USER MOD reduce.3.24.130724 H: found=0, std=0, add=754, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 756 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 39 CYS SG : rot 70:sc= 0.263 USER MOD Set 1.2: B 39 CYS SG : rot 77:sc= 0.177 USER MOD Set 2.1: B 18 SER OG : rot 180:sc= -0.261 USER MOD Set 2.2: B 22 LYS NZ :NH3+ 143:sc= 1.64 (180deg=-1.17!) USER MOD Set 3.1: A 18 SER OG : rot 180:sc= -0.224 USER MOD Set 3.2: A 22 LYS NZ :NH3+ 148:sc= 1.69 (180deg=-1.2!) USER MOD Single : A 5 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0251) USER MOD Single : A 14 ASN : amide:sc= -0.0402 K(o=-0.04,f=-0.8) USER MOD Single : A 15 TYR OH : rot 180:sc= -1.13 USER MOD Single : A 17 SER OG : rot 64:sc= 1.23 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 74:sc= 1.02 USER MOD Single : A 34 ASN : amide:sc= 1.1 K(o=1.1,f=-0.046) USER MOD Single : A 37 MET CE :methyl 180:sc= -1.46 (180deg=-1.46) USER MOD Single : A 41 SER OG : rot -12:sc= 1.73 USER MOD Single : A 52 SER OG : rot 180:sc= 0.0247 USER MOD Single : B 5 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0288) USER MOD Single : B 14 ASN : amide:sc= -0.0334 K(o=-0.033,f=-0.72) USER MOD Single : B 15 TYR OH : rot 180:sc= -0.77 USER MOD Single : B 17 SER OG : rot 64:sc= 1.26 USER MOD Single : B 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 26 SER OG : rot 180:sc= 0 USER MOD Single : B 32 SER OG : rot 74:sc= 1.04 USER MOD Single : B 34 ASN : amide:sc= 1.13 K(o=1.1,f=-0.05) USER MOD Single : B 37 MET CE :methyl -178:sc= -1.46 (180deg=-1.57) USER MOD Single : B 41 SER OG : rot -8:sc= 1.75 USER MOD Single : B 52 SER OG : rot 180:sc= 0.0211 USER MOD ----------------------------------------------------------------- ATOM 74 N LYS A 5 -2.620 10.442 4.241 1.00 0.41 N ATOM 75 CA LYS A 5 -1.621 9.574 3.626 1.00 0.36 C ATOM 76 C LYS A 5 -0.829 8.785 4.665 1.00 0.27 C ATOM 77 O LYS A 5 -0.361 7.684 4.386 1.00 0.25 O ATOM 78 CB LYS A 5 -0.672 10.385 2.730 1.00 0.42 C ATOM 79 CG LYS A 5 0.075 11.502 3.446 1.00 0.41 C ATOM 80 CD LYS A 5 1.064 12.188 2.514 1.00 0.53 C ATOM 81 CE LYS A 5 1.924 13.211 3.246 1.00 0.73 C ATOM 82 NZ LYS A 5 1.122 14.308 3.848 1.00 1.14 N ATOM 0 HA LYS A 5 -2.158 8.854 3.009 1.00 0.36 H new ATOM 0 HB2 LYS A 5 0.056 9.706 2.285 1.00 0.42 H new ATOM 0 HB3 LYS A 5 -1.247 10.817 1.911 1.00 0.42 H new ATOM 0 HG2 LYS A 5 -0.637 12.234 3.827 1.00 0.41 H new ATOM 0 HG3 LYS A 5 0.605 11.095 4.307 1.00 0.41 H new ATOM 0 HD2 LYS A 5 1.707 11.438 2.052 1.00 0.53 H new ATOM 0 HD3 LYS A 5 0.520 12.682 1.708 1.00 0.53 H new ATOM 0 HE2 LYS A 5 2.491 12.709 4.030 1.00 0.73 H new ATOM 0 HE3 LYS A 5 2.648 13.635 2.550 1.00 0.73 H new ATOM 0 HZ1 LYS A 5 1.759 15.010 4.274 1.00 1.14 H new ATOM 0 HZ2 LYS A 5 0.548 14.764 3.110 1.00 1.14 H new ATOM 0 HZ3 LYS A 5 0.496 13.918 4.581 1.00 1.14 H new ATOM 96 N GLU A 6 -0.679 9.354 5.855 1.00 0.30 N ATOM 97 CA GLU A 6 -0.015 8.663 6.957 1.00 0.36 C ATOM 98 C GLU A 6 -0.846 7.460 7.406 1.00 0.38 C ATOM 99 O GLU A 6 -0.319 6.369 7.629 1.00 0.41 O ATOM 100 CB GLU A 6 0.192 9.628 8.126 1.00 0.49 C ATOM 101 CG GLU A 6 0.927 9.018 9.308 1.00 0.99 C ATOM 102 CD GLU A 6 1.086 9.997 10.450 1.00 1.46 C ATOM 103 OE1 GLU A 6 2.058 10.779 10.434 1.00 2.11 O ATOM 104 OE2 GLU A 6 0.238 10.000 11.369 1.00 2.00 O ATOM 0 H GLU A 6 -1.008 10.292 6.083 1.00 0.30 H new ATOM 0 HA GLU A 6 0.957 8.306 6.616 1.00 0.36 H new ATOM 0 HB2 GLU A 6 0.749 10.496 7.773 1.00 0.49 H new ATOM 0 HB3 GLU A 6 -0.780 9.989 8.463 1.00 0.49 H new ATOM 0 HG2 GLU A 6 0.384 8.140 9.658 1.00 0.99 H new ATOM 0 HG3 GLU A 6 1.910 8.677 8.985 1.00 0.99 H new ATOM 111 N GLU A 7 -2.149 7.677 7.522 1.00 0.41 N ATOM 112 CA GLU A 7 -3.080 6.630 7.932 1.00 0.48 C ATOM 113 C GLU A 7 -3.088 5.492 6.920 1.00 0.40 C ATOM 114 O GLU A 7 -3.100 4.317 7.287 1.00 0.40 O ATOM 115 CB GLU A 7 -4.485 7.210 8.070 1.00 0.61 C ATOM 116 CG GLU A 7 -4.546 8.418 8.984 1.00 0.75 C ATOM 117 CD GLU A 7 -5.912 9.062 9.010 1.00 0.95 C ATOM 118 OE1 GLU A 7 -6.573 9.118 7.947 1.00 1.25 O ATOM 119 OE2 GLU A 7 -6.325 9.534 10.089 1.00 1.68 O ATOM 0 H GLU A 7 -2.590 8.578 7.336 1.00 0.41 H new ATOM 0 HA GLU A 7 -2.756 6.236 8.895 1.00 0.48 H new ATOM 0 HB2 GLU A 7 -4.854 7.490 7.083 1.00 0.61 H new ATOM 0 HB3 GLU A 7 -5.153 6.439 8.453 1.00 0.61 H new ATOM 0 HG2 GLU A 7 -4.271 8.117 9.995 1.00 0.75 H new ATOM 0 HG3 GLU A 7 -3.809 9.152 8.658 1.00 0.75 H new ATOM 126 N ILE A 8 -3.074 5.852 5.644 1.00 0.37 N ATOM 127 CA ILE A 8 -3.048 4.866 4.577 1.00 0.36 C ATOM 128 C ILE A 8 -1.725 4.107 4.586 1.00 0.27 C ATOM 129 O ILE A 8 -1.698 2.894 4.391 1.00 0.25 O ATOM 130 CB ILE A 8 -3.278 5.514 3.194 1.00 0.40 C ATOM 131 CG1 ILE A 8 -4.624 6.252 3.182 1.00 0.54 C ATOM 132 CG2 ILE A 8 -3.235 4.460 2.093 1.00 0.42 C ATOM 133 CD1 ILE A 8 -4.922 6.971 1.885 1.00 0.96 C ATOM 0 H ILE A 8 -3.080 6.821 5.324 1.00 0.37 H new ATOM 0 HA ILE A 8 -3.864 4.166 4.758 1.00 0.36 H new ATOM 0 HB ILE A 8 -2.480 6.232 3.005 1.00 0.40 H new ATOM 0 HG12 ILE A 8 -5.421 5.535 3.379 1.00 0.54 H new ATOM 0 HG13 ILE A 8 -4.637 6.975 3.997 1.00 0.54 H new ATOM 0 HG21 ILE A 8 -3.399 4.937 1.127 1.00 0.42 H new ATOM 0 HG22 ILE A 8 -2.261 3.971 2.096 1.00 0.42 H new ATOM 0 HG23 ILE A 8 -4.014 3.718 2.269 1.00 0.42 H new ATOM 0 HD11 ILE A 8 -5.890 7.467 1.958 1.00 0.96 H new ATOM 0 HD12 ILE A 8 -4.147 7.714 1.694 1.00 0.96 H new ATOM 0 HD13 ILE A 8 -4.944 6.251 1.067 1.00 0.96 H new ATOM 145 N ALA A 9 -0.630 4.824 4.828 1.00 0.25 N ATOM 146 CA ALA A 9 0.685 4.200 4.947 1.00 0.20 C ATOM 147 C ALA A 9 0.691 3.137 6.040 1.00 0.19 C ATOM 148 O ALA A 9 1.275 2.066 5.872 1.00 0.16 O ATOM 149 CB ALA A 9 1.745 5.251 5.229 1.00 0.21 C ATOM 0 H ALA A 9 -0.628 5.837 4.945 1.00 0.25 H new ATOM 0 HA ALA A 9 0.914 3.713 3.999 1.00 0.20 H new ATOM 0 HB1 ALA A 9 2.720 4.771 5.315 1.00 0.21 H new ATOM 0 HB2 ALA A 9 1.767 5.973 4.413 1.00 0.21 H new ATOM 0 HB3 ALA A 9 1.510 5.764 6.161 1.00 0.21 H new ATOM 155 N ALA A 10 0.031 3.439 7.155 1.00 0.24 N ATOM 156 CA ALA A 10 -0.106 2.488 8.249 1.00 0.25 C ATOM 157 C ALA A 10 -0.820 1.227 7.775 1.00 0.24 C ATOM 158 O ALA A 10 -0.417 0.111 8.095 1.00 0.22 O ATOM 159 CB ALA A 10 -0.858 3.118 9.412 1.00 0.33 C ATOM 0 H ALA A 10 -0.418 4.339 7.323 1.00 0.24 H new ATOM 0 HA ALA A 10 0.891 2.212 8.591 1.00 0.25 H new ATOM 0 HB1 ALA A 10 -0.951 2.393 10.221 1.00 0.33 H new ATOM 0 HB2 ALA A 10 -0.311 3.991 9.769 1.00 0.33 H new ATOM 0 HB3 ALA A 10 -1.851 3.422 9.081 1.00 0.33 H new ATOM 165 N LEU A 11 -1.874 1.419 6.996 1.00 0.27 N ATOM 166 CA LEU A 11 -2.625 0.310 6.422 1.00 0.30 C ATOM 167 C LEU A 11 -1.712 -0.502 5.504 1.00 0.26 C ATOM 168 O LEU A 11 -1.678 -1.728 5.565 1.00 0.29 O ATOM 169 CB LEU A 11 -3.836 0.869 5.644 1.00 0.38 C ATOM 170 CG LEU A 11 -4.929 -0.129 5.210 1.00 0.75 C ATOM 171 CD1 LEU A 11 -4.448 -1.054 4.100 1.00 1.56 C ATOM 172 CD2 LEU A 11 -5.422 -0.935 6.400 1.00 0.63 C ATOM 0 H LEU A 11 -2.232 2.341 6.745 1.00 0.27 H new ATOM 0 HA LEU A 11 -2.990 -0.347 7.211 1.00 0.30 H new ATOM 0 HB2 LEU A 11 -4.306 1.635 6.260 1.00 0.38 H new ATOM 0 HB3 LEU A 11 -3.460 1.366 4.749 1.00 0.38 H new ATOM 0 HG LEU A 11 -5.760 0.453 4.812 1.00 0.75 H new ATOM 0 HD11 LEU A 11 -5.249 -1.740 3.825 1.00 1.56 H new ATOM 0 HD12 LEU A 11 -4.164 -0.462 3.230 1.00 1.56 H new ATOM 0 HD13 LEU A 11 -3.586 -1.623 4.449 1.00 1.56 H new ATOM 0 HD21 LEU A 11 -6.193 -1.633 6.073 1.00 0.63 H new ATOM 0 HD22 LEU A 11 -4.590 -1.490 6.833 1.00 0.63 H new ATOM 0 HD23 LEU A 11 -5.838 -0.261 7.149 1.00 0.63 H new ATOM 184 N ILE A 12 -0.959 0.207 4.678 1.00 0.21 N ATOM 185 CA ILE A 12 -0.086 -0.410 3.690 1.00 0.20 C ATOM 186 C ILE A 12 1.003 -1.268 4.338 1.00 0.18 C ATOM 187 O ILE A 12 1.229 -2.408 3.923 1.00 0.20 O ATOM 188 CB ILE A 12 0.549 0.670 2.790 1.00 0.19 C ATOM 189 CG1 ILE A 12 -0.544 1.354 1.963 1.00 0.22 C ATOM 190 CG2 ILE A 12 1.613 0.068 1.888 1.00 0.20 C ATOM 191 CD1 ILE A 12 -0.069 2.564 1.192 1.00 0.25 C ATOM 0 H ILE A 12 -0.935 1.227 4.673 1.00 0.21 H new ATOM 0 HA ILE A 12 -0.701 -1.072 3.080 1.00 0.20 H new ATOM 0 HB ILE A 12 1.036 1.414 3.420 1.00 0.19 H new ATOM 0 HG12 ILE A 12 -0.960 0.631 1.262 1.00 0.22 H new ATOM 0 HG13 ILE A 12 -1.353 1.655 2.628 1.00 0.22 H new ATOM 0 HG21 ILE A 12 2.045 0.850 1.263 1.00 0.20 H new ATOM 0 HG22 ILE A 12 2.395 -0.383 2.499 1.00 0.20 H new ATOM 0 HG23 ILE A 12 1.163 -0.696 1.254 1.00 0.20 H new ATOM 0 HD11 ILE A 12 -0.903 2.990 0.633 1.00 0.25 H new ATOM 0 HD12 ILE A 12 0.320 3.308 1.887 1.00 0.25 H new ATOM 0 HD13 ILE A 12 0.719 2.268 0.499 1.00 0.25 H new ATOM 203 N VAL A 13 1.672 -0.741 5.358 1.00 0.16 N ATOM 204 CA VAL A 13 2.728 -1.498 6.021 1.00 0.16 C ATOM 205 C VAL A 13 2.146 -2.658 6.827 1.00 0.16 C ATOM 206 O VAL A 13 2.737 -3.734 6.889 1.00 0.18 O ATOM 207 CB VAL A 13 3.624 -0.616 6.924 1.00 0.15 C ATOM 208 CG1 VAL A 13 4.364 0.421 6.094 1.00 0.16 C ATOM 209 CG2 VAL A 13 2.815 0.057 8.020 1.00 0.14 C ATOM 0 H VAL A 13 1.506 0.191 5.739 1.00 0.16 H new ATOM 0 HA VAL A 13 3.363 -1.895 5.229 1.00 0.16 H new ATOM 0 HB VAL A 13 4.356 -1.267 7.402 1.00 0.15 H new ATOM 0 HG11 VAL A 13 4.988 1.031 6.747 1.00 0.16 H new ATOM 0 HG12 VAL A 13 4.991 -0.082 5.358 1.00 0.16 H new ATOM 0 HG13 VAL A 13 3.643 1.058 5.581 1.00 0.16 H new ATOM 0 HG21 VAL A 13 3.475 0.669 8.636 1.00 0.14 H new ATOM 0 HG22 VAL A 13 2.049 0.689 7.571 1.00 0.14 H new ATOM 0 HG23 VAL A 13 2.341 -0.703 8.641 1.00 0.14 H new ATOM 219 N ASN A 14 0.981 -2.442 7.429 1.00 0.18 N ATOM 220 CA ASN A 14 0.287 -3.509 8.151 1.00 0.21 C ATOM 221 C ASN A 14 -0.100 -4.619 7.183 1.00 0.19 C ATOM 222 O ASN A 14 -0.039 -5.807 7.512 1.00 0.20 O ATOM 223 CB ASN A 14 -0.962 -2.968 8.848 1.00 0.30 C ATOM 224 CG ASN A 14 -1.597 -3.988 9.774 1.00 0.42 C ATOM 225 OD1 ASN A 14 -0.911 -4.816 10.373 1.00 0.45 O ATOM 226 ND2 ASN A 14 -2.910 -3.939 9.894 1.00 0.57 N ATOM 0 H ASN A 14 0.498 -1.544 7.433 1.00 0.18 H new ATOM 0 HA ASN A 14 0.960 -3.908 8.910 1.00 0.21 H new ATOM 0 HB2 ASN A 14 -0.699 -2.078 9.419 1.00 0.30 H new ATOM 0 HB3 ASN A 14 -1.690 -2.661 8.097 1.00 0.30 H new ATOM 0 HD21 ASN A 14 -3.392 -4.603 10.500 1.00 0.57 H new ATOM 0 HD22 ASN A 14 -3.443 -3.237 9.381 1.00 0.57 H new ATOM 233 N TYR A 15 -0.481 -4.215 5.979 1.00 0.22 N ATOM 234 CA TYR A 15 -0.804 -5.149 4.917 1.00 0.24 C ATOM 235 C TYR A 15 0.399 -6.029 4.594 1.00 0.22 C ATOM 236 O TYR A 15 0.296 -7.256 4.599 1.00 0.23 O ATOM 237 CB TYR A 15 -1.263 -4.395 3.667 1.00 0.30 C ATOM 238 CG TYR A 15 -1.376 -5.266 2.439 1.00 0.39 C ATOM 239 CD1 TYR A 15 -2.466 -6.104 2.255 1.00 1.19 C ATOM 240 CD2 TYR A 15 -0.387 -5.253 1.464 1.00 1.30 C ATOM 241 CE1 TYR A 15 -2.565 -6.905 1.137 1.00 1.21 C ATOM 242 CE2 TYR A 15 -0.480 -6.050 0.343 1.00 1.40 C ATOM 243 CZ TYR A 15 -1.569 -6.875 0.184 1.00 0.65 C ATOM 244 OH TYR A 15 -1.664 -7.670 -0.930 1.00 0.80 O ATOM 0 H TYR A 15 -0.574 -3.234 5.715 1.00 0.22 H new ATOM 0 HA TYR A 15 -1.618 -5.789 5.256 1.00 0.24 H new ATOM 0 HB2 TYR A 15 -2.231 -3.936 3.866 1.00 0.30 H new ATOM 0 HB3 TYR A 15 -0.562 -3.586 3.464 1.00 0.30 H new ATOM 0 HD1 TYR A 15 -3.249 -6.129 2.999 1.00 1.19 H new ATOM 0 HD2 TYR A 15 0.470 -4.607 1.586 1.00 1.30 H new ATOM 0 HE1 TYR A 15 -3.419 -7.553 1.008 1.00 1.21 H new ATOM 0 HE2 TYR A 15 0.298 -6.027 -0.406 1.00 1.40 H new ATOM 0 HH TYR A 15 -0.881 -7.528 -1.501 1.00 0.80 H new ATOM 254 N PHE A 16 1.541 -5.400 4.324 1.00 0.20 N ATOM 255 CA PHE A 16 2.753 -6.143 3.999 1.00 0.21 C ATOM 256 C PHE A 16 3.217 -6.975 5.186 1.00 0.20 C ATOM 257 O PHE A 16 3.780 -8.054 5.005 1.00 0.20 O ATOM 258 CB PHE A 16 3.879 -5.212 3.540 1.00 0.20 C ATOM 259 CG PHE A 16 3.651 -4.582 2.191 1.00 0.20 C ATOM 260 CD1 PHE A 16 3.290 -5.357 1.096 1.00 0.91 C ATOM 261 CD2 PHE A 16 3.810 -3.216 2.012 1.00 1.04 C ATOM 262 CE1 PHE A 16 3.093 -4.781 -0.143 1.00 0.91 C ATOM 263 CE2 PHE A 16 3.612 -2.639 0.775 1.00 1.05 C ATOM 264 CZ PHE A 16 3.253 -3.422 -0.303 1.00 0.23 C ATOM 0 H PHE A 16 1.651 -4.386 4.324 1.00 0.20 H new ATOM 0 HA PHE A 16 2.508 -6.812 3.174 1.00 0.21 H new ATOM 0 HB2 PHE A 16 4.006 -4.422 4.280 1.00 0.20 H new ATOM 0 HB3 PHE A 16 4.812 -5.775 3.512 1.00 0.20 H new ATOM 0 HD1 PHE A 16 3.162 -6.423 1.215 1.00 0.91 H new ATOM 0 HD2 PHE A 16 4.092 -2.597 2.851 1.00 1.04 H new ATOM 0 HE1 PHE A 16 2.814 -5.395 -0.986 1.00 0.91 H new ATOM 0 HE2 PHE A 16 3.738 -1.574 0.650 1.00 1.05 H new ATOM 0 HZ PHE A 16 3.098 -2.970 -1.271 1.00 0.23 H new ATOM 274 N SER A 17 2.977 -6.478 6.393 1.00 0.19 N ATOM 275 CA SER A 17 3.281 -7.237 7.597 1.00 0.20 C ATOM 276 C SER A 17 2.486 -8.539 7.599 1.00 0.21 C ATOM 277 O SER A 17 3.051 -9.619 7.761 1.00 0.24 O ATOM 278 CB SER A 17 2.971 -6.413 8.848 1.00 0.21 C ATOM 279 OG SER A 17 3.759 -5.234 8.888 1.00 0.90 O ATOM 0 H SER A 17 2.574 -5.556 6.563 1.00 0.19 H new ATOM 0 HA SER A 17 4.345 -7.473 7.606 1.00 0.20 H new ATOM 0 HB2 SER A 17 1.914 -6.149 8.861 1.00 0.21 H new ATOM 0 HB3 SER A 17 3.161 -7.012 9.739 1.00 0.21 H new ATOM 0 HG SER A 17 3.526 -4.659 8.129 1.00 0.90 H new ATOM 285 N SER A 18 1.181 -8.428 7.370 1.00 0.24 N ATOM 286 CA SER A 18 0.309 -9.592 7.271 1.00 0.25 C ATOM 287 C SER A 18 0.806 -10.555 6.190 1.00 0.25 C ATOM 288 O SER A 18 0.679 -11.777 6.313 1.00 0.29 O ATOM 289 CB SER A 18 -1.123 -9.133 6.961 1.00 0.26 C ATOM 290 OG SER A 18 -1.999 -10.231 6.780 1.00 0.84 O ATOM 0 H SER A 18 0.702 -7.536 7.249 1.00 0.24 H new ATOM 0 HA SER A 18 0.320 -10.123 8.223 1.00 0.25 H new ATOM 0 HB2 SER A 18 -1.488 -8.507 7.775 1.00 0.26 H new ATOM 0 HB3 SER A 18 -1.121 -8.517 6.061 1.00 0.26 H new ATOM 0 HG SER A 18 -2.901 -9.901 6.586 1.00 0.84 H new ATOM 296 N ILE A 19 1.387 -10.000 5.136 1.00 0.23 N ATOM 297 CA ILE A 19 1.898 -10.803 4.039 1.00 0.24 C ATOM 298 C ILE A 19 3.164 -11.558 4.451 1.00 0.25 C ATOM 299 O ILE A 19 3.244 -12.775 4.292 1.00 0.28 O ATOM 300 CB ILE A 19 2.201 -9.935 2.792 1.00 0.24 C ATOM 301 CG1 ILE A 19 0.932 -9.225 2.308 1.00 0.25 C ATOM 302 CG2 ILE A 19 2.796 -10.775 1.669 1.00 0.27 C ATOM 303 CD1 ILE A 19 -0.192 -10.165 1.928 1.00 0.28 C ATOM 0 H ILE A 19 1.516 -8.995 5.019 1.00 0.23 H new ATOM 0 HA ILE A 19 1.120 -11.522 3.784 1.00 0.24 H new ATOM 0 HB ILE A 19 2.935 -9.183 3.080 1.00 0.24 H new ATOM 0 HG12 ILE A 19 0.582 -8.554 3.092 1.00 0.25 H new ATOM 0 HG13 ILE A 19 1.181 -8.605 1.446 1.00 0.25 H new ATOM 0 HG21 ILE A 19 2.998 -10.139 0.807 1.00 0.27 H new ATOM 0 HG22 ILE A 19 3.725 -11.231 2.009 1.00 0.27 H new ATOM 0 HG23 ILE A 19 2.091 -11.556 1.386 1.00 0.27 H new ATOM 0 HD11 ILE A 19 -1.054 -9.586 1.596 1.00 0.28 H new ATOM 0 HD12 ILE A 19 0.138 -10.819 1.121 1.00 0.28 H new ATOM 0 HD13 ILE A 19 -0.471 -10.767 2.793 1.00 0.28 H new ATOM 315 N VAL A 20 4.141 -10.840 4.995 1.00 0.25 N ATOM 316 CA VAL A 20 5.433 -11.437 5.311 1.00 0.28 C ATOM 317 C VAL A 20 5.367 -12.346 6.543 1.00 0.33 C ATOM 318 O VAL A 20 5.947 -13.430 6.543 1.00 0.34 O ATOM 319 CB VAL A 20 6.534 -10.366 5.499 1.00 0.29 C ATOM 320 CG1 VAL A 20 6.712 -9.563 4.219 1.00 0.26 C ATOM 321 CG2 VAL A 20 6.227 -9.437 6.665 1.00 0.30 C ATOM 0 H VAL A 20 4.064 -9.849 5.225 1.00 0.25 H new ATOM 0 HA VAL A 20 5.697 -12.053 4.452 1.00 0.28 H new ATOM 0 HB VAL A 20 7.464 -10.887 5.729 1.00 0.29 H new ATOM 0 HG11 VAL A 20 7.489 -8.813 4.365 1.00 0.26 H new ATOM 0 HG12 VAL A 20 7.000 -10.231 3.407 1.00 0.26 H new ATOM 0 HG13 VAL A 20 5.774 -9.069 3.966 1.00 0.26 H new ATOM 0 HG21 VAL A 20 7.024 -8.700 6.763 1.00 0.30 H new ATOM 0 HG22 VAL A 20 5.281 -8.926 6.484 1.00 0.30 H new ATOM 0 HG23 VAL A 20 6.155 -10.018 7.584 1.00 0.30 H new ATOM 331 N GLU A 21 4.655 -11.912 7.580 1.00 0.39 N ATOM 332 CA GLU A 21 4.538 -12.693 8.811 1.00 0.49 C ATOM 333 C GLU A 21 3.852 -14.034 8.557 1.00 0.48 C ATOM 334 O GLU A 21 4.225 -15.053 9.139 1.00 0.51 O ATOM 335 CB GLU A 21 3.774 -11.906 9.876 1.00 0.59 C ATOM 336 CG GLU A 21 4.462 -10.615 10.291 1.00 1.23 C ATOM 337 CD GLU A 21 3.710 -9.879 11.377 1.00 1.83 C ATOM 338 OE1 GLU A 21 2.657 -9.283 11.081 1.00 2.49 O ATOM 339 OE2 GLU A 21 4.175 -9.884 12.536 1.00 2.39 O ATOM 0 H GLU A 21 4.151 -11.025 7.594 1.00 0.39 H new ATOM 0 HA GLU A 21 5.547 -12.891 9.173 1.00 0.49 H new ATOM 0 HB2 GLU A 21 2.779 -11.672 9.498 1.00 0.59 H new ATOM 0 HB3 GLU A 21 3.641 -12.536 10.756 1.00 0.59 H new ATOM 0 HG2 GLU A 21 5.469 -10.841 10.641 1.00 1.23 H new ATOM 0 HG3 GLU A 21 4.564 -9.966 9.421 1.00 1.23 H new ATOM 346 N LYS A 22 2.856 -14.032 7.682 1.00 0.46 N ATOM 347 CA LYS A 22 2.150 -15.262 7.346 1.00 0.49 C ATOM 348 C LYS A 22 2.801 -15.965 6.157 1.00 0.42 C ATOM 349 O LYS A 22 2.349 -17.025 5.719 1.00 0.44 O ATOM 350 CB LYS A 22 0.670 -14.994 7.063 1.00 0.57 C ATOM 351 CG LYS A 22 -0.109 -14.556 8.293 1.00 0.67 C ATOM 352 CD LYS A 22 -1.615 -14.518 8.048 1.00 0.80 C ATOM 353 CE LYS A 22 -2.064 -13.261 7.311 1.00 0.72 C ATOM 354 NZ LYS A 22 -1.635 -13.235 5.890 1.00 1.42 N ATOM 0 H LYS A 22 2.520 -13.201 7.195 1.00 0.46 H new ATOM 0 HA LYS A 22 2.216 -15.921 8.211 1.00 0.49 H new ATOM 0 HB2 LYS A 22 0.588 -14.224 6.296 1.00 0.57 H new ATOM 0 HB3 LYS A 22 0.216 -15.898 6.657 1.00 0.57 H new ATOM 0 HG2 LYS A 22 0.105 -15.238 9.116 1.00 0.67 H new ATOM 0 HG3 LYS A 22 0.231 -13.567 8.601 1.00 0.67 H new ATOM 0 HD2 LYS A 22 -1.906 -15.395 7.471 1.00 0.80 H new ATOM 0 HD3 LYS A 22 -2.135 -14.578 9.004 1.00 0.80 H new ATOM 0 HE2 LYS A 22 -3.151 -13.188 7.358 1.00 0.72 H new ATOM 0 HE3 LYS A 22 -1.664 -12.385 7.821 1.00 0.72 H new ATOM 0 HZ1 LYS A 22 -2.344 -12.728 5.323 1.00 1.42 H new ATOM 0 HZ2 LYS A 22 -0.718 -12.750 5.813 1.00 1.42 H new ATOM 0 HZ3 LYS A 22 -1.542 -14.209 5.538 1.00 1.42 H new ATOM 368 N LYS A 23 3.875 -15.351 5.654 1.00 0.36 N ATOM 369 CA LYS A 23 4.655 -15.886 4.539 1.00 0.32 C ATOM 370 C LYS A 23 3.781 -16.147 3.321 1.00 0.36 C ATOM 371 O LYS A 23 3.829 -17.219 2.720 1.00 0.41 O ATOM 372 CB LYS A 23 5.402 -17.157 4.947 1.00 0.36 C ATOM 373 CG LYS A 23 6.477 -16.912 5.992 1.00 0.42 C ATOM 374 CD LYS A 23 7.313 -18.156 6.239 1.00 0.57 C ATOM 375 CE LYS A 23 8.439 -17.879 7.222 1.00 1.21 C ATOM 376 NZ LYS A 23 9.314 -19.063 7.415 1.00 1.79 N ATOM 0 H LYS A 23 4.229 -14.464 6.012 1.00 0.36 H new ATOM 0 HA LYS A 23 5.391 -15.130 4.267 1.00 0.32 H new ATOM 0 HB2 LYS A 23 4.687 -17.882 5.335 1.00 0.36 H new ATOM 0 HB3 LYS A 23 5.859 -17.601 4.063 1.00 0.36 H new ATOM 0 HG2 LYS A 23 7.124 -16.098 5.665 1.00 0.42 H new ATOM 0 HG3 LYS A 23 6.012 -16.595 6.925 1.00 0.42 H new ATOM 0 HD2 LYS A 23 6.678 -18.953 6.626 1.00 0.57 H new ATOM 0 HD3 LYS A 23 7.730 -18.510 5.296 1.00 0.57 H new ATOM 0 HE2 LYS A 23 9.037 -17.042 6.862 1.00 1.21 H new ATOM 0 HE3 LYS A 23 8.017 -17.580 8.181 1.00 1.21 H new ATOM 0 HZ1 LYS A 23 10.068 -18.831 8.092 1.00 1.79 H new ATOM 0 HZ2 LYS A 23 8.750 -19.855 7.783 1.00 1.79 H new ATOM 0 HZ3 LYS A 23 9.738 -19.334 6.505 1.00 1.79 H new ATOM 390 N GLU A 24 2.990 -15.147 2.957 1.00 0.37 N ATOM 391 CA GLU A 24 2.112 -15.243 1.801 1.00 0.46 C ATOM 392 C GLU A 24 2.907 -14.994 0.524 1.00 0.40 C ATOM 393 O GLU A 24 2.397 -15.160 -0.582 1.00 0.43 O ATOM 394 CB GLU A 24 0.975 -14.225 1.910 1.00 0.57 C ATOM 395 CG GLU A 24 0.271 -14.226 3.261 1.00 0.84 C ATOM 396 CD GLU A 24 -0.581 -15.458 3.505 1.00 1.08 C ATOM 397 OE1 GLU A 24 -0.198 -16.563 3.078 1.00 1.83 O ATOM 398 OE2 GLU A 24 -1.640 -15.322 4.151 1.00 1.65 O ATOM 0 H GLU A 24 2.939 -14.255 3.450 1.00 0.37 H new ATOM 0 HA GLU A 24 1.684 -16.245 1.769 1.00 0.46 H new ATOM 0 HB2 GLU A 24 1.374 -13.228 1.720 1.00 0.57 H new ATOM 0 HB3 GLU A 24 0.242 -14.429 1.130 1.00 0.57 H new ATOM 0 HG2 GLU A 24 1.019 -14.150 4.050 1.00 0.84 H new ATOM 0 HG3 GLU A 24 -0.359 -13.339 3.333 1.00 0.84 H new ATOM 405 N ILE A 25 4.159 -14.594 0.698 1.00 0.36 N ATOM 406 CA ILE A 25 5.042 -14.295 -0.416 1.00 0.33 C ATOM 407 C ILE A 25 6.379 -15.019 -0.226 1.00 0.33 C ATOM 408 O ILE A 25 6.755 -15.345 0.905 1.00 0.34 O ATOM 409 CB ILE A 25 5.270 -12.767 -0.540 1.00 0.29 C ATOM 410 CG1 ILE A 25 6.028 -12.428 -1.828 1.00 0.30 C ATOM 411 CG2 ILE A 25 6.016 -12.238 0.677 1.00 0.27 C ATOM 412 CD1 ILE A 25 6.221 -10.943 -2.054 1.00 0.28 C ATOM 0 H ILE A 25 4.589 -14.468 1.615 1.00 0.36 H new ATOM 0 HA ILE A 25 4.574 -14.644 -1.337 1.00 0.33 H new ATOM 0 HB ILE A 25 4.295 -12.281 -0.585 1.00 0.29 H new ATOM 0 HG12 ILE A 25 7.005 -12.911 -1.801 1.00 0.30 H new ATOM 0 HG13 ILE A 25 5.488 -12.848 -2.677 1.00 0.30 H new ATOM 0 HG21 ILE A 25 6.167 -11.164 0.572 1.00 0.27 H new ATOM 0 HG22 ILE A 25 5.433 -12.437 1.576 1.00 0.27 H new ATOM 0 HG23 ILE A 25 6.983 -12.735 0.755 1.00 0.27 H new ATOM 0 HD11 ILE A 25 6.765 -10.784 -2.985 1.00 0.28 H new ATOM 0 HD12 ILE A 25 5.248 -10.455 -2.115 1.00 0.28 H new ATOM 0 HD13 ILE A 25 6.789 -10.520 -1.225 1.00 0.28 H new ATOM 424 N SER A 26 7.067 -15.293 -1.332 1.00 0.35 N ATOM 425 CA SER A 26 8.345 -15.997 -1.303 1.00 0.38 C ATOM 426 C SER A 26 9.391 -15.232 -0.486 1.00 0.34 C ATOM 427 O SER A 26 9.268 -14.022 -0.287 1.00 0.31 O ATOM 428 CB SER A 26 8.841 -16.227 -2.735 1.00 0.46 C ATOM 429 OG SER A 26 9.992 -17.057 -2.764 1.00 1.45 O ATOM 0 H SER A 26 6.756 -15.035 -2.268 1.00 0.35 H new ATOM 0 HA SER A 26 8.194 -16.960 -0.816 1.00 0.38 H new ATOM 0 HB2 SER A 26 8.047 -16.684 -3.326 1.00 0.46 H new ATOM 0 HB3 SER A 26 9.072 -15.268 -3.199 1.00 0.46 H new ATOM 0 HG SER A 26 10.280 -17.184 -3.692 1.00 1.45 H new ATOM 435 N GLU A 27 10.418 -15.950 -0.033 1.00 0.40 N ATOM 436 CA GLU A 27 11.408 -15.420 0.911 1.00 0.45 C ATOM 437 C GLU A 27 12.009 -14.087 0.464 1.00 0.40 C ATOM 438 O GLU A 27 11.967 -13.102 1.208 1.00 0.44 O ATOM 439 CB GLU A 27 12.522 -16.444 1.125 1.00 0.69 C ATOM 440 CG GLU A 27 12.030 -17.752 1.718 1.00 0.75 C ATOM 441 CD GLU A 27 13.150 -18.738 1.965 1.00 1.21 C ATOM 442 OE1 GLU A 27 13.778 -18.678 3.039 1.00 1.71 O ATOM 443 OE2 GLU A 27 13.409 -19.582 1.087 1.00 1.87 O ATOM 0 H GLU A 27 10.589 -16.917 -0.309 1.00 0.40 H new ATOM 0 HA GLU A 27 10.882 -15.232 1.847 1.00 0.45 H new ATOM 0 HB2 GLU A 27 13.008 -16.646 0.171 1.00 0.69 H new ATOM 0 HB3 GLU A 27 13.278 -16.016 1.784 1.00 0.69 H new ATOM 0 HG2 GLU A 27 11.516 -17.550 2.657 1.00 0.75 H new ATOM 0 HG3 GLU A 27 11.299 -18.200 1.044 1.00 0.75 H new ATOM 450 N ASP A 28 12.562 -14.049 -0.746 1.00 0.39 N ATOM 451 CA ASP A 28 13.210 -12.836 -1.250 1.00 0.39 C ATOM 452 C ASP A 28 12.196 -11.710 -1.388 1.00 0.35 C ATOM 453 O ASP A 28 12.493 -10.546 -1.109 1.00 0.38 O ATOM 454 CB ASP A 28 13.882 -13.098 -2.600 1.00 0.46 C ATOM 455 CG ASP A 28 14.659 -11.898 -3.107 1.00 1.01 C ATOM 456 OD1 ASP A 28 15.861 -11.787 -2.782 1.00 1.63 O ATOM 457 OD2 ASP A 28 14.082 -11.073 -3.841 1.00 1.85 O ATOM 0 H ASP A 28 12.576 -14.837 -1.393 1.00 0.39 H new ATOM 0 HA ASP A 28 13.975 -12.540 -0.532 1.00 0.39 H new ATOM 0 HB2 ASP A 28 14.556 -13.950 -2.507 1.00 0.46 H new ATOM 0 HB3 ASP A 28 13.123 -13.371 -3.333 1.00 0.46 H new ATOM 462 N GLY A 29 10.991 -12.069 -1.810 1.00 0.31 N ATOM 463 CA GLY A 29 9.921 -11.102 -1.902 1.00 0.30 C ATOM 464 C GLY A 29 9.569 -10.532 -0.544 1.00 0.26 C ATOM 465 O GLY A 29 9.396 -9.322 -0.398 1.00 0.24 O ATOM 0 H GLY A 29 10.737 -13.016 -2.091 1.00 0.31 H new ATOM 0 HA2 GLY A 29 10.216 -10.294 -2.571 1.00 0.30 H new ATOM 0 HA3 GLY A 29 9.041 -11.573 -2.339 1.00 0.30 H new ATOM 469 N ALA A 30 9.469 -11.408 0.452 1.00 0.24 N ATOM 470 CA ALA A 30 9.189 -10.999 1.820 1.00 0.23 C ATOM 471 C ALA A 30 10.234 -10.014 2.325 1.00 0.22 C ATOM 472 O ALA A 30 9.894 -8.990 2.916 1.00 0.21 O ATOM 473 CB ALA A 30 9.122 -12.216 2.732 1.00 0.24 C ATOM 0 H ALA A 30 9.579 -12.415 0.332 1.00 0.24 H new ATOM 0 HA ALA A 30 8.222 -10.497 1.831 1.00 0.23 H new ATOM 0 HB1 ALA A 30 8.912 -11.895 3.752 1.00 0.24 H new ATOM 0 HB2 ALA A 30 8.330 -12.883 2.391 1.00 0.24 H new ATOM 0 HB3 ALA A 30 10.076 -12.743 2.707 1.00 0.24 H new ATOM 479 N ASP A 31 11.504 -10.316 2.079 1.00 0.24 N ATOM 480 CA ASP A 31 12.590 -9.434 2.500 1.00 0.25 C ATOM 481 C ASP A 31 12.464 -8.078 1.821 1.00 0.23 C ATOM 482 O ASP A 31 12.651 -7.034 2.450 1.00 0.22 O ATOM 483 CB ASP A 31 13.953 -10.049 2.179 1.00 0.30 C ATOM 484 CG ASP A 31 15.101 -9.155 2.612 1.00 0.77 C ATOM 485 OD1 ASP A 31 15.459 -9.177 3.811 1.00 1.46 O ATOM 486 OD2 ASP A 31 15.654 -8.431 1.759 1.00 1.34 O ATOM 0 H ASP A 31 11.807 -11.160 1.593 1.00 0.24 H new ATOM 0 HA ASP A 31 12.516 -9.303 3.580 1.00 0.25 H new ATOM 0 HB2 ASP A 31 14.040 -11.015 2.676 1.00 0.30 H new ATOM 0 HB3 ASP A 31 14.023 -10.234 1.107 1.00 0.30 H new ATOM 491 N SER A 32 12.116 -8.103 0.544 1.00 0.24 N ATOM 492 CA SER A 32 11.926 -6.884 -0.222 1.00 0.23 C ATOM 493 C SER A 32 10.755 -6.067 0.330 1.00 0.20 C ATOM 494 O SER A 32 10.763 -4.840 0.274 1.00 0.22 O ATOM 495 CB SER A 32 11.706 -7.230 -1.692 1.00 0.25 C ATOM 496 OG SER A 32 12.806 -7.971 -2.199 1.00 0.92 O ATOM 0 H SER A 32 11.959 -8.961 0.015 1.00 0.24 H new ATOM 0 HA SER A 32 12.823 -6.270 -0.135 1.00 0.23 H new ATOM 0 HB2 SER A 32 10.789 -7.808 -1.802 1.00 0.25 H new ATOM 0 HB3 SER A 32 11.578 -6.316 -2.272 1.00 0.25 H new ATOM 0 HG SER A 32 12.776 -8.885 -1.846 1.00 0.92 H new ATOM 502 N LEU A 33 9.757 -6.746 0.879 1.00 0.17 N ATOM 503 CA LEU A 33 8.632 -6.063 1.505 1.00 0.15 C ATOM 504 C LEU A 33 9.024 -5.526 2.876 1.00 0.14 C ATOM 505 O LEU A 33 8.571 -4.457 3.285 1.00 0.13 O ATOM 506 CB LEU A 33 7.428 -6.996 1.636 1.00 0.16 C ATOM 507 CG LEU A 33 6.850 -7.509 0.316 1.00 0.18 C ATOM 508 CD1 LEU A 33 5.671 -8.432 0.583 1.00 0.21 C ATOM 509 CD2 LEU A 33 6.431 -6.346 -0.574 1.00 0.19 C ATOM 0 H LEU A 33 9.703 -7.764 0.904 1.00 0.17 H new ATOM 0 HA LEU A 33 8.354 -5.226 0.865 1.00 0.15 H new ATOM 0 HB2 LEU A 33 7.718 -7.853 2.244 1.00 0.16 H new ATOM 0 HB3 LEU A 33 6.641 -6.472 2.179 1.00 0.16 H new ATOM 0 HG LEU A 33 7.622 -8.074 -0.206 1.00 0.18 H new ATOM 0 HD11 LEU A 33 5.268 -8.791 -0.364 1.00 0.21 H new ATOM 0 HD12 LEU A 33 6.002 -9.281 1.181 1.00 0.21 H new ATOM 0 HD13 LEU A 33 4.897 -7.887 1.123 1.00 0.21 H new ATOM 0 HD21 LEU A 33 6.022 -6.731 -1.508 1.00 0.19 H new ATOM 0 HD22 LEU A 33 5.672 -5.752 -0.064 1.00 0.19 H new ATOM 0 HD23 LEU A 33 7.298 -5.721 -0.788 1.00 0.19 H new ATOM 521 N ASN A 34 9.874 -6.267 3.578 1.00 0.15 N ATOM 522 CA ASN A 34 10.367 -5.838 4.884 1.00 0.16 C ATOM 523 C ASN A 34 11.113 -4.519 4.774 1.00 0.16 C ATOM 524 O ASN A 34 10.875 -3.595 5.554 1.00 0.16 O ATOM 525 CB ASN A 34 11.277 -6.901 5.508 1.00 0.18 C ATOM 526 CG ASN A 34 10.509 -7.940 6.304 1.00 0.18 C ATOM 527 OD1 ASN A 34 10.291 -7.783 7.504 1.00 0.19 O ATOM 528 ND2 ASN A 34 10.093 -9.008 5.646 1.00 0.21 N ATOM 0 H ASN A 34 10.237 -7.168 3.266 1.00 0.15 H new ATOM 0 HA ASN A 34 9.501 -5.700 5.532 1.00 0.16 H new ATOM 0 HB2 ASN A 34 11.841 -7.399 4.719 1.00 0.18 H new ATOM 0 HB3 ASN A 34 12.003 -6.414 6.160 1.00 0.18 H new ATOM 0 HD21 ASN A 34 9.572 -9.737 6.134 1.00 0.21 H new ATOM 0 HD22 ASN A 34 10.293 -9.103 4.650 1.00 0.21 H new ATOM 535 N VAL A 35 11.995 -4.418 3.785 1.00 0.17 N ATOM 536 CA VAL A 35 12.756 -3.194 3.578 1.00 0.19 C ATOM 537 C VAL A 35 11.867 -2.103 2.986 1.00 0.18 C ATOM 538 O VAL A 35 12.102 -0.914 3.198 1.00 0.20 O ATOM 539 CB VAL A 35 13.990 -3.421 2.674 1.00 0.22 C ATOM 540 CG1 VAL A 35 14.879 -4.503 3.257 1.00 0.25 C ATOM 541 CG2 VAL A 35 13.582 -3.782 1.257 1.00 0.22 C ATOM 0 H VAL A 35 12.199 -5.164 3.119 1.00 0.17 H new ATOM 0 HA VAL A 35 13.117 -2.873 4.555 1.00 0.19 H new ATOM 0 HB VAL A 35 14.549 -2.486 2.633 1.00 0.22 H new ATOM 0 HG11 VAL A 35 15.743 -4.652 2.610 1.00 0.25 H new ATOM 0 HG12 VAL A 35 15.216 -4.202 4.249 1.00 0.25 H new ATOM 0 HG13 VAL A 35 14.317 -5.434 3.332 1.00 0.25 H new ATOM 0 HG21 VAL A 35 14.474 -3.934 0.649 1.00 0.22 H new ATOM 0 HG22 VAL A 35 12.991 -4.698 1.271 1.00 0.22 H new ATOM 0 HG23 VAL A 35 12.987 -2.973 0.832 1.00 0.22 H new ATOM 551 N ALA A 36 10.833 -2.515 2.255 1.00 0.16 N ATOM 552 CA ALA A 36 9.858 -1.576 1.719 1.00 0.16 C ATOM 553 C ALA A 36 9.125 -0.875 2.852 1.00 0.15 C ATOM 554 O ALA A 36 9.027 0.351 2.873 1.00 0.15 O ATOM 555 CB ALA A 36 8.869 -2.285 0.806 1.00 0.18 C ATOM 0 H ALA A 36 10.652 -3.491 2.022 1.00 0.16 H new ATOM 0 HA ALA A 36 10.389 -0.829 1.129 1.00 0.16 H new ATOM 0 HB1 ALA A 36 8.150 -1.563 0.418 1.00 0.18 H new ATOM 0 HB2 ALA A 36 9.405 -2.745 -0.024 1.00 0.18 H new ATOM 0 HB3 ALA A 36 8.342 -3.055 1.369 1.00 0.18 H new ATOM 561 N MET A 37 8.627 -1.663 3.805 1.00 0.14 N ATOM 562 CA MET A 37 7.944 -1.126 4.972 1.00 0.14 C ATOM 563 C MET A 37 8.859 -0.198 5.758 1.00 0.15 C ATOM 564 O MET A 37 8.408 0.795 6.319 1.00 0.18 O ATOM 565 CB MET A 37 7.465 -2.262 5.875 1.00 0.16 C ATOM 566 CG MET A 37 6.365 -3.114 5.265 1.00 0.16 C ATOM 567 SD MET A 37 5.729 -4.354 6.411 1.00 0.21 S ATOM 568 CE MET A 37 7.174 -5.380 6.659 1.00 0.19 C ATOM 0 H MET A 37 8.687 -2.681 3.787 1.00 0.14 H new ATOM 0 HA MET A 37 7.083 -0.554 4.625 1.00 0.14 H new ATOM 0 HB2 MET A 37 8.313 -2.902 6.118 1.00 0.16 H new ATOM 0 HB3 MET A 37 7.105 -1.840 6.813 1.00 0.16 H new ATOM 0 HG2 MET A 37 5.547 -2.469 4.944 1.00 0.16 H new ATOM 0 HG3 MET A 37 6.748 -3.611 4.374 1.00 0.16 H new ATOM 0 HE1 MET A 37 6.931 -6.190 7.346 1.00 0.19 H new ATOM 0 HE2 MET A 37 7.492 -5.798 5.704 1.00 0.19 H new ATOM 0 HE3 MET A 37 7.980 -4.778 7.078 1.00 0.19 H new ATOM 578 N ASP A 38 10.145 -0.527 5.783 1.00 0.17 N ATOM 579 CA ASP A 38 11.137 0.295 6.468 1.00 0.23 C ATOM 580 C ASP A 38 11.242 1.666 5.806 1.00 0.19 C ATOM 581 O ASP A 38 11.273 2.696 6.480 1.00 0.22 O ATOM 582 CB ASP A 38 12.499 -0.404 6.452 1.00 0.33 C ATOM 583 CG ASP A 38 13.592 0.417 7.106 1.00 0.89 C ATOM 584 OD1 ASP A 38 13.719 0.360 8.350 1.00 1.68 O ATOM 585 OD2 ASP A 38 14.336 1.109 6.378 1.00 1.41 O ATOM 0 H ASP A 38 10.527 -1.360 5.335 1.00 0.17 H new ATOM 0 HA ASP A 38 10.822 0.433 7.502 1.00 0.23 H new ATOM 0 HB2 ASP A 38 12.416 -1.362 6.965 1.00 0.33 H new ATOM 0 HB3 ASP A 38 12.780 -0.617 5.421 1.00 0.33 H new ATOM 590 N CYS A 39 11.268 1.666 4.481 1.00 0.17 N ATOM 591 CA CYS A 39 11.362 2.899 3.711 1.00 0.18 C ATOM 592 C CYS A 39 10.090 3.733 3.861 1.00 0.16 C ATOM 593 O CYS A 39 10.146 4.959 3.960 1.00 0.19 O ATOM 594 CB CYS A 39 11.623 2.575 2.240 1.00 0.20 C ATOM 595 SG CYS A 39 13.107 1.581 1.962 1.00 0.26 S ATOM 0 H CYS A 39 11.225 0.820 3.913 1.00 0.17 H new ATOM 0 HA CYS A 39 12.195 3.487 4.096 1.00 0.18 H new ATOM 0 HB2 CYS A 39 10.761 2.044 1.836 1.00 0.20 H new ATOM 0 HB3 CYS A 39 11.712 3.508 1.683 1.00 0.20 H new ATOM 0 HG CYS A 39 12.915 0.378 2.417 1.00 0.26 H new ATOM 601 N ILE A 40 8.944 3.060 3.893 1.00 0.13 N ATOM 602 CA ILE A 40 7.664 3.732 4.105 1.00 0.13 C ATOM 603 C ILE A 40 7.618 4.321 5.511 1.00 0.15 C ATOM 604 O ILE A 40 7.151 5.442 5.724 1.00 0.16 O ATOM 605 CB ILE A 40 6.478 2.758 3.922 1.00 0.13 C ATOM 606 CG1 ILE A 40 6.504 2.139 2.523 1.00 0.14 C ATOM 607 CG2 ILE A 40 5.154 3.473 4.160 1.00 0.16 C ATOM 608 CD1 ILE A 40 5.510 1.012 2.337 1.00 0.16 C ATOM 0 H ILE A 40 8.874 2.049 3.775 1.00 0.13 H new ATOM 0 HA ILE A 40 7.576 4.525 3.363 1.00 0.13 H new ATOM 0 HB ILE A 40 6.575 1.959 4.657 1.00 0.13 H new ATOM 0 HG12 ILE A 40 6.300 2.917 1.787 1.00 0.14 H new ATOM 0 HG13 ILE A 40 7.507 1.764 2.320 1.00 0.14 H new ATOM 0 HG21 ILE A 40 4.332 2.770 4.026 1.00 0.16 H new ATOM 0 HG22 ILE A 40 5.132 3.869 5.175 1.00 0.16 H new ATOM 0 HG23 ILE A 40 5.050 4.292 3.449 1.00 0.16 H new ATOM 0 HD11 ILE A 40 5.587 0.623 1.322 1.00 0.16 H new ATOM 0 HD12 ILE A 40 5.727 0.215 3.048 1.00 0.16 H new ATOM 0 HD13 ILE A 40 4.500 1.386 2.507 1.00 0.16 H new ATOM 620 N SER A 41 8.129 3.549 6.457 1.00 0.21 N ATOM 621 CA SER A 41 8.187 3.953 7.850 1.00 0.28 C ATOM 622 C SER A 41 9.023 5.223 7.996 1.00 0.30 C ATOM 623 O SER A 41 8.623 6.167 8.678 1.00 0.34 O ATOM 624 CB SER A 41 8.796 2.812 8.674 1.00 0.37 C ATOM 625 OG SER A 41 8.420 2.890 10.034 1.00 1.13 O ATOM 0 H SER A 41 8.516 2.622 6.278 1.00 0.21 H new ATOM 0 HA SER A 41 7.181 4.165 8.213 1.00 0.28 H new ATOM 0 HB2 SER A 41 8.476 1.855 8.262 1.00 0.37 H new ATOM 0 HB3 SER A 41 9.883 2.846 8.594 1.00 0.37 H new ATOM 0 HG SER A 41 8.007 3.761 10.210 1.00 1.13 H new ATOM 631 N GLU A 42 10.176 5.232 7.336 1.00 0.32 N ATOM 632 CA GLU A 42 11.070 6.386 7.343 1.00 0.37 C ATOM 633 C GLU A 42 10.405 7.608 6.709 1.00 0.31 C ATOM 634 O GLU A 42 10.637 8.742 7.126 1.00 0.44 O ATOM 635 CB GLU A 42 12.360 6.051 6.590 1.00 0.46 C ATOM 636 CG GLU A 42 13.401 7.157 6.633 1.00 0.59 C ATOM 637 CD GLU A 42 13.894 7.435 8.036 1.00 1.45 C ATOM 638 OE1 GLU A 42 14.811 6.724 8.493 1.00 2.00 O ATOM 639 OE2 GLU A 42 13.369 8.362 8.690 1.00 2.23 O ATOM 0 H GLU A 42 10.517 4.445 6.784 1.00 0.32 H new ATOM 0 HA GLU A 42 11.303 6.625 8.381 1.00 0.37 H new ATOM 0 HB2 GLU A 42 12.791 5.143 7.012 1.00 0.46 H new ATOM 0 HB3 GLU A 42 12.117 5.834 5.550 1.00 0.46 H new ATOM 0 HG2 GLU A 42 14.246 6.881 6.003 1.00 0.59 H new ATOM 0 HG3 GLU A 42 12.975 8.069 6.214 1.00 0.59 H new ATOM 646 N ALA A 43 9.572 7.368 5.705 1.00 0.18 N ATOM 647 CA ALA A 43 8.923 8.447 4.972 1.00 0.16 C ATOM 648 C ALA A 43 7.972 9.244 5.858 1.00 0.17 C ATOM 649 O ALA A 43 8.027 10.474 5.890 1.00 0.25 O ATOM 650 CB ALA A 43 8.176 7.897 3.768 1.00 0.19 C ATOM 0 H ALA A 43 9.329 6.433 5.379 1.00 0.18 H new ATOM 0 HA ALA A 43 9.706 9.124 4.631 1.00 0.16 H new ATOM 0 HB1 ALA A 43 7.697 8.716 3.232 1.00 0.19 H new ATOM 0 HB2 ALA A 43 8.877 7.390 3.105 1.00 0.19 H new ATOM 0 HB3 ALA A 43 7.417 7.190 4.103 1.00 0.19 H new ATOM 656 N PHE A 44 7.105 8.547 6.580 1.00 0.19 N ATOM 657 CA PHE A 44 6.075 9.215 7.367 1.00 0.26 C ATOM 658 C PHE A 44 6.459 9.326 8.841 1.00 0.30 C ATOM 659 O PHE A 44 5.745 9.932 9.639 1.00 0.35 O ATOM 660 CB PHE A 44 4.734 8.495 7.215 1.00 0.27 C ATOM 661 CG PHE A 44 4.207 8.511 5.807 1.00 0.27 C ATOM 662 CD1 PHE A 44 3.472 9.587 5.346 1.00 1.15 C ATOM 663 CD2 PHE A 44 4.453 7.452 4.947 1.00 1.10 C ATOM 664 CE1 PHE A 44 2.990 9.610 4.053 1.00 1.15 C ATOM 665 CE2 PHE A 44 3.972 7.470 3.650 1.00 1.13 C ATOM 666 CZ PHE A 44 3.239 8.552 3.204 1.00 0.31 C ATOM 0 H PHE A 44 7.093 7.529 6.638 1.00 0.19 H new ATOM 0 HA PHE A 44 5.979 10.230 6.981 1.00 0.26 H new ATOM 0 HB2 PHE A 44 4.845 7.461 7.542 1.00 0.27 H new ATOM 0 HB3 PHE A 44 4.002 8.961 7.875 1.00 0.27 H new ATOM 0 HD1 PHE A 44 3.273 10.419 6.005 1.00 1.15 H new ATOM 0 HD2 PHE A 44 5.026 6.604 5.293 1.00 1.10 H new ATOM 0 HE1 PHE A 44 2.417 10.457 3.706 1.00 1.15 H new ATOM 0 HE2 PHE A 44 4.169 6.640 2.988 1.00 1.13 H new ATOM 0 HZ PHE A 44 2.861 8.570 2.192 1.00 0.31 H new ATOM 676 N GLY A 45 7.596 8.726 9.190 1.00 0.29 N ATOM 677 CA GLY A 45 8.131 8.835 10.537 1.00 0.35 C ATOM 678 C GLY A 45 7.249 8.186 11.586 1.00 0.37 C ATOM 679 O GLY A 45 6.915 8.809 12.593 1.00 0.43 O ATOM 0 H GLY A 45 8.161 8.161 8.556 1.00 0.29 H new ATOM 0 HA2 GLY A 45 9.118 8.374 10.567 1.00 0.35 H new ATOM 0 HA3 GLY A 45 8.263 9.888 10.784 1.00 0.35 H new ATOM 683 N PHE A 46 6.884 6.934 11.368 1.00 0.36 N ATOM 684 CA PHE A 46 5.994 6.231 12.286 1.00 0.39 C ATOM 685 C PHE A 46 6.501 4.816 12.535 1.00 0.40 C ATOM 686 O PHE A 46 7.457 4.379 11.901 1.00 0.41 O ATOM 687 CB PHE A 46 4.563 6.197 11.726 1.00 0.37 C ATOM 688 CG PHE A 46 4.387 5.326 10.509 1.00 0.30 C ATOM 689 CD1 PHE A 46 4.909 5.701 9.282 1.00 1.17 C ATOM 690 CD2 PHE A 46 3.693 4.130 10.598 1.00 1.27 C ATOM 691 CE1 PHE A 46 4.742 4.901 8.168 1.00 1.18 C ATOM 692 CE2 PHE A 46 3.523 3.327 9.489 1.00 1.26 C ATOM 693 CZ PHE A 46 4.048 3.712 8.272 1.00 0.22 C ATOM 0 H PHE A 46 7.188 6.382 10.566 1.00 0.36 H new ATOM 0 HA PHE A 46 5.981 6.767 13.235 1.00 0.39 H new ATOM 0 HB2 PHE A 46 3.889 5.847 12.508 1.00 0.37 H new ATOM 0 HB3 PHE A 46 4.260 7.214 11.476 1.00 0.37 H new ATOM 0 HD1 PHE A 46 5.453 6.630 9.195 1.00 1.17 H new ATOM 0 HD2 PHE A 46 3.280 3.823 11.547 1.00 1.27 H new ATOM 0 HE1 PHE A 46 5.154 5.205 7.217 1.00 1.18 H new ATOM 0 HE2 PHE A 46 2.979 2.398 9.573 1.00 1.26 H new ATOM 0 HZ PHE A 46 3.916 3.085 7.403 1.00 0.22 H new ATOM 703 N GLU A 47 5.865 4.116 13.464 1.00 0.42 N ATOM 704 CA GLU A 47 6.216 2.734 13.769 1.00 0.44 C ATOM 705 C GLU A 47 5.147 1.795 13.233 1.00 0.40 C ATOM 706 O GLU A 47 3.972 2.156 13.173 1.00 0.39 O ATOM 707 CB GLU A 47 6.371 2.543 15.279 1.00 0.53 C ATOM 708 CG GLU A 47 7.616 3.202 15.852 1.00 0.59 C ATOM 709 CD GLU A 47 8.893 2.694 15.211 1.00 1.14 C ATOM 710 OE1 GLU A 47 9.370 1.608 15.599 1.00 1.56 O ATOM 711 OE2 GLU A 47 9.419 3.368 14.303 1.00 1.92 O ATOM 0 H GLU A 47 5.097 4.485 14.024 1.00 0.42 H new ATOM 0 HA GLU A 47 7.167 2.502 13.289 1.00 0.44 H new ATOM 0 HB2 GLU A 47 5.492 2.949 15.780 1.00 0.53 H new ATOM 0 HB3 GLU A 47 6.400 1.476 15.501 1.00 0.53 H new ATOM 0 HG2 GLU A 47 7.548 4.281 15.712 1.00 0.59 H new ATOM 0 HG3 GLU A 47 7.656 3.021 16.926 1.00 0.59 H new ATOM 718 N ARG A 48 5.545 0.575 12.876 1.00 0.41 N ATOM 719 CA ARG A 48 4.642 -0.360 12.213 1.00 0.40 C ATOM 720 C ARG A 48 3.735 -1.030 13.237 1.00 0.41 C ATOM 721 O ARG A 48 2.746 -1.667 12.884 1.00 0.43 O ATOM 722 CB ARG A 48 5.419 -1.443 11.441 1.00 0.44 C ATOM 723 CG ARG A 48 6.168 -0.958 10.198 1.00 0.61 C ATOM 724 CD ARG A 48 7.332 -0.039 10.542 1.00 0.91 C ATOM 725 NE ARG A 48 8.154 -0.570 11.630 1.00 1.18 N ATOM 726 CZ ARG A 48 8.810 0.195 12.502 1.00 1.88 C ATOM 727 NH1 ARG A 48 8.863 1.510 12.330 1.00 2.57 N ATOM 728 NH2 ARG A 48 9.436 -0.354 13.531 1.00 2.20 N ATOM 0 H ARG A 48 6.485 0.213 13.035 1.00 0.41 H new ATOM 0 HA ARG A 48 4.043 0.210 11.503 1.00 0.40 H new ATOM 0 HB2 ARG A 48 6.137 -1.903 12.120 1.00 0.44 H new ATOM 0 HB3 ARG A 48 4.719 -2.223 11.141 1.00 0.44 H new ATOM 0 HG2 ARG A 48 6.540 -1.819 9.643 1.00 0.61 H new ATOM 0 HG3 ARG A 48 5.475 -0.431 9.542 1.00 0.61 H new ATOM 0 HD2 ARG A 48 7.952 0.105 9.657 1.00 0.91 H new ATOM 0 HD3 ARG A 48 6.947 0.941 10.825 1.00 0.91 H new ATOM 0 HE ARG A 48 8.229 -1.583 11.726 1.00 1.18 H new ATOM 0 HH11 ARG A 48 8.401 1.939 11.528 1.00 2.57 H new ATOM 0 HH12 ARG A 48 9.366 2.092 13.000 1.00 2.57 H new ATOM 0 HH21 ARG A 48 9.417 -1.366 13.659 1.00 2.20 H new ATOM 0 HH22 ARG A 48 9.937 0.235 14.196 1.00 2.20 H new ATOM 742 N GLU A 49 4.091 -0.901 14.508 1.00 0.42 N ATOM 743 CA GLU A 49 3.308 -1.498 15.580 1.00 0.46 C ATOM 744 C GLU A 49 2.097 -0.637 15.912 1.00 0.42 C ATOM 745 O GLU A 49 1.109 -1.124 16.453 1.00 0.46 O ATOM 746 CB GLU A 49 4.167 -1.687 16.831 1.00 0.56 C ATOM 747 CG GLU A 49 5.414 -2.527 16.594 1.00 1.14 C ATOM 748 CD GLU A 49 5.108 -3.855 15.935 1.00 1.54 C ATOM 749 OE1 GLU A 49 4.515 -4.731 16.596 1.00 2.06 O ATOM 750 OE2 GLU A 49 5.457 -4.024 14.746 1.00 2.23 O ATOM 0 H GLU A 49 4.916 -0.389 14.821 1.00 0.42 H new ATOM 0 HA GLU A 49 2.960 -2.472 15.237 1.00 0.46 H new ATOM 0 HB2 GLU A 49 4.465 -0.709 17.208 1.00 0.56 H new ATOM 0 HB3 GLU A 49 3.564 -2.158 17.607 1.00 0.56 H new ATOM 0 HG2 GLU A 49 6.110 -1.968 15.969 1.00 1.14 H new ATOM 0 HG3 GLU A 49 5.913 -2.705 17.546 1.00 1.14 H new ATOM 757 N ALA A 50 2.169 0.641 15.567 1.00 0.40 N ATOM 758 CA ALA A 50 1.098 1.577 15.891 1.00 0.42 C ATOM 759 C ALA A 50 -0.008 1.557 14.841 1.00 0.37 C ATOM 760 O ALA A 50 -0.973 2.314 14.936 1.00 0.41 O ATOM 761 CB ALA A 50 1.660 2.982 16.038 1.00 0.48 C ATOM 0 H ALA A 50 2.955 1.054 15.064 1.00 0.40 H new ATOM 0 HA ALA A 50 0.658 1.264 16.838 1.00 0.42 H new ATOM 0 HB1 ALA A 50 0.853 3.673 16.280 1.00 0.48 H new ATOM 0 HB2 ALA A 50 2.401 2.996 16.837 1.00 0.48 H new ATOM 0 HB3 ALA A 50 2.130 3.286 15.102 1.00 0.48 H new ATOM 767 N VAL A 51 0.134 0.684 13.845 1.00 0.33 N ATOM 768 CA VAL A 51 -0.828 0.606 12.745 1.00 0.31 C ATOM 769 C VAL A 51 -2.260 0.426 13.237 1.00 0.36 C ATOM 770 O VAL A 51 -3.157 1.123 12.778 1.00 0.41 O ATOM 771 CB VAL A 51 -0.493 -0.525 11.750 1.00 0.29 C ATOM 772 CG1 VAL A 51 0.757 -0.183 10.960 1.00 0.27 C ATOM 773 CG2 VAL A 51 -0.329 -1.859 12.462 1.00 0.33 C ATOM 0 H VAL A 51 0.906 0.020 13.776 1.00 0.33 H new ATOM 0 HA VAL A 51 -0.750 1.563 12.229 1.00 0.31 H new ATOM 0 HB VAL A 51 -1.329 -0.620 11.057 1.00 0.29 H new ATOM 0 HG11 VAL A 51 0.979 -0.991 10.263 1.00 0.27 H new ATOM 0 HG12 VAL A 51 0.595 0.741 10.405 1.00 0.27 H new ATOM 0 HG13 VAL A 51 1.596 -0.053 11.644 1.00 0.27 H new ATOM 0 HG21 VAL A 51 -0.094 -2.634 11.733 1.00 0.33 H new ATOM 0 HG22 VAL A 51 0.480 -1.787 13.189 1.00 0.33 H new ATOM 0 HG23 VAL A 51 -1.256 -2.114 12.976 1.00 0.33 H new ATOM 783 N SER A 52 -2.469 -0.483 14.179 1.00 0.37 N ATOM 784 CA SER A 52 -3.807 -0.794 14.663 1.00 0.45 C ATOM 785 C SER A 52 -4.468 0.440 15.280 1.00 0.48 C ATOM 786 O SER A 52 -5.615 0.769 14.961 1.00 0.51 O ATOM 787 CB SER A 52 -3.728 -1.939 15.673 1.00 0.53 C ATOM 788 OG SER A 52 -2.634 -1.756 16.556 1.00 1.24 O ATOM 0 H SER A 52 -1.726 -1.020 14.625 1.00 0.37 H new ATOM 0 HA SER A 52 -4.426 -1.106 13.822 1.00 0.45 H new ATOM 0 HB2 SER A 52 -4.656 -1.992 16.242 1.00 0.53 H new ATOM 0 HB3 SER A 52 -3.622 -2.888 15.147 1.00 0.53 H new ATOM 0 HG SER A 52 -2.602 -2.498 17.195 1.00 1.24 H new ATOM 794 N GLY A 53 -3.732 1.105 16.163 1.00 0.51 N ATOM 795 CA GLY A 53 -4.197 2.349 16.754 1.00 0.57 C ATOM 796 C GLY A 53 -4.543 3.410 15.723 1.00 0.55 C ATOM 797 O GLY A 53 -5.514 4.151 15.889 1.00 0.59 O ATOM 0 H GLY A 53 -2.812 0.802 16.484 1.00 0.51 H new ATOM 0 HA2 GLY A 53 -5.076 2.146 17.366 1.00 0.57 H new ATOM 0 HA3 GLY A 53 -3.427 2.737 17.421 1.00 0.57 H new ATOM 801 N ILE A 54 -3.759 3.489 14.654 1.00 0.50 N ATOM 802 CA ILE A 54 -3.996 4.482 13.611 1.00 0.51 C ATOM 803 C ILE A 54 -5.168 4.066 12.723 1.00 0.50 C ATOM 804 O ILE A 54 -6.017 4.883 12.369 1.00 0.57 O ATOM 805 CB ILE A 54 -2.742 4.705 12.735 1.00 0.49 C ATOM 806 CG1 ILE A 54 -1.546 5.098 13.607 1.00 0.48 C ATOM 807 CG2 ILE A 54 -3.013 5.780 11.690 1.00 0.55 C ATOM 808 CD1 ILE A 54 -0.251 5.255 12.837 1.00 0.49 C ATOM 0 H ILE A 54 -2.957 2.881 14.486 1.00 0.50 H new ATOM 0 HA ILE A 54 -4.236 5.419 14.113 1.00 0.51 H new ATOM 0 HB ILE A 54 -2.505 3.773 12.222 1.00 0.49 H new ATOM 0 HG12 ILE A 54 -1.771 6.036 14.115 1.00 0.48 H new ATOM 0 HG13 ILE A 54 -1.408 4.342 14.380 1.00 0.48 H new ATOM 0 HG21 ILE A 54 -2.122 5.927 11.080 1.00 0.55 H new ATOM 0 HG22 ILE A 54 -3.841 5.468 11.054 1.00 0.55 H new ATOM 0 HG23 ILE A 54 -3.270 6.715 12.188 1.00 0.55 H new ATOM 0 HD11 ILE A 54 0.549 5.534 13.523 1.00 0.49 H new ATOM 0 HD12 ILE A 54 0.000 4.312 12.351 1.00 0.49 H new ATOM 0 HD13 ILE A 54 -0.369 6.032 12.082 1.00 0.49 H new ATOM 820 N LEU A 55 -5.203 2.791 12.360 1.00 0.47 N ATOM 821 CA LEU A 55 -6.291 2.256 11.545 1.00 0.48 C ATOM 822 C LEU A 55 -7.634 2.412 12.252 1.00 0.55 C ATOM 823 O LEU A 55 -8.645 2.696 11.616 1.00 0.65 O ATOM 824 CB LEU A 55 -6.037 0.787 11.196 1.00 0.48 C ATOM 825 CG LEU A 55 -4.743 0.525 10.420 1.00 0.46 C ATOM 826 CD1 LEU A 55 -4.649 -0.932 10.007 1.00 0.52 C ATOM 827 CD2 LEU A 55 -4.649 1.438 9.207 1.00 0.46 C ATOM 0 H LEU A 55 -4.492 2.106 12.616 1.00 0.47 H new ATOM 0 HA LEU A 55 -6.327 2.829 10.619 1.00 0.48 H new ATOM 0 HB2 LEU A 55 -6.014 0.208 12.119 1.00 0.48 H new ATOM 0 HB3 LEU A 55 -6.877 0.417 10.609 1.00 0.48 H new ATOM 0 HG LEU A 55 -3.902 0.745 11.077 1.00 0.46 H new ATOM 0 HD11 LEU A 55 -3.722 -1.095 9.457 1.00 0.52 H new ATOM 0 HD12 LEU A 55 -4.660 -1.563 10.895 1.00 0.52 H new ATOM 0 HD13 LEU A 55 -5.497 -1.185 9.371 1.00 0.52 H new ATOM 0 HD21 LEU A 55 -3.722 1.235 8.670 1.00 0.46 H new ATOM 0 HD22 LEU A 55 -5.498 1.256 8.548 1.00 0.46 H new ATOM 0 HD23 LEU A 55 -4.659 2.478 9.533 1.00 0.46 H new ATOM 1167 N LYS B 5 -2.467 -10.454 -4.019 1.00 0.41 N ATOM 1168 CA LYS B 5 -1.485 -9.581 -3.383 1.00 0.36 C ATOM 1169 C LYS B 5 -0.670 -8.793 -4.404 1.00 0.27 C ATOM 1170 O LYS B 5 -0.213 -7.688 -4.116 1.00 0.25 O ATOM 1171 CB LYS B 5 -0.559 -10.385 -2.459 1.00 0.42 C ATOM 1172 CG LYS B 5 0.214 -11.499 -3.149 1.00 0.41 C ATOM 1173 CD LYS B 5 1.183 -12.175 -2.189 1.00 0.54 C ATOM 1174 CE LYS B 5 2.064 -13.199 -2.894 1.00 0.73 C ATOM 1175 NZ LYS B 5 1.275 -14.310 -3.490 1.00 1.14 N ATOM 0 HA LYS B 5 -2.039 -8.859 -2.783 1.00 0.36 H new ATOM 0 HB2 LYS B 5 0.152 -9.701 -1.995 1.00 0.42 H new ATOM 0 HB3 LYS B 5 -1.156 -10.818 -1.656 1.00 0.42 H new ATOM 0 HG2 LYS B 5 -0.483 -12.237 -3.545 1.00 0.41 H new ATOM 0 HG3 LYS B 5 0.764 -11.092 -3.998 1.00 0.41 H new ATOM 0 HD2 LYS B 5 1.812 -11.420 -1.717 1.00 0.54 H new ATOM 0 HD3 LYS B 5 0.622 -12.666 -1.394 1.00 0.54 H new ATOM 0 HE2 LYS B 5 2.638 -12.703 -3.677 1.00 0.73 H new ATOM 0 HE3 LYS B 5 2.782 -13.607 -2.183 1.00 0.73 H new ATOM 0 HZ1 LYS B 5 1.922 -15.023 -3.884 1.00 1.14 H new ATOM 0 HZ2 LYS B 5 0.683 -14.748 -2.756 1.00 1.14 H new ATOM 0 HZ3 LYS B 5 0.668 -13.937 -4.248 1.00 1.14 H new ATOM 1189 N GLU B 6 -0.485 -9.365 -5.587 1.00 0.29 N ATOM 1190 CA GLU B 6 0.205 -8.678 -6.674 1.00 0.36 C ATOM 1191 C GLU B 6 -0.619 -7.484 -7.153 1.00 0.38 C ATOM 1192 O GLU B 6 -0.092 -6.390 -7.366 1.00 0.40 O ATOM 1193 CB GLU B 6 0.450 -9.651 -7.830 1.00 0.49 C ATOM 1194 CG GLU B 6 1.217 -9.047 -8.992 1.00 0.99 C ATOM 1195 CD GLU B 6 1.408 -10.027 -10.129 1.00 1.46 C ATOM 1196 OE1 GLU B 6 2.382 -10.810 -10.090 1.00 2.11 O ATOM 1197 OE2 GLU B 6 0.586 -10.022 -11.067 1.00 2.00 O ATOM 0 H GLU B 6 -0.804 -10.306 -5.820 1.00 0.29 H new ATOM 0 HA GLU B 6 1.165 -8.312 -6.309 1.00 0.36 H new ATOM 0 HB2 GLU B 6 0.999 -10.514 -7.455 1.00 0.49 H new ATOM 0 HB3 GLU B 6 -0.510 -10.017 -8.193 1.00 0.49 H new ATOM 0 HG2 GLU B 6 0.685 -8.169 -9.358 1.00 0.99 H new ATOM 0 HG3 GLU B 6 2.191 -8.706 -8.642 1.00 0.99 H new ATOM 1204 N GLU B 7 -1.917 -7.708 -7.303 1.00 0.41 N ATOM 1205 CA GLU B 7 -2.841 -6.668 -7.742 1.00 0.48 C ATOM 1206 C GLU B 7 -2.881 -5.524 -6.737 1.00 0.40 C ATOM 1207 O GLU B 7 -2.888 -4.350 -7.110 1.00 0.39 O ATOM 1208 CB GLU B 7 -4.238 -7.255 -7.918 1.00 0.61 C ATOM 1209 CG GLU B 7 -4.270 -8.468 -8.829 1.00 0.74 C ATOM 1210 CD GLU B 7 -5.636 -9.113 -8.887 1.00 0.95 C ATOM 1211 OE1 GLU B 7 -6.311 -9.186 -7.834 1.00 1.25 O ATOM 1212 OE2 GLU B 7 -6.041 -9.556 -9.984 1.00 1.68 O ATOM 0 H GLU B 7 -2.359 -8.610 -7.125 1.00 0.41 H new ATOM 0 HA GLU B 7 -2.492 -6.276 -8.697 1.00 0.48 H new ATOM 0 HB2 GLU B 7 -4.633 -7.533 -6.941 1.00 0.61 H new ATOM 0 HB3 GLU B 7 -4.898 -6.488 -8.323 1.00 0.61 H new ATOM 0 HG2 GLU B 7 -3.969 -8.172 -9.834 1.00 0.74 H new ATOM 0 HG3 GLU B 7 -3.541 -9.199 -8.480 1.00 0.74 H new ATOM 1219 N ILE B 8 -2.900 -5.877 -5.459 1.00 0.37 N ATOM 1220 CA ILE B 8 -2.908 -4.884 -4.396 1.00 0.35 C ATOM 1221 C ILE B 8 -1.588 -4.120 -4.371 1.00 0.27 C ATOM 1222 O ILE B 8 -1.571 -2.906 -4.180 1.00 0.24 O ATOM 1223 CB ILE B 8 -3.175 -5.527 -3.018 1.00 0.39 C ATOM 1224 CG1 ILE B 8 -4.517 -6.269 -3.040 1.00 0.54 C ATOM 1225 CG2 ILE B 8 -3.165 -4.467 -1.920 1.00 0.42 C ATOM 1226 CD1 ILE B 8 -4.847 -6.984 -1.749 1.00 0.96 C ATOM 0 H ILE B 8 -2.910 -6.844 -5.134 1.00 0.37 H new ATOM 0 HA ILE B 8 -3.720 -4.188 -4.603 1.00 0.35 H new ATOM 0 HB ILE B 8 -2.381 -6.243 -2.804 1.00 0.39 H new ATOM 0 HG12 ILE B 8 -5.311 -5.556 -3.261 1.00 0.54 H new ATOM 0 HG13 ILE B 8 -4.505 -6.995 -3.853 1.00 0.54 H new ATOM 0 HG21 ILE B 8 -3.355 -4.940 -0.956 1.00 0.42 H new ATOM 0 HG22 ILE B 8 -2.192 -3.975 -1.898 1.00 0.42 H new ATOM 0 HG23 ILE B 8 -3.941 -3.728 -2.121 1.00 0.42 H new ATOM 0 HD11 ILE B 8 -5.811 -7.484 -1.846 1.00 0.96 H new ATOM 0 HD12 ILE B 8 -4.075 -7.723 -1.535 1.00 0.96 H new ATOM 0 HD13 ILE B 8 -4.893 -6.261 -0.934 1.00 0.96 H new ATOM 1238 N ALA B 9 -0.484 -4.832 -4.580 1.00 0.24 N ATOM 1239 CA ALA B 9 0.832 -4.204 -4.667 1.00 0.20 C ATOM 1240 C ALA B 9 0.862 -3.147 -5.766 1.00 0.19 C ATOM 1241 O ALA B 9 1.439 -2.073 -5.588 1.00 0.16 O ATOM 1242 CB ALA B 9 1.902 -5.252 -4.917 1.00 0.21 C ATOM 0 H ALA B 9 -0.474 -5.846 -4.692 1.00 0.24 H new ATOM 0 HA ALA B 9 1.035 -3.712 -3.716 1.00 0.20 H new ATOM 0 HB1 ALA B 9 2.877 -4.769 -4.979 1.00 0.21 H new ATOM 0 HB2 ALA B 9 1.905 -5.971 -4.098 1.00 0.21 H new ATOM 0 HB3 ALA B 9 1.693 -5.769 -5.853 1.00 0.21 H new ATOM 1248 N ALA B 10 0.235 -3.459 -6.898 1.00 0.23 N ATOM 1249 CA ALA B 10 0.124 -2.512 -8.000 1.00 0.25 C ATOM 1250 C ALA B 10 -0.608 -1.252 -7.551 1.00 0.23 C ATOM 1251 O ALA B 10 -0.199 -0.135 -7.865 1.00 0.22 O ATOM 1252 CB ALA B 10 -0.595 -3.152 -9.178 1.00 0.33 C ATOM 0 H ALA B 10 -0.204 -4.363 -7.074 1.00 0.23 H new ATOM 0 HA ALA B 10 1.129 -2.232 -8.317 1.00 0.25 H new ATOM 0 HB1 ALA B 10 -0.670 -2.432 -9.993 1.00 0.33 H new ATOM 0 HB2 ALA B 10 -0.036 -4.025 -9.515 1.00 0.33 H new ATOM 0 HB3 ALA B 10 -1.595 -3.458 -8.871 1.00 0.33 H new ATOM 1258 N LEU B 11 -1.683 -1.445 -6.800 1.00 0.27 N ATOM 1259 CA LEU B 11 -2.452 -0.336 -6.251 1.00 0.29 C ATOM 1260 C LEU B 11 -1.569 0.485 -5.314 1.00 0.26 C ATOM 1261 O LEU B 11 -1.534 1.711 -5.381 1.00 0.29 O ATOM 1262 CB LEU B 11 -3.682 -0.895 -5.503 1.00 0.38 C ATOM 1263 CG LEU B 11 -4.789 0.100 -5.105 1.00 0.75 C ATOM 1264 CD1 LEU B 11 -4.343 1.034 -3.989 1.00 1.56 C ATOM 1265 CD2 LEU B 11 -5.253 0.895 -6.312 1.00 0.63 C ATOM 0 H LEU B 11 -2.045 -2.367 -6.555 1.00 0.27 H new ATOM 0 HA LEU B 11 -2.797 0.316 -7.054 1.00 0.29 H new ATOM 0 HB2 LEU B 11 -4.133 -1.666 -6.127 1.00 0.38 H new ATOM 0 HB3 LEU B 11 -3.329 -1.385 -4.596 1.00 0.38 H new ATOM 0 HG LEU B 11 -5.627 -0.484 -4.725 1.00 0.75 H new ATOM 0 HD11 LEU B 11 -5.155 1.718 -3.741 1.00 1.56 H new ATOM 0 HD12 LEU B 11 -4.080 0.449 -3.108 1.00 1.56 H new ATOM 0 HD13 LEU B 11 -3.475 1.605 -4.318 1.00 1.56 H new ATOM 0 HD21 LEU B 11 -6.035 1.592 -6.010 1.00 0.63 H new ATOM 0 HD22 LEU B 11 -4.412 1.451 -6.727 1.00 0.63 H new ATOM 0 HD23 LEU B 11 -5.646 0.214 -7.067 1.00 0.63 H new ATOM 1277 N ILE B 12 -0.837 -0.217 -4.464 1.00 0.21 N ATOM 1278 CA ILE B 12 0.007 0.408 -3.456 1.00 0.20 C ATOM 1279 C ILE B 12 1.109 1.267 -4.079 1.00 0.18 C ATOM 1280 O ILE B 12 1.318 2.410 -3.664 1.00 0.20 O ATOM 1281 CB ILE B 12 0.622 -0.665 -2.533 1.00 0.18 C ATOM 1282 CG1 ILE B 12 -0.490 -1.350 -1.732 1.00 0.22 C ATOM 1283 CG2 ILE B 12 1.660 -0.054 -1.605 1.00 0.20 C ATOM 1284 CD1 ILE B 12 -0.031 -2.554 -0.941 1.00 0.24 C ATOM 0 H ILE B 12 -0.811 -1.237 -4.453 1.00 0.21 H new ATOM 0 HA ILE B 12 -0.627 1.070 -2.866 1.00 0.20 H new ATOM 0 HB ILE B 12 1.128 -1.410 -3.146 1.00 0.18 H new ATOM 0 HG12 ILE B 12 -0.929 -0.625 -1.047 1.00 0.22 H new ATOM 0 HG13 ILE B 12 -1.279 -1.659 -2.418 1.00 0.22 H new ATOM 0 HG21 ILE B 12 2.078 -0.831 -0.965 1.00 0.20 H new ATOM 0 HG22 ILE B 12 2.457 0.397 -2.197 1.00 0.20 H new ATOM 0 HG23 ILE B 12 1.190 0.711 -0.987 1.00 0.20 H new ATOM 0 HD11 ILE B 12 -0.878 -2.980 -0.403 1.00 0.24 H new ATOM 0 HD12 ILE B 12 0.380 -3.301 -1.620 1.00 0.24 H new ATOM 0 HD13 ILE B 12 0.736 -2.250 -0.228 1.00 0.24 H new ATOM 1296 N VAL B 13 1.808 0.738 -5.076 1.00 0.16 N ATOM 1297 CA VAL B 13 2.879 1.495 -5.713 1.00 0.16 C ATOM 1298 C VAL B 13 2.314 2.649 -6.541 1.00 0.16 C ATOM 1299 O VAL B 13 2.900 3.727 -6.588 1.00 0.18 O ATOM 1300 CB VAL B 13 3.801 0.614 -6.589 1.00 0.15 C ATOM 1301 CG1 VAL B 13 4.523 -0.417 -5.735 1.00 0.16 C ATOM 1302 CG2 VAL B 13 3.027 -0.070 -7.702 1.00 0.14 C ATOM 0 H VAL B 13 1.657 -0.196 -5.456 1.00 0.16 H new ATOM 0 HA VAL B 13 3.491 1.897 -4.905 1.00 0.16 H new ATOM 0 HB VAL B 13 4.540 1.268 -7.051 1.00 0.15 H new ATOM 0 HG11 VAL B 13 5.167 -1.027 -6.368 1.00 0.16 H new ATOM 0 HG12 VAL B 13 5.129 0.092 -4.985 1.00 0.16 H new ATOM 0 HG13 VAL B 13 3.792 -1.055 -5.239 1.00 0.16 H new ATOM 0 HG21 VAL B 13 3.707 -0.680 -8.296 1.00 0.14 H new ATOM 0 HG22 VAL B 13 2.253 -0.705 -7.270 1.00 0.14 H new ATOM 0 HG23 VAL B 13 2.564 0.683 -8.339 1.00 0.14 H new ATOM 1312 N ASN B 14 1.166 2.426 -7.175 1.00 0.18 N ATOM 1313 CA ASN B 14 0.490 3.486 -7.921 1.00 0.21 C ATOM 1314 C ASN B 14 0.071 4.602 -6.971 1.00 0.19 C ATOM 1315 O ASN B 14 0.135 5.788 -7.306 1.00 0.20 O ATOM 1316 CB ASN B 14 -0.736 2.938 -8.652 1.00 0.30 C ATOM 1317 CG ASN B 14 -1.354 3.952 -9.600 1.00 0.42 C ATOM 1318 OD1 ASN B 14 -0.658 4.782 -10.187 1.00 0.45 O ATOM 1319 ND2 ASN B 14 -2.666 3.895 -9.751 1.00 0.57 N ATOM 0 H ASN B 14 0.686 1.526 -7.188 1.00 0.18 H new ATOM 0 HA ASN B 14 1.184 3.883 -8.662 1.00 0.21 H new ATOM 0 HB2 ASN B 14 -0.452 2.048 -9.213 1.00 0.30 H new ATOM 0 HB3 ASN B 14 -1.482 2.629 -7.920 1.00 0.30 H new ATOM 0 HD21 ASN B 14 -3.137 4.553 -10.372 1.00 0.57 H new ATOM 0 HD22 ASN B 14 -3.207 3.193 -9.247 1.00 0.57 H new ATOM 1326 N TYR B 15 -0.341 4.202 -5.776 1.00 0.22 N ATOM 1327 CA TYR B 15 -0.696 5.141 -4.725 1.00 0.24 C ATOM 1328 C TYR B 15 0.494 6.026 -4.374 1.00 0.21 C ATOM 1329 O TYR B 15 0.389 7.253 -4.395 1.00 0.23 O ATOM 1330 CB TYR B 15 -1.186 4.388 -3.483 1.00 0.29 C ATOM 1331 CG TYR B 15 -1.338 5.264 -2.262 1.00 0.38 C ATOM 1332 CD1 TYR B 15 -2.438 6.096 -2.111 1.00 1.19 C ATOM 1333 CD2 TYR B 15 -0.374 5.262 -1.262 1.00 1.30 C ATOM 1334 CE1 TYR B 15 -2.571 6.902 -0.998 1.00 1.21 C ATOM 1335 CE2 TYR B 15 -0.502 6.063 -0.147 1.00 1.39 C ATOM 1336 CZ TYR B 15 -1.600 6.882 -0.020 1.00 0.64 C ATOM 1337 OH TYR B 15 -1.729 7.682 1.088 1.00 0.79 O ATOM 0 H TYR B 15 -0.438 3.222 -5.510 1.00 0.22 H new ATOM 0 HA TYR B 15 -1.503 5.778 -5.088 1.00 0.24 H new ATOM 0 HB2 TYR B 15 -2.146 3.922 -3.707 1.00 0.29 H new ATOM 0 HB3 TYR B 15 -0.486 3.584 -3.257 1.00 0.29 H new ATOM 0 HD1 TYR B 15 -3.201 6.113 -2.875 1.00 1.19 H new ATOM 0 HD2 TYR B 15 0.491 4.622 -1.359 1.00 1.30 H new ATOM 0 HE1 TYR B 15 -3.432 7.545 -0.894 1.00 1.21 H new ATOM 0 HE2 TYR B 15 0.256 6.048 0.622 1.00 1.39 H new ATOM 0 HH TYR B 15 -0.960 7.547 1.680 1.00 0.79 H new ATOM 1347 N PHE B 16 1.629 5.403 -4.067 1.00 0.20 N ATOM 1348 CA PHE B 16 2.830 6.152 -3.714 1.00 0.20 C ATOM 1349 C PHE B 16 3.322 6.979 -4.893 1.00 0.19 C ATOM 1350 O PHE B 16 3.870 8.064 -4.703 1.00 0.20 O ATOM 1351 CB PHE B 16 3.948 5.228 -3.221 1.00 0.20 C ATOM 1352 CG PHE B 16 3.685 4.603 -1.875 1.00 0.20 C ATOM 1353 CD1 PHE B 16 3.293 5.382 -0.794 1.00 0.91 C ATOM 1354 CD2 PHE B 16 3.845 3.239 -1.685 1.00 1.04 C ATOM 1355 CE1 PHE B 16 3.065 4.812 0.443 1.00 0.91 C ATOM 1356 CE2 PHE B 16 3.617 2.667 -0.450 1.00 1.04 C ATOM 1357 CZ PHE B 16 3.226 3.453 0.615 1.00 0.22 C ATOM 0 H PHE B 16 1.741 4.389 -4.056 1.00 0.20 H new ATOM 0 HA PHE B 16 2.561 6.824 -2.899 1.00 0.20 H new ATOM 0 HB2 PHE B 16 4.098 4.435 -3.954 1.00 0.20 H new ATOM 0 HB3 PHE B 16 4.877 5.796 -3.170 1.00 0.20 H new ATOM 0 HD1 PHE B 16 3.165 6.447 -0.922 1.00 0.91 H new ATOM 0 HD2 PHE B 16 4.152 2.617 -2.513 1.00 1.04 H new ATOM 0 HE1 PHE B 16 2.761 5.430 1.275 1.00 0.91 H new ATOM 0 HE2 PHE B 16 3.745 1.603 -0.317 1.00 1.04 H new ATOM 0 HZ PHE B 16 3.046 3.005 1.581 1.00 0.22 H new ATOM 1367 N SER B 17 3.118 6.474 -6.105 1.00 0.19 N ATOM 1368 CA SER B 17 3.452 7.228 -7.304 1.00 0.20 C ATOM 1369 C SER B 17 2.652 8.526 -7.335 1.00 0.20 C ATOM 1370 O SER B 17 3.213 9.607 -7.492 1.00 0.24 O ATOM 1371 CB SER B 17 3.175 6.397 -8.559 1.00 0.21 C ATOM 1372 OG SER B 17 3.956 5.212 -8.570 1.00 0.90 O ATOM 0 H SER B 17 2.725 5.550 -6.281 1.00 0.19 H new ATOM 0 HA SER B 17 4.515 7.467 -7.285 1.00 0.20 H new ATOM 0 HB2 SER B 17 2.117 6.139 -8.602 1.00 0.21 H new ATOM 0 HB3 SER B 17 3.395 6.989 -9.447 1.00 0.21 H new ATOM 0 HG SER B 17 3.692 4.639 -7.820 1.00 0.90 H new ATOM 1378 N SER B 18 1.343 8.411 -7.136 1.00 0.24 N ATOM 1379 CA SER B 18 0.463 9.571 -7.072 1.00 0.25 C ATOM 1380 C SER B 18 0.926 10.543 -5.983 1.00 0.25 C ATOM 1381 O SER B 18 0.795 11.764 -6.118 1.00 0.29 O ATOM 1382 CB SER B 18 -0.974 9.108 -6.803 1.00 0.26 C ATOM 1383 OG SER B 18 -1.864 10.205 -6.675 1.00 0.84 O ATOM 0 H SER B 18 0.866 7.518 -7.015 1.00 0.24 H new ATOM 0 HA SER B 18 0.498 10.096 -8.027 1.00 0.25 H new ATOM 0 HB2 SER B 18 -1.307 8.463 -7.616 1.00 0.26 H new ATOM 0 HB3 SER B 18 -0.999 8.511 -5.891 1.00 0.26 H new ATOM 0 HG SER B 18 -2.770 9.873 -6.506 1.00 0.84 H new ATOM 1389 N ILE B 19 1.481 9.997 -4.910 1.00 0.23 N ATOM 1390 CA ILE B 19 1.959 10.808 -3.803 1.00 0.24 C ATOM 1391 C ILE B 19 3.233 11.565 -4.183 1.00 0.25 C ATOM 1392 O ILE B 19 3.305 12.783 -4.026 1.00 0.28 O ATOM 1393 CB ILE B 19 2.230 9.947 -2.545 1.00 0.24 C ATOM 1394 CG1 ILE B 19 0.951 9.234 -2.092 1.00 0.25 C ATOM 1395 CG2 ILE B 19 2.791 10.795 -1.410 1.00 0.27 C ATOM 1396 CD1 ILE B 19 -0.186 10.172 -1.748 1.00 0.27 C ATOM 0 H ILE B 19 1.611 8.993 -4.784 1.00 0.23 H new ATOM 0 HA ILE B 19 1.172 11.526 -3.574 1.00 0.24 H new ATOM 0 HB ILE B 19 2.974 9.196 -2.809 1.00 0.24 H new ATOM 0 HG12 ILE B 19 0.625 8.558 -2.882 1.00 0.25 H new ATOM 0 HG13 ILE B 19 1.178 8.620 -1.221 1.00 0.25 H new ATOM 0 HG21 ILE B 19 2.972 10.164 -0.540 1.00 0.27 H new ATOM 0 HG22 ILE B 19 3.728 11.253 -1.727 1.00 0.27 H new ATOM 0 HG23 ILE B 19 2.075 11.575 -1.151 1.00 0.27 H new ATOM 0 HD11 ILE B 19 -1.055 9.592 -1.437 1.00 0.27 H new ATOM 0 HD12 ILE B 19 0.120 10.832 -0.936 1.00 0.27 H new ATOM 0 HD13 ILE B 19 -0.443 10.769 -2.623 1.00 0.27 H new ATOM 1408 N VAL B 20 4.225 10.850 -4.700 1.00 0.25 N ATOM 1409 CA VAL B 20 5.524 11.452 -4.982 1.00 0.28 C ATOM 1410 C VAL B 20 5.489 12.352 -6.221 1.00 0.33 C ATOM 1411 O VAL B 20 6.062 13.440 -6.213 1.00 0.34 O ATOM 1412 CB VAL B 20 6.633 10.383 -5.132 1.00 0.28 C ATOM 1413 CG1 VAL B 20 6.779 9.588 -3.845 1.00 0.26 C ATOM 1414 CG2 VAL B 20 6.362 9.447 -6.303 1.00 0.30 C ATOM 0 H VAL B 20 4.157 9.859 -4.932 1.00 0.25 H new ATOM 0 HA VAL B 20 5.762 12.076 -4.120 1.00 0.28 H new ATOM 0 HB VAL B 20 7.567 10.906 -5.337 1.00 0.28 H new ATOM 0 HG11 VAL B 20 7.563 8.840 -3.966 1.00 0.26 H new ATOM 0 HG12 VAL B 20 7.043 10.261 -3.029 1.00 0.26 H new ATOM 0 HG13 VAL B 20 5.836 9.092 -3.615 1.00 0.26 H new ATOM 0 HG21 VAL B 20 7.163 8.712 -6.374 1.00 0.30 H new ATOM 0 HG22 VAL B 20 5.412 8.935 -6.147 1.00 0.30 H new ATOM 0 HG23 VAL B 20 6.316 10.024 -7.227 1.00 0.30 H new ATOM 1424 N GLU B 21 4.808 11.907 -7.274 1.00 0.39 N ATOM 1425 CA GLU B 21 4.721 12.680 -8.512 1.00 0.49 C ATOM 1426 C GLU B 21 4.026 14.020 -8.285 1.00 0.49 C ATOM 1427 O GLU B 21 4.419 15.036 -8.853 1.00 0.53 O ATOM 1428 CB GLU B 21 3.987 11.885 -9.593 1.00 0.60 C ATOM 1429 CG GLU B 21 4.689 10.593 -9.984 1.00 1.24 C ATOM 1430 CD GLU B 21 3.966 9.853 -11.091 1.00 1.84 C ATOM 1431 OE1 GLU B 21 2.889 9.278 -10.828 1.00 2.49 O ATOM 1432 OE2 GLU B 21 4.468 9.856 -12.234 1.00 2.40 O ATOM 0 H GLU B 21 4.309 11.018 -7.296 1.00 0.39 H new ATOM 0 HA GLU B 21 5.739 12.878 -8.848 1.00 0.49 H new ATOM 0 HB2 GLU B 21 2.983 11.650 -9.240 1.00 0.60 H new ATOM 0 HB3 GLU B 21 3.876 12.510 -10.479 1.00 0.60 H new ATOM 0 HG2 GLU B 21 5.706 10.819 -10.306 1.00 1.24 H new ATOM 0 HG3 GLU B 21 4.767 9.947 -9.110 1.00 1.24 H new ATOM 1439 N LYS B 22 3.003 14.020 -7.437 1.00 0.47 N ATOM 1440 CA LYS B 22 2.281 15.250 -7.129 1.00 0.50 C ATOM 1441 C LYS B 22 2.894 15.964 -5.927 1.00 0.43 C ATOM 1442 O LYS B 22 2.422 17.023 -5.509 1.00 0.44 O ATOM 1443 CB LYS B 22 0.795 14.976 -6.884 1.00 0.58 C ATOM 1444 CG LYS B 22 0.051 14.527 -8.133 1.00 0.68 C ATOM 1445 CD LYS B 22 -1.460 14.487 -7.925 1.00 0.81 C ATOM 1446 CE LYS B 22 -1.924 13.235 -7.190 1.00 0.72 C ATOM 1447 NZ LYS B 22 -1.534 13.219 -5.757 1.00 1.41 N ATOM 0 H LYS B 22 2.657 13.191 -6.954 1.00 0.47 H new ATOM 0 HA LYS B 22 2.369 15.903 -7.997 1.00 0.50 H new ATOM 0 HB2 LYS B 22 0.696 14.209 -6.116 1.00 0.58 H new ATOM 0 HB3 LYS B 22 0.326 15.880 -6.495 1.00 0.58 H new ATOM 0 HG2 LYS B 22 0.284 15.204 -8.955 1.00 0.68 H new ATOM 0 HG3 LYS B 22 0.401 13.537 -8.426 1.00 0.68 H new ATOM 0 HD2 LYS B 22 -1.768 15.368 -7.362 1.00 0.81 H new ATOM 0 HD3 LYS B 22 -1.957 14.539 -8.894 1.00 0.81 H new ATOM 0 HE2 LYS B 22 -3.009 13.158 -7.265 1.00 0.72 H new ATOM 0 HE3 LYS B 22 -1.507 12.357 -7.683 1.00 0.72 H new ATOM 0 HZ1 LYS B 22 -2.296 12.789 -5.195 1.00 1.41 H new ATOM 0 HZ2 LYS B 22 -0.662 12.664 -5.641 1.00 1.41 H new ATOM 0 HZ3 LYS B 22 -1.370 14.193 -5.431 1.00 1.41 H new ATOM 1461 N LYS B 23 3.954 15.359 -5.389 1.00 0.37 N ATOM 1462 CA LYS B 23 4.698 15.901 -4.254 1.00 0.32 C ATOM 1463 C LYS B 23 3.787 16.164 -3.063 1.00 0.36 C ATOM 1464 O LYS B 23 3.805 17.242 -2.472 1.00 0.41 O ATOM 1465 CB LYS B 23 5.455 17.173 -4.649 1.00 0.36 C ATOM 1466 CG LYS B 23 6.560 16.925 -5.660 1.00 0.42 C ATOM 1467 CD LYS B 23 7.396 18.172 -5.892 1.00 0.57 C ATOM 1468 CE LYS B 23 8.548 17.894 -6.842 1.00 1.21 C ATOM 1469 NZ LYS B 23 9.415 19.086 -7.021 1.00 1.79 N ATOM 0 H LYS B 23 4.322 14.472 -5.732 1.00 0.37 H new ATOM 0 HA LYS B 23 5.428 15.149 -3.954 1.00 0.32 H new ATOM 0 HB2 LYS B 23 4.749 17.894 -5.062 1.00 0.36 H new ATOM 0 HB3 LYS B 23 5.885 17.624 -3.755 1.00 0.36 H new ATOM 0 HG2 LYS B 23 7.201 16.117 -5.308 1.00 0.42 H new ATOM 0 HG3 LYS B 23 6.124 16.598 -6.604 1.00 0.42 H new ATOM 0 HD2 LYS B 23 6.767 18.963 -6.301 1.00 0.57 H new ATOM 0 HD3 LYS B 23 7.785 18.534 -4.940 1.00 0.57 H new ATOM 0 HE2 LYS B 23 9.144 17.066 -6.458 1.00 1.21 H new ATOM 0 HE3 LYS B 23 8.154 17.582 -7.809 1.00 1.21 H new ATOM 0 HZ1 LYS B 23 10.190 18.857 -7.676 1.00 1.79 H new ATOM 0 HZ2 LYS B 23 8.852 19.869 -7.411 1.00 1.79 H new ATOM 0 HZ3 LYS B 23 9.811 19.368 -6.102 1.00 1.79 H new ATOM 1483 N GLU B 24 2.998 15.161 -2.710 1.00 0.38 N ATOM 1484 CA GLU B 24 2.089 15.260 -1.578 1.00 0.46 C ATOM 1485 C GLU B 24 2.853 15.023 -0.280 1.00 0.40 C ATOM 1486 O GLU B 24 2.317 15.193 0.814 1.00 0.44 O ATOM 1487 CB GLU B 24 0.962 14.232 -1.713 1.00 0.57 C ATOM 1488 CG GLU B 24 0.292 14.223 -3.084 1.00 0.85 C ATOM 1489 CD GLU B 24 -0.555 15.451 -3.362 1.00 1.09 C ATOM 1490 OE1 GLU B 24 -0.177 16.560 -2.937 1.00 1.84 O ATOM 1491 OE2 GLU B 24 -1.595 15.308 -4.043 1.00 1.66 O ATOM 0 H GLU B 24 2.969 14.264 -3.194 1.00 0.38 H new ATOM 0 HA GLU B 24 1.654 16.259 -1.562 1.00 0.46 H new ATOM 0 HB2 GLU B 24 1.363 13.239 -1.509 1.00 0.57 H new ATOM 0 HB3 GLU B 24 0.208 14.433 -0.952 1.00 0.57 H new ATOM 0 HG2 GLU B 24 1.061 14.142 -3.853 1.00 0.85 H new ATOM 0 HG3 GLU B 24 -0.335 13.335 -3.165 1.00 0.85 H new ATOM 1498 N ILE B 25 4.110 14.625 -0.421 1.00 0.36 N ATOM 1499 CA ILE B 25 4.964 14.334 0.718 1.00 0.33 C ATOM 1500 C ILE B 25 6.298 15.063 0.562 1.00 0.33 C ATOM 1501 O ILE B 25 6.704 15.387 -0.556 1.00 0.34 O ATOM 1502 CB ILE B 25 5.195 12.808 0.856 1.00 0.29 C ATOM 1503 CG1 ILE B 25 5.921 12.479 2.166 1.00 0.29 C ATOM 1504 CG2 ILE B 25 5.976 12.277 -0.338 1.00 0.26 C ATOM 1505 CD1 ILE B 25 6.113 10.995 2.406 1.00 0.28 C ATOM 0 H ILE B 25 4.563 14.496 -1.325 1.00 0.36 H new ATOM 0 HA ILE B 25 4.470 14.684 1.624 1.00 0.33 H new ATOM 0 HB ILE B 25 4.222 12.318 0.878 1.00 0.29 H new ATOM 0 HG12 ILE B 25 6.896 12.965 2.161 1.00 0.29 H new ATOM 0 HG13 ILE B 25 5.358 12.902 2.998 1.00 0.29 H new ATOM 0 HG21 ILE B 25 6.129 11.204 -0.224 1.00 0.26 H new ATOM 0 HG22 ILE B 25 5.416 12.469 -1.253 1.00 0.26 H new ATOM 0 HG23 ILE B 25 6.943 12.778 -0.392 1.00 0.26 H new ATOM 0 HD11 ILE B 25 6.634 10.844 3.352 1.00 0.28 H new ATOM 0 HD12 ILE B 25 5.141 10.504 2.444 1.00 0.28 H new ATOM 0 HD13 ILE B 25 6.703 10.569 1.595 1.00 0.28 H new ATOM 1517 N SER B 26 6.955 15.344 1.685 1.00 0.35 N ATOM 1518 CA SER B 26 8.231 16.055 1.682 1.00 0.38 C ATOM 1519 C SER B 26 9.305 15.290 0.898 1.00 0.34 C ATOM 1520 O SER B 26 9.196 14.077 0.706 1.00 0.31 O ATOM 1521 CB SER B 26 8.693 16.302 3.121 1.00 0.46 C ATOM 1522 OG SER B 26 9.824 17.154 3.159 1.00 1.47 O ATOM 0 H SER B 26 6.622 15.088 2.614 1.00 0.35 H new ATOM 0 HA SER B 26 8.082 17.012 1.182 1.00 0.38 H new ATOM 0 HB2 SER B 26 7.880 16.747 3.695 1.00 0.46 H new ATOM 0 HB3 SER B 26 8.935 15.351 3.596 1.00 0.46 H new ATOM 0 HG SER B 26 10.096 17.296 4.090 1.00 1.47 H new ATOM 1528 N GLU B 27 10.339 16.012 0.468 1.00 0.40 N ATOM 1529 CA GLU B 27 11.361 15.485 -0.444 1.00 0.45 C ATOM 1530 C GLU B 27 11.957 14.155 0.024 1.00 0.40 C ATOM 1531 O GLU B 27 11.946 13.170 -0.723 1.00 0.44 O ATOM 1532 CB GLU B 27 12.477 16.512 -0.629 1.00 0.69 C ATOM 1533 CG GLU B 27 12.000 17.819 -1.240 1.00 0.75 C ATOM 1534 CD GLU B 27 13.123 18.807 -1.468 1.00 1.21 C ATOM 1535 OE1 GLU B 27 13.777 18.734 -2.527 1.00 1.70 O ATOM 1536 OE2 GLU B 27 13.359 19.662 -0.589 1.00 1.87 O ATOM 0 H GLU B 27 10.495 16.982 0.742 1.00 0.40 H new ATOM 0 HA GLU B 27 10.862 15.294 -1.394 1.00 0.45 H new ATOM 0 HB2 GLU B 27 12.935 16.718 0.338 1.00 0.69 H new ATOM 0 HB3 GLU B 27 13.252 16.084 -1.264 1.00 0.69 H new ATOM 0 HG2 GLU B 27 11.507 17.612 -2.190 1.00 0.75 H new ATOM 0 HG3 GLU B 27 11.254 18.269 -0.585 1.00 0.75 H new ATOM 1543 N ASP B 28 12.471 14.121 1.251 1.00 0.38 N ATOM 1544 CA ASP B 28 13.110 12.915 1.779 1.00 0.39 C ATOM 1545 C ASP B 28 12.098 11.784 1.896 1.00 0.34 C ATOM 1546 O ASP B 28 12.410 10.619 1.630 1.00 0.38 O ATOM 1547 CB ASP B 28 13.746 13.188 3.143 1.00 0.46 C ATOM 1548 CG ASP B 28 14.518 11.993 3.674 1.00 1.00 C ATOM 1549 OD1 ASP B 28 15.719 11.867 3.349 1.00 1.64 O ATOM 1550 OD2 ASP B 28 13.933 11.178 4.417 1.00 1.84 O ATOM 0 H ASP B 28 12.459 14.910 1.897 1.00 0.38 H new ATOM 0 HA ASP B 28 13.895 12.618 1.083 1.00 0.39 H new ATOM 0 HB2 ASP B 28 14.417 14.043 3.063 1.00 0.46 H new ATOM 0 HB3 ASP B 28 12.967 13.459 3.856 1.00 0.46 H new ATOM 1555 N GLY B 29 10.882 12.140 2.284 1.00 0.30 N ATOM 1556 CA GLY B 29 9.813 11.169 2.351 1.00 0.30 C ATOM 1557 C GLY B 29 9.499 10.592 0.988 1.00 0.26 C ATOM 1558 O GLY B 29 9.336 9.381 0.842 1.00 0.24 O ATOM 0 H GLY B 29 10.618 13.087 2.554 1.00 0.30 H new ATOM 0 HA2 GLY B 29 10.093 10.365 3.031 1.00 0.30 H new ATOM 0 HA3 GLY B 29 8.920 11.638 2.763 1.00 0.30 H new ATOM 1562 N ALA B 30 9.426 11.463 -0.014 1.00 0.24 N ATOM 1563 CA ALA B 30 9.185 11.045 -1.389 1.00 0.23 C ATOM 1564 C ALA B 30 10.247 10.063 -1.862 1.00 0.22 C ATOM 1565 O ALA B 30 9.928 9.038 -2.463 1.00 0.21 O ATOM 1566 CB ALA B 30 9.138 12.257 -2.309 1.00 0.24 C ATOM 0 H ALA B 30 9.531 12.471 0.104 1.00 0.24 H new ATOM 0 HA ALA B 30 8.221 10.538 -1.422 1.00 0.23 H new ATOM 0 HB1 ALA B 30 8.957 11.930 -3.333 1.00 0.24 H new ATOM 0 HB2 ALA B 30 8.334 12.922 -1.994 1.00 0.24 H new ATOM 0 HB3 ALA B 30 10.089 12.788 -2.260 1.00 0.24 H new ATOM 1572 N ASP B 31 11.508 10.370 -1.582 1.00 0.24 N ATOM 1573 CA ASP B 31 12.609 9.492 -1.969 1.00 0.25 C ATOM 1574 C ASP B 31 12.470 8.137 -1.288 1.00 0.24 C ATOM 1575 O ASP B 31 12.677 7.091 -1.905 1.00 0.23 O ATOM 1576 CB ASP B 31 13.958 10.117 -1.611 1.00 0.31 C ATOM 1577 CG ASP B 31 15.125 9.227 -1.998 1.00 0.77 C ATOM 1578 OD1 ASP B 31 15.536 9.259 -3.176 1.00 1.47 O ATOM 1579 OD2 ASP B 31 15.640 8.495 -1.126 1.00 1.34 O ATOM 0 H ASP B 31 11.794 11.217 -1.090 1.00 0.24 H new ATOM 0 HA ASP B 31 12.567 9.355 -3.050 1.00 0.25 H new ATOM 0 HB2 ASP B 31 14.055 11.079 -2.114 1.00 0.31 H new ATOM 0 HB3 ASP B 31 13.993 10.312 -0.539 1.00 0.31 H new ATOM 1584 N SER B 32 12.086 8.168 -0.020 1.00 0.24 N ATOM 1585 CA SER B 32 11.882 6.953 0.750 1.00 0.24 C ATOM 1586 C SER B 32 10.732 6.126 0.169 1.00 0.20 C ATOM 1587 O SER B 32 10.745 4.899 0.232 1.00 0.23 O ATOM 1588 CB SER B 32 11.612 7.304 2.212 1.00 0.26 C ATOM 1589 OG SER B 32 12.684 8.060 2.756 1.00 0.92 O ATOM 0 H SER B 32 11.909 9.028 0.499 1.00 0.24 H new ATOM 0 HA SER B 32 12.787 6.348 0.695 1.00 0.24 H new ATOM 0 HB2 SER B 32 10.685 7.872 2.289 1.00 0.26 H new ATOM 0 HB3 SER B 32 11.475 6.390 2.791 1.00 0.26 H new ATOM 0 HG SER B 32 12.653 8.973 2.402 1.00 0.92 H new ATOM 1595 N LEU B 33 9.744 6.797 -0.412 1.00 0.17 N ATOM 1596 CA LEU B 33 8.638 6.107 -1.063 1.00 0.15 C ATOM 1597 C LEU B 33 9.068 5.561 -2.420 1.00 0.14 C ATOM 1598 O LEU B 33 8.631 4.489 -2.834 1.00 0.13 O ATOM 1599 CB LEU B 33 7.435 7.036 -1.230 1.00 0.16 C ATOM 1600 CG LEU B 33 6.821 7.552 0.070 1.00 0.18 C ATOM 1601 CD1 LEU B 33 5.647 8.467 -0.231 1.00 0.21 C ATOM 1602 CD2 LEU B 33 6.384 6.393 0.956 1.00 0.19 C ATOM 0 H LEU B 33 9.687 7.815 -0.445 1.00 0.17 H new ATOM 0 HA LEU B 33 8.345 5.273 -0.426 1.00 0.15 H new ATOM 0 HB2 LEU B 33 7.739 7.891 -1.833 1.00 0.16 H new ATOM 0 HB3 LEU B 33 6.664 6.508 -1.791 1.00 0.16 H new ATOM 0 HG LEU B 33 7.578 8.123 0.608 1.00 0.18 H new ATOM 0 HD11 LEU B 33 5.218 8.828 0.704 1.00 0.21 H new ATOM 0 HD12 LEU B 33 5.989 9.315 -0.825 1.00 0.21 H new ATOM 0 HD13 LEU B 33 4.890 7.916 -0.789 1.00 0.21 H new ATOM 0 HD21 LEU B 33 5.950 6.783 1.877 1.00 0.19 H new ATOM 0 HD22 LEU B 33 5.642 5.793 0.430 1.00 0.19 H new ATOM 0 HD23 LEU B 33 7.248 5.773 1.196 1.00 0.19 H new ATOM 1614 N ASN B 34 9.935 6.301 -3.103 1.00 0.15 N ATOM 1615 CA ASN B 34 10.467 5.870 -4.393 1.00 0.16 C ATOM 1616 C ASN B 34 11.218 4.555 -4.255 1.00 0.16 C ATOM 1617 O ASN B 34 11.011 3.627 -5.039 1.00 0.17 O ATOM 1618 CB ASN B 34 11.388 6.935 -4.995 1.00 0.18 C ATOM 1619 CG ASN B 34 10.637 7.963 -5.820 1.00 0.18 C ATOM 1620 OD1 ASN B 34 10.457 7.795 -7.027 1.00 0.18 O ATOM 1621 ND2 ASN B 34 10.192 9.032 -5.183 1.00 0.21 N ATOM 0 H ASN B 34 10.286 7.204 -2.785 1.00 0.15 H new ATOM 0 HA ASN B 34 9.621 5.724 -5.065 1.00 0.16 H new ATOM 0 HB2 ASN B 34 11.924 7.441 -4.192 1.00 0.18 H new ATOM 0 HB3 ASN B 34 12.137 6.450 -5.621 1.00 0.18 H new ATOM 0 HD21 ASN B 34 9.680 9.753 -5.692 1.00 0.21 H new ATOM 0 HD22 ASN B 34 10.360 9.136 -4.182 1.00 0.21 H new ATOM 1628 N VAL B 35 12.072 4.465 -3.241 1.00 0.18 N ATOM 1629 CA VAL B 35 12.831 3.246 -3.007 1.00 0.20 C ATOM 1630 C VAL B 35 11.930 2.155 -2.435 1.00 0.18 C ATOM 1631 O VAL B 35 12.175 0.967 -2.638 1.00 0.21 O ATOM 1632 CB VAL B 35 14.039 3.485 -2.071 1.00 0.23 C ATOM 1633 CG1 VAL B 35 14.940 4.566 -2.638 1.00 0.26 C ATOM 1634 CG2 VAL B 35 13.592 3.852 -0.666 1.00 0.23 C ATOM 0 H VAL B 35 12.254 5.215 -2.574 1.00 0.18 H new ATOM 0 HA VAL B 35 13.221 2.919 -3.971 1.00 0.20 H new ATOM 0 HB VAL B 35 14.600 2.553 -2.008 1.00 0.23 H new ATOM 0 HG11 VAL B 35 15.786 4.723 -1.968 1.00 0.26 H new ATOM 0 HG12 VAL B 35 15.305 4.258 -3.618 1.00 0.26 H new ATOM 0 HG13 VAL B 35 14.377 5.494 -2.736 1.00 0.26 H new ATOM 0 HG21 VAL B 35 14.467 4.013 -0.036 1.00 0.23 H new ATOM 0 HG22 VAL B 35 12.997 4.765 -0.700 1.00 0.23 H new ATOM 0 HG23 VAL B 35 12.991 3.042 -0.252 1.00 0.23 H new ATOM 1644 N ALA B 36 10.874 2.566 -1.736 1.00 0.17 N ATOM 1645 CA ALA B 36 9.891 1.627 -1.219 1.00 0.17 C ATOM 1646 C ALA B 36 9.190 0.917 -2.368 1.00 0.15 C ATOM 1647 O ALA B 36 9.098 -0.311 -2.386 1.00 0.16 O ATOM 1648 CB ALA B 36 8.876 2.337 -0.337 1.00 0.18 C ATOM 0 H ALA B 36 10.681 3.543 -1.517 1.00 0.17 H new ATOM 0 HA ALA B 36 10.410 0.886 -0.611 1.00 0.17 H new ATOM 0 HB1 ALA B 36 8.151 1.614 0.038 1.00 0.18 H new ATOM 0 HB2 ALA B 36 9.389 2.806 0.503 1.00 0.18 H new ATOM 0 HB3 ALA B 36 8.359 3.100 -0.919 1.00 0.18 H new ATOM 1654 N MET B 37 8.715 1.697 -3.338 1.00 0.14 N ATOM 1655 CA MET B 37 8.066 1.154 -4.522 1.00 0.15 C ATOM 1656 C MET B 37 9.005 0.225 -5.279 1.00 0.15 C ATOM 1657 O MET B 37 8.572 -0.772 -5.848 1.00 0.18 O ATOM 1658 CB MET B 37 7.607 2.283 -5.444 1.00 0.16 C ATOM 1659 CG MET B 37 6.488 3.131 -4.865 1.00 0.16 C ATOM 1660 SD MET B 37 5.874 4.366 -6.030 1.00 0.21 S ATOM 1661 CE MET B 37 7.322 5.394 -6.250 1.00 0.19 C ATOM 0 H MET B 37 8.770 2.715 -3.323 1.00 0.14 H new ATOM 0 HA MET B 37 7.197 0.582 -4.195 1.00 0.15 H new ATOM 0 HB2 MET B 37 8.459 2.926 -5.668 1.00 0.16 H new ATOM 0 HB3 MET B 37 7.274 1.855 -6.389 1.00 0.16 H new ATOM 0 HG2 MET B 37 5.666 2.483 -4.563 1.00 0.16 H new ATOM 0 HG3 MET B 37 6.846 3.632 -3.966 1.00 0.16 H new ATOM 0 HE1 MET B 37 7.083 6.222 -6.918 1.00 0.19 H new ATOM 0 HE2 MET B 37 7.639 5.787 -5.284 1.00 0.19 H new ATOM 0 HE3 MET B 37 8.127 4.800 -6.682 1.00 0.19 H new ATOM 1671 N ASP B 38 10.290 0.560 -5.272 1.00 0.18 N ATOM 1672 CA ASP B 38 11.306 -0.261 -5.925 1.00 0.23 C ATOM 1673 C ASP B 38 11.399 -1.627 -5.252 1.00 0.19 C ATOM 1674 O ASP B 38 11.451 -2.661 -5.918 1.00 0.23 O ATOM 1675 CB ASP B 38 12.664 0.444 -5.873 1.00 0.34 C ATOM 1676 CG ASP B 38 13.780 -0.379 -6.487 1.00 0.90 C ATOM 1677 OD1 ASP B 38 13.951 -0.330 -7.724 1.00 1.68 O ATOM 1678 OD2 ASP B 38 14.500 -1.066 -5.734 1.00 1.42 O ATOM 0 H ASP B 38 10.655 1.398 -4.820 1.00 0.18 H new ATOM 0 HA ASP B 38 11.021 -0.405 -6.967 1.00 0.23 H new ATOM 0 HB2 ASP B 38 12.593 1.398 -6.396 1.00 0.34 H new ATOM 0 HB3 ASP B 38 12.912 0.667 -4.835 1.00 0.34 H new ATOM 1683 N CYS B 39 11.389 -1.619 -3.926 1.00 0.18 N ATOM 1684 CA CYS B 39 11.466 -2.849 -3.150 1.00 0.18 C ATOM 1685 C CYS B 39 10.200 -3.690 -3.328 1.00 0.16 C ATOM 1686 O CYS B 39 10.264 -4.915 -3.420 1.00 0.19 O ATOM 1687 CB CYS B 39 11.683 -2.517 -1.676 1.00 0.21 C ATOM 1688 SG CYS B 39 13.154 -1.513 -1.358 1.00 0.27 S ATOM 0 H CYS B 39 11.328 -0.770 -3.363 1.00 0.18 H new ATOM 0 HA CYS B 39 12.310 -3.435 -3.512 1.00 0.18 H new ATOM 0 HB2 CYS B 39 10.807 -1.989 -1.300 1.00 0.21 H new ATOM 0 HB3 CYS B 39 11.761 -3.447 -1.112 1.00 0.21 H new ATOM 0 HG CYS B 39 12.917 -0.279 -1.690 1.00 0.27 H new ATOM 1694 N ILE B 40 9.053 -3.022 -3.395 1.00 0.14 N ATOM 1695 CA ILE B 40 7.783 -3.702 -3.639 1.00 0.14 C ATOM 1696 C ILE B 40 7.777 -4.298 -5.043 1.00 0.16 C ATOM 1697 O ILE B 40 7.325 -5.422 -5.264 1.00 0.16 O ATOM 1698 CB ILE B 40 6.587 -2.731 -3.495 1.00 0.13 C ATOM 1699 CG1 ILE B 40 6.573 -2.105 -2.099 1.00 0.14 C ATOM 1700 CG2 ILE B 40 5.273 -3.454 -3.765 1.00 0.16 C ATOM 1701 CD1 ILE B 40 5.571 -0.980 -1.945 1.00 0.16 C ATOM 0 H ILE B 40 8.975 -2.011 -3.284 1.00 0.14 H new ATOM 0 HA ILE B 40 7.679 -4.492 -2.896 1.00 0.14 H new ATOM 0 HB ILE B 40 6.700 -1.936 -4.232 1.00 0.13 H new ATOM 0 HG12 ILE B 40 6.351 -2.880 -1.365 1.00 0.14 H new ATOM 0 HG13 ILE B 40 7.569 -1.726 -1.871 1.00 0.14 H new ATOM 0 HG21 ILE B 40 4.444 -2.754 -3.659 1.00 0.16 H new ATOM 0 HG22 ILE B 40 5.281 -3.856 -4.778 1.00 0.16 H new ATOM 0 HG23 ILE B 40 5.153 -4.269 -3.052 1.00 0.16 H new ATOM 0 HD11 ILE B 40 5.619 -0.586 -0.930 1.00 0.16 H new ATOM 0 HD12 ILE B 40 5.804 -0.185 -2.654 1.00 0.16 H new ATOM 0 HD13 ILE B 40 4.567 -1.357 -2.141 1.00 0.16 H new ATOM 1713 N SER B 41 8.309 -3.528 -5.980 1.00 0.21 N ATOM 1714 CA SER B 41 8.411 -3.938 -7.369 1.00 0.28 C ATOM 1715 C SER B 41 9.257 -5.206 -7.483 1.00 0.30 C ATOM 1716 O SER B 41 8.880 -6.157 -8.169 1.00 0.34 O ATOM 1717 CB SER B 41 9.039 -2.801 -8.180 1.00 0.37 C ATOM 1718 OG SER B 41 8.709 -2.885 -9.551 1.00 1.13 O ATOM 0 H SER B 41 8.683 -2.597 -5.796 1.00 0.21 H new ATOM 0 HA SER B 41 7.417 -4.155 -7.761 1.00 0.28 H new ATOM 0 HB2 SER B 41 8.701 -1.843 -7.784 1.00 0.37 H new ATOM 0 HB3 SER B 41 10.123 -2.829 -8.065 1.00 0.37 H new ATOM 0 HG SER B 41 8.249 -3.733 -9.725 1.00 1.13 H new ATOM 1724 N GLU B 42 10.392 -5.205 -6.792 1.00 0.32 N ATOM 1725 CA GLU B 42 11.291 -6.355 -6.768 1.00 0.38 C ATOM 1726 C GLU B 42 10.612 -7.577 -6.146 1.00 0.32 C ATOM 1727 O GLU B 42 10.864 -8.713 -6.549 1.00 0.44 O ATOM 1728 CB GLU B 42 12.557 -6.013 -5.980 1.00 0.46 C ATOM 1729 CG GLU B 42 13.604 -7.116 -5.996 1.00 0.60 C ATOM 1730 CD GLU B 42 14.119 -7.401 -7.391 1.00 1.45 C ATOM 1731 OE1 GLU B 42 15.038 -6.688 -7.844 1.00 2.00 O ATOM 1732 OE2 GLU B 42 13.600 -8.327 -8.049 1.00 2.23 O ATOM 0 H GLU B 42 10.714 -4.413 -6.236 1.00 0.32 H new ATOM 0 HA GLU B 42 11.555 -6.597 -7.798 1.00 0.38 H new ATOM 0 HB2 GLU B 42 12.995 -5.103 -6.390 1.00 0.46 H new ATOM 0 HB3 GLU B 42 12.284 -5.798 -4.947 1.00 0.46 H new ATOM 0 HG2 GLU B 42 14.438 -6.831 -5.355 1.00 0.60 H new ATOM 0 HG3 GLU B 42 13.176 -8.026 -5.576 1.00 0.60 H new ATOM 1739 N ALA B 43 9.750 -7.335 -5.168 1.00 0.19 N ATOM 1740 CA ALA B 43 9.085 -8.413 -4.448 1.00 0.17 C ATOM 1741 C ALA B 43 8.161 -9.218 -5.355 1.00 0.17 C ATOM 1742 O ALA B 43 8.222 -10.446 -5.379 1.00 0.25 O ATOM 1743 CB ALA B 43 8.303 -7.858 -3.269 1.00 0.20 C ATOM 0 H ALA B 43 9.494 -6.399 -4.854 1.00 0.19 H new ATOM 0 HA ALA B 43 9.860 -9.086 -4.082 1.00 0.17 H new ATOM 0 HB1 ALA B 43 7.812 -8.675 -2.741 1.00 0.20 H new ATOM 0 HB2 ALA B 43 8.984 -7.345 -2.590 1.00 0.20 H new ATOM 0 HB3 ALA B 43 7.552 -7.155 -3.629 1.00 0.20 H new ATOM 1749 N PHE B 44 7.313 -8.528 -6.105 1.00 0.19 N ATOM 1750 CA PHE B 44 6.307 -9.206 -6.914 1.00 0.25 C ATOM 1751 C PHE B 44 6.731 -9.322 -8.376 1.00 0.30 C ATOM 1752 O PHE B 44 6.040 -9.939 -9.185 1.00 0.35 O ATOM 1753 CB PHE B 44 4.959 -8.494 -6.802 1.00 0.27 C ATOM 1754 CG PHE B 44 4.394 -8.505 -5.410 1.00 0.26 C ATOM 1755 CD1 PHE B 44 3.650 -9.583 -4.963 1.00 1.15 C ATOM 1756 CD2 PHE B 44 4.611 -7.441 -4.548 1.00 1.10 C ATOM 1757 CE1 PHE B 44 3.132 -9.601 -3.684 1.00 1.15 C ATOM 1758 CE2 PHE B 44 4.094 -7.454 -3.265 1.00 1.12 C ATOM 1759 CZ PHE B 44 3.353 -8.536 -2.834 1.00 0.31 C ATOM 0 H PHE B 44 7.300 -7.510 -6.171 1.00 0.19 H new ATOM 0 HA PHE B 44 6.205 -10.219 -6.524 1.00 0.25 H new ATOM 0 HB2 PHE B 44 5.073 -7.461 -7.132 1.00 0.27 H new ATOM 0 HB3 PHE B 44 4.248 -8.968 -7.479 1.00 0.27 H new ATOM 0 HD1 PHE B 44 3.473 -10.420 -5.623 1.00 1.15 H new ATOM 0 HD2 PHE B 44 5.190 -6.593 -4.882 1.00 1.10 H new ATOM 0 HE1 PHE B 44 2.553 -10.449 -3.348 1.00 1.15 H new ATOM 0 HE2 PHE B 44 4.270 -6.620 -2.602 1.00 1.12 H new ATOM 0 HZ PHE B 44 2.947 -8.549 -1.833 1.00 0.31 H new ATOM 1769 N GLY B 45 7.873 -8.719 -8.696 1.00 0.29 N ATOM 1770 CA GLY B 45 8.448 -8.832 -10.027 1.00 0.35 C ATOM 1771 C GLY B 45 7.592 -8.196 -11.104 1.00 0.37 C ATOM 1772 O GLY B 45 7.294 -8.829 -12.117 1.00 0.43 O ATOM 0 H GLY B 45 8.416 -8.147 -8.049 1.00 0.29 H new ATOM 0 HA2 GLY B 45 9.432 -8.364 -10.031 1.00 0.35 H new ATOM 0 HA3 GLY B 45 8.595 -9.886 -10.264 1.00 0.35 H new ATOM 1776 N PHE B 46 7.213 -6.944 -10.904 1.00 0.36 N ATOM 1777 CA PHE B 46 6.346 -6.250 -11.851 1.00 0.39 C ATOM 1778 C PHE B 46 6.854 -4.834 -12.092 1.00 0.39 C ATOM 1779 O PHE B 46 7.790 -4.389 -11.434 1.00 0.40 O ATOM 1780 CB PHE B 46 4.902 -6.218 -11.327 1.00 0.36 C ATOM 1781 CG PHE B 46 4.689 -5.340 -10.121 1.00 0.30 C ATOM 1782 CD1 PHE B 46 5.179 -5.707 -8.878 1.00 1.17 C ATOM 1783 CD2 PHE B 46 3.992 -4.149 -10.234 1.00 1.27 C ATOM 1784 CE1 PHE B 46 4.980 -4.903 -7.773 1.00 1.17 C ATOM 1785 CE2 PHE B 46 3.789 -3.341 -9.133 1.00 1.26 C ATOM 1786 CZ PHE B 46 4.284 -3.718 -7.901 1.00 0.21 C ATOM 0 H PHE B 46 7.490 -6.386 -10.097 1.00 0.36 H new ATOM 0 HA PHE B 46 6.360 -6.790 -12.798 1.00 0.39 H new ATOM 0 HB2 PHE B 46 4.247 -5.877 -12.128 1.00 0.36 H new ATOM 0 HB3 PHE B 46 4.598 -7.235 -11.078 1.00 0.36 H new ATOM 0 HD1 PHE B 46 5.724 -6.634 -8.772 1.00 1.17 H new ATOM 0 HD2 PHE B 46 3.602 -3.848 -11.195 1.00 1.27 H new ATOM 0 HE1 PHE B 46 5.368 -5.201 -6.810 1.00 1.17 H new ATOM 0 HE2 PHE B 46 3.243 -2.415 -9.236 1.00 1.26 H new ATOM 0 HZ PHE B 46 4.127 -3.087 -7.039 1.00 0.21 H new ATOM 1796 N GLU B 47 6.240 -4.138 -13.040 1.00 0.41 N ATOM 1797 CA GLU B 47 6.594 -2.758 -13.343 1.00 0.44 C ATOM 1798 C GLU B 47 5.508 -1.819 -12.840 1.00 0.40 C ATOM 1799 O GLU B 47 4.334 -2.181 -12.807 1.00 0.39 O ATOM 1800 CB GLU B 47 6.787 -2.575 -14.849 1.00 0.53 C ATOM 1801 CG GLU B 47 8.052 -3.230 -15.384 1.00 0.59 C ATOM 1802 CD GLU B 47 9.305 -2.713 -14.705 1.00 1.14 C ATOM 1803 OE1 GLU B 47 9.788 -1.625 -15.079 1.00 1.55 O ATOM 1804 OE2 GLU B 47 9.809 -3.381 -13.780 1.00 1.92 O ATOM 0 H GLU B 47 5.487 -4.512 -13.617 1.00 0.41 H new ATOM 0 HA GLU B 47 7.531 -2.520 -12.840 1.00 0.44 H new ATOM 0 HB2 GLU B 47 5.924 -2.990 -15.371 1.00 0.53 H new ATOM 0 HB3 GLU B 47 6.815 -1.509 -15.077 1.00 0.53 H new ATOM 0 HG2 GLU B 47 7.986 -4.309 -15.244 1.00 0.59 H new ATOM 0 HG3 GLU B 47 8.124 -3.051 -16.457 1.00 0.59 H new ATOM 1811 N ARG B 48 5.893 -0.597 -12.480 1.00 0.41 N ATOM 1812 CA ARG B 48 4.968 0.336 -11.845 1.00 0.40 C ATOM 1813 C ARG B 48 4.085 0.995 -12.896 1.00 0.41 C ATOM 1814 O ARG B 48 3.090 1.633 -12.571 1.00 0.43 O ATOM 1815 CB ARG B 48 5.716 1.425 -11.055 1.00 0.44 C ATOM 1816 CG ARG B 48 6.435 0.950 -9.792 1.00 0.61 C ATOM 1817 CD ARG B 48 7.611 0.031 -10.099 1.00 0.91 C ATOM 1818 NE ARG B 48 8.463 0.559 -11.167 1.00 1.19 N ATOM 1819 CZ ARG B 48 9.146 -0.208 -12.018 1.00 1.88 C ATOM 1820 NH1 ARG B 48 9.198 -1.521 -11.839 1.00 2.57 N ATOM 1821 NH2 ARG B 48 9.799 0.342 -13.031 1.00 2.20 N ATOM 0 H ARG B 48 6.835 -0.231 -12.617 1.00 0.41 H new ATOM 0 HA ARG B 48 4.353 -0.234 -11.148 1.00 0.40 H new ATOM 0 HB2 ARG B 48 6.448 1.889 -11.715 1.00 0.44 H new ATOM 0 HB3 ARG B 48 5.003 2.200 -10.775 1.00 0.44 H new ATOM 0 HG2 ARG B 48 6.791 1.816 -9.234 1.00 0.61 H new ATOM 0 HG3 ARG B 48 5.727 0.426 -9.150 1.00 0.61 H new ATOM 0 HD2 ARG B 48 8.207 -0.108 -9.197 1.00 0.91 H new ATOM 0 HD3 ARG B 48 7.236 -0.951 -10.388 1.00 0.91 H new ATOM 0 HE ARG B 48 8.538 1.571 -11.266 1.00 1.19 H new ATOM 0 HH11 ARG B 48 8.715 -1.947 -11.048 1.00 2.57 H new ATOM 0 HH12 ARG B 48 9.721 -2.104 -12.492 1.00 2.57 H new ATOM 0 HH21 ARG B 48 9.780 1.353 -13.161 1.00 2.20 H new ATOM 0 HH22 ARG B 48 10.321 -0.246 -13.681 1.00 2.20 H new ATOM 1835 N GLU B 49 4.473 0.864 -14.156 1.00 0.42 N ATOM 1836 CA GLU B 49 3.715 1.452 -15.253 1.00 0.46 C ATOM 1837 C GLU B 49 2.516 0.585 -15.617 1.00 0.43 C ATOM 1838 O GLU B 49 1.542 1.067 -16.196 1.00 0.46 O ATOM 1839 CB GLU B 49 4.607 1.641 -16.480 1.00 0.57 C ATOM 1840 CG GLU B 49 5.841 2.487 -16.216 1.00 1.14 C ATOM 1841 CD GLU B 49 5.511 3.817 -15.567 1.00 1.54 C ATOM 1842 OE1 GLU B 49 4.980 4.708 -16.260 1.00 2.04 O ATOM 1843 OE2 GLU B 49 5.774 3.971 -14.357 1.00 2.24 O ATOM 0 H GLU B 49 5.309 0.356 -14.445 1.00 0.42 H new ATOM 0 HA GLU B 49 3.352 2.425 -14.922 1.00 0.46 H new ATOM 0 HB2 GLU B 49 4.920 0.663 -16.844 1.00 0.57 H new ATOM 0 HB3 GLU B 49 4.023 2.105 -17.274 1.00 0.57 H new ATOM 0 HG2 GLU B 49 6.525 1.933 -15.573 1.00 1.14 H new ATOM 0 HG3 GLU B 49 6.362 2.666 -17.157 1.00 1.14 H new ATOM 1850 N ALA B 50 2.584 -0.692 -15.264 1.00 0.41 N ATOM 1851 CA ALA B 50 1.529 -1.637 -15.614 1.00 0.42 C ATOM 1852 C ALA B 50 0.394 -1.617 -14.592 1.00 0.37 C ATOM 1853 O ALA B 50 -0.567 -2.376 -14.709 1.00 0.41 O ATOM 1854 CB ALA B 50 2.102 -3.040 -15.738 1.00 0.48 C ATOM 0 H ALA B 50 3.357 -1.098 -14.736 1.00 0.41 H new ATOM 0 HA ALA B 50 1.114 -1.333 -16.575 1.00 0.42 H new ATOM 0 HB1 ALA B 50 1.305 -3.737 -15.999 1.00 0.48 H new ATOM 0 HB2 ALA B 50 2.866 -3.054 -16.516 1.00 0.48 H new ATOM 0 HB3 ALA B 50 2.546 -3.337 -14.788 1.00 0.48 H new ATOM 1860 N VAL B 51 0.508 -0.739 -13.596 1.00 0.33 N ATOM 1861 CA VAL B 51 -0.483 -0.659 -12.523 1.00 0.31 C ATOM 1862 C VAL B 51 -1.902 -0.486 -13.054 1.00 0.36 C ATOM 1863 O VAL B 51 -2.808 -1.184 -12.616 1.00 0.41 O ATOM 1864 CB VAL B 51 -0.178 0.481 -11.525 1.00 0.29 C ATOM 1865 CG1 VAL B 51 1.050 0.150 -10.699 1.00 0.26 C ATOM 1866 CG2 VAL B 51 -0.001 1.813 -12.240 1.00 0.33 C ATOM 0 H VAL B 51 1.276 -0.073 -13.510 1.00 0.33 H new ATOM 0 HA VAL B 51 -0.416 -1.613 -12.001 1.00 0.31 H new ATOM 0 HB VAL B 51 -1.033 0.576 -10.855 1.00 0.29 H new ATOM 0 HG11 VAL B 51 1.250 0.964 -10.002 1.00 0.26 H new ATOM 0 HG12 VAL B 51 0.876 -0.771 -10.142 1.00 0.26 H new ATOM 0 HG13 VAL B 51 1.908 0.019 -11.359 1.00 0.26 H new ATOM 0 HG21 VAL B 51 0.212 2.593 -11.509 1.00 0.33 H new ATOM 0 HG22 VAL B 51 0.827 1.740 -12.945 1.00 0.33 H new ATOM 0 HG23 VAL B 51 -0.915 2.061 -12.779 1.00 0.33 H new ATOM 1876 N SER B 52 -2.088 0.419 -14.006 1.00 0.37 N ATOM 1877 CA SER B 52 -3.414 0.722 -14.528 1.00 0.45 C ATOM 1878 C SER B 52 -4.050 -0.519 -15.155 1.00 0.47 C ATOM 1879 O SER B 52 -5.200 -0.858 -14.861 1.00 0.50 O ATOM 1880 CB SER B 52 -3.309 1.861 -15.542 1.00 0.53 C ATOM 1881 OG SER B 52 -2.188 1.673 -16.391 1.00 1.25 O ATOM 0 H SER B 52 -1.335 0.958 -14.434 1.00 0.37 H new ATOM 0 HA SER B 52 -4.059 1.037 -13.708 1.00 0.45 H new ATOM 0 HB2 SER B 52 -4.220 1.909 -16.139 1.00 0.53 H new ATOM 0 HB3 SER B 52 -3.220 2.813 -15.019 1.00 0.53 H new ATOM 0 HG SER B 52 -2.138 2.410 -17.034 1.00 1.25 H new ATOM 1887 N GLY B 53 -3.291 -1.184 -16.018 1.00 0.50 N ATOM 1888 CA GLY B 53 -3.734 -2.432 -16.612 1.00 0.57 C ATOM 1889 C GLY B 53 -4.105 -3.488 -15.584 1.00 0.54 C ATOM 1890 O GLY B 53 -5.070 -4.231 -15.772 1.00 0.59 O ATOM 0 H GLY B 53 -2.366 -0.877 -16.320 1.00 0.50 H new ATOM 0 HA2 GLY B 53 -4.596 -2.237 -17.250 1.00 0.57 H new ATOM 0 HA3 GLY B 53 -2.944 -2.821 -17.254 1.00 0.57 H new ATOM 1894 N ILE B 54 -3.348 -3.560 -14.495 1.00 0.50 N ATOM 1895 CA ILE B 54 -3.610 -4.549 -13.453 1.00 0.51 C ATOM 1896 C ILE B 54 -4.808 -4.134 -12.599 1.00 0.50 C ATOM 1897 O ILE B 54 -5.663 -4.952 -12.268 1.00 0.57 O ATOM 1898 CB ILE B 54 -2.379 -4.764 -12.542 1.00 0.49 C ATOM 1899 CG1 ILE B 54 -1.160 -5.158 -13.381 1.00 0.48 C ATOM 1900 CG2 ILE B 54 -2.675 -5.836 -11.500 1.00 0.55 C ATOM 1901 CD1 ILE B 54 0.114 -5.306 -12.577 1.00 0.48 C ATOM 0 H ILE B 54 -2.552 -2.950 -14.310 1.00 0.50 H new ATOM 0 HA ILE B 54 -3.833 -5.489 -13.957 1.00 0.51 H new ATOM 0 HB ILE B 54 -2.158 -3.829 -12.026 1.00 0.49 H new ATOM 0 HG12 ILE B 54 -1.369 -6.099 -13.889 1.00 0.48 H new ATOM 0 HG13 ILE B 54 -1.005 -4.406 -14.155 1.00 0.48 H new ATOM 0 HG21 ILE B 54 -1.800 -5.978 -10.865 1.00 0.55 H new ATOM 0 HG22 ILE B 54 -3.521 -5.524 -10.888 1.00 0.55 H new ATOM 0 HG23 ILE B 54 -2.915 -6.774 -12.001 1.00 0.55 H new ATOM 0 HD11 ILE B 54 0.932 -5.586 -13.240 1.00 0.48 H new ATOM 0 HD12 ILE B 54 0.349 -4.359 -12.090 1.00 0.48 H new ATOM 0 HD13 ILE B 54 -0.021 -6.079 -11.821 1.00 0.48 H new ATOM 1913 N LEU B 55 -4.860 -2.858 -12.246 1.00 0.46 N ATOM 1914 CA LEU B 55 -5.971 -2.322 -11.464 1.00 0.48 C ATOM 1915 C LEU B 55 -7.295 -2.487 -12.205 1.00 0.55 C ATOM 1916 O LEU B 55 -8.324 -2.768 -11.594 1.00 0.65 O ATOM 1917 CB LEU B 55 -5.729 -0.853 -11.113 1.00 0.48 C ATOM 1918 CG LEU B 55 -4.457 -0.585 -10.303 1.00 0.46 C ATOM 1919 CD1 LEU B 55 -4.376 0.875 -9.896 1.00 0.51 C ATOM 1920 CD2 LEU B 55 -4.396 -1.492 -9.084 1.00 0.45 C ATOM 0 H LEU B 55 -4.146 -2.171 -12.488 1.00 0.46 H new ATOM 0 HA LEU B 55 -6.031 -2.891 -10.536 1.00 0.48 H new ATOM 0 HB2 LEU B 55 -5.682 -0.277 -12.037 1.00 0.48 H new ATOM 0 HB3 LEU B 55 -6.586 -0.483 -10.550 1.00 0.48 H new ATOM 0 HG LEU B 55 -3.597 -0.807 -10.934 1.00 0.46 H new ATOM 0 HD11 LEU B 55 -3.465 1.043 -9.322 1.00 0.51 H new ATOM 0 HD12 LEU B 55 -4.363 1.501 -10.788 1.00 0.51 H new ATOM 0 HD13 LEU B 55 -5.242 1.131 -9.285 1.00 0.51 H new ATOM 0 HD21 LEU B 55 -3.485 -1.286 -8.522 1.00 0.45 H new ATOM 0 HD22 LEU B 55 -5.263 -1.308 -8.450 1.00 0.45 H new ATOM 0 HD23 LEU B 55 -4.396 -2.534 -9.405 1.00 0.45 H new