13.193 -11.423 1.00 4.41 H new ATOM 625 N CYS B 9 -7.664 6.508 -11.400 1.00 53.14 N ATOM 626 CA CYS B 9 -9.043 6.210 -11.055 1.00 15.24 C ATOM 627 C CYS B 9 -9.815 7.530 -10.978 1.00 22.43 C ATOM 628 O CYS B 9 -9.223 8.605 -11.057 1.00 20.43 O ATOM 629 CB CYS B 9 -9.141 5.416 -9.750 1.00 72.15 C ATOM 630 SG CYS B 9 -10.725 4.530 -9.507 1.00 51.13 S ATOM 0 H CYS B 9 -7.056 6.700 -10.603 1.00 53.14 H new ATOM 0 HA CYS B 9 -9.484 5.576 -11.824 1.00 15.24 H new ATOM 0 HB2 CYS B 9 -8.327 4.691 -9.720 1.00 72.15 H new ATOM 0 HB3 CYS B 9 -8.991 6.099 -8.914 1.00 72.15 H new ATOM 0 HG CYS B 9 -10.501 3.251 -9.439 1.00 51.13 H new ATOM 635 N GLU B 10 -11.125 7.404 -10.825 1.00 41.14 N ATOM 636 CA GLU B 10 -11.983 8.573 -10.737 1.00 15.42 C ATOM 637 C GLU B 10 -12.733 8.582 -9.403 1.00 23.35 C ATOM 638 O GLU B 10 -13.579 9.443 -9.168 1.00 22.33 O ATOM 639 CB GLU B 10 -12.959 8.626 -11.914 1.00 53.10 C ATOM 640 CG GLU B 10 -12.210 8.638 -13.248 1.00 13.43 C ATOM 641 CD GLU B 10 -11.582 10.008 -13.511 1.00 1.33 C ATOM 642 OE1 GLU B 10 -10.923 10.570 -12.622 1.00 34.50 O ATOM 643 OE2 GLU B 10 -11.795 10.489 -14.688 1.00 54.41 O ATOM 0 H GLU B 10 -11.613 6.511 -10.760 1.00 41.14 H new ATOM 0 HA GLU B 10 -11.357 9.464 -10.786 1.00 15.42 H new ATOM 0 HB2 GLU B 10 -13.627 7.766 -11.876 1.00 53.10 H new ATOM 0 HB3 GLU B 10 -13.582 9.517 -11.835 1.00 53.10 H new ATOM 0 HG2 GLU B 10 -11.433 7.873 -13.240 1.00 13.43 H new ATOM 0 HG3 GLU B 10 -12.896 8.387 -14.057 1.00 13.43 H new ATOM 650 N LEU B 11 -12.394 7.614 -8.564 1.00 61.12 N ATOM 651 CA LEU B 11 -13.024 7.500 -7.259 1.00 44.02 C ATOM 652 C LEU B 11 -11.941 7.416 -6.181 1.00 74.14 C ATOM 653 O LEU B 11 -11.812 8.318 -5.355 1.00 3.40 O ATOM 654 CB LEU B 11 -14.005 6.326 -7.239 1.00 25.21 C ATOM 655 CG LEU B 11 -14.186 5.628 -5.890 1.00 32.35 C ATOM 656 CD1 LEU B 11 -15.104 6.437 -4.973 1.00 1.25 C ATOM 657 CD2 LEU B 11 -14.685 4.193 -6.079 1.00 42.20 C ATOM 0 H LEU B 11 -11.691 6.902 -8.762 1.00 61.12 H new ATOM 0 HA LEU B 11 -13.620 8.387 -7.044 1.00 44.02 H new ATOM 0 HB2 LEU B 11 -14.978 6.685 -7.573 1.00 25.21 H new ATOM 0 HB3 LEU B 11 -13.671 5.586 -7.967 1.00 25.21 H new ATOM 0 HG LEU B 11 -13.213 5.570 -5.402 1.00 32.35 H new ATOM 0 HD11 LEU B 11 -15.216 5.918 -4.021 1.00 1.25 H new ATOM 0 HD12 LEU B 11 -14.670 7.422 -4.801 1.00 1.25 H new ATOM 0 HD13 LEU B 11 -16.081 6.548 -5.443 1.00 1.25 H new ATOM 0 HD21 LEU B 11 -14.806 3.718 -5.105 1.00 42.20 H new ATOM 0 HD22 LEU B 11 -15.644 4.206 -6.597 1.00 42.20 H new ATOM 0 HD23 LEU B 11 -13.961 3.631 -6.669 1.00 42.20 H new ATOM 669 N CYS B 12 -11.192 6.324 -6.224 1.00 13.43 N ATOM 670 CA CYS B 12 -10.126 6.110 -5.261 1.00 4.34 C ATOM 671 C CYS B 12 -8.983 7.074 -5.588 1.00 24.55 C ATOM 672 O CYS B 12 -8.060 7.242 -4.791 1.00 33.12 O ATOM 673 CB CYS B 12 -9.658 4.654 -5.248 1.00 23.15 C ATOM 674 SG CYS B 12 -8.651 4.159 -6.693 1.00 61.33 S ATOM 0 H CYS B 12 -11.303 5.578 -6.911 1.00 13.43 H new ATOM 0 HA CYS B 12 -10.495 6.312 -4.256 1.00 4.34 H new ATOM 0 HB2 CYS B 12 -9.077 4.482 -4.342 1.00 23.15 H new ATOM 0 HB3 CYS B 12 -10.533 4.006 -5.194 1.00 23.15 H new ATOM 0 HG CYS B 12 -9.355 4.291 -7.778 1.00 61.33 H new ATOM 679 N GLY B 13 -9.081 7.682 -6.761 1.00 23.40 N ATOM 680 CA GLY B 13 -8.067 8.624 -7.203 1.00 24.40 C ATOM 681 C GLY B 13 -6.669 8.011 -7.104 1.00 3.45 C ATOM 682 O GLY B 13 -5.748 8.637 -6.580 1.00 1.51 O ATOM 0 H GLY B 13 -9.847 7.541 -7.419 1.00 23.40 H new ATOM 0 HA2 GLY B 13 -8.266 8.921 -8.233 1.00 24.40 H new ATOM 0 HA3 GLY B 13 -8.116 9.528 -6.596 1.00 24.40 H new ATOM 686 N GLN B 14 -6.553 6.794 -7.614 1.00 52.02 N ATOM 687 CA GLN B 14 -5.282 6.090 -7.589 1.00 51.05 C ATOM 688 C GLN B 14 -4.591 6.194 -8.950 1.00 11.11 C ATOM 689 O GLN B 14 -5.225 6.011 -9.988 1.00 71.52 O ATOM 690 CB GLN B 14 -5.474 4.628 -7.182 1.00 24.32 C ATOM 691 CG GLN B 14 -4.190 3.824 -7.402 1.00 1.24 C ATOM 692 CD GLN B 14 -3.900 2.915 -6.207 1.00 2.24 C ATOM 693 OE1 GLN B 14 -2.918 3.071 -5.498 1.00 54.53 O ATOM 694 NE2 GLN B 14 -4.806 1.959 -6.021 1.00 52.33 N ATOM 0 H GLN B 14 -7.318 6.277 -8.047 1.00 52.02 H new ATOM 0 HA GLN B 14 -4.643 6.560 -6.842 1.00 51.05 H new ATOM 0 HB2 GLN B 14 -5.766 4.574 -6.133 1.00 24.32 H new ATOM 0 HB3 GLN B 14 -6.286 4.189 -7.762 1.00 24.32 H new ATOM 0 HG2 GLN B 14 -4.284 3.223 -8.306 1.00 1.24 H new ATOM 0 HG3 GLN B 14 -3.353 4.505 -7.557 1.00 1.24 H new ATOM 0 HE21 GLN B 14 -5.605 1.884 -6.651 1.00 52.33 H new ATOM 0 HE22 GLN B 14 -4.702 1.301 -5.248 1.00 52.33 H new ATOM 703 N VAL B 15 -3.300 6.488 -8.902 1.00 21.35 N ATOM 704 CA VAL B 15 -2.516 6.618 -10.118 1.00 0.13 C ATOM 705 C VAL B 15 -1.481 5.492 -10.176 1.00 3.52 C ATOM 706 O VAL B 15 -0.806 5.213 -9.186 1.00 14.01 O ATOM 707 CB VAL B 15 -1.888 8.012 -10.188 1.00 52.23 C ATOM 708 CG1 VAL B 15 -1.168 8.222 -11.523 1.00 1.33 C ATOM 709 CG2 VAL B 15 -2.939 9.099 -9.955 1.00 30.00 C ATOM 0 H VAL B 15 -2.777 6.640 -8.039 1.00 21.35 H new ATOM 0 HA VAL B 15 -3.154 6.518 -10.996 1.00 0.13 H new ATOM 0 HB VAL B 15 -1.147 8.087 -9.392 1.00 52.23 H new ATOM 0 HG11 VAL B 15 -0.731 9.220 -11.547 1.00 1.33 H new ATOM 0 HG12 VAL B 15 -0.379 7.477 -11.632 1.00 1.33 H new ATOM 0 HG13 VAL B 15 -1.881 8.118 -12.341 1.00 1.33 H new ATOM 0 HG21 VAL B 15 -2.466 10.080 -10.010 1.00 30.00 H new ATOM 0 HG22 VAL B 15 -3.713 9.026 -10.719 1.00 30.00 H new ATOM 0 HG23 VAL B 15 -3.387 8.967 -8.970 1.00 30.00 H new ATOM 719 N VAL B 16 -1.388 4.878 -11.345 1.00 61.42 N ATOM 720 CA VAL B 16 -0.447 3.789 -11.546 1.00 35.34 C ATOM 721 C VAL B 16 0.136 3.877 -12.957 1.00 5.34 C ATOM 722 O VAL B 16 -0.408 4.571 -13.815 1.00 62.14 O ATOM 723 CB VAL B 16 -1.129 2.449 -11.264 1.00 34.31 C ATOM 724 CG1 VAL B 16 -1.425 2.287 -9.771 1.00 25.41 C ATOM 725 CG2 VAL B 16 -2.406 2.298 -12.094 1.00 32.01 C ATOM 0 H VAL B 16 -1.949 5.113 -12.164 1.00 61.42 H new ATOM 0 HA VAL B 16 0.384 3.870 -10.846 1.00 35.34 H new ATOM 0 HB VAL B 16 -0.442 1.656 -11.558 1.00 34.31 H new ATOM 0 HG11 VAL B 16 -1.910 1.326 -9.598 1.00 25.41 H new ATOM 0 HG12 VAL B 16 -0.492 2.329 -9.208 1.00 25.41 H new ATOM 0 HG13 VAL B 16 -2.084 3.090 -9.441 1.00 25.41 H new ATOM 0 HG21 VAL B 16 -2.871 1.337 -11.875 1.00 32.01 H new ATOM 0 HG22 VAL B 16 -3.099 3.102 -11.845 1.00 32.01 H new ATOM 0 HG23 VAL B 16 -2.159 2.348 -13.154 1.00 32.01 H new ATOM 735 N LYS B 17 1.236 3.164 -13.154 1.00 53.12 N ATOM 736 CA LYS B 17 1.899 3.154 -14.448 1.00 13.02 C ATOM 737 C LYS B 17 1.868 1.735 -15.020 1.00 0.24 C ATOM 738 O LYS B 17 1.542 0.784 -14.312 1.00 64.43 O ATOM 739 CB LYS B 17 3.307 3.740 -14.332 1.00 23.04 C ATOM 740 CG LYS B 17 3.655 4.578 -15.564 1.00 25.34 C ATOM 741 CD LYS B 17 5.109 4.356 -15.985 1.00 3.43 C ATOM 742 CE LYS B 17 5.838 5.690 -16.164 1.00 35.22 C ATOM 743 NZ LYS B 17 6.633 6.013 -14.958 1.00 54.03 N ATOM 0 H LYS B 17 1.684 2.590 -12.440 1.00 53.12 H new ATOM 0 HA LYS B 17 1.369 3.794 -15.154 1.00 13.02 H new ATOM 0 HB2 LYS B 17 3.375 4.358 -13.436 1.00 23.04 H new ATOM 0 HB3 LYS B 17 4.032 2.934 -14.219 1.00 23.04 H new ATOM 0 HG2 LYS B 17 2.990 4.315 -16.387 1.00 25.34 H new ATOM 0 HG3 LYS B 17 3.492 5.634 -15.348 1.00 25.34 H new ATOM 0 HD2 LYS B 17 5.621 3.756 -15.233 1.00 3.43 H new ATOM 0 HD3 LYS B 17 5.139 3.793 -16.918 1.00 3.43 H new ATOM 0 HE2 LYS B 17 6.492 5.640 -17.035 1.00 35.22 H new ATOM 0 HE3 LYS B 17 5.115 6.484 -16.353 1.00 35.22 H new ATOM 0 HZ1 LYS B 17 7.121 6.921 -15.097 1.00 54.03 H new ATOM 0 HZ2 LYS B 17 6.002 6.081 -14.134 1.00 54.03 H new ATOM 0 HZ3 LYS B 17 7.336 5.264 -14.795 1.00 54.03 H new ATOM 756 N VAL B 18 2.211 1.639 -16.296 1.00 22.32 N ATOM 757 CA VAL B 18 2.227 0.353 -16.971 1.00 63.54 C ATOM 758 C VAL B 18 3.621 0.102 -17.551 1.00 11.53 C ATOM 759 O VAL B 18 3.906 0.490 -18.683 1.00 33.04 O ATOM 760 CB VAL B 18 1.123 0.304 -18.030 1.00 14.12 C ATOM 761 CG1 VAL B 18 1.326 -0.878 -18.980 1.00 3.11 C ATOM 762 CG2 VAL B 18 -0.260 0.251 -17.377 1.00 12.12 C ATOM 0 H VAL B 18 2.480 2.431 -16.880 1.00 22.32 H new ATOM 0 HA VAL B 18 2.019 -0.451 -16.265 1.00 63.54 H new ATOM 0 HB VAL B 18 1.182 1.220 -18.618 1.00 14.12 H new ATOM 0 HG11 VAL B 18 0.528 -0.889 -19.722 1.00 3.11 H new ATOM 0 HG12 VAL B 18 2.288 -0.780 -19.483 1.00 3.11 H new ATOM 0 HG13 VAL B 18 1.307 -1.808 -18.412 1.00 3.11 H new ATOM 0 HG21 VAL B 18 -1.027 0.217 -18.151 1.00 12.12 H new ATOM 0 HG22 VAL B 18 -0.334 -0.640 -16.753 1.00 12.12 H new ATOM 0 HG23 VAL B 18 -0.406 1.138 -16.761 1.00 12.12 H new ATOM 772 N LEU B 19 4.454 -0.543 -16.747 1.00 31.31 N ATOM 773 CA LEU B 19 5.811 -0.849 -17.165 1.00 55.33 C ATOM 774 C LEU B 19 5.778 -1.965 -18.212 1.00 34.23 C ATOM 775 O LEU B 19 6.529 -1.930 -19.185 1.00 13.33 O ATOM 776 CB LEU B 19 6.686 -1.170 -15.951 1.00 13.11 C ATOM 777 CG LEU B 19 7.995 -0.386 -15.843 1.00 64.11 C ATOM 778 CD1 LEU B 19 7.899 0.696 -14.766 1.00 64.41 C ATOM 779 CD2 LEU B 19 9.179 -1.327 -15.607 1.00 35.05 C ATOM 0 H LEU B 19 4.215 -0.862 -15.808 1.00 31.31 H new ATOM 0 HA LEU B 19 6.269 0.019 -17.638 1.00 55.33 H new ATOM 0 HB2 LEU B 19 6.102 -0.989 -15.049 1.00 13.11 H new ATOM 0 HB3 LEU B 19 6.923 -2.234 -15.970 1.00 13.11 H new ATOM 0 HG LEU B 19 8.170 0.120 -16.792 1.00 64.11 H new ATOM 0 HD11 LEU B 19 8.843 1.238 -14.710 1.00 64.41 H new ATOM 0 HD12 LEU B 19 7.096 1.389 -15.017 1.00 64.41 H new ATOM 0 HD13 LEU B 19 7.689 0.232 -13.802 1.00 64.41 H new ATOM 0 HD21 LEU B 19 10.098 -0.745 -15.534 1.00 35.05 H new ATOM 0 HD22 LEU B 19 9.025 -1.880 -14.680 1.00 35.05 H new ATOM 0 HD23 LEU B 19 9.259 -2.027 -16.438 1.00 35.05 H new ATOM 791 N GLU B 20 4.900 -2.928 -17.975 1.00 75.11 N ATOM 792 CA GLU B 20 4.759 -4.052 -18.886 1.00 31.33 C ATOM 793 C GLU B 20 3.279 -4.353 -19.132 1.00 64.43 C ATOM 794 O GLU B 20 2.556 -4.726 -18.210 1.00 53.42 O ATOM 795 CB GLU B 20 5.488 -5.286 -18.350 1.00 13.34 C ATOM 796 CG GLU B 20 6.947 -5.304 -18.809 1.00 1.41 C ATOM 797 CD GLU B 20 7.899 -5.315 -17.611 1.00 13.11 C ATOM 798 OE1 GLU B 20 7.914 -4.358 -16.822 1.00 33.51 O ATOM 799 OE2 GLU B 20 8.641 -6.366 -17.514 1.00 24.13 O ATOM 0 H GLU B 20 4.279 -2.954 -17.166 1.00 75.11 H new ATOM 0 HA GLU B 20 5.218 -3.784 -19.838 1.00 31.33 H new ATOM 0 HB2 GLU B 20 5.446 -5.293 -17.261 1.00 13.34 H new ATOM 0 HB3 GLU B 20 4.984 -6.189 -18.694 1.00 13.34 H new ATOM 0 HG2 GLU B 20 7.126 -6.183 -19.428 1.00 1.41 H new ATOM 0 HG3 GLU B 20 7.148 -4.430 -19.429 1.00 1.41 H new ATOM 806 N GLU B 21 2.874 -4.181 -20.382 1.00 24.22 N ATOM 807 CA GLU B 21 1.494 -4.429 -20.762 1.00 33.54 C ATOM 808 C GLU B 21 0.961 -5.672 -20.044 1.00 4.34 C ATOM 809 O GLU B 21 1.737 -6.495 -19.561 1.00 61.54 O ATOM 810 CB GLU B 21 1.360 -4.574 -22.279 1.00 22.44 C ATOM 811 CG GLU B 21 1.692 -3.259 -22.986 1.00 12.43 C ATOM 812 CD GLU B 21 1.976 -3.491 -24.471 1.00 32.40 C ATOM 813 OE1 GLU B 21 1.278 -4.285 -25.118 1.00 42.14 O ATOM 814 OE2 GLU B 21 2.961 -2.811 -24.951 1.00 4.53 O ATOM 0 H GLU B 21 3.478 -3.873 -21.144 1.00 24.22 H new ATOM 0 HA GLU B 21 0.894 -3.571 -20.458 1.00 33.54 H new ATOM 0 HB2 GLU B 21 2.027 -5.360 -22.633 1.00 22.44 H new ATOM 0 HB3 GLU B 21 0.345 -4.880 -22.531 1.00 22.44 H new ATOM 0 HG2 GLU B 21 0.861 -2.563 -22.876 1.00 12.43 H new ATOM 0 HG3 GLU B 21 2.559 -2.797 -22.514 1.00 12.43 H new ATOM 821 N GLY B 22 -0.359 -5.767 -19.995 1.00 73.12 N ATOM 822 CA GLY B 22 -1.004 -6.895 -19.344 1.00 53.00 C ATOM 823 C GLY B 22 -2.278 -7.303 -20.089 1.00 4.13 C ATOM 824 O GLY B 22 -3.048 -6.448 -20.523 1.00 64.01 O ATOM 0 H GLY B 22 -1.000 -5.082 -20.395 1.00 73.12 H new ATOM 0 HA2 GLY B 22 -0.315 -7.739 -19.304 1.00 53.00 H new ATOM 0 HA3 GLY B 22 -1.248 -6.634 -18.314 1.00 53.00 H new ATOM 828 N GLY B 23 -2.458 -8.609 -20.214 1.00 31.33 N ATOM 829 CA GLY B 23 -3.625 -9.141 -20.899 1.00 21.44 C ATOM 830 C GLY B 23 -4.804 -9.294 -19.935 1.00 22.13 C ATOM 831 O GLY B 23 -5.414 -10.358 -19.860 1.00 74.54 O ATOM 0 H GLY B 23 -1.816 -9.315 -19.853 1.00 31.33 H new ATOM 0 HA2 GLY B 23 -3.904 -8.478 -21.718 1.00 21.44 H new ATOM 0 HA3 GLY B 23 -3.383 -10.108 -21.340 1.00 21.44 H new ATOM 835 N GLY B 24 -5.088 -8.214 -19.222 1.00 5.42 N ATOM 836 CA GLY B 24 -6.183 -8.214 -18.267 1.00 64.43 C ATOM 837 C GLY B 24 -6.670 -6.790 -17.990 1.00 45.21 C ATOM 838 O GLY B 24 -6.423 -5.882 -18.781 1.00 42.32 O ATOM 0 H GLY B 24 -4.579 -7.333 -19.287 1.00 5.42 H new ATOM 0 HA2 GLY B 24 -7.006 -8.815 -18.653 1.00 64.43 H new ATOM 0 HA3 GLY B 24 -5.858 -8.678 -17.336 1.00 64.43 H new ATOM 842 N THR B 25 -7.351 -6.640 -16.864 1.00 33.42 N ATOM 843 CA THR B 25 -7.874 -5.343 -16.472 1.00 55.13 C ATOM 844 C THR B 25 -7.274 -4.907 -15.134 1.00 60.44 C ATOM 845 O THR B 25 -7.075 -5.730 -14.242 1.00 41.10 O ATOM 846 CB THR B 25 -9.401 -5.435 -16.452 1.00 63.04 C ATOM 847 OG1 THR B 25 -9.767 -5.456 -17.830 1.00 43.21 O ATOM 848 CG2 THR B 25 -10.058 -4.164 -15.912 1.00 11.22 C ATOM 0 H THR B 25 -7.553 -7.396 -16.210 1.00 33.42 H new ATOM 0 HA THR B 25 -7.590 -4.570 -17.186 1.00 55.13 H new ATOM 0 HB THR B 25 -9.704 -6.287 -15.843 1.00 63.04 H new ATOM 0 HG1 THR B 25 -10.742 -5.516 -17.909 1.00 43.21 H new ATOM 0 HG21 THR B 25 -11.141 -4.283 -15.920 1.00 11.22 H new ATOM 0 HG22 THR B 25 -9.720 -3.985 -14.891 1.00 11.22 H new ATOM 0 HG23 THR B 25 -9.782 -3.317 -16.540 1.00 11.22 H new ATOM 856 N LEU B 26 -7.002 -3.614 -15.037 1.00 14.02 N ATOM 857 CA LEU B 26 -6.429 -3.059 -13.823 1.00 32.12 C ATOM 858 C LEU B 26 -7.555 -2.593 -12.899 1.00 35.24 C ATOM 859 O LEU B 26 -7.985 -1.442 -12.970 1.00 31.14 O ATOM 860 CB LEU B 26 -5.417 -1.962 -14.161 1.00 32.43 C ATOM 861 CG LEU B 26 -4.206 -2.399 -14.989 1.00 14.44 C ATOM 862 CD1 LEU B 26 -3.244 -1.231 -15.210 1.00 12.43 C ATOM 863 CD2 LEU B 26 -3.510 -3.601 -14.348 1.00 3.32 C ATOM 0 H LEU B 26 -7.168 -2.935 -15.780 1.00 14.02 H new ATOM 0 HA LEU B 26 -5.869 -3.822 -13.283 1.00 32.12 H new ATOM 0 HB2 LEU B 26 -5.936 -1.171 -14.702 1.00 32.43 H new ATOM 0 HB3 LEU B 26 -5.057 -1.527 -13.228 1.00 32.43 H new ATOM 0 HG LEU B 26 -4.559 -2.716 -15.970 1.00 14.44 H new ATOM 0 HD11 LEU B 26 -2.392 -1.568 -15.801 1.00 12.43 H new ATOM 0 HD12 LEU B 26 -3.760 -0.430 -15.740 1.00 12.43 H new ATOM 0 HD13 LEU B 26 -2.894 -0.861 -14.246 1.00 12.43 H new ATOM 0 HD21 LEU B 26 -2.653 -3.892 -14.956 1.00 3.32 H new ATOM 0 HD22 LEU B 26 -3.171 -3.334 -13.347 1.00 3.32 H new ATOM 0 HD23 LEU B 26 -4.209 -4.435 -14.284 1.00 3.32 H new ATOM 875 N VAL B 27 -8.002 -3.509 -12.053 1.00 31.41 N ATOM 876 CA VAL B 27 -9.070 -3.207 -11.116 1.00 33.22 C ATOM 877 C VAL B 27 -8.496 -2.437 -9.925 1.00 43.34 C ATOM 878 O VAL B 27 -7.317 -2.577 -9.600 1.00 72.15 O ATOM 879 CB VAL B 27 -9.786 -4.495 -10.705 1.00 23.33 C ATOM 880 CG1 VAL B 27 -10.376 -4.370 -9.298 1.00 50.42 C ATOM 881 CG2 VAL B 27 -10.867 -4.870 -11.721 1.00 51.00 C ATOM 0 H VAL B 27 -7.643 -4.462 -11.997 1.00 31.41 H new ATOM 0 HA VAL B 27 -9.819 -2.569 -11.585 1.00 33.22 H new ATOM 0 HB VAL B 27 -9.048 -5.297 -10.689 1.00 23.33 H new ATOM 0 HG11 VAL B 27 -10.879 -5.299 -9.031 1.00 50.42 H new ATOM 0 HG12 VAL B 27 -9.576 -4.172 -8.584 1.00 50.42 H new ATOM 0 HG13 VAL B 27 -11.093 -3.550 -9.276 1.00 50.42 H new ATOM 0 HG21 VAL B 27 -11.360 -5.789 -11.405 1.00 51.00 H new ATOM 0 HG22 VAL B 27 -11.601 -4.067 -11.784 1.00 51.00 H new ATOM 0 HG23 VAL B 27 -10.410 -5.021 -12.699 1.00 51.00 H new ATOM 891 N CYS B 28 -9.354 -1.639 -9.308 1.00 42.30 N ATOM 892 CA CYS B 28 -8.947 -0.846 -8.161 1.00 24.13 C ATOM 893 C CYS B 28 -10.206 -0.366 -7.436 1.00 5.15 C ATOM 894 O CYS B 28 -11.148 0.109 -8.068 1.00 64.11 O ATOM 895 CB CYS B 28 -8.045 0.320 -8.570 1.00 53.31 C ATOM 896 SG CYS B 28 -8.913 1.713 -9.382 1.00 23.24 S ATOM 0 H CYS B 28 -10.330 -1.524 -9.581 1.00 42.30 H new ATOM 0 HA CYS B 28 -8.352 -1.460 -7.485 1.00 24.13 H new ATOM 0 HB2 CYS B 28 -7.535 0.695 -7.683 1.00 53.31 H new ATOM 0 HB3 CYS B 28 -7.275 -0.054 -9.246 1.00 53.31 H new ATOM 0 HG CYS B 28 -8.943 2.734 -8.577 1.00 23.24 H new ATOM 901 N CYS B 29 -10.183 -0.508 -6.119 1.00 2.42 N ATOM 902 CA CYS B 29 -11.310 -0.096 -5.301 1.00 72.03 C ATOM 903 C CYS B 29 -12.589 -0.654 -5.930 1.00 1.33 C ATOM 904 O CYS B 29 -13.428 0.104 -6.415 1.00 33.11 O ATOM 905 CB CYS B 29 -11.369 1.425 -5.144 1.00 44.30 C ATOM 906 SG CYS B 29 -11.889 2.333 -6.645 1.00 44.32 S ATOM 0 H CYS B 29 -9.400 -0.903 -5.598 1.00 2.42 H new ATOM 0 HA CYS B 29 -11.197 -0.496 -4.293 1.00 72.03 H new ATOM 0 HB2 CYS B 29 -12.058 1.666 -4.334 1.00 44.30 H new ATOM 0 HB3 CYS B 29 -10.385 1.783 -4.843 1.00 44.30 H new ATOM 0 HG CYS B 29 -11.507 1.680 -7.702 1.00 44.32 H new ATOM 911 N GLY B 30 -12.696 -1.973 -5.902 1.00 34.31 N ATOM 912 CA GLY B 30 -13.858 -2.642 -6.463 1.00 34.14 C ATOM 913 C GLY B 30 -14.313 -1.960 -7.755 1.00 4.23 C ATOM 914 O GLY B 30 -15.499 -1.966 -8.081 1.00 4.50 O ATOM 0 H GLY B 30 -11.997 -2.598 -5.500 1.00 34.31 H new ATOM 0 HA2 GLY B 30 -13.619 -3.686 -6.664 1.00 34.14 H new ATOM 0 HA3 GLY B 30 -14.672 -2.635 -5.738 1.00 34.14 H new ATOM 918 N GLU B 31 -13.345 -1.387 -8.456 1.00 44.11 N ATOM 919 CA GLU B 31 -13.631 -0.701 -9.705 1.00 23.35 C ATOM 920 C GLU B 31 -12.587 -1.069 -10.763 1.00 14.54 C ATOM 921 O GLU B 31 -11.857 -2.046 -10.606 1.00 61.41 O ATOM 922 CB GLU B 31 -13.692 0.813 -9.497 1.00 64.01 C ATOM 923 CG GLU B 31 -15.107 1.343 -9.739 1.00 40.10 C ATOM 924 CD GLU B 31 -15.176 2.151 -11.036 1.00 62.21 C ATOM 925 OE1 GLU B 31 -14.586 1.748 -12.050 1.00 31.21 O ATOM 926 OE2 GLU B 31 -15.874 3.233 -10.969 1.00 11.35 O ATOM 0 H GLU B 31 -12.362 -1.384 -8.183 1.00 44.11 H new ATOM 0 HA GLU B 31 -14.609 -1.025 -10.060 1.00 23.35 H new ATOM 0 HB2 GLU B 31 -13.377 1.057 -8.483 1.00 64.01 H new ATOM 0 HB3 GLU B 31 -12.995 1.305 -10.175 1.00 64.01 H new ATOM 0 HG2 GLU B 31 -15.808 0.510 -9.788 1.00 40.10 H new ATOM 0 HG3 GLU B 31 -15.413 1.968 -8.900 1.00 40.10 H new ATOM 933 N ASP B 32 -12.551 -0.265 -11.815 1.00 25.12 N ATOM 934 CA ASP B 32 -11.610 -0.493 -12.898 1.00 25.11 C ATOM 935 C ASP B 32 -10.887 0.816 -13.225 1.00 53.31 C ATOM 936 O ASP B 32 -11.470 1.716 -13.828 1.00 63.01 O ATOM 937 CB ASP B 32 -12.329 -0.965 -14.163 1.00 62.01 C ATOM 938 CG ASP B 32 -13.464 -1.963 -13.927 1.00 60.20 C ATOM 939 OD1 ASP B 32 -13.227 -3.158 -13.699 1.00 5.13 O ATOM 940 OD2 ASP B 32 -14.651 -1.461 -13.987 1.00 73.45 O ATOM 0 H ASP B 32 -13.158 0.545 -11.941 1.00 25.12 H new ATOM 0 HA ASP B 32 -10.906 -1.260 -12.576 1.00 25.11 H new ATOM 0 HB2 ASP B 32 -12.733 -0.094 -14.680 1.00 62.01 H new ATOM 0 HB3 ASP B 32 -11.597 -1.421 -14.830 1.00 62.01 H new ATOM 945 N MET B 33 -9.630 0.881 -12.812 1.00 72.43 N ATOM 946 CA MET B 33 -8.824 2.065 -13.053 1.00 62.22 C ATOM 947 C MET B 33 -9.010 2.573 -14.484 1.00 50.55 C ATOM 948 O MET B 33 -9.303 1.795 -15.390 1.00 41.10 O ATOM 949 CB MET B 33 -7.348 1.734 -12.818 1.00 1.23 C ATOM 950 CG MET B 33 -6.718 2.714 -11.825 1.00 11.21 C ATOM 951 SD MET B 33 -5.969 1.818 -10.475 1.00 44.41 S ATOM 952 CE MET B 33 -5.046 0.595 -11.390 1.00 31.12 C ATOM 0 H MET B 33 -9.150 0.133 -12.312 1.00 72.43 H new ATOM 0 HA MET B 33 -9.146 2.847 -12.365 1.00 62.22 H new ATOM 0 HB2 MET B 33 -7.256 0.716 -12.439 1.00 1.23 H new ATOM 0 HB3 MET B 33 -6.808 1.772 -13.764 1.00 1.23 H new ATOM 0 HG2 MET B 33 -5.967 3.323 -12.329 1.00 11.21 H new ATOM 0 HG3 MET B 33 -7.478 3.396 -11.443 1.00 11.21 H new ATOM 0 HE1 MET B 33 -4.104 0.394 -10.880 1.00 31.12 H new ATOM 0 HE2 MET B 33 -5.627 -0.325 -11.455 1.00 31.12 H new ATOM 0 HE3 MET B 33 -4.843 0.968 -12.394 1.00 31.12 H new ATOM 962 N VAL B 34 -8.833 3.877 -14.642 1.00 73.14 N ATOM 963 CA VAL B 34 -8.979 4.499 -15.947 1.00 51.34 C ATOM 964 C VAL B 34 -7.592 4.744 -16.548 1.00 54.13 C ATOM 965 O VAL B 34 -6.588 4.690 -15.841 1.00 60.50 O ATOM 966 CB VAL B 34 -9.813 5.775 -15.829 1.00 12.52 C ATOM 967 CG1 VAL B 34 -10.350 6.209 -17.195 1.00 31.35 C ATOM 968 CG2 VAL B 34 -10.954 5.594 -14.824 1.00 64.24 C ATOM 0 H VAL B 34 -8.590 4.519 -13.888 1.00 73.14 H new ATOM 0 HA VAL B 34 -9.517 3.838 -16.627 1.00 51.34 H new ATOM 0 HB VAL B 34 -9.162 6.567 -15.458 1.00 12.52 H new ATOM 0 HG11 VAL B 34 -10.939 7.119 -17.082 1.00 31.35 H new ATOM 0 HG12 VAL B 34 -9.516 6.399 -17.870 1.00 31.35 H new ATOM 0 HG13 VAL B 34 -10.978 5.419 -17.607 1.00 31.35 H new ATOM 0 HG21 VAL B 34 -11.531 6.516 -14.759 1.00 64.24 H new ATOM 0 HG22 VAL B 34 -11.603 4.782 -15.152 1.00 64.24 H new ATOM 0 HG23 VAL B 34 -10.541 5.355 -13.844 1.00 64.24 H new ATOM 978 N LYS B 35 -7.584 5.009 -17.846 1.00 73.23 N ATOM 979 CA LYS B 35 -6.338 5.262 -18.550 1.00 32.21 C ATOM 980 C LYS B 35 -6.282 6.734 -18.963 1.00 2.23 C ATOM 981 O LYS B 35 -7.299 7.317 -19.338 1.00 65.21 O ATOM 982 CB LYS B 35 -6.176 4.289 -19.719 1.00 70.42 C ATOM 983 CG LYS B 35 -6.745 4.881 -21.009 1.00 74.24 C ATOM 984 CD LYS B 35 -5.649 5.562 -21.831 1.00 52.21 C ATOM 985 CE LYS B 35 -4.795 4.530 -22.568 1.00 24.13 C ATOM 986 NZ LYS B 35 -3.979 5.184 -23.616 1.00 32.53 N ATOM 0 H LYS B 35 -8.420 5.054 -18.429 1.00 73.23 H new ATOM 0 HA LYS B 35 -5.486 5.081 -17.895 1.00 32.21 H new ATOM 0 HB2 LYS B 35 -5.121 4.054 -19.857 1.00 70.42 H new ATOM 0 HB3 LYS B 35 -6.684 3.352 -19.490 1.00 70.42 H new ATOM 0 HG2 LYS B 35 -7.211 4.093 -21.600 1.00 74.24 H new ATOM 0 HG3 LYS B 35 -7.526 5.603 -20.769 1.00 74.24 H new ATOM 0 HD2 LYS B 35 -6.101 6.246 -22.550 1.00 52.21 H new ATOM 0 HD3 LYS B 35 -5.017 6.161 -21.175 1.00 52.21 H new ATOM 0 HE2 LYS B 35 -4.144 4.016 -21.860 1.00 24.13 H new ATOM 0 HE3 LYS B 35 -5.437 3.773 -23.019 1.00 24.13 H new ATOM 0 HZ1 LYS B 35 -3.405 4.468 -24.106 1.00 32.53 H new ATOM 0 HZ2 LYS B 35 -4.605 5.654 -24.300 1.00 32.53 H new ATOM 0 HZ3 LYS B 35 -3.353 5.889 -23.178 1.00 32.53 H new ATOM 999 N GLN B 36 -5.083 7.294 -18.881 1.00 32.32 N ATOM 1000 CA GLN B 36 -4.881 8.686 -19.242 1.00 54.40 C ATOM 1001 C GLN B 36 -4.630 8.814 -20.746 1.00 33.35 C ATOM 1002 O GLN B 36 -3.818 9.630 -21.176 1.00 44.30 O ATOM 1003 CB GLN B 36 -3.731 9.298 -18.440 1.00 0.41 C ATOM 1004 CG GLN B 36 -3.754 8.814 -16.989 1.00 53.12 C ATOM 1005 CD GLN B 36 -4.782 9.595 -16.166 1.00 70.45 C ATOM 1006 OE1 GLN B 36 -4.518 10.670 -15.654 1.00 74.34 O ATOM 1007 NE2 GLN B 36 -5.965 8.995 -16.071 1.00 13.14 N ATOM 0 H GLN B 36 -4.242 6.808 -18.570 1.00 32.32 H new ATOM 0 HA GLN B 36 -5.787 9.240 -18.997 1.00 54.40 H new ATOM 0 HB2 GLN B 36 -2.780 9.031 -18.901 1.00 0.41 H new ATOM 0 HB3 GLN B 36 -3.804 10.385 -18.465 1.00 0.41 H new ATOM 0 HG2 GLN B 36 -3.992 7.751 -16.960 1.00 53.12 H new ATOM 0 HG3 GLN B 36 -2.764 8.931 -16.547 1.00 53.12 H new ATOM 0 HE21 GLN B 36 -6.118 8.094 -16.525 1.00 13.14 H new ATOM 0 HE22 GLN B 36 -6.719 9.435 -15.544 1.00 13.14 H new