USER MOD reduce.3.24.130724 H: found=0, std=0, add=512, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 505 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 20 GLN : amide:sc= -4.56! C(o=-40!,f=-33!) USER MOD Set 1.2: A 21 ASN : amide:sc= -14.4! C(o=-40!,f=-36!) USER MOD Set 1.3: B 20 GLN : amide:sc= -5.56! C(o=-40!,f=-33!) USER MOD Set 1.4: B 21 ASN : amide:sc= -15.4! C(o=-40!,f=-33!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 70:sc= 1.09 USER MOD Single : A 18 GLN : amide:sc= -0.736 K(o=-0.74,f=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 HIS : no HD1:sc= -0.0387 X(o=-0.039,f=-0.13) USER MOD Single : A 26 ASN : amide:sc= -1.45 X(o=-1.5,f=-1) USER MOD Single : A 32 LYS NZ :NH3+ -162:sc= -0.134 (180deg=-0.674) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 16 SER OG : rot 96:sc= 0.12 USER MOD Single : B 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 22 TYR OH : rot 180:sc= 0 USER MOD Single : B 23 HIS : no HE2:sc=-0.00258 K(o=-0.0026,f=-0.99) USER MOD Single : B 26 ASN : amide:sc= -0.507 K(o=-0.51,f=-1.8) USER MOD Single : B 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 58 N LEU A 7 5.999 -10.389 -14.721 1.00 0.00 N ATOM 59 CA LEU A 7 5.988 -8.945 -14.879 1.00 0.00 C ATOM 60 C LEU A 7 4.542 -8.445 -14.858 1.00 0.00 C ATOM 61 O LEU A 7 4.276 -7.321 -14.438 1.00 0.00 O ATOM 62 CB LEU A 7 6.761 -8.537 -16.135 1.00 0.00 C ATOM 63 CG LEU A 7 7.138 -7.057 -16.240 1.00 0.00 C ATOM 64 CD1 LEU A 7 6.026 -6.255 -16.918 1.00 0.00 C ATOM 65 CD2 LEU A 7 7.503 -6.487 -14.868 1.00 0.00 C ATOM 0 HA LEU A 7 6.504 -8.467 -14.046 1.00 0.00 H new ATOM 0 HB2 LEU A 7 7.675 -9.129 -16.183 1.00 0.00 H new ATOM 0 HB3 LEU A 7 6.164 -8.802 -17.007 1.00 0.00 H new ATOM 0 HG LEU A 7 8.024 -6.973 -16.870 1.00 0.00 H new ATOM 0 HD11 LEU A 7 6.319 -5.207 -16.980 1.00 0.00 H new ATOM 0 HD12 LEU A 7 5.857 -6.644 -17.922 1.00 0.00 H new ATOM 0 HD13 LEU A 7 5.108 -6.341 -16.336 1.00 0.00 H new ATOM 0 HD21 LEU A 7 7.767 -5.434 -14.970 1.00 0.00 H new ATOM 0 HD22 LEU A 7 6.651 -6.584 -14.195 1.00 0.00 H new ATOM 0 HD23 LEU A 7 8.352 -7.036 -14.460 1.00 0.00 H new ATOM 77 N GLU A 8 3.645 -9.307 -15.317 1.00 0.00 N ATOM 78 CA GLU A 8 2.233 -8.966 -15.355 1.00 0.00 C ATOM 79 C GLU A 8 1.653 -8.944 -13.940 1.00 0.00 C ATOM 80 O GLU A 8 1.098 -7.935 -13.509 1.00 0.00 O ATOM 81 CB GLU A 8 1.460 -9.938 -16.249 1.00 0.00 C ATOM 82 CG GLU A 8 1.977 -9.889 -17.689 1.00 0.00 C ATOM 83 CD GLU A 8 0.901 -10.351 -18.674 1.00 0.00 C ATOM 84 OE1 GLU A 8 -0.266 -9.950 -18.550 1.00 0.00 O ATOM 85 OE2 GLU A 8 1.313 -11.155 -19.595 1.00 0.00 O ATOM 0 H GLU A 8 3.869 -10.239 -15.665 1.00 0.00 H new ATOM 0 HA GLU A 8 2.131 -7.969 -15.783 1.00 0.00 H new ATOM 0 HB2 GLU A 8 1.556 -10.951 -15.859 1.00 0.00 H new ATOM 0 HB3 GLU A 8 0.399 -9.689 -16.231 1.00 0.00 H new ATOM 0 HG2 GLU A 8 2.287 -8.873 -17.934 1.00 0.00 H new ATOM 0 HG3 GLU A 8 2.859 -10.523 -17.784 1.00 0.00 H new ATOM 93 N ALA A 9 1.802 -10.069 -13.256 1.00 0.00 N ATOM 94 CA ALA A 9 1.300 -10.190 -11.898 1.00 0.00 C ATOM 95 C ALA A 9 2.052 -9.214 -10.991 1.00 0.00 C ATOM 96 O ALA A 9 1.457 -8.597 -10.109 1.00 0.00 O ATOM 97 CB ALA A 9 1.435 -11.641 -11.431 1.00 0.00 C ATOM 0 H ALA A 9 2.263 -10.904 -13.617 1.00 0.00 H new ATOM 0 HA ALA A 9 0.242 -9.930 -11.856 1.00 0.00 H new ATOM 0 HB1 ALA A 9 1.058 -11.732 -10.412 1.00 0.00 H new ATOM 0 HB2 ALA A 9 0.859 -12.290 -12.090 1.00 0.00 H new ATOM 0 HB3 ALA A 9 2.484 -11.936 -11.458 1.00 0.00 H new ATOM 103 N VAL A 10 3.349 -9.104 -11.240 1.00 0.00 N ATOM 104 CA VAL A 10 4.188 -8.213 -10.458 1.00 0.00 C ATOM 105 C VAL A 10 3.813 -6.762 -10.767 1.00 0.00 C ATOM 106 O VAL A 10 3.756 -5.927 -9.866 1.00 0.00 O ATOM 107 CB VAL A 10 5.664 -8.519 -10.722 1.00 0.00 C ATOM 108 CG1 VAL A 10 6.231 -7.593 -11.799 1.00 0.00 C ATOM 109 CG2 VAL A 10 6.483 -8.425 -9.433 1.00 0.00 C ATOM 0 H VAL A 10 3.839 -9.618 -11.973 1.00 0.00 H new ATOM 0 HA VAL A 10 4.023 -8.370 -9.392 1.00 0.00 H new ATOM 0 HB VAL A 10 5.733 -9.543 -11.089 1.00 0.00 H new ATOM 0 HG11 VAL A 10 7.281 -7.831 -11.968 1.00 0.00 H new ATOM 0 HG12 VAL A 10 5.674 -7.730 -12.726 1.00 0.00 H new ATOM 0 HG13 VAL A 10 6.142 -6.557 -11.472 1.00 0.00 H new ATOM 0 HG21 VAL A 10 7.528 -8.647 -9.649 1.00 0.00 H new ATOM 0 HG22 VAL A 10 6.403 -7.418 -9.024 1.00 0.00 H new ATOM 0 HG23 VAL A 10 6.102 -9.143 -8.707 1.00 0.00 H new ATOM 119 N ARG A 11 3.565 -6.509 -12.043 1.00 0.00 N ATOM 120 CA ARG A 11 3.197 -5.174 -12.483 1.00 0.00 C ATOM 121 C ARG A 11 1.805 -4.810 -11.966 1.00 0.00 C ATOM 122 O ARG A 11 1.520 -3.642 -11.704 1.00 0.00 O ATOM 123 CB ARG A 11 3.209 -5.073 -14.009 1.00 0.00 C ATOM 124 CG ARG A 11 2.619 -3.741 -14.477 1.00 0.00 C ATOM 125 CD ARG A 11 3.201 -3.327 -15.830 1.00 0.00 C ATOM 126 NE ARG A 11 2.113 -3.149 -16.815 1.00 0.00 N ATOM 127 CZ ARG A 11 1.185 -2.170 -16.750 1.00 0.00 C ATOM 128 NH1 ARG A 11 1.207 -1.272 -15.741 1.00 0.00 N ATOM 129 NH2 ARG A 11 0.256 -2.103 -17.685 1.00 0.00 N ATOM 0 H ARG A 11 3.612 -7.206 -12.787 1.00 0.00 H new ATOM 0 HA ARG A 11 3.932 -4.478 -12.079 1.00 0.00 H new ATOM 0 HB2 ARG A 11 4.231 -5.170 -14.375 1.00 0.00 H new ATOM 0 HB3 ARG A 11 2.638 -5.897 -14.436 1.00 0.00 H new ATOM 0 HG2 ARG A 11 1.535 -3.827 -14.555 1.00 0.00 H new ATOM 0 HG3 ARG A 11 2.825 -2.968 -13.737 1.00 0.00 H new ATOM 0 HD2 ARG A 11 3.763 -2.399 -15.725 1.00 0.00 H new ATOM 0 HD3 ARG A 11 3.901 -4.085 -16.182 1.00 0.00 H new ATOM 0 HE ARG A 11 2.060 -3.807 -17.593 1.00 0.00 H new ATOM 0 HH11 ARG A 11 1.928 -1.331 -15.022 1.00 0.00 H new ATOM 0 HH12 ARG A 11 0.503 -0.535 -15.698 1.00 0.00 H new ATOM 0 HH21 ARG A 11 0.246 -2.785 -18.443 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -0.452 -1.369 -17.649 1.00 0.00 H new ATOM 142 N ARG A 12 0.972 -5.832 -11.832 1.00 0.00 N ATOM 143 CA ARG A 12 -0.385 -5.635 -11.351 1.00 0.00 C ATOM 144 C ARG A 12 -0.393 -5.504 -9.826 1.00 0.00 C ATOM 145 O ARG A 12 -1.268 -4.849 -9.261 1.00 0.00 O ATOM 146 CB ARG A 12 -1.290 -6.799 -11.761 1.00 0.00 C ATOM 147 CG ARG A 12 -2.748 -6.514 -11.397 1.00 0.00 C ATOM 148 CD ARG A 12 -3.353 -7.676 -10.608 1.00 0.00 C ATOM 149 NE ARG A 12 -3.771 -8.753 -11.532 1.00 0.00 N ATOM 150 CZ ARG A 12 -4.422 -9.871 -11.147 1.00 0.00 C ATOM 151 NH1 ARG A 12 -4.738 -10.067 -9.850 1.00 0.00 N ATOM 152 NH2 ARG A 12 -4.748 -10.768 -12.059 1.00 0.00 N ATOM 0 H ARG A 12 1.211 -6.800 -12.048 1.00 0.00 H new ATOM 0 HA ARG A 12 -0.766 -4.718 -11.800 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -1.206 -6.969 -12.834 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -0.960 -7.713 -11.267 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -2.807 -5.599 -10.807 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -3.327 -6.346 -12.305 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -2.624 -8.060 -9.895 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -4.210 -7.328 -10.031 1.00 0.00 H new ATOM 0 HE ARG A 12 -3.554 -8.644 -12.523 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -4.485 -9.368 -9.152 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -5.230 -10.915 -9.567 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -4.508 -10.611 -13.038 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -5.240 -11.618 -11.785 1.00 0.00 H new ATOM 165 N LYS A 13 0.591 -6.136 -9.205 1.00 0.00 N ATOM 166 CA LYS A 13 0.708 -6.098 -7.757 1.00 0.00 C ATOM 167 C LYS A 13 1.330 -4.766 -7.334 1.00 0.00 C ATOM 168 O LYS A 13 0.932 -4.183 -6.328 1.00 0.00 O ATOM 169 CB LYS A 13 1.473 -7.323 -7.250 1.00 0.00 C ATOM 170 CG LYS A 13 0.927 -7.788 -5.898 1.00 0.00 C ATOM 171 CD LYS A 13 -0.342 -8.625 -6.078 1.00 0.00 C ATOM 172 CE LYS A 13 -0.017 -9.989 -6.690 1.00 0.00 C ATOM 173 NZ LYS A 13 -1.044 -10.985 -6.312 1.00 0.00 N ATOM 0 H LYS A 13 1.315 -6.677 -9.678 1.00 0.00 H new ATOM 0 HA LYS A 13 -0.277 -6.151 -7.293 1.00 0.00 H new ATOM 0 HB2 LYS A 13 1.394 -8.132 -7.976 1.00 0.00 H new ATOM 0 HB3 LYS A 13 2.532 -7.082 -7.155 1.00 0.00 H new ATOM 0 HG2 LYS A 13 1.684 -8.376 -5.379 1.00 0.00 H new ATOM 0 HG3 LYS A 13 0.710 -6.922 -5.272 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -0.831 -8.762 -5.114 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -1.045 -8.093 -6.719 1.00 0.00 H new ATOM 0 HE2 LYS A 13 0.034 -9.904 -7.776 1.00 0.00 H new ATOM 0 HE3 LYS A 13 0.964 -10.322 -6.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -0.808 -11.905 -6.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -1.073 -11.078 -5.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -1.974 -10.673 -6.658 1.00 0.00 H new ATOM 186 N ILE A 14 2.296 -4.323 -8.126 1.00 0.00 N ATOM 187 CA ILE A 14 2.977 -3.071 -7.846 1.00 0.00 C ATOM 188 C ILE A 14 2.004 -1.908 -8.057 1.00 0.00 C ATOM 189 O ILE A 14 1.843 -1.063 -7.179 1.00 0.00 O ATOM 190 CB ILE A 14 4.258 -2.959 -8.677 1.00 0.00 C ATOM 191 CG1 ILE A 14 5.222 -1.942 -8.064 1.00 0.00 C ATOM 192 CG2 ILE A 14 3.937 -2.637 -10.138 1.00 0.00 C ATOM 193 CD1 ILE A 14 4.529 -0.597 -7.836 1.00 0.00 C ATOM 0 H ILE A 14 2.623 -4.809 -8.961 1.00 0.00 H new ATOM 0 HA ILE A 14 3.296 -3.036 -6.804 1.00 0.00 H new ATOM 0 HB ILE A 14 4.760 -3.926 -8.663 1.00 0.00 H new ATOM 0 HG12 ILE A 14 5.604 -2.323 -7.117 1.00 0.00 H new ATOM 0 HG13 ILE A 14 6.080 -1.806 -8.723 1.00 0.00 H new ATOM 0 HG21 ILE A 14 4.864 -2.563 -10.706 1.00 0.00 H new ATOM 0 HG22 ILE A 14 3.317 -3.429 -10.557 1.00 0.00 H new ATOM 0 HG23 ILE A 14 3.401 -1.689 -10.192 1.00 0.00 H new ATOM 0 HD11 ILE A 14 5.237 0.108 -7.399 1.00 0.00 H new ATOM 0 HD12 ILE A 14 4.169 -0.207 -8.788 1.00 0.00 H new ATOM 0 HD13 ILE A 14 3.687 -0.732 -7.158 1.00 0.00 H new ATOM 205 N ARG A 15 1.382 -1.904 -9.226 1.00 0.00 N ATOM 206 CA ARG A 15 0.429 -0.860 -9.563 1.00 0.00 C ATOM 207 C ARG A 15 -0.739 -0.868 -8.576 1.00 0.00 C ATOM 208 O ARG A 15 -1.114 0.175 -8.042 1.00 0.00 O ATOM 209 CB ARG A 15 -0.110 -1.044 -10.984 1.00 0.00 C ATOM 210 CG ARG A 15 -0.274 0.304 -11.687 1.00 0.00 C ATOM 211 CD ARG A 15 -1.741 0.572 -12.027 1.00 0.00 C ATOM 212 NE ARG A 15 -2.028 2.020 -11.927 1.00 0.00 N ATOM 213 CZ ARG A 15 -1.583 2.942 -12.808 1.00 0.00 C ATOM 214 NH1 ARG A 15 -0.827 2.572 -13.863 1.00 0.00 N ATOM 215 NH2 ARG A 15 -1.900 4.210 -12.621 1.00 0.00 N ATOM 0 H ARG A 15 1.519 -2.607 -9.952 1.00 0.00 H new ATOM 0 HA ARG A 15 0.950 0.096 -9.505 1.00 0.00 H new ATOM 0 HB2 ARG A 15 0.570 -1.676 -11.556 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -1.070 -1.559 -10.949 1.00 0.00 H new ATOM 0 HG2 ARG A 15 0.106 1.100 -11.047 1.00 0.00 H new ATOM 0 HG3 ARG A 15 0.322 0.317 -12.599 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -1.960 0.218 -13.035 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -2.388 0.017 -11.347 1.00 0.00 H new ATOM 0 HE ARG A 15 -2.597 2.342 -11.144 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -0.588 1.590 -14.000 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -0.495 3.274 -14.524 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -2.472 4.480 -11.821 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -1.572 4.920 -13.276 1.00 0.00 H new ATOM 228 N SER A 16 -1.283 -2.058 -8.361 1.00 0.00 N ATOM 229 CA SER A 16 -2.401 -2.216 -7.447 1.00 0.00 C ATOM 230 C SER A 16 -1.993 -1.776 -6.040 1.00 0.00 C ATOM 231 O SER A 16 -2.717 -1.028 -5.385 1.00 0.00 O ATOM 232 CB SER A 16 -2.897 -3.663 -7.428 1.00 0.00 C ATOM 233 OG SER A 16 -3.526 -4.028 -8.654 1.00 0.00 O ATOM 0 H SER A 16 -0.970 -2.921 -8.805 1.00 0.00 H new ATOM 0 HA SER A 16 -3.219 -1.585 -7.795 1.00 0.00 H new ATOM 0 HB2 SER A 16 -2.057 -4.332 -7.238 1.00 0.00 H new ATOM 0 HB3 SER A 16 -3.601 -3.794 -6.606 1.00 0.00 H new ATOM 0 HG SER A 16 -2.851 -4.093 -9.361 1.00 0.00 H new ATOM 239 N LEU A 17 -0.834 -2.259 -5.616 1.00 0.00 N ATOM 240 CA LEU A 17 -0.321 -1.926 -4.299 1.00 0.00 C ATOM 241 C LEU A 17 -0.171 -0.408 -4.184 1.00 0.00 C ATOM 242 O LEU A 17 -0.422 0.166 -3.125 1.00 0.00 O ATOM 243 CB LEU A 17 0.971 -2.694 -4.017 1.00 0.00 C ATOM 244 CG LEU A 17 0.806 -4.156 -3.595 1.00 0.00 C ATOM 245 CD1 LEU A 17 1.384 -4.392 -2.198 1.00 0.00 C ATOM 246 CD2 LEU A 17 -0.658 -4.591 -3.691 1.00 0.00 C ATOM 0 H LEU A 17 -0.236 -2.879 -6.162 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.024 -2.237 -3.527 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.591 -2.663 -4.913 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.518 -2.170 -3.233 1.00 0.00 H new ATOM 0 HG LEU A 17 1.373 -4.778 -4.287 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.254 -5.439 -1.922 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.446 -4.146 -2.197 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.865 -3.760 -1.478 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.749 -5.633 -3.386 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.267 -3.967 -3.036 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.003 -4.483 -4.719 1.00 0.00 H new ATOM 258 N GLN A 18 0.237 0.200 -5.288 1.00 0.00 N ATOM 259 CA GLN A 18 0.422 1.641 -5.325 1.00 0.00 C ATOM 260 C GLN A 18 -0.890 2.353 -4.994 1.00 0.00 C ATOM 261 O GLN A 18 -0.943 3.174 -4.079 1.00 0.00 O ATOM 262 CB GLN A 18 0.964 2.089 -6.683 1.00 0.00 C ATOM 263 CG GLN A 18 1.374 3.563 -6.650 1.00 0.00 C ATOM 264 CD GLN A 18 2.291 3.904 -7.827 1.00 0.00 C ATOM 265 OE1 GLN A 18 3.216 4.692 -7.720 1.00 0.00 O ATOM 266 NE2 GLN A 18 1.984 3.266 -8.954 1.00 0.00 N ATOM 0 H GLN A 18 0.445 -0.279 -6.164 1.00 0.00 H new ATOM 0 HA GLN A 18 1.159 1.913 -4.570 1.00 0.00 H new ATOM 0 HB2 GLN A 18 1.822 1.475 -6.957 1.00 0.00 H new ATOM 0 HB3 GLN A 18 0.205 1.936 -7.450 1.00 0.00 H new ATOM 0 HG2 GLN A 18 0.485 4.192 -6.683 1.00 0.00 H new ATOM 0 HG3 GLN A 18 1.884 3.781 -5.712 1.00 0.00 H new ATOM 0 HE21 GLN A 18 1.196 2.619 -8.975 1.00 0.00 H new ATOM 0 HE22 GLN A 18 2.537 3.424 -9.796 1.00 0.00 H new ATOM 275 N GLU A 19 -1.918 2.016 -5.759 1.00 0.00 N ATOM 276 CA GLU A 19 -3.227 2.613 -5.559 1.00 0.00 C ATOM 277 C GLU A 19 -3.692 2.403 -4.117 1.00 0.00 C ATOM 278 O GLU A 19 -4.183 3.333 -3.478 1.00 0.00 O ATOM 279 CB GLU A 19 -4.246 2.047 -6.551 1.00 0.00 C ATOM 280 CG GLU A 19 -3.810 2.312 -7.994 1.00 0.00 C ATOM 281 CD GLU A 19 -4.966 2.071 -8.968 1.00 0.00 C ATOM 282 OE1 GLU A 19 -6.134 2.048 -8.551 1.00 0.00 O ATOM 283 OE2 GLU A 19 -4.617 1.904 -10.198 1.00 0.00 O ATOM 0 H GLU A 19 -1.871 1.337 -6.519 1.00 0.00 H new ATOM 0 HA GLU A 19 -3.147 3.685 -5.742 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -4.357 0.974 -6.392 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -5.222 2.499 -6.373 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -3.458 3.339 -8.089 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -2.972 1.663 -8.250 1.00 0.00 H new ATOM 291 N GLN A 20 -3.522 1.176 -3.646 1.00 0.00 N ATOM 292 CA GLN A 20 -3.919 0.833 -2.291 1.00 0.00 C ATOM 293 C GLN A 20 -3.136 1.674 -1.280 1.00 0.00 C ATOM 294 O GLN A 20 -3.695 2.135 -0.287 1.00 0.00 O ATOM 295 CB GLN A 20 -3.727 -0.662 -2.026 1.00 0.00 C ATOM 296 CG GLN A 20 -3.620 -0.943 -0.526 1.00 0.00 C ATOM 297 CD GLN A 20 -3.893 -2.418 -0.224 1.00 0.00 C ATOM 298 OE1 GLN A 20 -4.520 -3.129 -0.991 1.00 0.00 O ATOM 299 NE2 GLN A 20 -3.387 -2.836 0.933 1.00 0.00 N ATOM 0 H GLN A 20 -3.115 0.407 -4.179 1.00 0.00 H new ATOM 0 HA GLN A 20 -4.980 1.056 -2.176 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -4.564 -1.220 -2.445 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -2.826 -1.012 -2.530 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -2.625 -0.674 -0.172 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -4.331 -0.319 0.016 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -2.872 -2.187 1.528 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -3.514 -3.805 1.225 1.00 0.00 H new ATOM 308 N ASN A 21 -1.854 1.847 -1.568 1.00 0.00 N ATOM 309 CA ASN A 21 -0.989 2.624 -0.697 1.00 0.00 C ATOM 310 C ASN A 21 -1.579 4.024 -0.516 1.00 0.00 C ATOM 311 O ASN A 21 -1.716 4.504 0.608 1.00 0.00 O ATOM 312 CB ASN A 21 0.409 2.775 -1.301 1.00 0.00 C ATOM 313 CG ASN A 21 1.352 1.690 -0.777 1.00 0.00 C ATOM 314 OD1 ASN A 21 2.553 1.873 -0.671 1.00 0.00 O ATOM 315 ND2 ASN A 21 0.743 0.553 -0.455 1.00 0.00 N ATOM 0 H ASN A 21 -1.394 1.462 -2.393 1.00 0.00 H new ATOM 0 HA ASN A 21 -0.915 2.102 0.257 1.00 0.00 H new ATOM 0 HB2 ASN A 21 0.348 2.715 -2.388 1.00 0.00 H new ATOM 0 HB3 ASN A 21 0.810 3.759 -1.058 1.00 0.00 H new ATOM 0 HD21 ASN A 21 1.286 -0.232 -0.095 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -0.267 0.466 -0.568 1.00 0.00 H new ATOM 322 N TYR A 22 -1.914 4.640 -1.641 1.00 0.00 N ATOM 323 CA TYR A 22 -2.487 5.975 -1.620 1.00 0.00 C ATOM 324 C TYR A 22 -3.919 5.950 -1.082 1.00 0.00 C ATOM 325 O TYR A 22 -4.426 6.966 -0.609 1.00 0.00 O ATOM 326 CB TYR A 22 -2.510 6.446 -3.076 1.00 0.00 C ATOM 327 CG TYR A 22 -1.160 6.954 -3.588 1.00 0.00 C ATOM 328 CD1 TYR A 22 -0.630 8.126 -3.090 1.00 0.00 C ATOM 329 CD2 TYR A 22 -0.474 6.238 -4.548 1.00 0.00 C ATOM 330 CE1 TYR A 22 0.640 8.603 -3.572 1.00 0.00 C ATOM 331 CE2 TYR A 22 0.797 6.716 -5.029 1.00 0.00 C ATOM 332 CZ TYR A 22 1.291 7.874 -4.518 1.00 0.00 C ATOM 333 OH TYR A 22 2.491 8.325 -4.973 1.00 0.00 O ATOM 0 H TYR A 22 -1.800 4.239 -2.572 1.00 0.00 H new ATOM 0 HA TYR A 22 -1.903 6.633 -0.976 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -2.840 5.622 -3.708 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -3.248 7.241 -3.178 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -1.167 8.686 -2.339 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -0.889 5.321 -4.938 1.00 0.00 H new ATOM 0 HE1 TYR A 22 1.066 9.519 -3.191 1.00 0.00 H new ATOM 0 HE2 TYR A 22 1.345 6.166 -5.779 1.00 0.00 H new ATOM 0 HH TYR A 22 2.841 7.703 -5.645 1.00 0.00 H new ATOM 343 N HIS A 23 -4.530 4.778 -1.172 1.00 0.00 N ATOM 344 CA HIS A 23 -5.893 4.607 -0.699 1.00 0.00 C ATOM 345 C HIS A 23 -5.902 4.545 0.829 1.00 0.00 C ATOM 346 O HIS A 23 -6.774 5.128 1.472 1.00 0.00 O ATOM 347 CB HIS A 23 -6.543 3.382 -1.347 1.00 0.00 C ATOM 348 CG HIS A 23 -7.920 3.642 -1.908 1.00 0.00 C ATOM 349 ND1 HIS A 23 -8.870 4.398 -1.243 1.00 0.00 N ATOM 350 CD2 HIS A 23 -8.497 3.239 -3.076 1.00 0.00 C ATOM 351 CE1 HIS A 23 -9.966 4.441 -1.987 1.00 0.00 C ATOM 352 NE2 HIS A 23 -9.733 3.722 -3.123 1.00 0.00 N ATOM 0 H HIS A 23 -4.106 3.938 -1.565 1.00 0.00 H new ATOM 0 HA HIS A 23 -6.496 5.465 -0.996 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -5.898 3.022 -2.148 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -6.608 2.584 -0.607 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -8.028 2.630 -3.835 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -10.883 4.955 -1.738 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -10.398 3.579 -3.883 1.00 0.00 H new ATOM 360 N LEU A 24 -4.923 3.833 1.367 1.00 0.00 N ATOM 361 CA LEU A 24 -4.808 3.688 2.808 1.00 0.00 C ATOM 362 C LEU A 24 -4.146 4.938 3.391 1.00 0.00 C ATOM 363 O LEU A 24 -4.416 5.312 4.531 1.00 0.00 O ATOM 364 CB LEU A 24 -4.081 2.387 3.158 1.00 0.00 C ATOM 365 CG LEU A 24 -4.761 1.095 2.700 1.00 0.00 C ATOM 366 CD1 LEU A 24 -3.724 0.017 2.375 1.00 0.00 C ATOM 367 CD2 LEU A 24 -5.782 0.615 3.733 1.00 0.00 C ATOM 0 H LEU A 24 -4.202 3.350 0.831 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.795 3.608 3.263 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -3.083 2.423 2.722 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -3.955 2.344 4.240 1.00 0.00 H new ATOM 0 HG LEU A 24 -5.309 1.304 1.781 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -4.232 -0.891 2.052 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -3.070 0.370 1.578 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.130 -0.196 3.264 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -6.250 -0.305 3.382 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.279 0.427 4.682 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -6.546 1.380 3.873 1.00 0.00 H new ATOM 379 N GLU A 25 -3.295 5.550 2.582 1.00 0.00 N ATOM 380 CA GLU A 25 -2.593 6.750 3.004 1.00 0.00 C ATOM 381 C GLU A 25 -3.570 7.921 3.127 1.00 0.00 C ATOM 382 O GLU A 25 -3.535 8.663 4.107 1.00 0.00 O ATOM 383 CB GLU A 25 -1.454 7.087 2.040 1.00 0.00 C ATOM 384 CG GLU A 25 -0.911 8.494 2.301 1.00 0.00 C ATOM 385 CD GLU A 25 0.197 8.847 1.308 1.00 0.00 C ATOM 386 OE1 GLU A 25 0.003 8.716 0.089 1.00 0.00 O ATOM 387 OE2 GLU A 25 1.292 9.274 1.840 1.00 0.00 O ATOM 0 H GLU A 25 -3.075 5.238 1.636 1.00 0.00 H new ATOM 0 HA GLU A 25 -2.153 6.564 3.984 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -0.652 6.358 2.151 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -1.810 7.016 1.012 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -1.720 9.220 2.222 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -0.525 8.556 3.319 1.00 0.00 H new ATOM 395 N ASN A 26 -4.420 8.049 2.119 1.00 0.00 N ATOM 396 CA ASN A 26 -5.405 9.117 2.102 1.00 0.00 C ATOM 397 C ASN A 26 -6.575 8.740 3.014 1.00 0.00 C ATOM 398 O ASN A 26 -7.213 9.611 3.601 1.00 0.00 O ATOM 399 CB ASN A 26 -5.957 9.335 0.692 1.00 0.00 C ATOM 400 CG ASN A 26 -4.882 9.909 -0.234 1.00 0.00 C ATOM 401 OD1 ASN A 26 -4.125 10.796 0.126 1.00 0.00 O ATOM 402 ND2 ASN A 26 -4.860 9.357 -1.444 1.00 0.00 N ATOM 0 H ASN A 26 -4.447 7.431 1.308 1.00 0.00 H new ATOM 0 HA ASN A 26 -4.918 10.030 2.444 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -6.322 8.390 0.290 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -6.809 10.014 0.732 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -4.180 9.672 -2.136 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -5.523 8.618 -1.680 1.00 0.00 H new ATOM 409 N GLU A 27 -6.819 7.441 3.103 1.00 0.00 N ATOM 410 CA GLU A 27 -7.900 6.938 3.933 1.00 0.00 C ATOM 411 C GLU A 27 -7.560 7.117 5.414 1.00 0.00 C ATOM 412 O GLU A 27 -8.392 7.576 6.195 1.00 0.00 O ATOM 413 CB GLU A 27 -8.200 5.472 3.614 1.00 0.00 C ATOM 414 CG GLU A 27 -9.164 4.873 4.640 1.00 0.00 C ATOM 415 CD GLU A 27 -10.598 5.348 4.388 1.00 0.00 C ATOM 416 OE1 GLU A 27 -11.085 6.248 5.086 1.00 0.00 O ATOM 417 OE2 GLU A 27 -11.210 4.744 3.426 1.00 0.00 O ATOM 0 H GLU A 27 -6.287 6.722 2.614 1.00 0.00 H new ATOM 0 HA GLU A 27 -8.798 7.515 3.714 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -8.631 5.394 2.616 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -7.272 4.901 3.605 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -9.123 3.785 4.590 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -8.854 5.158 5.645 1.00 0.00 H new ATOM 425 N VAL A 28 -6.335 6.746 5.756 1.00 0.00 N ATOM 426 CA VAL A 28 -5.875 6.860 7.130 1.00 0.00 C ATOM 427 C VAL A 28 -5.763 8.340 7.504 1.00 0.00 C ATOM 428 O VAL A 28 -6.289 8.766 8.531 1.00 0.00 O ATOM 429 CB VAL A 28 -4.559 6.098 7.306 1.00 0.00 C ATOM 430 CG1 VAL A 28 -3.370 6.944 6.848 1.00 0.00 C ATOM 431 CG2 VAL A 28 -4.381 5.639 8.754 1.00 0.00 C ATOM 0 H VAL A 28 -5.647 6.366 5.106 1.00 0.00 H new ATOM 0 HA VAL A 28 -6.593 6.405 7.813 1.00 0.00 H new ATOM 0 HB VAL A 28 -4.599 5.209 6.676 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -2.448 6.379 6.984 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -3.488 7.198 5.795 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.325 7.859 7.439 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -3.438 5.100 8.852 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -4.373 6.508 9.413 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -5.205 4.982 9.031 1.00 0.00 H new ATOM 441 N ALA A 29 -5.074 9.083 6.650 1.00 0.00 N ATOM 442 CA ALA A 29 -4.886 10.505 6.878 1.00 0.00 C ATOM 443 C ALA A 29 -6.247 11.164 7.112 1.00 0.00 C ATOM 444 O ALA A 29 -6.484 11.751 8.167 1.00 0.00 O ATOM 445 CB ALA A 29 -4.137 11.119 5.694 1.00 0.00 C ATOM 0 H ALA A 29 -4.639 8.726 5.799 1.00 0.00 H new ATOM 0 HA ALA A 29 -4.280 10.673 7.768 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -3.997 12.186 5.866 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -3.165 10.637 5.589 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -4.715 10.972 4.782 1.00 0.00 H new ATOM 451 N ARG A 30 -7.107 11.044 6.111 1.00 0.00 N ATOM 452 CA ARG A 30 -8.438 11.620 6.193 1.00 0.00 C ATOM 453 C ARG A 30 -9.219 10.990 7.349 1.00 0.00 C ATOM 454 O ARG A 30 -10.118 11.614 7.908 1.00 0.00 O ATOM 455 CB ARG A 30 -9.211 11.410 4.889 1.00 0.00 C ATOM 456 CG ARG A 30 -10.538 12.171 4.911 1.00 0.00 C ATOM 457 CD ARG A 30 -11.678 11.300 4.380 1.00 0.00 C ATOM 458 NE ARG A 30 -12.959 12.036 4.461 1.00 0.00 N ATOM 459 CZ ARG A 30 -14.121 11.597 3.933 1.00 0.00 C ATOM 460 NH1 ARG A 30 -14.172 10.416 3.279 1.00 0.00 N ATOM 461 NH2 ARG A 30 -15.205 12.337 4.065 1.00 0.00 N ATOM 0 H ARG A 30 -6.907 10.556 5.238 1.00 0.00 H new ATOM 0 HA ARG A 30 -8.326 12.690 6.367 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -8.608 11.747 4.046 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -9.400 10.347 4.741 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -10.762 12.489 5.929 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -10.454 13.074 4.307 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -11.478 11.015 3.347 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -11.742 10.378 4.958 1.00 0.00 H new ATOM 0 HE ARG A 30 -12.964 12.933 4.947 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -13.329 9.850 3.182 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -15.054 10.090 2.882 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -15.158 13.227 4.561 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -16.091 12.019 3.672 1.00 0.00 H new ATOM 474 N LEU A 31 -8.845 9.760 7.671 1.00 0.00 N ATOM 475 CA LEU A 31 -9.499 9.038 8.749 1.00 0.00 C ATOM 476 C LEU A 31 -9.233 9.756 10.073 1.00 0.00 C ATOM 477 O LEU A 31 -10.134 10.371 10.642 1.00 0.00 O ATOM 478 CB LEU A 31 -9.068 7.569 8.749 1.00 0.00 C ATOM 479 CG LEU A 31 -9.400 6.773 10.012 1.00 0.00 C ATOM 480 CD1 LEU A 31 -10.905 6.518 10.121 1.00 0.00 C ATOM 481 CD2 LEU A 31 -8.593 5.475 10.071 1.00 0.00 C ATOM 0 H LEU A 31 -8.098 9.246 7.204 1.00 0.00 H new ATOM 0 HA LEU A 31 -10.579 9.030 8.601 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -9.536 7.074 7.898 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.991 7.527 8.590 1.00 0.00 H new ATOM 0 HG LEU A 31 -9.112 7.371 10.877 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -11.113 5.950 11.028 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -11.434 7.470 10.160 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -11.242 5.951 9.253 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -8.849 4.929 10.979 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -8.826 4.862 9.201 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -7.528 5.708 10.076 1.00 0.00 H new ATOM 493 N LYS A 32 -7.991 9.657 10.525 1.00 0.00 N ATOM 494 CA LYS A 32 -7.595 10.289 11.772 1.00 0.00 C ATOM 495 C LYS A 32 -8.032 11.756 11.756 1.00 0.00 C ATOM 496 O LYS A 32 -8.210 12.366 12.809 1.00 0.00 O ATOM 497 CB LYS A 32 -6.098 10.097 12.017 1.00 0.00 C ATOM 498 CG LYS A 32 -5.287 11.230 11.383 1.00 0.00 C ATOM 499 CD LYS A 32 -4.604 10.760 10.096 1.00 0.00 C ATOM 500 CE LYS A 32 -3.582 9.659 10.389 1.00 0.00 C ATOM 501 NZ LYS A 32 -2.639 10.095 11.444 1.00 0.00 N ATOM 0 H LYS A 32 -7.246 9.148 10.049 1.00 0.00 H new ATOM 0 HA LYS A 32 -8.097 9.815 12.616 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -5.903 10.062 13.089 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -5.778 9.141 11.603 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -5.942 12.073 11.165 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -4.536 11.584 12.089 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -5.353 10.389 9.397 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -4.108 11.603 9.614 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -4.097 8.752 10.705 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -3.032 9.414 9.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -1.791 9.493 11.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -2.366 11.085 11.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -3.097 10.014 12.374 1.00 0.00 H new ATOM 514 N LYS A 33 -8.193 12.280 10.549 1.00 0.00 N ATOM 515 CA LYS A 33 -8.607 13.662 10.381 1.00 0.00 C ATOM 516 C LYS A 33 -10.111 13.774 10.636 1.00 0.00 C ATOM 517 O LYS A 33 -10.581 14.781 11.162 1.00 0.00 O ATOM 518 CB LYS A 33 -8.173 14.190 9.012 1.00 0.00 C ATOM 519 CG LYS A 33 -8.540 15.666 8.852 1.00 0.00 C ATOM 520 CD LYS A 33 -7.535 16.386 7.951 1.00 0.00 C ATOM 521 CE LYS A 33 -6.573 17.242 8.778 1.00 0.00 C ATOM 522 NZ LYS A 33 -7.183 18.553 9.089 1.00 0.00 N ATOM 0 H LYS A 33 -8.044 11.771 9.678 1.00 0.00 H new ATOM 0 HA LYS A 33 -8.111 14.300 11.113 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -7.097 14.064 8.894 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -8.650 13.606 8.225 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -9.541 15.752 8.428 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -8.566 16.146 9.830 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -6.971 15.655 7.372 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -8.067 17.016 7.238 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -6.319 16.724 9.703 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -5.643 17.388 8.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -6.517 19.121 9.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -7.403 19.052 8.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -8.058 18.409 9.632 1.00 0.00 H new ATOM 535 N LEU A 34 -10.824 12.727 10.248 1.00 0.00 N ATOM 536 CA LEU A 34 -12.265 12.695 10.427 1.00 0.00 C ATOM 537 C LEU A 34 -12.588 12.316 11.874 1.00 0.00 C ATOM 538 O LEU A 34 -13.274 13.057 12.576 1.00 0.00 O ATOM 539 CB LEU A 34 -12.914 11.775 9.391 1.00 0.00 C ATOM 540 CG LEU A 34 -14.336 12.145 8.962 1.00 0.00 C ATOM 541 CD1 LEU A 34 -15.290 12.130 10.157 1.00 0.00 C ATOM 542 CD2 LEU A 34 -14.354 13.487 8.228 1.00 0.00 C ATOM 0 H LEU A 34 -10.430 11.894 9.810 1.00 0.00 H new ATOM 0 HA LEU A 34 -12.691 13.683 10.254 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -12.281 11.757 8.504 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -12.929 10.762 9.793 1.00 0.00 H new ATOM 0 HG LEU A 34 -14.690 11.390 8.260 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -16.293 12.396 9.825 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -15.306 11.133 10.597 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -14.951 12.850 10.902 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -15.376 13.727 7.934 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -13.973 14.267 8.887 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -13.726 13.424 7.339 1.00 0.00 H new ATOM 554 N VAL A 35 -12.076 11.161 12.277 1.00 0.00 N ATOM 555 CA VAL A 35 -12.301 10.675 13.628 1.00 0.00 C ATOM 556 C VAL A 35 -11.838 11.734 14.631 1.00 0.00 C ATOM 557 O VAL A 35 -12.642 12.265 15.394 1.00 0.00 O ATOM 558 CB VAL A 35 -11.607 9.325 13.819 1.00 0.00 C ATOM 559 CG1 VAL A 35 -12.599 8.171 13.665 1.00 0.00 C ATOM 560 CG2 VAL A 35 -10.431 9.171 12.853 1.00 0.00 C ATOM 0 H VAL A 35 -11.507 10.549 11.692 1.00 0.00 H new ATOM 0 HA VAL A 35 -13.364 10.507 13.802 1.00 0.00 H new ATOM 0 HB VAL A 35 -11.212 9.293 14.834 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -12.079 7.223 13.806 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -13.387 8.267 14.412 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -13.038 8.199 12.668 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -9.956 8.203 13.010 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -10.792 9.236 11.827 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -9.706 9.965 13.033 1.00 0.00 H new ATOM 719 N VAL B 10 10.469 -2.776 -10.114 1.00 0.00 N ATOM 720 CA VAL B 10 9.104 -3.113 -9.748 1.00 0.00 C ATOM 721 C VAL B 10 9.121 -4.087 -8.568 1.00 0.00 C ATOM 722 O VAL B 10 8.192 -4.109 -7.763 1.00 0.00 O ATOM 723 CB VAL B 10 8.357 -3.662 -10.966 1.00 0.00 C ATOM 724 CG1 VAL B 10 7.073 -4.380 -10.543 1.00 0.00 C ATOM 725 CG2 VAL B 10 8.058 -2.551 -11.973 1.00 0.00 C ATOM 0 HA VAL B 10 8.564 -2.223 -9.425 1.00 0.00 H new ATOM 0 HB VAL B 10 9.003 -4.391 -11.455 1.00 0.00 H new ATOM 0 HG11 VAL B 10 6.561 -4.761 -11.427 1.00 0.00 H new ATOM 0 HG12 VAL B 10 7.321 -5.210 -9.882 1.00 0.00 H new ATOM 0 HG13 VAL B 10 6.421 -3.681 -10.019 1.00 0.00 H new ATOM 0 HG21 VAL B 10 7.527 -2.969 -12.828 1.00 0.00 H new ATOM 0 HG22 VAL B 10 7.440 -1.788 -11.500 1.00 0.00 H new ATOM 0 HG23 VAL B 10 8.993 -2.104 -12.310 1.00 0.00 H new ATOM 735 N ARG B 11 10.189 -4.869 -8.503 1.00 0.00 N ATOM 736 CA ARG B 11 10.339 -5.842 -7.436 1.00 0.00 C ATOM 737 C ARG B 11 10.554 -5.133 -6.097 1.00 0.00 C ATOM 738 O ARG B 11 10.075 -5.594 -5.062 1.00 0.00 O ATOM 739 CB ARG B 11 11.521 -6.777 -7.705 1.00 0.00 C ATOM 740 CG ARG B 11 11.895 -7.564 -6.447 1.00 0.00 C ATOM 741 CD ARG B 11 12.545 -8.901 -6.810 1.00 0.00 C ATOM 742 NE ARG B 11 12.260 -9.904 -5.760 1.00 0.00 N ATOM 743 CZ ARG B 11 12.858 -9.923 -4.549 1.00 0.00 C ATOM 744 NH1 ARG B 11 13.779 -8.991 -4.226 1.00 0.00 N ATOM 745 NH2 ARG B 11 12.527 -10.866 -3.687 1.00 0.00 N ATOM 0 H ARG B 11 10.958 -4.848 -9.172 1.00 0.00 H new ATOM 0 HA ARG B 11 9.424 -6.433 -7.396 1.00 0.00 H new ATOM 0 HB2 ARG B 11 11.267 -7.468 -8.509 1.00 0.00 H new ATOM 0 HB3 ARG B 11 12.379 -6.196 -8.043 1.00 0.00 H new ATOM 0 HG2 ARG B 11 12.580 -6.976 -5.836 1.00 0.00 H new ATOM 0 HG3 ARG B 11 11.003 -7.740 -5.845 1.00 0.00 H new ATOM 0 HD2 ARG B 11 12.166 -9.250 -7.770 1.00 0.00 H new ATOM 0 HD3 ARG B 11 13.622 -8.773 -6.920 1.00 0.00 H new ATOM 0 HE ARG B 11 11.569 -10.626 -5.963 1.00 0.00 H new ATOM 0 HH11 ARG B 11 14.028 -8.266 -4.898 1.00 0.00 H new ATOM 0 HH12 ARG B 11 14.226 -9.012 -3.309 1.00 0.00 H new ATOM 0 HH21 ARG B 11 11.829 -11.566 -3.940 1.00 0.00 H new ATOM 0 HH22 ARG B 11 12.969 -10.895 -2.768 1.00 0.00 H new ATOM 758 N ARG B 12 11.277 -4.024 -6.161 1.00 0.00 N ATOM 759 CA ARG B 12 11.561 -3.247 -4.967 1.00 0.00 C ATOM 760 C ARG B 12 10.369 -2.350 -4.620 1.00 0.00 C ATOM 761 O ARG B 12 10.120 -2.068 -3.449 1.00 0.00 O ATOM 762 CB ARG B 12 12.805 -2.377 -5.159 1.00 0.00 C ATOM 763 CG ARG B 12 13.124 -1.588 -3.887 1.00 0.00 C ATOM 764 CD ARG B 12 13.081 -0.082 -4.152 1.00 0.00 C ATOM 765 NE ARG B 12 13.199 0.659 -2.876 1.00 0.00 N ATOM 766 CZ ARG B 12 13.059 1.997 -2.762 1.00 0.00 C ATOM 767 NH1 ARG B 12 12.796 2.753 -3.849 1.00 0.00 N ATOM 768 NH2 ARG B 12 13.185 2.556 -1.573 1.00 0.00 N ATOM 0 H ARG B 12 11.674 -3.646 -7.021 1.00 0.00 H new ATOM 0 HA ARG B 12 11.743 -3.947 -4.152 1.00 0.00 H new ATOM 0 HB2 ARG B 12 13.655 -3.005 -5.424 1.00 0.00 H new ATOM 0 HB3 ARG B 12 12.647 -1.688 -5.989 1.00 0.00 H new ATOM 0 HG2 ARG B 12 12.408 -1.844 -3.106 1.00 0.00 H new ATOM 0 HG3 ARG B 12 14.111 -1.868 -3.519 1.00 0.00 H new ATOM 0 HD2 ARG B 12 13.892 0.201 -4.823 1.00 0.00 H new ATOM 0 HD3 ARG B 12 12.148 0.182 -4.650 1.00 0.00 H new ATOM 0 HE ARG B 12 13.399 0.125 -2.030 1.00 0.00 H new ATOM 0 HH11 ARG B 12 12.702 2.314 -4.765 1.00 0.00 H new ATOM 0 HH12 ARG B 12 12.692 3.763 -3.754 1.00 0.00 H new ATOM 0 HH21 ARG B 12 13.385 1.978 -0.757 1.00 0.00 H new ATOM 0 HH22 ARG B 12 13.082 3.566 -1.471 1.00 0.00 H new ATOM 781 N LYS B 13 9.666 -1.928 -5.660 1.00 0.00 N ATOM 782 CA LYS B 13 8.508 -1.069 -5.481 1.00 0.00 C ATOM 783 C LYS B 13 7.326 -1.910 -4.995 1.00 0.00 C ATOM 784 O LYS B 13 6.502 -1.437 -4.214 1.00 0.00 O ATOM 785 CB LYS B 13 8.218 -0.284 -6.763 1.00 0.00 C ATOM 786 CG LYS B 13 8.292 1.223 -6.512 1.00 0.00 C ATOM 787 CD LYS B 13 8.140 2.005 -7.817 1.00 0.00 C ATOM 788 CE LYS B 13 7.879 3.487 -7.542 1.00 0.00 C ATOM 789 NZ LYS B 13 7.398 4.165 -8.766 1.00 0.00 N ATOM 0 H LYS B 13 9.876 -2.165 -6.630 1.00 0.00 H new ATOM 0 HA LYS B 13 8.705 -0.320 -4.714 1.00 0.00 H new ATOM 0 HB2 LYS B 13 8.935 -0.563 -7.535 1.00 0.00 H new ATOM 0 HB3 LYS B 13 7.228 -0.546 -7.138 1.00 0.00 H new ATOM 0 HG2 LYS B 13 7.508 1.518 -5.814 1.00 0.00 H new ATOM 0 HG3 LYS B 13 9.245 1.471 -6.044 1.00 0.00 H new ATOM 0 HD2 LYS B 13 9.043 1.897 -8.417 1.00 0.00 H new ATOM 0 HD3 LYS B 13 7.318 1.590 -8.400 1.00 0.00 H new ATOM 0 HE2 LYS B 13 7.140 3.591 -6.748 1.00 0.00 H new ATOM 0 HE3 LYS B 13 8.794 3.964 -7.191 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 7.226 5.170 -8.561 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 8.116 4.082 -9.514 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 6.514 3.720 -9.084 1.00 0.00 H new ATOM 802 N ILE B 14 7.280 -3.143 -5.477 1.00 0.00 N ATOM 803 CA ILE B 14 6.213 -4.055 -5.101 1.00 0.00 C ATOM 804 C ILE B 14 6.427 -4.517 -3.659 1.00 0.00 C ATOM 805 O ILE B 14 5.517 -4.435 -2.835 1.00 0.00 O ATOM 806 CB ILE B 14 6.110 -5.204 -6.107 1.00 0.00 C ATOM 807 CG1 ILE B 14 4.735 -5.870 -6.040 1.00 0.00 C ATOM 808 CG2 ILE B 14 7.245 -6.209 -5.907 1.00 0.00 C ATOM 809 CD1 ILE B 14 4.372 -6.236 -4.598 1.00 0.00 C ATOM 0 H ILE B 14 7.965 -3.532 -6.125 1.00 0.00 H new ATOM 0 HA ILE B 14 5.249 -3.547 -5.133 1.00 0.00 H new ATOM 0 HB ILE B 14 6.218 -4.791 -7.110 1.00 0.00 H new ATOM 0 HG12 ILE B 14 3.981 -5.198 -6.449 1.00 0.00 H new ATOM 0 HG13 ILE B 14 4.731 -6.767 -6.659 1.00 0.00 H new ATOM 0 HG21 ILE B 14 7.149 -7.016 -6.634 1.00 0.00 H new ATOM 0 HG22 ILE B 14 8.203 -5.708 -6.045 1.00 0.00 H new ATOM 0 HG23 ILE B 14 7.193 -6.621 -4.899 1.00 0.00 H new ATOM 0 HD11 ILE B 14 3.390 -6.708 -4.579 1.00 0.00 H new ATOM 0 HD12 ILE B 14 5.115 -6.928 -4.200 1.00 0.00 H new ATOM 0 HD13 ILE B 14 4.353 -5.333 -3.987 1.00 0.00 H new ATOM 821 N ARG B 15 7.635 -4.994 -3.397 1.00 0.00 N ATOM 822 CA ARG B 15 7.980 -5.470 -2.069 1.00 0.00 C ATOM 823 C ARG B 15 7.804 -4.350 -1.041 1.00 0.00 C ATOM 824 O ARG B 15 7.137 -4.536 -0.024 1.00 0.00 O ATOM 825 CB ARG B 15 9.426 -5.971 -2.021 1.00 0.00 C ATOM 826 CG ARG B 15 9.738 -6.619 -0.671 1.00 0.00 C ATOM 827 CD ARG B 15 11.215 -6.453 -0.311 1.00 0.00 C ATOM 828 NE ARG B 15 11.769 -7.741 0.161 1.00 0.00 N ATOM 829 CZ ARG B 15 11.372 -8.368 1.290 1.00 0.00 C ATOM 830 NH1 ARG B 15 10.411 -7.829 2.071 1.00 0.00 N ATOM 831 NH2 ARG B 15 11.935 -9.515 1.616 1.00 0.00 N ATOM 0 H ARG B 15 8.387 -5.061 -4.083 1.00 0.00 H new ATOM 0 HA ARG B 15 7.312 -6.297 -1.830 1.00 0.00 H new ATOM 0 HB2 ARG B 15 9.591 -6.692 -2.821 1.00 0.00 H new ATOM 0 HB3 ARG B 15 10.109 -5.139 -2.195 1.00 0.00 H new ATOM 0 HG2 ARG B 15 9.118 -6.169 0.104 1.00 0.00 H new ATOM 0 HG3 ARG B 15 9.485 -7.679 -0.705 1.00 0.00 H new ATOM 0 HD2 ARG B 15 11.773 -6.105 -1.180 1.00 0.00 H new ATOM 0 HD3 ARG B 15 11.326 -5.694 0.464 1.00 0.00 H new ATOM 0 HE ARG B 15 12.496 -8.183 -0.401 1.00 0.00 H new ATOM 0 HH11 ARG B 15 9.979 -6.942 1.810 1.00 0.00 H new ATOM 0 HH12 ARG B 15 10.117 -8.309 2.922 1.00 0.00 H new ATOM 0 HH21 ARG B 15 12.659 -9.916 1.019 1.00 0.00 H new ATOM 0 HH22 ARG B 15 11.647 -10.001 2.465 1.00 0.00 H new ATOM 844 N SER B 16 8.412 -3.212 -1.342 1.00 0.00 N ATOM 845 CA SER B 16 8.329 -2.063 -0.457 1.00 0.00 C ATOM 846 C SER B 16 6.865 -1.675 -0.238 1.00 0.00 C ATOM 847 O SER B 16 6.430 -1.498 0.898 1.00 0.00 O ATOM 848 CB SER B 16 9.114 -0.877 -1.019 1.00 0.00 C ATOM 849 OG SER B 16 10.510 -0.983 -0.750 1.00 0.00 O ATOM 0 H SER B 16 8.964 -3.061 -2.186 1.00 0.00 H new ATOM 0 HA SER B 16 8.773 -2.336 0.500 1.00 0.00 H new ATOM 0 HB2 SER B 16 8.956 -0.816 -2.096 1.00 0.00 H new ATOM 0 HB3 SER B 16 8.731 0.048 -0.588 1.00 0.00 H new ATOM 0 HG SER B 16 10.962 -1.384 -1.521 1.00 0.00 H new ATOM 855 N LEU B 17 6.146 -1.556 -1.344 1.00 0.00 N ATOM 856 CA LEU B 17 4.741 -1.192 -1.288 1.00 0.00 C ATOM 857 C LEU B 17 3.990 -2.209 -0.425 1.00 0.00 C ATOM 858 O LEU B 17 3.114 -1.839 0.355 1.00 0.00 O ATOM 859 CB LEU B 17 4.169 -1.042 -2.699 1.00 0.00 C ATOM 860 CG LEU B 17 4.483 0.273 -3.414 1.00 0.00 C ATOM 861 CD1 LEU B 17 3.215 1.110 -3.605 1.00 0.00 C ATOM 862 CD2 LEU B 17 5.576 1.050 -2.677 1.00 0.00 C ATOM 0 H LEU B 17 6.511 -1.705 -2.285 1.00 0.00 H new ATOM 0 HA LEU B 17 4.618 -0.218 -0.815 1.00 0.00 H new ATOM 0 HB2 LEU B 17 4.543 -1.863 -3.310 1.00 0.00 H new ATOM 0 HB3 LEU B 17 3.086 -1.153 -2.644 1.00 0.00 H new ATOM 0 HG LEU B 17 4.867 0.039 -4.407 1.00 0.00 H new ATOM 0 HD11 LEU B 17 3.466 2.040 -4.116 1.00 0.00 H new ATOM 0 HD12 LEU B 17 2.496 0.550 -4.203 1.00 0.00 H new ATOM 0 HD13 LEU B 17 2.779 1.337 -2.632 1.00 0.00 H new ATOM 0 HD21 LEU B 17 5.780 1.981 -3.206 1.00 0.00 H new ATOM 0 HD22 LEU B 17 5.243 1.274 -1.664 1.00 0.00 H new ATOM 0 HD23 LEU B 17 6.485 0.449 -2.636 1.00 0.00 H new ATOM 874 N GLN B 18 4.360 -3.469 -0.594 1.00 0.00 N ATOM 875 CA GLN B 18 3.733 -4.541 0.159 1.00 0.00 C ATOM 876 C GLN B 18 3.814 -4.253 1.659 1.00 0.00 C ATOM 877 O GLN B 18 2.813 -4.351 2.368 1.00 0.00 O ATOM 878 CB GLN B 18 4.370 -5.891 -0.174 1.00 0.00 C ATOM 879 CG GLN B 18 3.611 -7.037 0.499 1.00 0.00 C ATOM 880 CD GLN B 18 4.577 -8.109 1.009 1.00 0.00 C ATOM 881 OE1 GLN B 18 4.660 -8.396 2.192 1.00 0.00 O ATOM 882 NE2 GLN B 18 5.300 -8.685 0.052 1.00 0.00 N ATOM 0 H GLN B 18 5.087 -3.772 -1.242 1.00 0.00 H new ATOM 0 HA GLN B 18 2.682 -4.592 -0.126 1.00 0.00 H new ATOM 0 HB2 GLN B 18 4.375 -6.038 -1.254 1.00 0.00 H new ATOM 0 HB3 GLN B 18 5.410 -5.897 0.153 1.00 0.00 H new ATOM 0 HG2 GLN B 18 3.021 -6.649 1.329 1.00 0.00 H new ATOM 0 HG3 GLN B 18 2.911 -7.480 -0.210 1.00 0.00 H new ATOM 0 HE21 GLN B 18 5.181 -8.398 -0.920 1.00 0.00 H new ATOM 0 HE22 GLN B 18 5.973 -9.414 0.290 1.00 0.00 H new ATOM 891 N GLU B 19 5.013 -3.903 2.100 1.00 0.00 N ATOM 892 CA GLU B 19 5.236 -3.599 3.503 1.00 0.00 C ATOM 893 C GLU B 19 4.376 -2.409 3.932 1.00 0.00 C ATOM 894 O GLU B 19 3.823 -2.403 5.030 1.00 0.00 O ATOM 895 CB GLU B 19 6.718 -3.332 3.776 1.00 0.00 C ATOM 896 CG GLU B 19 7.547 -4.605 3.596 1.00 0.00 C ATOM 897 CD GLU B 19 8.819 -4.556 4.446 1.00 0.00 C ATOM 898 OE1 GLU B 19 9.626 -3.626 4.300 1.00 0.00 O ATOM 899 OE2 GLU B 19 8.954 -5.529 5.281 1.00 0.00 O ATOM 0 H GLU B 19 5.841 -3.823 1.510 1.00 0.00 H new ATOM 0 HA GLU B 19 4.941 -4.466 4.094 1.00 0.00 H new ATOM 0 HB2 GLU B 19 7.082 -2.558 3.100 1.00 0.00 H new ATOM 0 HB3 GLU B 19 6.842 -2.953 4.791 1.00 0.00 H new ATOM 0 HG2 GLU B 19 6.951 -5.474 3.876 1.00 0.00 H new ATOM 0 HG3 GLU B 19 7.812 -4.725 2.546 1.00 0.00 H new ATOM 907 N GLN B 20 4.291 -1.430 3.043 1.00 0.00 N ATOM 908 CA GLN B 20 3.508 -0.238 3.317 1.00 0.00 C ATOM 909 C GLN B 20 2.014 -0.568 3.298 1.00 0.00 C ATOM 910 O GLN B 20 1.225 0.068 3.997 1.00 0.00 O ATOM 911 CB GLN B 20 3.835 0.875 2.318 1.00 0.00 C ATOM 912 CG GLN B 20 2.718 1.920 2.275 1.00 0.00 C ATOM 913 CD GLN B 20 3.155 3.156 1.487 1.00 0.00 C ATOM 914 OE1 GLN B 20 4.330 3.454 1.349 1.00 0.00 O ATOM 915 NE2 GLN B 20 2.146 3.858 0.979 1.00 0.00 N ATOM 0 H GLN B 20 4.751 -1.438 2.133 1.00 0.00 H new ATOM 0 HA GLN B 20 3.769 0.123 4.312 1.00 0.00 H new ATOM 0 HB2 GLN B 20 4.774 1.353 2.596 1.00 0.00 H new ATOM 0 HB3 GLN B 20 3.976 0.447 1.325 1.00 0.00 H new ATOM 0 HG2 GLN B 20 1.828 1.488 1.817 1.00 0.00 H new ATOM 0 HG3 GLN B 20 2.446 2.209 3.290 1.00 0.00 H new ATOM 0 HE21 GLN B 20 1.185 3.553 1.132 1.00 0.00 H new ATOM 0 HE22 GLN B 20 2.334 4.701 0.437 1.00 0.00 H new ATOM 924 N ASN B 21 1.669 -1.561 2.492 1.00 0.00 N ATOM 925 CA ASN B 21 0.285 -1.983 2.374 1.00 0.00 C ATOM 926 C ASN B 21 -0.193 -2.532 3.719 1.00 0.00 C ATOM 927 O ASN B 21 -1.273 -2.178 4.190 1.00 0.00 O ATOM 928 CB ASN B 21 0.134 -3.092 1.330 1.00 0.00 C ATOM 929 CG ASN B 21 -0.189 -2.508 -0.047 1.00 0.00 C ATOM 930 OD1 ASN B 21 -1.316 -2.537 -0.513 1.00 0.00 O ATOM 931 ND2 ASN B 21 0.860 -1.980 -0.670 1.00 0.00 N ATOM 0 H ASN B 21 2.325 -2.086 1.914 1.00 0.00 H new ATOM 0 HA ASN B 21 -0.306 -1.119 2.070 1.00 0.00 H new ATOM 0 HB2 ASN B 21 1.055 -3.673 1.276 1.00 0.00 H new ATOM 0 HB3 ASN B 21 -0.658 -3.777 1.633 1.00 0.00 H new ATOM 0 HD21 ASN B 21 0.748 -1.566 -1.595 1.00 0.00 H new ATOM 0 HD22 ASN B 21 1.777 -1.989 -0.223 1.00 0.00 H new ATOM 938 N TYR B 22 0.634 -3.389 4.300 1.00 0.00 N ATOM 939 CA TYR B 22 0.310 -3.990 5.583 1.00 0.00 C ATOM 940 C TYR B 22 0.520 -2.993 6.724 1.00 0.00 C ATOM 941 O TYR B 22 -0.112 -3.105 7.774 1.00 0.00 O ATOM 942 CB TYR B 22 1.281 -5.160 5.757 1.00 0.00 C ATOM 943 CG TYR B 22 0.600 -6.489 6.086 1.00 0.00 C ATOM 944 CD1 TYR B 22 -0.402 -6.536 7.034 1.00 0.00 C ATOM 945 CD2 TYR B 22 0.986 -7.643 5.434 1.00 0.00 C ATOM 946 CE1 TYR B 22 -1.043 -7.788 7.343 1.00 0.00 C ATOM 947 CE2 TYR B 22 0.345 -8.894 5.743 1.00 0.00 C ATOM 948 CZ TYR B 22 -0.638 -8.905 6.683 1.00 0.00 C ATOM 949 OH TYR B 22 -1.243 -10.088 6.975 1.00 0.00 O ATOM 0 H TYR B 22 1.528 -3.682 3.906 1.00 0.00 H new ATOM 0 HA TYR B 22 -0.733 -4.305 5.607 1.00 0.00 H new ATOM 0 HB2 TYR B 22 1.860 -5.277 4.841 1.00 0.00 H new ATOM 0 HB3 TYR B 22 1.987 -4.918 6.552 1.00 0.00 H new ATOM 0 HD1 TYR B 22 -0.705 -5.634 7.544 1.00 0.00 H new ATOM 0 HD2 TYR B 22 1.770 -7.607 4.692 1.00 0.00 H new ATOM 0 HE1 TYR B 22 -1.828 -7.838 8.083 1.00 0.00 H new ATOM 0 HE2 TYR B 22 0.638 -9.804 5.240 1.00 0.00 H new ATOM 0 HH TYR B 22 -0.852 -10.799 6.426 1.00 0.00 H new ATOM 959 N HIS B 23 1.410 -2.043 6.481 1.00 0.00 N ATOM 960 CA HIS B 23 1.712 -1.028 7.477 1.00 0.00 C ATOM 961 C HIS B 23 0.570 -0.012 7.536 1.00 0.00 C ATOM 962 O HIS B 23 0.185 0.433 8.615 1.00 0.00 O ATOM 963 CB HIS B 23 3.069 -0.379 7.197 1.00 0.00 C ATOM 964 CG HIS B 23 3.686 0.295 8.399 1.00 0.00 C ATOM 965 ND1 HIS B 23 3.002 1.215 9.175 1.00 0.00 N ATOM 966 CD2 HIS B 23 4.928 0.174 8.950 1.00 0.00 C ATOM 967 CE1 HIS B 23 3.807 1.624 10.145 1.00 0.00 C ATOM 968 NE2 HIS B 23 5.000 0.977 10.004 1.00 0.00 N ATOM 0 H HIS B 23 1.932 -1.954 5.609 1.00 0.00 H new ATOM 0 HA HIS B 23 1.792 -1.491 8.461 1.00 0.00 H new ATOM 0 HB2 HIS B 23 3.756 -1.141 6.828 1.00 0.00 H new ATOM 0 HB3 HIS B 23 2.951 0.356 6.401 1.00 0.00 H new ATOM 0 HD1 HIS B 23 2.042 1.525 9.026 1.00 0.00 H new ATOM 0 HD2 HIS B 23 5.719 -0.467 8.589 1.00 0.00 H new ATOM 0 HE1 HIS B 23 3.562 2.343 10.912 1.00 0.00 H new ATOM 976 N LEU B 24 0.060 0.326 6.360 1.00 0.00 N ATOM 977 CA LEU B 24 -1.030 1.282 6.264 1.00 0.00 C ATOM 978 C LEU B 24 -2.344 0.588 6.627 1.00 0.00 C ATOM 979 O LEU B 24 -3.206 1.183 7.274 1.00 0.00 O ATOM 980 CB LEU B 24 -1.045 1.940 4.882 1.00 0.00 C ATOM 981 CG LEU B 24 -0.265 3.251 4.756 1.00 0.00 C ATOM 982 CD1 LEU B 24 1.194 3.064 5.176 1.00 0.00 C ATOM 983 CD2 LEU B 24 -0.387 3.827 3.344 1.00 0.00 C ATOM 0 H LEU B 24 0.382 -0.045 5.466 1.00 0.00 H new ATOM 0 HA LEU B 24 -0.889 2.094 6.978 1.00 0.00 H new ATOM 0 HB2 LEU B 24 -0.643 1.230 4.159 1.00 0.00 H new ATOM 0 HB3 LEU B 24 -2.081 2.128 4.602 1.00 0.00 H new ATOM 0 HG LEU B 24 -0.705 3.978 5.439 1.00 0.00 H new ATOM 0 HD11 LEU B 24 1.725 4.011 5.077 1.00 0.00 H new ATOM 0 HD12 LEU B 24 1.234 2.732 6.213 1.00 0.00 H new ATOM 0 HD13 LEU B 24 1.663 2.316 4.537 1.00 0.00 H new ATOM 0 HD21 LEU B 24 0.176 4.758 3.281 1.00 0.00 H new ATOM 0 HD22 LEU B 24 0.012 3.112 2.624 1.00 0.00 H new ATOM 0 HD23 LEU B 24 -1.436 4.021 3.120 1.00 0.00 H new ATOM 995 N GLU B 25 -2.456 -0.661 6.198 1.00 0.00 N ATOM 996 CA GLU B 25 -3.650 -1.441 6.472 1.00 0.00 C ATOM 997 C GLU B 25 -3.844 -1.605 7.981 1.00 0.00 C ATOM 998 O GLU B 25 -4.954 -1.456 8.488 1.00 0.00 O ATOM 999 CB GLU B 25 -3.587 -2.802 5.776 1.00 0.00 C ATOM 1000 CG GLU B 25 -4.674 -3.740 6.305 1.00 0.00 C ATOM 1001 CD GLU B 25 -4.576 -5.119 5.649 1.00 0.00 C ATOM 1002 OE1 GLU B 25 -4.555 -5.216 4.412 1.00 0.00 O ATOM 1003 OE2 GLU B 25 -4.520 -6.111 6.471 1.00 0.00 O ATOM 0 H GLU B 25 -1.739 -1.151 5.663 1.00 0.00 H new ATOM 0 HA GLU B 25 -4.510 -0.904 6.072 1.00 0.00 H new ATOM 0 HB2 GLU B 25 -3.707 -2.670 4.701 1.00 0.00 H new ATOM 0 HB3 GLU B 25 -2.606 -3.250 5.935 1.00 0.00 H new ATOM 0 HG2 GLU B 25 -4.578 -3.840 7.386 1.00 0.00 H new ATOM 0 HG3 GLU B 25 -5.657 -3.310 6.111 1.00 0.00 H new ATOM 1011 N ASN B 26 -2.746 -1.912 8.655 1.00 0.00 N ATOM 1012 CA ASN B 26 -2.781 -2.099 10.097 1.00 0.00 C ATOM 1013 C ASN B 26 -2.913 -0.736 10.779 1.00 0.00 C ATOM 1014 O ASN B 26 -3.515 -0.628 11.846 1.00 0.00 O ATOM 1015 CB ASN B 26 -1.492 -2.755 10.598 1.00 0.00 C ATOM 1016 CG ASN B 26 -1.391 -4.204 10.115 1.00 0.00 C ATOM 1017 OD1 ASN B 26 -2.351 -4.800 9.654 1.00 0.00 O ATOM 1018 ND2 ASN B 26 -0.179 -4.735 10.245 1.00 0.00 N ATOM 0 H ASN B 26 -1.827 -2.036 8.231 1.00 0.00 H new ATOM 0 HA ASN B 26 -3.629 -2.741 10.334 1.00 0.00 H new ATOM 0 HB2 ASN B 26 -0.630 -2.189 10.244 1.00 0.00 H new ATOM 0 HB3 ASN B 26 -1.466 -2.728 11.687 1.00 0.00 H new ATOM 0 HD21 ASN B 26 -0.009 -5.697 9.951 1.00 0.00 H new ATOM 0 HD22 ASN B 26 0.581 -4.181 10.639 1.00 0.00 H new ATOM 1025 N GLU B 27 -2.339 0.271 10.137 1.00 0.00 N ATOM 1026 CA GLU B 27 -2.385 1.622 10.669 1.00 0.00 C ATOM 1027 C GLU B 27 -3.834 2.107 10.761 1.00 0.00 C ATOM 1028 O GLU B 27 -4.291 2.508 11.830 1.00 0.00 O ATOM 1029 CB GLU B 27 -1.541 2.575 9.821 1.00 0.00 C ATOM 1030 CG GLU B 27 -1.581 3.996 10.388 1.00 0.00 C ATOM 1031 CD GLU B 27 -0.415 4.236 11.349 1.00 0.00 C ATOM 1032 OE1 GLU B 27 0.363 5.181 11.156 1.00 0.00 O ATOM 1033 OE2 GLU B 27 -0.333 3.397 12.326 1.00 0.00 O ATOM 0 H GLU B 27 -1.839 0.178 9.253 1.00 0.00 H new ATOM 0 HA GLU B 27 -1.961 1.610 11.673 1.00 0.00 H new ATOM 0 HB2 GLU B 27 -0.510 2.222 9.788 1.00 0.00 H new ATOM 0 HB3 GLU B 27 -1.910 2.578 8.795 1.00 0.00 H new ATOM 0 HG2 GLU B 27 -1.539 4.718 9.573 1.00 0.00 H new ATOM 0 HG3 GLU B 27 -2.525 4.157 10.909 1.00 0.00 H new ATOM 1041 N VAL B 28 -4.515 2.054 9.627 1.00 0.00 N ATOM 1042 CA VAL B 28 -5.903 2.481 9.566 1.00 0.00 C ATOM 1043 C VAL B 28 -6.738 1.626 10.521 1.00 0.00 C ATOM 1044 O VAL B 28 -7.461 2.156 11.364 1.00 0.00 O ATOM 1045 CB VAL B 28 -6.403 2.429 8.122 1.00 0.00 C ATOM 1046 CG1 VAL B 28 -5.379 3.038 7.163 1.00 0.00 C ATOM 1047 CG2 VAL B 28 -6.752 0.996 7.714 1.00 0.00 C ATOM 0 H VAL B 28 -4.132 1.722 8.742 1.00 0.00 H new ATOM 0 HA VAL B 28 -5.999 3.517 9.891 1.00 0.00 H new ATOM 0 HB VAL B 28 -7.313 3.026 8.062 1.00 0.00 H new ATOM 0 HG11 VAL B 28 -5.761 2.988 6.143 1.00 0.00 H new ATOM 0 HG12 VAL B 28 -5.202 4.079 7.433 1.00 0.00 H new ATOM 0 HG13 VAL B 28 -4.444 2.482 7.228 1.00 0.00 H new ATOM 0 HG21 VAL B 28 -7.105 0.987 6.683 1.00 0.00 H new ATOM 0 HG22 VAL B 28 -5.866 0.367 7.800 1.00 0.00 H new ATOM 0 HG23 VAL B 28 -7.534 0.612 8.369 1.00 0.00 H new ATOM 1057 N ALA B 29 -6.612 0.318 10.356 1.00 0.00 N ATOM 1058 CA ALA B 29 -7.347 -0.616 11.192 1.00 0.00 C ATOM 1059 C ALA B 29 -7.195 -0.208 12.659 1.00 0.00 C ATOM 1060 O ALA B 29 -8.184 0.067 13.336 1.00 0.00 O ATOM 1061 CB ALA B 29 -6.850 -2.039 10.928 1.00 0.00 C ATOM 0 H ALA B 29 -6.012 -0.118 9.656 1.00 0.00 H new ATOM 0 HA ALA B 29 -8.410 -0.593 10.951 1.00 0.00 H new ATOM 0 HB1 ALA B 29 -7.402 -2.739 11.555 1.00 0.00 H new ATOM 0 HB2 ALA B 29 -7.007 -2.290 9.879 1.00 0.00 H new ATOM 0 HB3 ALA B 29 -5.787 -2.102 11.161 1.00 0.00 H new ATOM 1067 N ARG B 30 -5.948 -0.183 13.107 1.00 0.00 N ATOM 1068 CA ARG B 30 -5.654 0.187 14.481 1.00 0.00 C ATOM 1069 C ARG B 30 -6.176 1.595 14.775 1.00 0.00 C ATOM 1070 O ARG B 30 -6.458 1.928 15.926 1.00 0.00 O ATOM 1071 CB ARG B 30 -4.149 0.141 14.754 1.00 0.00 C ATOM 1072 CG ARG B 30 -3.441 1.341 14.125 1.00 0.00 C ATOM 1073 CD ARG B 30 -2.118 1.633 14.837 1.00 0.00 C ATOM 1074 NE ARG B 30 -1.079 0.679 14.386 1.00 0.00 N ATOM 1075 CZ ARG B 30 0.231 0.788 14.691 1.00 0.00 C ATOM 1076 NH1 ARG B 30 0.676 1.810 15.451 1.00 0.00 N ATOM 1077 NH2 ARG B 30 1.072 -0.122 14.233 1.00 0.00 N ATOM 0 H ARG B 30 -5.130 -0.413 12.543 1.00 0.00 H new ATOM 0 HA ARG B 30 -6.152 -0.532 15.132 1.00 0.00 H new ATOM 0 HB2 ARG B 30 -3.971 0.132 15.829 1.00 0.00 H new ATOM 0 HB3 ARG B 30 -3.731 -0.783 14.354 1.00 0.00 H new ATOM 0 HG2 ARG B 30 -3.254 1.145 13.069 1.00 0.00 H new ATOM 0 HG3 ARG B 30 -4.087 2.217 14.177 1.00 0.00 H new ATOM 0 HD2 ARG B 30 -1.801 2.655 14.628 1.00 0.00 H new ATOM 0 HD3 ARG B 30 -2.251 1.555 15.916 1.00 0.00 H new ATOM 0 HE ARG B 30 -1.372 -0.109 13.809 1.00 0.00 H new ATOM 0 HH11 ARG B 30 0.020 2.509 15.800 1.00 0.00 H new ATOM 0 HH12 ARG B 30 1.668 1.884 15.676 1.00 0.00 H new ATOM 0 HH21 ARG B 30 0.728 -0.891 13.659 1.00 0.00 H new ATOM 0 HH22 ARG B 30 2.066 -0.055 14.454 1.00 0.00 H new ATOM 1090 N LEU B 31 -6.287 2.383 13.717 1.00 0.00 N ATOM 1091 CA LEU B 31 -6.770 3.747 13.847 1.00 0.00 C ATOM 1092 C LEU B 31 -8.265 3.726 14.169 1.00 0.00 C ATOM 1093 O LEU B 31 -8.715 4.401 15.094 1.00 0.00 O ATOM 1094 CB LEU B 31 -6.420 4.561 12.600 1.00 0.00 C ATOM 1095 CG LEU B 31 -6.374 6.080 12.780 1.00 0.00 C ATOM 1096 CD1 LEU B 31 -5.763 6.453 14.132 1.00 0.00 C ATOM 1097 CD2 LEU B 31 -5.641 6.748 11.616 1.00 0.00 C ATOM 0 H LEU B 31 -6.051 2.103 12.765 1.00 0.00 H new ATOM 0 HA LEU B 31 -6.273 4.250 14.677 1.00 0.00 H new ATOM 0 HB2 LEU B 31 -5.448 4.229 12.235 1.00 0.00 H new ATOM 0 HB3 LEU B 31 -7.149 4.329 11.823 1.00 0.00 H new ATOM 0 HG LEU B 31 -7.397 6.456 12.774 1.00 0.00 H new ATOM 0 HD11 LEU B 31 -5.742 7.538 14.235 1.00 0.00 H new ATOM 0 HD12 LEU B 31 -6.364 6.024 14.934 1.00 0.00 H new ATOM 0 HD13 LEU B 31 -4.747 6.063 14.192 1.00 0.00 H new ATOM 0 HD21 LEU B 31 -5.623 7.827 11.769 1.00 0.00 H new ATOM 0 HD22 LEU B 31 -4.619 6.371 11.565 1.00 0.00 H new ATOM 0 HD23 LEU B 31 -6.158 6.522 10.683 1.00 0.00 H new ATOM 1109 N LYS B 32 -8.995 2.943 13.388 1.00 0.00 N ATOM 1110 CA LYS B 32 -10.431 2.826 13.577 1.00 0.00 C ATOM 1111 C LYS B 32 -10.711 2.250 14.967 1.00 0.00 C ATOM 1112 O LYS B 32 -11.753 2.530 15.560 1.00 0.00 O ATOM 1113 CB LYS B 32 -11.057 2.017 12.440 1.00 0.00 C ATOM 1114 CG LYS B 32 -11.087 2.828 11.142 1.00 0.00 C ATOM 1115 CD LYS B 32 -10.379 2.079 10.011 1.00 0.00 C ATOM 1116 CE LYS B 32 -10.409 2.889 8.713 1.00 0.00 C ATOM 1117 NZ LYS B 32 -11.615 2.556 7.924 1.00 0.00 N ATOM 0 H LYS B 32 -8.619 2.383 12.623 1.00 0.00 H new ATOM 0 HA LYS B 32 -10.902 3.808 13.536 1.00 0.00 H new ATOM 0 HB2 LYS B 32 -10.489 1.099 12.287 1.00 0.00 H new ATOM 0 HB3 LYS B 32 -12.071 1.723 12.713 1.00 0.00 H new ATOM 0 HG2 LYS B 32 -12.120 3.029 10.859 1.00 0.00 H new ATOM 0 HG3 LYS B 32 -10.606 3.793 11.301 1.00 0.00 H new ATOM 0 HD2 LYS B 32 -9.346 1.878 10.294 1.00 0.00 H new ATOM 0 HD3 LYS B 32 -10.860 1.114 9.853 1.00 0.00 H new ATOM 0 HE2 LYS B 32 -10.399 3.955 8.942 1.00 0.00 H new ATOM 0 HE3 LYS B 32 -9.514 2.681 8.126 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 -11.621 3.114 7.046 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 -11.608 1.543 7.690 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 -12.466 2.777 8.480 1.00 0.00 H new ATOM 1130 N LYS B 33 -9.765 1.457 15.447 1.00 0.00 N ATOM 1131 CA LYS B 33 -9.897 0.841 16.756 1.00 0.00 C ATOM 1132 C LYS B 33 -9.542 1.865 17.836 1.00 0.00 C ATOM 1133 O LYS B 33 -10.242 1.979 18.841 1.00 0.00 O ATOM 1134 CB LYS B 33 -9.067 -0.443 16.829 1.00 0.00 C ATOM 1135 CG LYS B 33 -9.333 -1.193 18.135 1.00 0.00 C ATOM 1136 CD LYS B 33 -8.867 -2.647 18.038 1.00 0.00 C ATOM 1137 CE LYS B 33 -7.366 -2.761 18.308 1.00 0.00 C ATOM 1138 NZ LYS B 33 -6.755 -3.778 17.424 1.00 0.00 N ATOM 0 H LYS B 33 -8.903 1.227 14.952 1.00 0.00 H new ATOM 0 HA LYS B 33 -10.929 0.537 16.932 1.00 0.00 H new ATOM 0 HB2 LYS B 33 -9.308 -1.085 15.981 1.00 0.00 H new ATOM 0 HB3 LYS B 33 -8.007 -0.200 16.754 1.00 0.00 H new ATOM 0 HG2 LYS B 33 -8.816 -0.696 18.956 1.00 0.00 H new ATOM 0 HG3 LYS B 33 -10.398 -1.163 18.365 1.00 0.00 H new ATOM 0 HD2 LYS B 33 -9.416 -3.257 18.755 1.00 0.00 H new ATOM 0 HD3 LYS B 33 -9.093 -3.039 17.046 1.00 0.00 H new ATOM 0 HE2 LYS B 33 -6.887 -1.795 18.146 1.00 0.00 H new ATOM 0 HE3 LYS B 33 -7.198 -3.029 19.351 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 -5.736 -3.842 17.621 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 -7.200 -4.702 17.598 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 -6.899 -3.506 16.431 1.00 0.00 H new ATOM 1151 N LEU B 34 -8.457 2.584 17.591 1.00 0.00 N ATOM 1152 CA LEU B 34 -8.002 3.595 18.530 1.00 0.00 C ATOM 1153 C LEU B 34 -9.003 4.751 18.553 1.00 0.00 C ATOM 1154 O LEU B 34 -9.488 5.136 19.617 1.00 0.00 O ATOM 1155 CB LEU B 34 -6.572 4.028 18.199 1.00 0.00 C ATOM 1156 CG LEU B 34 -5.493 3.598 19.198 1.00 0.00 C ATOM 1157 CD1 LEU B 34 -4.780 2.332 18.722 1.00 0.00 C ATOM 1158 CD2 LEU B 34 -4.514 4.741 19.471 1.00 0.00 C ATOM 0 H LEU B 34 -7.880 2.487 16.756 1.00 0.00 H new ATOM 0 HA LEU B 34 -7.962 3.186 19.540 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -6.311 3.630 17.218 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -6.552 5.115 18.118 1.00 0.00 H new ATOM 0 HG LEU B 34 -5.978 3.357 20.144 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -4.019 2.048 19.449 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -5.504 1.523 18.620 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -4.308 2.521 17.758 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -3.758 4.410 20.183 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -4.031 5.036 18.540 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -5.055 5.592 19.885 1.00 0.00 H new ATOM 1170 N VAL B 35 -9.285 5.273 17.368 1.00 0.00 N ATOM 1171 CA VAL B 35 -10.220 6.377 17.241 1.00 0.00 C ATOM 1172 C VAL B 35 -11.511 6.037 17.989 1.00 0.00 C ATOM 1173 O VAL B 35 -11.936 6.782 18.870 1.00 0.00 O ATOM 1174 CB VAL B 35 -10.453 6.696 15.762 1.00 0.00 C ATOM 1175 CG1 VAL B 35 -9.130 6.979 15.047 1.00 0.00 C ATOM 1176 CG2 VAL B 35 -11.220 5.567 15.071 1.00 0.00 C ATOM 0 H VAL B 35 -8.882 4.952 16.488 1.00 0.00 H new ATOM 0 HA VAL B 35 -9.810 7.279 17.695 1.00 0.00 H new ATOM 0 HB VAL B 35 -11.063 7.597 15.706 1.00 0.00 H new ATOM 0 HG11 VAL B 35 -9.324 7.203 13.998 1.00 0.00 H new ATOM 0 HG12 VAL B 35 -8.639 7.832 15.515 1.00 0.00 H new ATOM 0 HG13 VAL B 35 -8.484 6.104 15.118 1.00 0.00 H new ATOM 0 HG21 VAL B 35 -11.372 5.819 14.022 1.00 0.00 H new ATOM 0 HG22 VAL B 35 -10.648 4.642 15.143 1.00 0.00 H new ATOM 0 HG23 VAL B 35 -12.187 5.434 15.556 1.00 0.00 H new