USER MOD reduce.3.24.130724 H: found=0, std=0, add=611, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 608 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 NoAdj-H: A 18 HIS HD1 : A 18 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 56 HIS HD1 : A 56 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD Set 1.1: A 46 TYR OH : rot 30:sc= -1 USER MOD Set 1.2: A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 27 GLN : amide:sc= -1.33 K(o=-0.32,f=-7!) USER MOD Set 2.2: A 29 THR OG1 : rot -2:sc= 1.02 USER MOD Single : A 1 GLY N :NH3+ -119:sc= 0.0885 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= -0.453 X(o=-0.45,f=-0.59) USER MOD Single : A 11 LYS NZ :NH3+ -145:sc= -1.08 (180deg=-3.14!) USER MOD Single : A 13 HIS :FLIP no HD1:sc= -2.98! C(o=-4.2!,f=-3!) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= -0.0263 X(o=-0.026,f=-0.31) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ -155:sc= 0.746 (180deg=0.359) USER MOD Single : A 42 ASN : amide:sc= -0.285 K(o=-0.28,f=-1.9) USER MOD Single : A 43 LYS NZ :NH3+ -152:sc= -0.0142 (180deg=-1.01) USER MOD Single : A 44 GLN : amide:sc= -0.43 K(o=-0.43,f=-1.3) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -1.52 K(o=-1.5,f=-6.4!) USER MOD Single : A 52 ASN : amide:sc= -0.405 X(o=-0.41,f=-0.78) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot -43:sc= 0.916 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 SER OG : rot 180:sc= 3.1e-06 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -22.683 -17.428 -23.860 1.00 0.00 N ATOM 2 CA GLY A 1 -21.251 -17.399 -23.630 1.00 0.00 C ATOM 3 C GLY A 1 -20.874 -16.564 -22.421 1.00 0.00 C ATOM 4 O GLY A 1 -21.738 -15.971 -21.775 1.00 0.00 O ATOM 0 H1 GLY A 1 -23.025 -18.408 -23.794 1.00 0.00 H new ATOM 0 H2 GLY A 1 -23.161 -16.845 -23.144 1.00 0.00 H new ATOM 0 H3 GLY A 1 -22.890 -17.052 -24.807 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -20.888 -18.417 -23.492 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -20.752 -17.000 -24.513 1.00 0.00 H new ATOM 8 N SER A 2 -19.581 -16.520 -22.115 1.00 0.00 N ATOM 9 CA SER A 2 -19.093 -15.758 -20.972 1.00 0.00 C ATOM 10 C SER A 2 -17.797 -15.031 -21.318 1.00 0.00 C ATOM 11 O SER A 2 -17.240 -15.214 -22.400 1.00 0.00 O ATOM 12 CB SER A 2 -18.869 -16.681 -19.773 1.00 0.00 C ATOM 13 OG SER A 2 -20.033 -17.436 -19.486 1.00 0.00 O ATOM 0 H SER A 2 -18.853 -17.003 -22.642 1.00 0.00 H new ATOM 0 HA SER A 2 -19.848 -15.016 -20.713 1.00 0.00 H new ATOM 0 HB2 SER A 2 -18.037 -17.354 -19.979 1.00 0.00 H new ATOM 0 HB3 SER A 2 -18.592 -16.089 -18.901 1.00 0.00 H new ATOM 0 HG SER A 2 -19.863 -18.019 -18.717 1.00 0.00 H new ATOM 19 N SER A 3 -17.323 -14.205 -20.390 1.00 0.00 N ATOM 20 CA SER A 3 -16.095 -13.447 -20.598 1.00 0.00 C ATOM 21 C SER A 3 -15.429 -13.115 -19.265 1.00 0.00 C ATOM 22 O SER A 3 -16.031 -13.267 -18.204 1.00 0.00 O ATOM 23 CB SER A 3 -16.389 -12.158 -21.368 1.00 0.00 C ATOM 24 OG SER A 3 -17.394 -11.396 -20.721 1.00 0.00 O ATOM 0 H SER A 3 -17.771 -14.044 -19.488 1.00 0.00 H new ATOM 0 HA SER A 3 -15.412 -14.063 -21.183 1.00 0.00 H new ATOM 0 HB2 SER A 3 -15.478 -11.566 -21.454 1.00 0.00 H new ATOM 0 HB3 SER A 3 -16.708 -12.401 -22.382 1.00 0.00 H new ATOM 0 HG SER A 3 -17.563 -10.577 -21.231 1.00 0.00 H new ATOM 30 N GLY A 4 -14.181 -12.661 -19.331 1.00 0.00 N ATOM 31 CA GLY A 4 -13.454 -12.316 -18.124 1.00 0.00 C ATOM 32 C GLY A 4 -11.974 -12.104 -18.379 1.00 0.00 C ATOM 33 O GLY A 4 -11.450 -12.522 -19.411 1.00 0.00 O ATOM 0 H GLY A 4 -13.661 -12.526 -20.198 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -13.879 -11.409 -17.694 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -13.583 -13.109 -17.387 1.00 0.00 H new ATOM 37 N SER A 5 -11.300 -11.452 -17.438 1.00 0.00 N ATOM 38 CA SER A 5 -9.873 -11.181 -17.568 1.00 0.00 C ATOM 39 C SER A 5 -9.050 -12.230 -16.827 1.00 0.00 C ATOM 40 O SER A 5 -9.564 -12.939 -15.961 1.00 0.00 O ATOM 41 CB SER A 5 -9.546 -9.786 -17.030 1.00 0.00 C ATOM 42 OG SER A 5 -8.247 -9.381 -17.421 1.00 0.00 O ATOM 0 H SER A 5 -11.719 -11.101 -16.577 1.00 0.00 H new ATOM 0 HA SER A 5 -9.616 -11.224 -18.626 1.00 0.00 H new ATOM 0 HB2 SER A 5 -10.280 -9.069 -17.398 1.00 0.00 H new ATOM 0 HB3 SER A 5 -9.618 -9.786 -15.942 1.00 0.00 H new ATOM 0 HG SER A 5 -8.063 -8.486 -17.066 1.00 0.00 H new ATOM 48 N SER A 6 -7.772 -12.323 -17.174 1.00 0.00 N ATOM 49 CA SER A 6 -6.877 -13.289 -16.545 1.00 0.00 C ATOM 50 C SER A 6 -5.798 -12.580 -15.732 1.00 0.00 C ATOM 51 O SER A 6 -5.655 -12.812 -14.533 1.00 0.00 O ATOM 52 CB SER A 6 -6.229 -14.182 -17.605 1.00 0.00 C ATOM 53 OG SER A 6 -5.457 -15.207 -17.004 1.00 0.00 O ATOM 0 H SER A 6 -7.331 -11.742 -17.887 1.00 0.00 H new ATOM 0 HA SER A 6 -7.468 -13.909 -15.870 1.00 0.00 H new ATOM 0 HB2 SER A 6 -7.001 -14.625 -18.234 1.00 0.00 H new ATOM 0 HB3 SER A 6 -5.596 -13.579 -18.256 1.00 0.00 H new ATOM 0 HG SER A 6 -5.055 -15.765 -17.702 1.00 0.00 H new ATOM 59 N GLY A 7 -5.040 -11.712 -16.396 1.00 0.00 N ATOM 60 CA GLY A 7 -3.983 -10.982 -15.720 1.00 0.00 C ATOM 61 C GLY A 7 -2.912 -10.496 -16.677 1.00 0.00 C ATOM 62 O GLY A 7 -2.802 -10.987 -17.800 1.00 0.00 O ATOM 0 H GLY A 7 -5.139 -11.502 -17.389 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -4.413 -10.128 -15.196 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.528 -11.623 -14.965 1.00 0.00 H new ATOM 66 N LYS A 8 -2.120 -9.527 -16.232 1.00 0.00 N ATOM 67 CA LYS A 8 -1.051 -8.972 -17.055 1.00 0.00 C ATOM 68 C LYS A 8 0.242 -8.847 -16.256 1.00 0.00 C ATOM 69 O LYS A 8 0.281 -9.165 -15.068 1.00 0.00 O ATOM 70 CB LYS A 8 -1.459 -7.602 -17.601 1.00 0.00 C ATOM 71 CG LYS A 8 -2.321 -7.677 -18.849 1.00 0.00 C ATOM 72 CD LYS A 8 -1.498 -8.035 -20.075 1.00 0.00 C ATOM 73 CE LYS A 8 -0.826 -6.808 -20.672 1.00 0.00 C ATOM 74 NZ LYS A 8 0.015 -7.154 -21.851 1.00 0.00 N ATOM 0 H LYS A 8 -2.198 -9.109 -15.305 1.00 0.00 H new ATOM 0 HA LYS A 8 -0.878 -9.652 -17.889 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -2.001 -7.059 -16.827 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -0.560 -7.027 -17.824 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -3.105 -8.421 -18.706 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -2.815 -6.719 -19.009 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -0.741 -8.771 -19.804 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -2.140 -8.500 -20.823 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -1.587 -6.085 -20.968 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -0.208 -6.327 -19.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 0.455 -6.291 -22.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 0.757 -7.824 -21.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -0.579 -7.589 -22.585 1.00 0.00 H new ATOM 88 N GLN A 9 1.298 -8.384 -16.917 1.00 0.00 N ATOM 89 CA GLN A 9 2.593 -8.217 -16.267 1.00 0.00 C ATOM 90 C GLN A 9 2.515 -7.175 -15.156 1.00 0.00 C ATOM 91 O GLN A 9 1.844 -6.153 -15.297 1.00 0.00 O ATOM 92 CB GLN A 9 3.653 -7.809 -17.291 1.00 0.00 C ATOM 93 CG GLN A 9 4.365 -8.989 -17.934 1.00 0.00 C ATOM 94 CD GLN A 9 4.918 -9.963 -16.913 1.00 0.00 C ATOM 95 OE1 GLN A 9 5.449 -9.560 -15.878 1.00 0.00 O ATOM 96 NE2 GLN A 9 4.795 -11.254 -17.199 1.00 0.00 N ATOM 0 H GLN A 9 1.283 -8.118 -17.902 1.00 0.00 H new ATOM 0 HA GLN A 9 2.874 -9.173 -15.825 1.00 0.00 H new ATOM 0 HB2 GLN A 9 3.181 -7.211 -18.071 1.00 0.00 H new ATOM 0 HB3 GLN A 9 4.391 -7.172 -16.803 1.00 0.00 H new ATOM 0 HG2 GLN A 9 3.671 -9.513 -18.592 1.00 0.00 H new ATOM 0 HG3 GLN A 9 5.179 -8.621 -18.558 1.00 0.00 H new ATOM 0 HE21 GLN A 9 4.348 -11.543 -18.069 1.00 0.00 H new ATOM 0 HE22 GLN A 9 5.148 -11.956 -16.549 1.00 0.00 H new ATOM 105 N ALA A 10 3.204 -7.442 -14.051 1.00 0.00 N ATOM 106 CA ALA A 10 3.213 -6.528 -12.917 1.00 0.00 C ATOM 107 C ALA A 10 4.303 -6.903 -11.917 1.00 0.00 C ATOM 108 O ALA A 10 5.042 -7.865 -12.122 1.00 0.00 O ATOM 109 CB ALA A 10 1.852 -6.515 -12.238 1.00 0.00 C ATOM 0 H ALA A 10 3.763 -8.285 -13.918 1.00 0.00 H new ATOM 0 HA ALA A 10 3.429 -5.527 -13.291 1.00 0.00 H new ATOM 0 HB1 ALA A 10 1.874 -5.828 -11.392 1.00 0.00 H new ATOM 0 HB2 ALA A 10 1.093 -6.190 -12.950 1.00 0.00 H new ATOM 0 HB3 ALA A 10 1.612 -7.518 -11.884 1.00 0.00 H new ATOM 115 N LYS A 11 4.396 -6.137 -10.836 1.00 0.00 N ATOM 116 CA LYS A 11 5.394 -6.389 -9.803 1.00 0.00 C ATOM 117 C LYS A 11 4.730 -6.623 -8.451 1.00 0.00 C ATOM 118 O LYS A 11 3.897 -5.831 -8.012 1.00 0.00 O ATOM 119 CB LYS A 11 6.367 -5.212 -9.708 1.00 0.00 C ATOM 120 CG LYS A 11 7.238 -5.241 -8.463 1.00 0.00 C ATOM 121 CD LYS A 11 8.188 -4.056 -8.419 1.00 0.00 C ATOM 122 CE LYS A 11 7.508 -2.819 -7.853 1.00 0.00 C ATOM 123 NZ LYS A 11 6.545 -2.223 -8.820 1.00 0.00 N ATOM 0 H LYS A 11 3.792 -5.336 -10.652 1.00 0.00 H new ATOM 0 HA LYS A 11 5.946 -7.288 -10.077 1.00 0.00 H new ATOM 0 HB2 LYS A 11 7.008 -5.209 -10.590 1.00 0.00 H new ATOM 0 HB3 LYS A 11 5.800 -4.281 -9.723 1.00 0.00 H new ATOM 0 HG2 LYS A 11 6.606 -5.235 -7.575 1.00 0.00 H new ATOM 0 HG3 LYS A 11 7.810 -6.168 -8.440 1.00 0.00 H new ATOM 0 HD2 LYS A 11 9.056 -4.307 -7.809 1.00 0.00 H new ATOM 0 HD3 LYS A 11 8.554 -3.844 -9.424 1.00 0.00 H new ATOM 0 HE2 LYS A 11 6.984 -3.081 -6.934 1.00 0.00 H new ATOM 0 HE3 LYS A 11 8.263 -2.078 -7.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 6.553 -1.187 -8.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 6.820 -2.483 -9.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 5.589 -2.582 -8.623 1.00 0.00 H new ATOM 137 N ILE A 12 5.105 -7.716 -7.794 1.00 0.00 N ATOM 138 CA ILE A 12 4.548 -8.053 -6.491 1.00 0.00 C ATOM 139 C ILE A 12 5.624 -8.036 -5.411 1.00 0.00 C ATOM 140 O ILE A 12 6.762 -8.442 -5.647 1.00 0.00 O ATOM 141 CB ILE A 12 3.875 -9.439 -6.507 1.00 0.00 C ATOM 142 CG1 ILE A 12 2.972 -9.578 -7.733 1.00 0.00 C ATOM 143 CG2 ILE A 12 3.079 -9.656 -5.228 1.00 0.00 C ATOM 144 CD1 ILE A 12 2.299 -10.928 -7.840 1.00 0.00 C ATOM 0 H ILE A 12 5.793 -8.383 -8.144 1.00 0.00 H new ATOM 0 HA ILE A 12 3.797 -7.296 -6.264 1.00 0.00 H new ATOM 0 HB ILE A 12 4.651 -10.203 -6.563 1.00 0.00 H new ATOM 0 HG12 ILE A 12 2.207 -8.802 -7.700 1.00 0.00 H new ATOM 0 HG13 ILE A 12 3.564 -9.404 -8.631 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.609 -10.639 -5.254 1.00 0.00 H new ATOM 0 HG22 ILE A 12 3.747 -9.596 -4.369 1.00 0.00 H new ATOM 0 HG23 ILE A 12 2.309 -8.889 -5.144 1.00 0.00 H new ATOM 0 HD11 ILE A 12 1.675 -10.954 -8.733 1.00 0.00 H new ATOM 0 HD12 ILE A 12 3.057 -11.708 -7.905 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.679 -11.096 -6.959 1.00 0.00 H new ATOM 156 N HIS A 13 5.256 -7.562 -4.224 1.00 0.00 N ATOM 157 CA HIS A 13 6.191 -7.494 -3.106 1.00 0.00 C ATOM 158 C HIS A 13 5.950 -8.637 -2.125 1.00 0.00 C ATOM 159 O HIS A 13 4.963 -8.639 -1.388 1.00 0.00 O ATOM 160 CB HIS A 13 6.057 -6.152 -2.384 1.00 0.00 C ATOM 161 CG HIS A 13 6.030 -4.974 -3.310 1.00 0.00 C ATOM 162 ND1 HIS A 13 5.357 -4.773 -4.467 1.00 0.00 N flip ATOM 163 CD2 HIS A 13 6.759 -3.825 -3.088 1.00 0.00 C flip ATOM 164 CE1 HIS A 13 5.688 -3.519 -4.917 1.00 0.00 C flip ATOM 165 NE2 HIS A 13 6.534 -2.968 -4.067 1.00 0.00 N flip ATOM 0 H HIS A 13 4.319 -7.220 -4.012 1.00 0.00 H new ATOM 0 HA HIS A 13 7.202 -7.587 -3.504 1.00 0.00 H new ATOM 0 HB2 HIS A 13 5.143 -6.158 -1.790 1.00 0.00 H new ATOM 0 HB3 HIS A 13 6.889 -6.038 -1.689 1.00 0.00 H new ATOM 0 HD2 HIS A 13 7.412 -3.653 -2.245 1.00 0.00 H new ATOM 0 HE1 HIS A 13 5.316 -3.058 -5.820 1.00 0.00 H new ATOM 0 HE2 HIS A 13 6.944 -2.038 -4.152 1.00 0.00 H new ATOM 173 N TYR A 14 6.855 -9.609 -2.123 1.00 0.00 N ATOM 174 CA TYR A 14 6.740 -10.760 -1.236 1.00 0.00 C ATOM 175 C TYR A 14 7.231 -10.418 0.167 1.00 0.00 C ATOM 176 O TYR A 14 8.078 -11.114 0.727 1.00 0.00 O ATOM 177 CB TYR A 14 7.536 -11.942 -1.793 1.00 0.00 C ATOM 178 CG TYR A 14 7.136 -12.332 -3.198 1.00 0.00 C ATOM 179 CD1 TYR A 14 5.813 -12.624 -3.510 1.00 0.00 C ATOM 180 CD2 TYR A 14 8.080 -12.409 -4.214 1.00 0.00 C ATOM 181 CE1 TYR A 14 5.444 -12.983 -4.792 1.00 0.00 C ATOM 182 CE2 TYR A 14 7.719 -12.766 -5.500 1.00 0.00 C ATOM 183 CZ TYR A 14 6.400 -13.051 -5.783 1.00 0.00 C ATOM 184 OH TYR A 14 6.036 -13.407 -7.062 1.00 0.00 O ATOM 0 H TYR A 14 7.677 -9.623 -2.726 1.00 0.00 H new ATOM 0 HA TYR A 14 5.687 -11.036 -1.176 1.00 0.00 H new ATOM 0 HB2 TYR A 14 8.597 -11.692 -1.782 1.00 0.00 H new ATOM 0 HB3 TYR A 14 7.404 -12.801 -1.135 1.00 0.00 H new ATOM 0 HD1 TYR A 14 5.061 -12.569 -2.737 1.00 0.00 H new ATOM 0 HD2 TYR A 14 9.114 -12.186 -3.996 1.00 0.00 H new ATOM 0 HE1 TYR A 14 4.412 -13.209 -5.017 1.00 0.00 H new ATOM 0 HE2 TYR A 14 8.466 -12.821 -6.278 1.00 0.00 H new ATOM 0 HH TYR A 14 6.828 -13.406 -7.640 1.00 0.00 H new ATOM 194 N ILE A 15 6.693 -9.342 0.729 1.00 0.00 N ATOM 195 CA ILE A 15 7.074 -8.907 2.068 1.00 0.00 C ATOM 196 C ILE A 15 6.212 -9.580 3.130 1.00 0.00 C ATOM 197 O ILE A 15 5.002 -9.735 2.957 1.00 0.00 O ATOM 198 CB ILE A 15 6.955 -7.378 2.218 1.00 0.00 C ATOM 199 CG1 ILE A 15 8.240 -6.696 1.743 1.00 0.00 C ATOM 200 CG2 ILE A 15 6.658 -7.011 3.664 1.00 0.00 C ATOM 201 CD1 ILE A 15 8.197 -6.268 0.293 1.00 0.00 C ATOM 0 H ILE A 15 5.991 -8.754 0.278 1.00 0.00 H new ATOM 0 HA ILE A 15 8.115 -9.198 2.211 1.00 0.00 H new ATOM 0 HB ILE A 15 6.130 -7.029 1.597 1.00 0.00 H new ATOM 0 HG12 ILE A 15 8.429 -5.822 2.366 1.00 0.00 H new ATOM 0 HG13 ILE A 15 9.078 -7.378 1.887 1.00 0.00 H new ATOM 0 HG21 ILE A 15 6.577 -5.928 3.755 1.00 0.00 H new ATOM 0 HG22 ILE A 15 5.720 -7.473 3.971 1.00 0.00 H new ATOM 0 HG23 ILE A 15 7.465 -7.369 4.303 1.00 0.00 H new ATOM 0 HD11 ILE A 15 9.141 -5.792 0.026 1.00 0.00 H new ATOM 0 HD12 ILE A 15 8.039 -7.141 -0.340 1.00 0.00 H new ATOM 0 HD13 ILE A 15 7.380 -5.561 0.146 1.00 0.00 H new ATOM 213 N LYS A 16 6.841 -9.976 4.231 1.00 0.00 N ATOM 214 CA LYS A 16 6.132 -10.630 5.325 1.00 0.00 C ATOM 215 C LYS A 16 5.173 -11.690 4.794 1.00 0.00 C ATOM 216 O LYS A 16 4.172 -12.011 5.436 1.00 0.00 O ATOM 217 CB LYS A 16 5.362 -9.597 6.150 1.00 0.00 C ATOM 218 CG LYS A 16 6.252 -8.543 6.789 1.00 0.00 C ATOM 219 CD LYS A 16 6.878 -9.050 8.077 1.00 0.00 C ATOM 220 CE LYS A 16 7.909 -8.069 8.618 1.00 0.00 C ATOM 221 NZ LYS A 16 8.849 -8.723 9.569 1.00 0.00 N ATOM 0 H LYS A 16 7.841 -9.855 4.390 1.00 0.00 H new ATOM 0 HA LYS A 16 6.869 -11.119 5.963 1.00 0.00 H new ATOM 0 HB2 LYS A 16 4.632 -9.104 5.509 1.00 0.00 H new ATOM 0 HB3 LYS A 16 4.804 -10.112 6.932 1.00 0.00 H new ATOM 0 HG2 LYS A 16 7.037 -8.256 6.090 1.00 0.00 H new ATOM 0 HG3 LYS A 16 5.666 -7.647 6.996 1.00 0.00 H new ATOM 0 HD2 LYS A 16 6.100 -9.210 8.823 1.00 0.00 H new ATOM 0 HD3 LYS A 16 7.351 -10.015 7.898 1.00 0.00 H new ATOM 0 HE2 LYS A 16 8.471 -7.639 7.789 1.00 0.00 H new ATOM 0 HE3 LYS A 16 7.400 -7.246 9.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 9.536 -8.023 9.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 8.315 -9.112 10.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 9.354 -9.492 9.084 1.00 0.00 H new ATOM 235 N ASN A 17 5.484 -12.231 3.622 1.00 0.00 N ATOM 236 CA ASN A 17 4.649 -13.256 3.007 1.00 0.00 C ATOM 237 C ASN A 17 3.372 -12.647 2.435 1.00 0.00 C ATOM 238 O ASN A 17 2.304 -13.258 2.486 1.00 0.00 O ATOM 239 CB ASN A 17 4.298 -14.339 4.028 1.00 0.00 C ATOM 240 CG ASN A 17 4.115 -15.701 3.388 1.00 0.00 C ATOM 241 OD1 ASN A 17 4.942 -16.141 2.590 1.00 0.00 O ATOM 242 ND2 ASN A 17 3.025 -16.376 3.736 1.00 0.00 N ATOM 0 H ASN A 17 6.309 -11.977 3.078 1.00 0.00 H new ATOM 0 HA ASN A 17 5.213 -13.706 2.190 1.00 0.00 H new ATOM 0 HB2 ASN A 17 5.087 -14.396 4.778 1.00 0.00 H new ATOM 0 HB3 ASN A 17 3.382 -14.060 4.549 1.00 0.00 H new ATOM 0 HD21 ASN A 17 2.847 -17.298 3.338 1.00 0.00 H new ATOM 0 HD22 ASN A 17 2.366 -15.972 4.402 1.00 0.00 H new ATOM 249 N HIS A 18 3.490 -11.440 1.892 1.00 0.00 N ATOM 250 CA HIS A 18 2.346 -10.748 1.310 1.00 0.00 C ATOM 251 C HIS A 18 2.520 -10.581 -0.197 1.00 0.00 C ATOM 252 O HIS A 18 3.547 -10.962 -0.757 1.00 0.00 O ATOM 253 CB HIS A 18 2.161 -9.380 1.968 1.00 0.00 C ATOM 254 CG HIS A 18 1.374 -9.430 3.241 1.00 0.00 C ATOM 255 ND1 HIS A 18 0.007 -9.260 3.288 1.00 0.00 N ATOM 256 CD2 HIS A 18 1.770 -9.633 4.519 1.00 0.00 C ATOM 257 CE1 HIS A 18 -0.404 -9.355 4.539 1.00 0.00 C ATOM 258 NE2 HIS A 18 0.647 -9.583 5.307 1.00 0.00 N ATOM 0 H HIS A 18 4.367 -10.921 1.843 1.00 0.00 H new ATOM 0 HA HIS A 18 1.457 -11.353 1.491 1.00 0.00 H new ATOM 0 HB2 HIS A 18 3.141 -8.949 2.173 1.00 0.00 H new ATOM 0 HB3 HIS A 18 1.660 -8.713 1.266 1.00 0.00 H new ATOM 0 HD2 HIS A 18 2.782 -9.803 4.856 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -1.425 -9.262 4.877 1.00 0.00 H new ATOM 0 HE2 HIS A 18 0.627 -9.702 6.320 1.00 0.00 H new ATOM 266 N GLU A 19 1.510 -10.010 -0.845 1.00 0.00 N ATOM 267 CA GLU A 19 1.551 -9.796 -2.287 1.00 0.00 C ATOM 268 C GLU A 19 1.221 -8.347 -2.631 1.00 0.00 C ATOM 269 O GLU A 19 0.645 -8.062 -3.681 1.00 0.00 O ATOM 270 CB GLU A 19 0.573 -10.736 -2.994 1.00 0.00 C ATOM 271 CG GLU A 19 1.187 -12.068 -3.392 1.00 0.00 C ATOM 272 CD GLU A 19 0.504 -12.689 -4.593 1.00 0.00 C ATOM 273 OE1 GLU A 19 -0.031 -11.932 -5.431 1.00 0.00 O ATOM 274 OE2 GLU A 19 0.503 -13.934 -4.698 1.00 0.00 O ATOM 0 H GLU A 19 0.654 -9.687 -0.395 1.00 0.00 H new ATOM 0 HA GLU A 19 2.562 -10.012 -2.632 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -0.279 -10.920 -2.339 1.00 0.00 H new ATOM 0 HB3 GLU A 19 0.188 -10.242 -3.886 1.00 0.00 H new ATOM 0 HG2 GLU A 19 2.244 -11.924 -3.614 1.00 0.00 H new ATOM 0 HG3 GLU A 19 1.129 -12.757 -2.549 1.00 0.00 H new ATOM 281 N PHE A 20 1.588 -7.433 -1.738 1.00 0.00 N ATOM 282 CA PHE A 20 1.330 -6.014 -1.945 1.00 0.00 C ATOM 283 C PHE A 20 1.685 -5.599 -3.369 1.00 0.00 C ATOM 284 O PHE A 20 2.859 -5.545 -3.738 1.00 0.00 O ATOM 285 CB PHE A 20 2.128 -5.177 -0.944 1.00 0.00 C ATOM 286 CG PHE A 20 1.781 -5.465 0.489 1.00 0.00 C ATOM 287 CD1 PHE A 20 0.496 -5.253 0.961 1.00 0.00 C ATOM 288 CD2 PHE A 20 2.741 -5.947 1.365 1.00 0.00 C ATOM 289 CE1 PHE A 20 0.174 -5.516 2.278 1.00 0.00 C ATOM 290 CE2 PHE A 20 2.424 -6.214 2.684 1.00 0.00 C ATOM 291 CZ PHE A 20 1.139 -5.998 3.141 1.00 0.00 C ATOM 0 H PHE A 20 2.065 -7.651 -0.863 1.00 0.00 H new ATOM 0 HA PHE A 20 0.266 -5.837 -1.788 1.00 0.00 H new ATOM 0 HB2 PHE A 20 3.192 -5.360 -1.096 1.00 0.00 H new ATOM 0 HB3 PHE A 20 1.954 -4.120 -1.146 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -0.263 -4.877 0.291 1.00 0.00 H new ATOM 0 HD2 PHE A 20 3.748 -6.116 1.013 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -0.832 -5.345 2.633 1.00 0.00 H new ATOM 0 HE2 PHE A 20 3.181 -6.591 3.356 1.00 0.00 H new ATOM 0 HZ PHE A 20 0.889 -6.205 4.171 1.00 0.00 H new ATOM 301 N ILE A 21 0.664 -5.305 -4.166 1.00 0.00 N ATOM 302 CA ILE A 21 0.868 -4.893 -5.549 1.00 0.00 C ATOM 303 C ILE A 21 0.647 -3.394 -5.717 1.00 0.00 C ATOM 304 O ILE A 21 -0.387 -2.861 -5.313 1.00 0.00 O ATOM 305 CB ILE A 21 -0.073 -5.650 -6.507 1.00 0.00 C ATOM 306 CG1 ILE A 21 0.431 -7.077 -6.731 1.00 0.00 C ATOM 307 CG2 ILE A 21 -0.190 -4.909 -7.830 1.00 0.00 C ATOM 308 CD1 ILE A 21 -0.395 -7.859 -7.728 1.00 0.00 C ATOM 0 H ILE A 21 -0.314 -5.344 -3.878 1.00 0.00 H new ATOM 0 HA ILE A 21 1.901 -5.135 -5.800 1.00 0.00 H new ATOM 0 HB ILE A 21 -1.063 -5.702 -6.054 1.00 0.00 H new ATOM 0 HG12 ILE A 21 1.464 -7.039 -7.077 1.00 0.00 H new ATOM 0 HG13 ILE A 21 0.434 -7.607 -5.778 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -0.858 -5.456 -8.496 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -0.591 -3.911 -7.654 1.00 0.00 H new ATOM 0 HG23 ILE A 21 0.795 -4.828 -8.290 1.00 0.00 H new ATOM 0 HD11 ILE A 21 0.019 -8.861 -7.837 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -1.423 -7.928 -7.374 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -0.377 -7.352 -8.693 1.00 0.00 H new ATOM 320 N ALA A 22 1.623 -2.720 -6.315 1.00 0.00 N ATOM 321 CA ALA A 22 1.533 -1.283 -6.538 1.00 0.00 C ATOM 322 C ALA A 22 0.176 -0.901 -7.119 1.00 0.00 C ATOM 323 O ALA A 22 -0.264 -1.466 -8.121 1.00 0.00 O ATOM 324 CB ALA A 22 2.652 -0.821 -7.461 1.00 0.00 C ATOM 0 H ALA A 22 2.485 -3.146 -6.654 1.00 0.00 H new ATOM 0 HA ALA A 22 1.641 -0.784 -5.575 1.00 0.00 H new ATOM 0 HB1 ALA A 22 2.573 0.255 -7.619 1.00 0.00 H new ATOM 0 HB2 ALA A 22 3.616 -1.051 -7.007 1.00 0.00 H new ATOM 0 HB3 ALA A 22 2.570 -1.335 -8.418 1.00 0.00 H new ATOM 330 N THR A 23 -0.485 0.061 -6.483 1.00 0.00 N ATOM 331 CA THR A 23 -1.794 0.517 -6.935 1.00 0.00 C ATOM 332 C THR A 23 -1.988 2.001 -6.648 1.00 0.00 C ATOM 333 O THR A 23 -1.361 2.557 -5.746 1.00 0.00 O ATOM 334 CB THR A 23 -2.929 -0.277 -6.261 1.00 0.00 C ATOM 335 OG1 THR A 23 -4.177 0.017 -6.898 1.00 0.00 O ATOM 336 CG2 THR A 23 -3.018 0.057 -4.780 1.00 0.00 C ATOM 0 H THR A 23 -0.135 0.540 -5.653 1.00 0.00 H new ATOM 0 HA THR A 23 -1.833 0.350 -8.011 1.00 0.00 H new ATOM 0 HB THR A 23 -2.710 -1.340 -6.364 1.00 0.00 H new ATOM 0 HG1 THR A 23 -4.893 -0.493 -6.465 1.00 0.00 H new ATOM 0 HG21 THR A 23 -3.827 -0.516 -4.326 1.00 0.00 H new ATOM 0 HG22 THR A 23 -2.076 -0.196 -4.293 1.00 0.00 H new ATOM 0 HG23 THR A 23 -3.215 1.122 -4.658 1.00 0.00 H new ATOM 344 N PHE A 24 -2.860 2.640 -7.421 1.00 0.00 N ATOM 345 CA PHE A 24 -3.136 4.061 -7.251 1.00 0.00 C ATOM 346 C PHE A 24 -4.497 4.276 -6.594 1.00 0.00 C ATOM 347 O PHE A 24 -5.535 3.937 -7.164 1.00 0.00 O ATOM 348 CB PHE A 24 -3.092 4.777 -8.602 1.00 0.00 C ATOM 349 CG PHE A 24 -2.845 6.255 -8.490 1.00 0.00 C ATOM 350 CD1 PHE A 24 -1.722 6.736 -7.835 1.00 0.00 C ATOM 351 CD2 PHE A 24 -3.737 7.163 -9.038 1.00 0.00 C ATOM 352 CE1 PHE A 24 -1.493 8.095 -7.731 1.00 0.00 C ATOM 353 CE2 PHE A 24 -3.513 8.522 -8.937 1.00 0.00 C ATOM 354 CZ PHE A 24 -2.390 8.990 -8.281 1.00 0.00 C ATOM 0 H PHE A 24 -3.388 2.195 -8.172 1.00 0.00 H new ATOM 0 HA PHE A 24 -2.367 4.479 -6.601 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -2.309 4.331 -9.215 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -4.036 4.613 -9.122 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -1.018 6.041 -7.401 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -4.617 6.804 -9.550 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -0.613 8.457 -7.220 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -4.215 9.219 -9.370 1.00 0.00 H new ATOM 0 HZ PHE A 24 -2.214 10.052 -8.199 1.00 0.00 H new ATOM 364 N PHE A 25 -4.484 4.840 -5.391 1.00 0.00 N ATOM 365 CA PHE A 25 -5.716 5.098 -4.655 1.00 0.00 C ATOM 366 C PHE A 25 -6.197 6.529 -4.883 1.00 0.00 C ATOM 367 O PHE A 25 -5.743 7.461 -4.222 1.00 0.00 O ATOM 368 CB PHE A 25 -5.503 4.853 -3.160 1.00 0.00 C ATOM 369 CG PHE A 25 -4.680 3.632 -2.864 1.00 0.00 C ATOM 370 CD1 PHE A 25 -3.296 3.686 -2.907 1.00 0.00 C ATOM 371 CD2 PHE A 25 -5.289 2.430 -2.543 1.00 0.00 C ATOM 372 CE1 PHE A 25 -2.536 2.564 -2.636 1.00 0.00 C ATOM 373 CE2 PHE A 25 -4.534 1.306 -2.270 1.00 0.00 C ATOM 374 CZ PHE A 25 -3.155 1.373 -2.317 1.00 0.00 C ATOM 0 H PHE A 25 -3.634 5.127 -4.905 1.00 0.00 H new ATOM 0 HA PHE A 25 -6.480 4.413 -5.024 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -5.016 5.725 -2.723 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -6.474 4.754 -2.674 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -2.806 4.616 -3.155 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -6.367 2.371 -2.506 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -1.458 2.619 -2.674 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -5.022 0.375 -2.020 1.00 0.00 H new ATOM 0 HZ PHE A 25 -2.563 0.495 -2.105 1.00 0.00 H new ATOM 384 N GLY A 26 -7.118 6.692 -5.827 1.00 0.00 N ATOM 385 CA GLY A 26 -7.645 8.011 -6.129 1.00 0.00 C ATOM 386 C GLY A 26 -8.308 8.658 -4.928 1.00 0.00 C ATOM 387 O GLY A 26 -8.609 9.852 -4.947 1.00 0.00 O ATOM 0 H GLY A 26 -7.509 5.935 -6.388 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -6.836 8.650 -6.482 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -8.368 7.933 -6.941 1.00 0.00 H new ATOM 391 N GLN A 27 -8.539 7.869 -3.885 1.00 0.00 N ATOM 392 CA GLN A 27 -9.173 8.373 -2.671 1.00 0.00 C ATOM 393 C GLN A 27 -8.368 7.986 -1.435 1.00 0.00 C ATOM 394 O GLN A 27 -7.641 6.993 -1.424 1.00 0.00 O ATOM 395 CB GLN A 27 -10.599 7.832 -2.555 1.00 0.00 C ATOM 396 CG GLN A 27 -10.681 6.315 -2.601 1.00 0.00 C ATOM 397 CD GLN A 27 -10.570 5.685 -1.226 1.00 0.00 C ATOM 398 OE1 GLN A 27 -9.481 5.584 -0.661 1.00 0.00 O ATOM 399 NE2 GLN A 27 -11.702 5.254 -0.679 1.00 0.00 N ATOM 0 H GLN A 27 -8.297 6.879 -3.855 1.00 0.00 H new ATOM 0 HA GLN A 27 -9.207 9.461 -2.733 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -11.037 8.183 -1.620 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -11.202 8.245 -3.364 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -11.626 6.019 -3.057 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -9.885 5.931 -3.239 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -12.583 5.357 -1.182 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -11.690 4.820 0.244 1.00 0.00 H new ATOM 408 N PRO A 28 -8.498 8.789 -0.370 1.00 0.00 N ATOM 409 CA PRO A 28 -7.790 8.552 0.892 1.00 0.00 C ATOM 410 C PRO A 28 -8.315 7.324 1.629 1.00 0.00 C ATOM 411 O PRO A 28 -9.335 7.389 2.316 1.00 0.00 O ATOM 412 CB PRO A 28 -8.068 9.821 1.701 1.00 0.00 C ATOM 413 CG PRO A 28 -9.348 10.348 1.149 1.00 0.00 C ATOM 414 CD PRO A 28 -9.347 9.991 -0.313 1.00 0.00 C ATOM 0 HA PRO A 28 -6.729 8.357 0.733 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -8.156 9.601 2.765 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -7.261 10.546 1.591 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -10.204 9.905 1.658 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -9.418 11.427 1.287 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -10.354 9.789 -0.678 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -8.942 10.798 -0.924 1.00 0.00 H new ATOM 422 N THR A 29 -7.612 6.205 1.483 1.00 0.00 N ATOM 423 CA THR A 29 -8.007 4.963 2.134 1.00 0.00 C ATOM 424 C THR A 29 -7.515 4.917 3.576 1.00 0.00 C ATOM 425 O THR A 29 -6.694 5.737 3.989 1.00 0.00 O ATOM 426 CB THR A 29 -7.464 3.735 1.379 1.00 0.00 C ATOM 427 OG1 THR A 29 -7.732 3.864 -0.022 1.00 0.00 O ATOM 428 CG2 THR A 29 -8.094 2.454 1.906 1.00 0.00 C ATOM 0 H THR A 29 -6.765 6.134 0.919 1.00 0.00 H new ATOM 0 HA THR A 29 -9.097 4.934 2.124 1.00 0.00 H new ATOM 0 HB THR A 29 -6.387 3.684 1.539 1.00 0.00 H new ATOM 0 HG1 THR A 29 -8.227 4.694 -0.185 1.00 0.00 H new ATOM 0 HG21 THR A 29 -7.695 1.600 1.358 1.00 0.00 H new ATOM 0 HG22 THR A 29 -7.864 2.344 2.966 1.00 0.00 H new ATOM 0 HG23 THR A 29 -9.175 2.498 1.772 1.00 0.00 H new ATOM 436 N PHE A 30 -8.020 3.953 4.339 1.00 0.00 N ATOM 437 CA PHE A 30 -7.632 3.801 5.736 1.00 0.00 C ATOM 438 C PHE A 30 -6.531 2.754 5.883 1.00 0.00 C ATOM 439 O PHE A 30 -6.803 1.555 5.948 1.00 0.00 O ATOM 440 CB PHE A 30 -8.843 3.406 6.584 1.00 0.00 C ATOM 441 CG PHE A 30 -8.610 3.544 8.061 1.00 0.00 C ATOM 442 CD1 PHE A 30 -8.426 4.793 8.633 1.00 0.00 C ATOM 443 CD2 PHE A 30 -8.575 2.426 8.878 1.00 0.00 C ATOM 444 CE1 PHE A 30 -8.211 4.922 9.993 1.00 0.00 C ATOM 445 CE2 PHE A 30 -8.362 2.549 10.238 1.00 0.00 C ATOM 446 CZ PHE A 30 -8.181 3.799 10.796 1.00 0.00 C ATOM 0 H PHE A 30 -8.699 3.265 4.013 1.00 0.00 H new ATOM 0 HA PHE A 30 -7.248 4.759 6.087 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -9.694 4.025 6.299 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -9.111 2.373 6.361 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -8.451 5.675 8.010 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -8.716 1.446 8.447 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -8.067 5.900 10.427 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -8.337 1.669 10.863 1.00 0.00 H new ATOM 0 HZ PHE A 30 -8.016 3.898 11.859 1.00 0.00 H new ATOM 456 N CYS A 31 -5.287 3.217 5.935 1.00 0.00 N ATOM 457 CA CYS A 31 -4.143 2.323 6.073 1.00 0.00 C ATOM 458 C CYS A 31 -4.349 1.352 7.231 1.00 0.00 C ATOM 459 O CYS A 31 -5.197 1.571 8.096 1.00 0.00 O ATOM 460 CB CYS A 31 -2.862 3.130 6.291 1.00 0.00 C ATOM 461 SG CYS A 31 -1.358 2.113 6.437 1.00 0.00 S ATOM 0 H CYS A 31 -5.045 4.207 5.884 1.00 0.00 H new ATOM 0 HA CYS A 31 -4.049 1.748 5.152 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -2.738 3.826 5.461 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -2.972 3.729 7.195 1.00 0.00 H new ATOM 466 N SER A 32 -3.566 0.278 7.243 1.00 0.00 N ATOM 467 CA SER A 32 -3.664 -0.730 8.293 1.00 0.00 C ATOM 468 C SER A 32 -2.552 -0.552 9.321 1.00 0.00 C ATOM 469 O SER A 32 -2.746 -0.796 10.512 1.00 0.00 O ATOM 470 CB SER A 32 -3.597 -2.134 7.690 1.00 0.00 C ATOM 471 OG SER A 32 -3.621 -3.125 8.701 1.00 0.00 O ATOM 0 H SER A 32 -2.856 0.083 6.537 1.00 0.00 H new ATOM 0 HA SER A 32 -4.623 -0.604 8.795 1.00 0.00 H new ATOM 0 HB2 SER A 32 -4.437 -2.282 7.011 1.00 0.00 H new ATOM 0 HB3 SER A 32 -2.687 -2.236 7.098 1.00 0.00 H new ATOM 0 HG SER A 32 -3.579 -4.013 8.289 1.00 0.00 H new ATOM 477 N VAL A 33 -1.384 -0.123 8.853 1.00 0.00 N ATOM 478 CA VAL A 33 -0.239 0.088 9.731 1.00 0.00 C ATOM 479 C VAL A 33 -0.406 1.361 10.553 1.00 0.00 C ATOM 480 O VAL A 33 -0.635 1.308 11.762 1.00 0.00 O ATOM 481 CB VAL A 33 1.074 0.176 8.930 1.00 0.00 C ATOM 482 CG1 VAL A 33 2.217 0.627 9.826 1.00 0.00 C ATOM 483 CG2 VAL A 33 1.391 -1.162 8.280 1.00 0.00 C ATOM 0 H VAL A 33 -1.206 0.085 7.871 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.190 -0.771 10.401 1.00 0.00 H new ATOM 0 HB VAL A 33 0.949 0.917 8.141 1.00 0.00 H new ATOM 0 HG11 VAL A 33 3.136 0.683 9.243 1.00 0.00 H new ATOM 0 HG12 VAL A 33 1.989 1.609 10.240 1.00 0.00 H new ATOM 0 HG13 VAL A 33 2.346 -0.088 10.639 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.322 -1.082 7.718 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.497 -1.925 9.051 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.582 -1.439 7.604 1.00 0.00 H new ATOM 493 N CYS A 34 -0.290 2.507 9.890 1.00 0.00 N ATOM 494 CA CYS A 34 -0.428 3.795 10.559 1.00 0.00 C ATOM 495 C CYS A 34 -1.884 4.246 10.576 1.00 0.00 C ATOM 496 O CYS A 34 -2.305 4.995 11.459 1.00 0.00 O ATOM 497 CB CYS A 34 0.435 4.850 9.862 1.00 0.00 C ATOM 498 SG CYS A 34 -0.182 5.351 8.223 1.00 0.00 S ATOM 0 H CYS A 34 -0.101 2.570 8.890 1.00 0.00 H new ATOM 0 HA CYS A 34 -0.090 3.679 11.589 1.00 0.00 H new ATOM 0 HB2 CYS A 34 0.498 5.732 10.500 1.00 0.00 H new ATOM 0 HB3 CYS A 34 1.448 4.462 9.754 1.00 0.00 H new ATOM 503 N LYS A 35 -2.653 3.785 9.594 1.00 0.00 N ATOM 504 CA LYS A 35 -4.064 4.138 9.496 1.00 0.00 C ATOM 505 C LYS A 35 -4.235 5.634 9.248 1.00 0.00 C ATOM 506 O LYS A 35 -4.959 6.314 9.975 1.00 0.00 O ATOM 507 CB LYS A 35 -4.802 3.735 10.775 1.00 0.00 C ATOM 508 CG LYS A 35 -4.730 2.248 11.075 1.00 0.00 C ATOM 509 CD LYS A 35 -5.139 1.948 12.508 1.00 0.00 C ATOM 510 CE LYS A 35 -5.768 0.569 12.630 1.00 0.00 C ATOM 511 NZ LYS A 35 -4.813 -0.512 12.256 1.00 0.00 N ATOM 0 H LYS A 35 -2.322 3.166 8.855 1.00 0.00 H new ATOM 0 HA LYS A 35 -4.490 3.596 8.652 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -4.383 4.288 11.616 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -5.848 4.030 10.689 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -5.380 1.705 10.389 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -3.715 1.890 10.903 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -4.266 2.010 13.157 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -5.846 2.703 12.852 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -6.108 0.415 13.654 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -6.648 0.513 11.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -5.343 -1.350 11.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -4.199 -0.181 11.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -4.230 -0.760 13.080 1.00 0.00 H new ATOM 525 N ASP A 36 -3.565 6.138 8.218 1.00 0.00 N ATOM 526 CA ASP A 36 -3.646 7.552 7.872 1.00 0.00 C ATOM 527 C ASP A 36 -4.617 7.775 6.716 1.00 0.00 C ATOM 528 O ASP A 36 -5.280 6.843 6.260 1.00 0.00 O ATOM 529 CB ASP A 36 -2.261 8.088 7.503 1.00 0.00 C ATOM 530 CG ASP A 36 -2.126 9.574 7.769 1.00 0.00 C ATOM 531 OD1 ASP A 36 -2.300 9.986 8.934 1.00 0.00 O ATOM 532 OD2 ASP A 36 -1.849 10.325 6.810 1.00 0.00 O ATOM 0 H ASP A 36 -2.960 5.588 7.608 1.00 0.00 H new ATOM 0 HA ASP A 36 -4.017 8.093 8.742 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -1.503 7.550 8.072 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -2.068 7.892 6.448 1.00 0.00 H new ATOM 537 N PHE A 37 -4.695 9.016 6.247 1.00 0.00 N ATOM 538 CA PHE A 37 -5.586 9.362 5.147 1.00 0.00 C ATOM 539 C PHE A 37 -5.122 8.712 3.847 1.00 0.00 C ATOM 540 O PHE A 37 -5.935 8.339 3.001 1.00 0.00 O ATOM 541 CB PHE A 37 -5.653 10.881 4.976 1.00 0.00 C ATOM 542 CG PHE A 37 -5.890 11.620 6.261 1.00 0.00 C ATOM 543 CD1 PHE A 37 -4.831 11.947 7.093 1.00 0.00 C ATOM 544 CD2 PHE A 37 -7.171 11.989 6.638 1.00 0.00 C ATOM 545 CE1 PHE A 37 -5.046 12.626 8.277 1.00 0.00 C ATOM 546 CE2 PHE A 37 -7.393 12.668 7.822 1.00 0.00 C ATOM 547 CZ PHE A 37 -6.328 12.987 8.642 1.00 0.00 C ATOM 0 H PHE A 37 -4.152 9.798 6.612 1.00 0.00 H new ATOM 0 HA PHE A 37 -6.581 8.986 5.386 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -4.720 11.230 4.533 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -6.451 11.125 4.274 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -3.826 11.668 6.813 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -8.007 11.743 5.999 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -4.212 12.874 8.917 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -8.397 12.948 8.105 1.00 0.00 H new ATOM 0 HZ PHE A 37 -6.498 13.518 9.567 1.00 0.00 H new ATOM 557 N VAL A 38 -3.808 8.581 3.694 1.00 0.00 N ATOM 558 CA VAL A 38 -3.234 7.975 2.497 1.00 0.00 C ATOM 559 C VAL A 38 -3.519 8.823 1.263 1.00 0.00 C ATOM 560 O VAL A 38 -3.965 8.311 0.236 1.00 0.00 O ATOM 561 CB VAL A 38 -3.783 6.554 2.269 1.00 0.00 C ATOM 562 CG1 VAL A 38 -2.947 5.819 1.233 1.00 0.00 C ATOM 563 CG2 VAL A 38 -3.824 5.783 3.579 1.00 0.00 C ATOM 0 H VAL A 38 -3.121 8.886 4.383 1.00 0.00 H new ATOM 0 HA VAL A 38 -2.157 7.919 2.655 1.00 0.00 H new ATOM 0 HB VAL A 38 -4.801 6.633 1.889 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -3.350 4.817 1.085 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -2.975 6.364 0.290 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.916 5.748 1.581 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -4.214 4.781 3.400 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -2.817 5.712 3.991 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.470 6.303 4.287 1.00 0.00 H new ATOM 573 N TRP A 39 -3.257 10.121 1.369 1.00 0.00 N ATOM 574 CA TRP A 39 -3.485 11.039 0.260 1.00 0.00 C ATOM 575 C TRP A 39 -2.815 12.384 0.521 1.00 0.00 C ATOM 576 O TRP A 39 -2.604 12.771 1.670 1.00 0.00 O ATOM 577 CB TRP A 39 -4.985 11.240 0.036 1.00 0.00 C ATOM 578 CG TRP A 39 -5.312 12.502 -0.702 1.00 0.00 C ATOM 579 CD1 TRP A 39 -5.845 13.644 -0.175 1.00 0.00 C ATOM 580 CD2 TRP A 39 -5.129 12.750 -2.100 1.00 0.00 C ATOM 581 NE1 TRP A 39 -6.005 14.587 -1.162 1.00 0.00 N ATOM 582 CE2 TRP A 39 -5.573 14.063 -2.352 1.00 0.00 C ATOM 583 CE3 TRP A 39 -4.634 11.991 -3.163 1.00 0.00 C ATOM 584 CZ2 TRP A 39 -5.535 14.631 -3.623 1.00 0.00 C ATOM 585 CZ3 TRP A 39 -4.596 12.556 -4.424 1.00 0.00 C ATOM 586 CH2 TRP A 39 -5.044 13.865 -4.645 1.00 0.00 C ATOM 0 H TRP A 39 -2.887 10.561 2.212 1.00 0.00 H new ATOM 0 HA TRP A 39 -3.046 10.601 -0.637 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -5.379 10.390 -0.521 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -5.491 11.251 1.001 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -6.103 13.785 0.864 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -6.384 15.525 -1.030 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -4.287 10.981 -3.003 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -5.881 15.640 -3.796 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -4.214 11.979 -5.253 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -5.001 14.278 -5.642 1.00 0.00 H new ATOM 597 N GLY A 40 -2.481 13.092 -0.554 1.00 0.00 N ATOM 598 CA GLY A 40 -1.837 14.386 -0.419 1.00 0.00 C ATOM 599 C GLY A 40 -0.338 14.313 -0.629 1.00 0.00 C ATOM 600 O GLY A 40 0.434 14.882 0.144 1.00 0.00 O ATOM 0 H GLY A 40 -2.645 12.793 -1.515 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -2.268 15.080 -1.141 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -2.042 14.789 0.573 1.00 0.00 H new ATOM 604 N LEU A 41 0.077 13.608 -1.675 1.00 0.00 N ATOM 605 CA LEU A 41 1.496 13.460 -1.985 1.00 0.00 C ATOM 606 C LEU A 41 1.691 12.721 -3.305 1.00 0.00 C ATOM 607 O LEU A 41 1.175 11.620 -3.493 1.00 0.00 O ATOM 608 CB LEU A 41 2.208 12.711 -0.858 1.00 0.00 C ATOM 609 CG LEU A 41 3.679 13.067 -0.641 1.00 0.00 C ATOM 610 CD1 LEU A 41 4.498 12.727 -1.877 1.00 0.00 C ATOM 611 CD2 LEU A 41 3.826 14.540 -0.290 1.00 0.00 C ATOM 0 H LEU A 41 -0.548 13.129 -2.323 1.00 0.00 H new ATOM 0 HA LEU A 41 1.928 14.456 -2.081 1.00 0.00 H new ATOM 0 HB2 LEU A 41 1.669 12.896 0.071 1.00 0.00 H new ATOM 0 HB3 LEU A 41 2.139 11.642 -1.059 1.00 0.00 H new ATOM 0 HG LEU A 41 4.056 12.477 0.194 1.00 0.00 H new ATOM 0 HD11 LEU A 41 5.542 12.987 -1.704 1.00 0.00 H new ATOM 0 HD12 LEU A 41 4.419 11.660 -2.083 1.00 0.00 H new ATOM 0 HD13 LEU A 41 4.120 13.290 -2.730 1.00 0.00 H new ATOM 0 HD21 LEU A 41 4.880 14.775 -0.139 1.00 0.00 H new ATOM 0 HD22 LEU A 41 3.431 15.149 -1.103 1.00 0.00 H new ATOM 0 HD23 LEU A 41 3.272 14.753 0.624 1.00 0.00 H new ATOM 623 N ASN A 42 2.442 13.333 -4.215 1.00 0.00 N ATOM 624 CA ASN A 42 2.707 12.733 -5.517 1.00 0.00 C ATOM 625 C ASN A 42 3.386 11.375 -5.361 1.00 0.00 C ATOM 626 O ASN A 42 4.607 11.264 -5.468 1.00 0.00 O ATOM 627 CB ASN A 42 3.584 13.660 -6.361 1.00 0.00 C ATOM 628 CG ASN A 42 3.027 15.068 -6.439 1.00 0.00 C ATOM 629 OD1 ASN A 42 1.898 15.326 -6.023 1.00 0.00 O ATOM 630 ND2 ASN A 42 3.820 15.989 -6.975 1.00 0.00 N ATOM 0 H ASN A 42 2.878 14.244 -4.074 1.00 0.00 H new ATOM 0 HA ASN A 42 1.753 12.587 -6.023 1.00 0.00 H new ATOM 0 HB2 ASN A 42 4.588 13.692 -5.937 1.00 0.00 H new ATOM 0 HB3 ASN A 42 3.676 13.252 -7.368 1.00 0.00 H new ATOM 0 HD21 ASN A 42 3.500 16.954 -7.054 1.00 0.00 H new ATOM 0 HD22 ASN A 42 4.749 15.731 -7.307 1.00 0.00 H new ATOM 637 N LYS A 43 2.586 10.345 -5.109 1.00 0.00 N ATOM 638 CA LYS A 43 3.107 8.994 -4.940 1.00 0.00 C ATOM 639 C LYS A 43 1.971 7.985 -4.804 1.00 0.00 C ATOM 640 O LYS A 43 0.847 8.346 -4.459 1.00 0.00 O ATOM 641 CB LYS A 43 4.014 8.925 -3.709 1.00 0.00 C ATOM 642 CG LYS A 43 4.881 7.680 -3.662 1.00 0.00 C ATOM 643 CD LYS A 43 5.994 7.813 -2.635 1.00 0.00 C ATOM 644 CE LYS A 43 5.553 7.312 -1.269 1.00 0.00 C ATOM 645 NZ LYS A 43 4.703 8.309 -0.560 1.00 0.00 N ATOM 0 H LYS A 43 1.573 10.420 -5.017 1.00 0.00 H new ATOM 0 HA LYS A 43 3.688 8.743 -5.827 1.00 0.00 H new ATOM 0 HB2 LYS A 43 4.656 9.806 -3.691 1.00 0.00 H new ATOM 0 HB3 LYS A 43 3.397 8.962 -2.811 1.00 0.00 H new ATOM 0 HG2 LYS A 43 4.264 6.815 -3.421 1.00 0.00 H new ATOM 0 HG3 LYS A 43 5.313 7.499 -4.646 1.00 0.00 H new ATOM 0 HD2 LYS A 43 6.866 7.249 -2.967 1.00 0.00 H new ATOM 0 HD3 LYS A 43 6.299 8.857 -2.560 1.00 0.00 H new ATOM 0 HE2 LYS A 43 4.999 6.380 -1.385 1.00 0.00 H new ATOM 0 HE3 LYS A 43 6.431 7.088 -0.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 4.809 8.187 0.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 4.999 9.270 -0.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 3.707 8.167 -0.825 1.00 0.00 H new ATOM 659 N GLN A 44 2.273 6.720 -5.077 1.00 0.00 N ATOM 660 CA GLN A 44 1.276 5.660 -4.985 1.00 0.00 C ATOM 661 C GLN A 44 1.597 4.710 -3.836 1.00 0.00 C ATOM 662 O GLN A 44 2.758 4.384 -3.592 1.00 0.00 O ATOM 663 CB GLN A 44 1.203 4.883 -6.300 1.00 0.00 C ATOM 664 CG GLN A 44 2.515 4.218 -6.687 1.00 0.00 C ATOM 665 CD GLN A 44 3.425 5.139 -7.477 1.00 0.00 C ATOM 666 OE1 GLN A 44 4.454 5.594 -6.975 1.00 0.00 O ATOM 667 NE2 GLN A 44 3.049 5.419 -8.719 1.00 0.00 N ATOM 0 H GLN A 44 3.200 6.404 -5.364 1.00 0.00 H new ATOM 0 HA GLN A 44 0.308 6.122 -4.791 1.00 0.00 H new ATOM 0 HB2 GLN A 44 0.428 4.120 -6.219 1.00 0.00 H new ATOM 0 HB3 GLN A 44 0.900 5.562 -7.097 1.00 0.00 H new ATOM 0 HG2 GLN A 44 3.031 3.889 -5.785 1.00 0.00 H new ATOM 0 HG3 GLN A 44 2.306 3.326 -7.278 1.00 0.00 H new ATOM 0 HE21 GLN A 44 2.189 5.019 -9.094 1.00 0.00 H new ATOM 0 HE22 GLN A 44 3.621 6.034 -9.299 1.00 0.00 H new ATOM 676 N GLY A 45 0.559 4.268 -3.131 1.00 0.00 N ATOM 677 CA GLY A 45 0.752 3.360 -2.016 1.00 0.00 C ATOM 678 C GLY A 45 0.771 1.908 -2.448 1.00 0.00 C ATOM 679 O GLY A 45 0.976 1.604 -3.623 1.00 0.00 O ATOM 0 H GLY A 45 -0.412 4.523 -3.313 1.00 0.00 H new ATOM 0 HA2 GLY A 45 1.690 3.599 -1.515 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -0.045 3.509 -1.288 1.00 0.00 H new ATOM 683 N TYR A 46 0.559 1.006 -1.495 1.00 0.00 N ATOM 684 CA TYR A 46 0.556 -0.423 -1.783 1.00 0.00 C ATOM 685 C TYR A 46 -0.718 -1.081 -1.261 1.00 0.00 C ATOM 686 O TYR A 46 -1.264 -0.679 -0.234 1.00 0.00 O ATOM 687 CB TYR A 46 1.782 -1.093 -1.158 1.00 0.00 C ATOM 688 CG TYR A 46 3.094 -0.600 -1.723 1.00 0.00 C ATOM 689 CD1 TYR A 46 3.288 -0.498 -3.095 1.00 0.00 C ATOM 690 CD2 TYR A 46 4.141 -0.236 -0.885 1.00 0.00 C ATOM 691 CE1 TYR A 46 4.486 -0.050 -3.616 1.00 0.00 C ATOM 692 CE2 TYR A 46 5.342 0.216 -1.397 1.00 0.00 C ATOM 693 CZ TYR A 46 5.510 0.306 -2.764 1.00 0.00 C ATOM 694 OH TYR A 46 6.705 0.755 -3.279 1.00 0.00 O ATOM 0 H TYR A 46 0.387 1.240 -0.517 1.00 0.00 H new ATOM 0 HA TYR A 46 0.592 -0.550 -2.865 1.00 0.00 H new ATOM 0 HB2 TYR A 46 1.771 -0.920 -0.082 1.00 0.00 H new ATOM 0 HB3 TYR A 46 1.713 -2.170 -1.308 1.00 0.00 H new ATOM 0 HD1 TYR A 46 2.488 -0.774 -3.766 1.00 0.00 H new ATOM 0 HD2 TYR A 46 4.014 -0.308 0.185 1.00 0.00 H new ATOM 0 HE1 TYR A 46 4.620 0.021 -4.685 1.00 0.00 H new ATOM 0 HE2 TYR A 46 6.145 0.497 -0.731 1.00 0.00 H new ATOM 0 HH TYR A 46 6.544 1.206 -4.134 1.00 0.00 H new ATOM 704 N LYS A 47 -1.186 -2.098 -1.976 1.00 0.00 N ATOM 705 CA LYS A 47 -2.394 -2.816 -1.588 1.00 0.00 C ATOM 706 C LYS A 47 -2.294 -4.292 -1.960 1.00 0.00 C ATOM 707 O LYS A 47 -2.060 -4.636 -3.120 1.00 0.00 O ATOM 708 CB LYS A 47 -3.621 -2.192 -2.258 1.00 0.00 C ATOM 709 CG LYS A 47 -4.852 -3.081 -2.221 1.00 0.00 C ATOM 710 CD LYS A 47 -6.098 -2.324 -2.647 1.00 0.00 C ATOM 711 CE LYS A 47 -7.363 -3.015 -2.160 1.00 0.00 C ATOM 712 NZ LYS A 47 -8.591 -2.377 -2.711 1.00 0.00 N ATOM 0 H LYS A 47 -0.746 -2.444 -2.829 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.500 -2.739 -0.506 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -3.851 -1.246 -1.767 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.380 -1.962 -3.296 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.703 -3.938 -2.878 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -4.989 -3.472 -1.213 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -6.061 -1.309 -2.252 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -6.122 -2.242 -3.734 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -7.338 -4.065 -2.450 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -7.396 -2.986 -1.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -9.431 -2.877 -2.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -8.629 -1.381 -2.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -8.572 -2.427 -3.750 1.00 0.00 H new ATOM 726 N CYS A 48 -2.474 -5.160 -0.971 1.00 0.00 N ATOM 727 CA CYS A 48 -2.405 -6.600 -1.196 1.00 0.00 C ATOM 728 C CYS A 48 -3.655 -7.099 -1.912 1.00 0.00 C ATOM 729 O CYS A 48 -4.772 -6.943 -1.417 1.00 0.00 O ATOM 730 CB CYS A 48 -2.238 -7.336 0.135 1.00 0.00 C ATOM 731 SG CYS A 48 -1.667 -9.057 -0.033 1.00 0.00 S ATOM 0 H CYS A 48 -2.669 -4.893 -0.006 1.00 0.00 H new ATOM 0 HA CYS A 48 -1.541 -6.804 -1.828 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -1.528 -6.788 0.754 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -3.192 -7.331 0.663 1.00 0.00 H new ATOM 736 N ARG A 49 -3.460 -7.701 -3.081 1.00 0.00 N ATOM 737 CA ARG A 49 -4.573 -8.222 -3.867 1.00 0.00 C ATOM 738 C ARG A 49 -5.114 -9.511 -3.254 1.00 0.00 C ATOM 739 O ARG A 49 -5.969 -10.175 -3.839 1.00 0.00 O ATOM 740 CB ARG A 49 -4.130 -8.478 -5.308 1.00 0.00 C ATOM 741 CG ARG A 49 -2.772 -9.153 -5.418 1.00 0.00 C ATOM 742 CD ARG A 49 -2.667 -9.988 -6.685 1.00 0.00 C ATOM 743 NE ARG A 49 -3.507 -11.181 -6.626 1.00 0.00 N ATOM 744 CZ ARG A 49 -3.944 -11.825 -7.702 1.00 0.00 C ATOM 745 NH1 ARG A 49 -3.621 -11.394 -8.914 1.00 0.00 N ATOM 746 NH2 ARG A 49 -4.704 -12.904 -7.567 1.00 0.00 N ATOM 0 H ARG A 49 -2.543 -7.840 -3.505 1.00 0.00 H new ATOM 0 HA ARG A 49 -5.368 -7.476 -3.865 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -4.876 -9.099 -5.803 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -4.099 -7.529 -5.843 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -1.987 -8.397 -5.413 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -2.608 -9.788 -4.547 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -2.958 -9.382 -7.543 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -1.629 -10.283 -6.840 1.00 0.00 H new ATOM 0 HE ARG A 49 -3.772 -11.539 -5.709 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -3.035 -10.566 -9.022 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -3.958 -11.891 -9.739 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -4.953 -13.239 -6.636 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -5.039 -13.398 -8.394 1.00 0.00 H new ATOM 760 N GLN A 50 -4.610 -9.856 -2.073 1.00 0.00 N ATOM 761 CA GLN A 50 -5.043 -11.064 -1.382 1.00 0.00 C ATOM 762 C GLN A 50 -5.908 -10.721 -0.174 1.00 0.00 C ATOM 763 O GLN A 50 -7.114 -10.968 -0.171 1.00 0.00 O ATOM 764 CB GLN A 50 -3.831 -11.886 -0.939 1.00 0.00 C ATOM 765 CG GLN A 50 -2.903 -12.266 -2.082 1.00 0.00 C ATOM 766 CD GLN A 50 -2.170 -13.569 -1.830 1.00 0.00 C ATOM 767 OE1 GLN A 50 -1.307 -13.650 -0.956 1.00 0.00 O ATOM 768 NE2 GLN A 50 -2.511 -14.598 -2.597 1.00 0.00 N ATOM 0 H GLN A 50 -3.902 -9.316 -1.576 1.00 0.00 H new ATOM 0 HA GLN A 50 -5.640 -11.655 -2.077 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -3.268 -11.318 -0.199 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -4.179 -12.794 -0.447 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -3.482 -12.351 -3.002 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -2.176 -11.468 -2.235 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -3.232 -14.486 -3.310 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -2.052 -15.500 -2.473 1.00 0.00 H new ATOM 777 N CYS A 51 -5.285 -10.150 0.851 1.00 0.00 N ATOM 778 CA CYS A 51 -5.996 -9.773 2.066 1.00 0.00 C ATOM 779 C CYS A 51 -6.636 -8.395 1.916 1.00 0.00 C ATOM 780 O CYS A 51 -7.439 -7.979 2.750 1.00 0.00 O ATOM 781 CB CYS A 51 -5.042 -9.777 3.263 1.00 0.00 C ATOM 782 SG CYS A 51 -3.511 -8.828 2.996 1.00 0.00 S ATOM 0 H CYS A 51 -4.287 -9.938 0.864 1.00 0.00 H new ATOM 0 HA CYS A 51 -6.786 -10.505 2.237 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -5.562 -9.370 4.130 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -4.781 -10.808 3.502 1.00 0.00 H new ATOM 787 N ASN A 52 -6.274 -7.694 0.847 1.00 0.00 N ATOM 788 CA ASN A 52 -6.813 -6.364 0.587 1.00 0.00 C ATOM 789 C ASN A 52 -6.366 -5.378 1.662 1.00 0.00 C ATOM 790 O ASN A 52 -7.175 -4.617 2.194 1.00 0.00 O ATOM 791 CB ASN A 52 -8.340 -6.412 0.526 1.00 0.00 C ATOM 792 CG ASN A 52 -8.852 -7.672 -0.147 1.00 0.00 C ATOM 793 OD1 ASN A 52 -9.262 -8.623 0.519 1.00 0.00 O ATOM 794 ND2 ASN A 52 -8.832 -7.683 -1.475 1.00 0.00 N ATOM 0 H ASN A 52 -5.610 -8.024 0.147 1.00 0.00 H new ATOM 0 HA ASN A 52 -6.429 -6.025 -0.375 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -8.743 -6.354 1.537 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -8.707 -5.540 -0.015 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -9.165 -8.502 -1.983 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -8.484 -6.872 -1.987 1.00 0.00 H new ATOM 801 N ALA A 53 -5.075 -5.396 1.975 1.00 0.00 N ATOM 802 CA ALA A 53 -4.521 -4.502 2.984 1.00 0.00 C ATOM 803 C ALA A 53 -3.769 -3.343 2.338 1.00 0.00 C ATOM 804 O ALA A 53 -2.637 -3.501 1.887 1.00 0.00 O ATOM 805 CB ALA A 53 -3.603 -5.271 3.924 1.00 0.00 C ATOM 0 H ALA A 53 -4.393 -6.020 1.544 1.00 0.00 H new ATOM 0 HA ALA A 53 -5.348 -4.088 3.560 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -3.196 -4.591 4.672 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -4.168 -6.060 4.420 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -2.786 -5.713 3.354 1.00 0.00 H new ATOM 811 N ALA A 54 -4.410 -2.179 2.296 1.00 0.00 N ATOM 812 CA ALA A 54 -3.801 -0.994 1.707 1.00 0.00 C ATOM 813 C ALA A 54 -2.944 -0.251 2.726 1.00 0.00 C ATOM 814 O ALA A 54 -3.426 0.134 3.792 1.00 0.00 O ATOM 815 CB ALA A 54 -4.874 -0.073 1.145 1.00 0.00 C ATOM 0 H ALA A 54 -5.350 -2.032 2.663 1.00 0.00 H new ATOM 0 HA ALA A 54 -3.152 -1.317 0.893 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -4.405 0.808 0.708 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -5.441 -0.600 0.378 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -5.546 0.234 1.946 1.00 0.00 H new ATOM 821 N ILE A 55 -1.674 -0.053 2.392 1.00 0.00 N ATOM 822 CA ILE A 55 -0.751 0.645 3.281 1.00 0.00 C ATOM 823 C ILE A 55 0.104 1.644 2.509 1.00 0.00 C ATOM 824 O ILE A 55 0.018 1.736 1.283 1.00 0.00 O ATOM 825 CB ILE A 55 0.172 -0.341 4.020 1.00 0.00 C ATOM 826 CG1 ILE A 55 1.229 -0.899 3.065 1.00 0.00 C ATOM 827 CG2 ILE A 55 -0.643 -1.468 4.636 1.00 0.00 C ATOM 828 CD1 ILE A 55 2.319 -1.682 3.762 1.00 0.00 C ATOM 0 H ILE A 55 -1.260 -0.365 1.514 1.00 0.00 H new ATOM 0 HA ILE A 55 -1.358 1.178 4.012 1.00 0.00 H new ATOM 0 HB ILE A 55 0.682 0.193 4.822 1.00 0.00 H new ATOM 0 HG12 ILE A 55 0.742 -1.543 2.333 1.00 0.00 H new ATOM 0 HG13 ILE A 55 1.681 -0.074 2.514 1.00 0.00 H new ATOM 0 HG21 ILE A 55 0.023 -2.157 5.155 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -1.360 -1.053 5.345 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -1.177 -2.002 3.850 1.00 0.00 H new ATOM 0 HD11 ILE A 55 3.033 -2.048 3.024 1.00 0.00 H new ATOM 0 HD12 ILE A 55 2.832 -1.036 4.475 1.00 0.00 H new ATOM 0 HD13 ILE A 55 1.879 -2.527 4.290 1.00 0.00 H new ATOM 840 N HIS A 56 0.933 2.389 3.233 1.00 0.00 N ATOM 841 CA HIS A 56 1.808 3.380 2.616 1.00 0.00 C ATOM 842 C HIS A 56 3.107 2.736 2.138 1.00 0.00 C ATOM 843 O HIS A 56 3.526 1.701 2.657 1.00 0.00 O ATOM 844 CB HIS A 56 2.117 4.504 3.605 1.00 0.00 C ATOM 845 CG HIS A 56 0.905 5.269 4.040 1.00 0.00 C ATOM 846 ND1 HIS A 56 -0.014 4.772 4.940 1.00 0.00 N ATOM 847 CD2 HIS A 56 0.464 6.501 3.695 1.00 0.00 C ATOM 848 CE1 HIS A 56 -0.969 5.666 5.128 1.00 0.00 C ATOM 849 NE2 HIS A 56 -0.702 6.725 4.385 1.00 0.00 N ATOM 0 H HIS A 56 1.017 2.325 4.248 1.00 0.00 H new ATOM 0 HA HIS A 56 1.291 3.798 1.752 1.00 0.00 H new ATOM 0 HB2 HIS A 56 2.604 4.080 4.483 1.00 0.00 H new ATOM 0 HB3 HIS A 56 2.827 5.193 3.149 1.00 0.00 H new ATOM 0 HD2 HIS A 56 0.941 7.182 3.005 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -1.823 5.550 5.779 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -1.269 7.571 4.332 1.00 0.00 H new ATOM 857 N LYS A 57 3.737 3.354 1.146 1.00 0.00 N ATOM 858 CA LYS A 57 4.988 2.843 0.597 1.00 0.00 C ATOM 859 C LYS A 57 6.042 2.697 1.691 1.00 0.00 C ATOM 860 O LYS A 57 6.941 1.861 1.593 1.00 0.00 O ATOM 861 CB LYS A 57 5.504 3.773 -0.503 1.00 0.00 C ATOM 862 CG LYS A 57 6.459 3.098 -1.472 1.00 0.00 C ATOM 863 CD LYS A 57 7.420 4.096 -2.095 1.00 0.00 C ATOM 864 CE LYS A 57 8.180 3.485 -3.262 1.00 0.00 C ATOM 865 NZ LYS A 57 7.462 3.676 -4.552 1.00 0.00 N ATOM 0 H LYS A 57 3.402 4.210 0.705 1.00 0.00 H new ATOM 0 HA LYS A 57 4.794 1.859 0.170 1.00 0.00 H new ATOM 0 HB2 LYS A 57 4.655 4.170 -1.060 1.00 0.00 H new ATOM 0 HB3 LYS A 57 6.008 4.623 -0.042 1.00 0.00 H new ATOM 0 HG2 LYS A 57 7.023 2.326 -0.949 1.00 0.00 H new ATOM 0 HG3 LYS A 57 5.890 2.600 -2.257 1.00 0.00 H new ATOM 0 HD2 LYS A 57 6.866 4.970 -2.438 1.00 0.00 H new ATOM 0 HD3 LYS A 57 8.127 4.442 -1.341 1.00 0.00 H new ATOM 0 HE2 LYS A 57 9.170 3.937 -3.327 1.00 0.00 H new ATOM 0 HE3 LYS A 57 8.327 2.420 -3.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 8.012 3.246 -5.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 6.527 3.223 -4.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 7.344 4.693 -4.737 1.00 0.00 H new ATOM 879 N LYS A 58 5.925 3.514 2.732 1.00 0.00 N ATOM 880 CA LYS A 58 6.866 3.474 3.846 1.00 0.00 C ATOM 881 C LYS A 58 6.374 2.532 4.939 1.00 0.00 C ATOM 882 O LYS A 58 7.173 1.915 5.647 1.00 0.00 O ATOM 883 CB LYS A 58 7.067 4.878 4.419 1.00 0.00 C ATOM 884 CG LYS A 58 5.843 5.425 5.133 1.00 0.00 C ATOM 885 CD LYS A 58 6.014 6.891 5.490 1.00 0.00 C ATOM 886 CE LYS A 58 4.741 7.472 6.087 1.00 0.00 C ATOM 887 NZ LYS A 58 4.918 8.894 6.495 1.00 0.00 N ATOM 0 H LYS A 58 5.188 4.212 2.828 1.00 0.00 H new ATOM 0 HA LYS A 58 7.819 3.101 3.472 1.00 0.00 H new ATOM 0 HB2 LYS A 58 7.906 4.861 5.115 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.338 5.556 3.610 1.00 0.00 H new ATOM 0 HG2 LYS A 58 4.966 5.304 4.497 1.00 0.00 H new ATOM 0 HG3 LYS A 58 5.661 4.848 6.040 1.00 0.00 H new ATOM 0 HD2 LYS A 58 6.833 7.000 6.201 1.00 0.00 H new ATOM 0 HD3 LYS A 58 6.289 7.454 4.598 1.00 0.00 H new ATOM 0 HE2 LYS A 58 3.933 7.401 5.359 1.00 0.00 H new ATOM 0 HE3 LYS A 58 4.443 6.880 6.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 4.029 9.253 6.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 5.672 8.959 7.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 5.178 9.464 5.665 1.00 0.00 H new ATOM 901 N CYS A 59 5.057 2.423 5.072 1.00 0.00 N ATOM 902 CA CYS A 59 4.459 1.554 6.079 1.00 0.00 C ATOM 903 C CYS A 59 4.793 0.091 5.803 1.00 0.00 C ATOM 904 O CYS A 59 4.658 -0.763 6.680 1.00 0.00 O ATOM 905 CB CYS A 59 2.941 1.745 6.110 1.00 0.00 C ATOM 906 SG CYS A 59 2.383 3.091 7.203 1.00 0.00 S ATOM 0 H CYS A 59 4.383 2.926 4.495 1.00 0.00 H new ATOM 0 HA CYS A 59 4.873 1.826 7.050 1.00 0.00 H new ATOM 0 HB2 CYS A 59 2.590 1.944 5.098 1.00 0.00 H new ATOM 0 HB3 CYS A 59 2.475 0.814 6.431 1.00 0.00 H new ATOM 911 N ILE A 60 5.230 -0.190 4.580 1.00 0.00 N ATOM 912 CA ILE A 60 5.584 -1.549 4.189 1.00 0.00 C ATOM 913 C ILE A 60 6.704 -2.098 5.067 1.00 0.00 C ATOM 914 O ILE A 60 6.691 -3.270 5.445 1.00 0.00 O ATOM 915 CB ILE A 60 6.024 -1.614 2.715 1.00 0.00 C ATOM 916 CG1 ILE A 60 5.746 -3.003 2.138 1.00 0.00 C ATOM 917 CG2 ILE A 60 7.500 -1.267 2.586 1.00 0.00 C ATOM 918 CD1 ILE A 60 6.100 -3.131 0.672 1.00 0.00 C ATOM 0 H ILE A 60 5.347 0.505 3.843 1.00 0.00 H new ATOM 0 HA ILE A 60 4.690 -2.159 4.320 1.00 0.00 H new ATOM 0 HB ILE A 60 5.448 -0.883 2.147 1.00 0.00 H new ATOM 0 HG12 ILE A 60 6.310 -3.743 2.706 1.00 0.00 H new ATOM 0 HG13 ILE A 60 4.690 -3.238 2.270 1.00 0.00 H new ATOM 0 HG21 ILE A 60 7.795 -1.318 1.538 1.00 0.00 H new ATOM 0 HG22 ILE A 60 7.671 -0.259 2.963 1.00 0.00 H new ATOM 0 HG23 ILE A 60 8.092 -1.976 3.164 1.00 0.00 H new ATOM 0 HD11 ILE A 60 5.877 -4.142 0.331 1.00 0.00 H new ATOM 0 HD12 ILE A 60 5.517 -2.415 0.093 1.00 0.00 H new ATOM 0 HD13 ILE A 60 7.162 -2.928 0.535 1.00 0.00 H new ATOM 930 N ASP A 61 7.670 -1.245 5.388 1.00 0.00 N ATOM 931 CA ASP A 61 8.796 -1.644 6.224 1.00 0.00 C ATOM 932 C ASP A 61 8.417 -1.602 7.701 1.00 0.00 C ATOM 933 O ASP A 61 9.248 -1.854 8.574 1.00 0.00 O ATOM 934 CB ASP A 61 9.997 -0.733 5.966 1.00 0.00 C ATOM 935 CG ASP A 61 11.313 -1.395 6.327 1.00 0.00 C ATOM 936 OD1 ASP A 61 11.430 -2.623 6.138 1.00 0.00 O ATOM 937 OD2 ASP A 61 12.225 -0.684 6.798 1.00 0.00 O ATOM 0 H ASP A 61 7.696 -0.272 5.082 1.00 0.00 H new ATOM 0 HA ASP A 61 9.065 -2.668 5.966 1.00 0.00 H new ATOM 0 HB2 ASP A 61 10.014 -0.447 4.914 1.00 0.00 H new ATOM 0 HB3 ASP A 61 9.884 0.184 6.544 1.00 0.00 H new ATOM 942 N LYS A 62 7.158 -1.280 7.976 1.00 0.00 N ATOM 943 CA LYS A 62 6.667 -1.205 9.347 1.00 0.00 C ATOM 944 C LYS A 62 5.873 -2.456 9.710 1.00 0.00 C ATOM 945 O LYS A 62 5.974 -2.963 10.828 1.00 0.00 O ATOM 946 CB LYS A 62 5.794 0.038 9.531 1.00 0.00 C ATOM 947 CG LYS A 62 6.545 1.344 9.333 1.00 0.00 C ATOM 948 CD LYS A 62 7.497 1.618 10.485 1.00 0.00 C ATOM 949 CE LYS A 62 7.950 3.070 10.500 1.00 0.00 C ATOM 950 NZ LYS A 62 8.439 3.486 11.843 1.00 0.00 N ATOM 0 H LYS A 62 6.458 -1.066 7.266 1.00 0.00 H new ATOM 0 HA LYS A 62 7.528 -1.138 10.012 1.00 0.00 H new ATOM 0 HB2 LYS A 62 4.963 -0.004 8.826 1.00 0.00 H new ATOM 0 HB3 LYS A 62 5.364 0.024 10.532 1.00 0.00 H new ATOM 0 HG2 LYS A 62 7.105 1.305 8.398 1.00 0.00 H new ATOM 0 HG3 LYS A 62 5.833 2.165 9.245 1.00 0.00 H new ATOM 0 HD2 LYS A 62 7.006 1.379 11.429 1.00 0.00 H new ATOM 0 HD3 LYS A 62 8.366 0.965 10.403 1.00 0.00 H new ATOM 0 HE2 LYS A 62 8.743 3.210 9.766 1.00 0.00 H new ATOM 0 HE3 LYS A 62 7.121 3.712 10.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 8.738 4.482 11.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 7.675 3.377 12.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 9.246 2.891 12.118 1.00 0.00 H new ATOM 964 N ILE A 63 5.087 -2.948 8.760 1.00 0.00 N ATOM 965 CA ILE A 63 4.278 -4.141 8.980 1.00 0.00 C ATOM 966 C ILE A 63 5.000 -5.136 9.883 1.00 0.00 C ATOM 967 O ILE A 63 6.227 -5.241 9.851 1.00 0.00 O ATOM 968 CB ILE A 63 3.925 -4.835 7.650 1.00 0.00 C ATOM 969 CG1 ILE A 63 2.985 -3.954 6.825 1.00 0.00 C ATOM 970 CG2 ILE A 63 3.293 -6.193 7.915 1.00 0.00 C ATOM 971 CD1 ILE A 63 2.764 -4.461 5.417 1.00 0.00 C ATOM 0 H ILE A 63 4.992 -2.540 7.830 1.00 0.00 H new ATOM 0 HA ILE A 63 3.359 -3.814 9.465 1.00 0.00 H new ATOM 0 HB ILE A 63 4.842 -4.988 7.080 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.023 -3.887 7.334 1.00 0.00 H new ATOM 0 HG13 ILE A 63 3.393 -2.944 6.779 1.00 0.00 H new ATOM 0 HG21 ILE A 63 3.049 -6.672 6.967 1.00 0.00 H new ATOM 0 HG22 ILE A 63 3.994 -6.819 8.468 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.383 -6.063 8.501 1.00 0.00 H new ATOM 0 HD11 ILE A 63 2.088 -3.788 4.890 1.00 0.00 H new ATOM 0 HD12 ILE A 63 3.718 -4.502 4.891 1.00 0.00 H new ATOM 0 HD13 ILE A 63 2.327 -5.459 5.454 1.00 0.00 H new ATOM 983 N ILE A 64 4.231 -5.863 10.687 1.00 0.00 N ATOM 984 CA ILE A 64 4.797 -6.851 11.596 1.00 0.00 C ATOM 985 C ILE A 64 4.214 -8.236 11.336 1.00 0.00 C ATOM 986 O ILE A 64 4.947 -9.209 11.176 1.00 0.00 O ATOM 987 CB ILE A 64 4.547 -6.469 13.067 1.00 0.00 C ATOM 988 CG1 ILE A 64 5.088 -5.066 13.352 1.00 0.00 C ATOM 989 CG2 ILE A 64 5.190 -7.489 13.995 1.00 0.00 C ATOM 990 CD1 ILE A 64 4.075 -3.969 13.113 1.00 0.00 C ATOM 0 H ILE A 64 3.215 -5.786 10.727 1.00 0.00 H new ATOM 0 HA ILE A 64 5.871 -6.872 11.411 1.00 0.00 H new ATOM 0 HB ILE A 64 3.472 -6.467 13.249 1.00 0.00 H new ATOM 0 HG12 ILE A 64 5.426 -5.019 14.387 1.00 0.00 H new ATOM 0 HG13 ILE A 64 5.961 -4.887 12.724 1.00 0.00 H new ATOM 0 HG21 ILE A 64 5.005 -7.206 15.031 1.00 0.00 H new ATOM 0 HG22 ILE A 64 4.762 -8.473 13.806 1.00 0.00 H new ATOM 0 HG23 ILE A 64 6.264 -7.520 13.814 1.00 0.00 H new ATOM 0 HD11 ILE A 64 4.527 -3.002 13.335 1.00 0.00 H new ATOM 0 HD12 ILE A 64 3.755 -3.990 12.071 1.00 0.00 H new ATOM 0 HD13 ILE A 64 3.212 -4.123 13.761 1.00 0.00 H new ATOM 1002 N GLY A 65 2.887 -8.315 11.294 1.00 0.00 N ATOM 1003 CA GLY A 65 2.228 -9.585 11.050 1.00 0.00 C ATOM 1004 C GLY A 65 2.529 -10.139 9.672 1.00 0.00 C ATOM 1005 O GLY A 65 3.456 -9.686 9.001 1.00 0.00 O ATOM 0 H GLY A 65 2.257 -7.523 11.424 1.00 0.00 H new ATOM 0 HA2 GLY A 65 2.544 -10.305 11.805 1.00 0.00 H new ATOM 0 HA3 GLY A 65 1.151 -9.459 11.160 1.00 0.00 H new ATOM 1009 N ARG A 66 1.744 -11.125 9.248 1.00 0.00 N ATOM 1010 CA ARG A 66 1.933 -11.745 7.942 1.00 0.00 C ATOM 1011 C ARG A 66 0.629 -11.755 7.151 1.00 0.00 C ATOM 1012 O ARG A 66 -0.396 -11.252 7.615 1.00 0.00 O ATOM 1013 CB ARG A 66 2.454 -13.175 8.104 1.00 0.00 C ATOM 1014 CG ARG A 66 3.798 -13.257 8.810 1.00 0.00 C ATOM 1015 CD ARG A 66 4.138 -14.688 9.195 1.00 0.00 C ATOM 1016 NE ARG A 66 3.194 -15.232 10.167 1.00 0.00 N ATOM 1017 CZ ARG A 66 3.274 -16.463 10.659 1.00 0.00 C ATOM 1018 NH1 ARG A 66 4.248 -17.274 10.272 1.00 0.00 N ATOM 1019 NH2 ARG A 66 2.376 -16.887 11.540 1.00 0.00 N ATOM 0 H ARG A 66 0.971 -11.511 9.790 1.00 0.00 H new ATOM 0 HA ARG A 66 2.667 -11.157 7.391 1.00 0.00 H new ATOM 0 HB2 ARG A 66 1.723 -13.758 8.664 1.00 0.00 H new ATOM 0 HB3 ARG A 66 2.542 -13.635 7.120 1.00 0.00 H new ATOM 0 HG2 ARG A 66 4.577 -12.859 8.159 1.00 0.00 H new ATOM 0 HG3 ARG A 66 3.780 -12.633 9.704 1.00 0.00 H new ATOM 0 HD2 ARG A 66 4.139 -15.313 8.302 1.00 0.00 H new ATOM 0 HD3 ARG A 66 5.145 -14.722 9.610 1.00 0.00 H new ATOM 0 HE ARG A 66 2.432 -14.634 10.486 1.00 0.00 H new ATOM 0 HH11 ARG A 66 4.939 -16.953 9.594 1.00 0.00 H new ATOM 0 HH12 ARG A 66 4.306 -18.219 10.652 1.00 0.00 H new ATOM 0 HH21 ARG A 66 1.623 -16.267 11.840 1.00 0.00 H new ATOM 0 HH22 ARG A 66 2.439 -17.833 11.917 1.00 0.00 H new ATOM 1033 N CYS A 67 0.673 -12.327 5.953 1.00 0.00 N ATOM 1034 CA CYS A 67 -0.503 -12.402 5.096 1.00 0.00 C ATOM 1035 C CYS A 67 -1.351 -13.622 5.441 1.00 0.00 C ATOM 1036 O CYS A 67 -0.830 -14.718 5.647 1.00 0.00 O ATOM 1037 CB CYS A 67 -0.085 -12.457 3.625 1.00 0.00 C ATOM 1038 SG CYS A 67 -1.442 -12.131 2.454 1.00 0.00 S ATOM 0 H CYS A 67 1.513 -12.746 5.553 1.00 0.00 H new ATOM 0 HA CYS A 67 -1.102 -11.507 5.264 1.00 0.00 H new ATOM 0 HB2 CYS A 67 0.709 -11.729 3.456 1.00 0.00 H new ATOM 0 HB3 CYS A 67 0.334 -13.441 3.414 1.00 0.00 H new ATOM 1043 N THR A 68 -2.665 -13.424 5.502 1.00 0.00 N ATOM 1044 CA THR A 68 -3.587 -14.506 5.823 1.00 0.00 C ATOM 1045 C THR A 68 -4.559 -14.758 4.676 1.00 0.00 C ATOM 1046 O THR A 68 -5.644 -15.303 4.878 1.00 0.00 O ATOM 1047 CB THR A 68 -4.388 -14.201 7.103 1.00 0.00 C ATOM 1048 OG1 THR A 68 -5.169 -15.342 7.475 1.00 0.00 O ATOM 1049 CG2 THR A 68 -5.300 -13.001 6.897 1.00 0.00 C ATOM 0 H THR A 68 -3.114 -12.524 5.333 1.00 0.00 H new ATOM 0 HA THR A 68 -2.983 -15.398 5.986 1.00 0.00 H new ATOM 0 HB THR A 68 -3.682 -13.968 7.901 1.00 0.00 H new ATOM 0 HG1 THR A 68 -5.591 -15.724 6.677 1.00 0.00 H new ATOM 0 HG21 THR A 68 -5.856 -12.805 7.814 1.00 0.00 H new ATOM 0 HG22 THR A 68 -4.700 -12.127 6.642 1.00 0.00 H new ATOM 0 HG23 THR A 68 -5.999 -13.210 6.087 1.00 0.00 H new ATOM 1057 N GLY A 69 -4.163 -14.360 3.472 1.00 0.00 N ATOM 1058 CA GLY A 69 -5.011 -14.553 2.311 1.00 0.00 C ATOM 1059 C GLY A 69 -4.312 -15.312 1.201 1.00 0.00 C ATOM 1060 O GLY A 69 -4.378 -14.924 0.033 1.00 0.00 O ATOM 0 H GLY A 69 -3.270 -13.907 3.280 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -5.909 -15.095 2.607 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -5.334 -13.582 1.935 1.00 0.00 H new ATOM 1064 N THR A 70 -3.637 -16.399 1.564 1.00 0.00 N ATOM 1065 CA THR A 70 -2.920 -17.214 0.591 1.00 0.00 C ATOM 1066 C THR A 70 -3.505 -18.619 0.514 1.00 0.00 C ATOM 1067 O THR A 70 -4.322 -19.008 1.348 1.00 0.00 O ATOM 1068 CB THR A 70 -1.422 -17.312 0.936 1.00 0.00 C ATOM 1069 OG1 THR A 70 -1.258 -17.751 2.289 1.00 0.00 O ATOM 1070 CG2 THR A 70 -0.735 -15.967 0.747 1.00 0.00 C ATOM 0 H THR A 70 -3.572 -16.735 2.525 1.00 0.00 H new ATOM 0 HA THR A 70 -3.031 -16.723 -0.376 1.00 0.00 H new ATOM 0 HB THR A 70 -0.963 -18.035 0.262 1.00 0.00 H new ATOM 0 HG1 THR A 70 -0.303 -17.812 2.500 1.00 0.00 H new ATOM 0 HG21 THR A 70 0.322 -16.060 0.996 1.00 0.00 H new ATOM 0 HG22 THR A 70 -0.836 -15.649 -0.291 1.00 0.00 H new ATOM 0 HG23 THR A 70 -1.198 -15.227 1.400 1.00 0.00 H new ATOM 1078 N ALA A 71 -3.080 -19.378 -0.491 1.00 0.00 N ATOM 1079 CA ALA A 71 -3.559 -20.742 -0.674 1.00 0.00 C ATOM 1080 C ALA A 71 -2.484 -21.757 -0.302 1.00 0.00 C ATOM 1081 O ALA A 71 -1.296 -21.522 -0.514 1.00 0.00 O ATOM 1082 CB ALA A 71 -4.013 -20.953 -2.112 1.00 0.00 C ATOM 0 H ALA A 71 -2.405 -19.071 -1.191 1.00 0.00 H new ATOM 0 HA ALA A 71 -4.409 -20.894 -0.009 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -4.368 -21.976 -2.235 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -4.820 -20.258 -2.344 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -3.176 -20.776 -2.787 1.00 0.00 H new ATOM 1088 N ALA A 72 -2.910 -22.886 0.254 1.00 0.00 N ATOM 1089 CA ALA A 72 -1.984 -23.937 0.654 1.00 0.00 C ATOM 1090 C ALA A 72 -1.358 -24.611 -0.564 1.00 0.00 C ATOM 1091 O ALA A 72 -2.050 -24.942 -1.525 1.00 0.00 O ATOM 1092 CB ALA A 72 -2.695 -24.966 1.521 1.00 0.00 C ATOM 0 H ALA A 72 -3.891 -23.096 0.438 1.00 0.00 H new ATOM 0 HA ALA A 72 -1.184 -23.479 1.235 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -1.991 -25.745 1.812 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -3.088 -24.480 2.414 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -3.516 -25.411 0.959 1.00 0.00 H new ATOM 1098 N ASN A 73 -0.046 -24.811 -0.513 1.00 0.00 N ATOM 1099 CA ASN A 73 0.673 -25.444 -1.613 1.00 0.00 C ATOM 1100 C ASN A 73 1.367 -26.720 -1.146 1.00 0.00 C ATOM 1101 O ASN A 73 1.298 -27.755 -1.809 1.00 0.00 O ATOM 1102 CB ASN A 73 1.702 -24.477 -2.202 1.00 0.00 C ATOM 1103 CG ASN A 73 2.426 -25.061 -3.399 1.00 0.00 C ATOM 1104 OD1 ASN A 73 1.868 -25.151 -4.493 1.00 0.00 O ATOM 1105 ND2 ASN A 73 3.676 -25.461 -3.197 1.00 0.00 N ATOM 0 H ASN A 73 0.541 -24.544 0.277 1.00 0.00 H new ATOM 0 HA ASN A 73 -0.051 -25.706 -2.384 1.00 0.00 H new ATOM 0 HB2 ASN A 73 1.202 -23.555 -2.498 1.00 0.00 H new ATOM 0 HB3 ASN A 73 2.429 -24.213 -1.434 1.00 0.00 H new ATOM 0 HD21 ASN A 73 4.214 -25.862 -3.966 1.00 0.00 H new ATOM 0 HD22 ASN A 73 4.098 -25.367 -2.273 1.00 0.00 H new ATOM 1112 N SER A 74 2.037 -26.637 -0.001 1.00 0.00 N ATOM 1113 CA SER A 74 2.748 -27.784 0.554 1.00 0.00 C ATOM 1114 C SER A 74 1.856 -28.560 1.519 1.00 0.00 C ATOM 1115 O SER A 74 0.728 -28.155 1.801 1.00 0.00 O ATOM 1116 CB SER A 74 4.019 -27.325 1.271 1.00 0.00 C ATOM 1117 OG SER A 74 3.731 -26.309 2.216 1.00 0.00 O ATOM 0 H SER A 74 2.103 -25.788 0.561 1.00 0.00 H new ATOM 0 HA SER A 74 3.023 -28.444 -0.269 1.00 0.00 H new ATOM 0 HB2 SER A 74 4.483 -28.173 1.774 1.00 0.00 H new ATOM 0 HB3 SER A 74 4.739 -26.954 0.541 1.00 0.00 H new ATOM 0 HG SER A 74 4.559 -26.033 2.662 1.00 0.00 H new ATOM 1123 N ARG A 75 2.372 -29.676 2.023 1.00 0.00 N ATOM 1124 CA ARG A 75 1.624 -30.510 2.956 1.00 0.00 C ATOM 1125 C ARG A 75 0.805 -29.652 3.915 1.00 0.00 C ATOM 1126 O ARG A 75 1.342 -28.781 4.598 1.00 0.00 O ATOM 1127 CB ARG A 75 2.577 -31.409 3.746 1.00 0.00 C ATOM 1128 CG ARG A 75 2.992 -32.665 2.996 1.00 0.00 C ATOM 1129 CD ARG A 75 1.829 -33.633 2.845 1.00 0.00 C ATOM 1130 NE ARG A 75 1.312 -34.075 4.138 1.00 0.00 N ATOM 1131 CZ ARG A 75 1.827 -35.085 4.829 1.00 0.00 C ATOM 1132 NH1 ARG A 75 2.868 -35.756 4.354 1.00 0.00 N ATOM 1133 NH2 ARG A 75 1.302 -35.427 5.999 1.00 0.00 N ATOM 0 H ARG A 75 3.305 -30.024 1.801 1.00 0.00 H new ATOM 0 HA ARG A 75 0.941 -31.134 2.380 1.00 0.00 H new ATOM 0 HB2 ARG A 75 3.469 -30.839 4.005 1.00 0.00 H new ATOM 0 HB3 ARG A 75 2.099 -31.696 4.683 1.00 0.00 H new ATOM 0 HG2 ARG A 75 3.371 -32.393 2.011 1.00 0.00 H new ATOM 0 HG3 ARG A 75 3.808 -33.155 3.528 1.00 0.00 H new ATOM 0 HD2 ARG A 75 1.030 -33.154 2.280 1.00 0.00 H new ATOM 0 HD3 ARG A 75 2.152 -34.500 2.268 1.00 0.00 H new ATOM 0 HE ARG A 75 0.511 -33.580 4.531 1.00 0.00 H new ATOM 0 HH11 ARG A 75 3.275 -35.497 3.455 1.00 0.00 H new ATOM 0 HH12 ARG A 75 3.261 -36.531 4.887 1.00 0.00 H new ATOM 0 HH21 ARG A 75 0.502 -34.914 6.368 1.00 0.00 H new ATOM 0 HH22 ARG A 75 1.699 -36.203 6.529 1.00 0.00 H new ATOM 1147 N ASP A 76 -0.499 -29.905 3.960 1.00 0.00 N ATOM 1148 CA ASP A 76 -1.393 -29.156 4.836 1.00 0.00 C ATOM 1149 C ASP A 76 -1.228 -29.598 6.287 1.00 0.00 C ATOM 1150 O ASP A 76 -0.849 -30.737 6.561 1.00 0.00 O ATOM 1151 CB ASP A 76 -2.846 -29.342 4.395 1.00 0.00 C ATOM 1152 CG ASP A 76 -3.389 -30.712 4.754 1.00 0.00 C ATOM 1153 OD1 ASP A 76 -2.698 -31.714 4.479 1.00 0.00 O ATOM 1154 OD2 ASP A 76 -4.507 -30.780 5.309 1.00 0.00 O ATOM 0 H ASP A 76 -0.960 -30.622 3.400 1.00 0.00 H new ATOM 0 HA ASP A 76 -1.132 -28.100 4.765 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -3.465 -28.575 4.861 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -2.917 -29.197 3.317 1.00 0.00 H new ATOM 1159 N THR A 77 -1.514 -28.688 7.213 1.00 0.00 N ATOM 1160 CA THR A 77 -1.395 -28.983 8.635 1.00 0.00 C ATOM 1161 C THR A 77 -2.590 -28.440 9.411 1.00 0.00 C ATOM 1162 O THR A 77 -3.050 -27.325 9.163 1.00 0.00 O ATOM 1163 CB THR A 77 -0.102 -28.389 9.226 1.00 0.00 C ATOM 1164 OG1 THR A 77 1.038 -28.918 8.540 1.00 0.00 O ATOM 1165 CG2 THR A 77 0.006 -28.697 10.711 1.00 0.00 C ATOM 0 H THR A 77 -1.830 -27.741 7.003 1.00 0.00 H new ATOM 0 HA THR A 77 -1.365 -30.068 8.731 1.00 0.00 H new ATOM 0 HB THR A 77 -0.134 -27.307 9.097 1.00 0.00 H new ATOM 0 HG1 THR A 77 1.856 -28.534 8.920 1.00 0.00 H new ATOM 0 HG21 THR A 77 0.927 -28.267 11.106 1.00 0.00 H new ATOM 0 HG22 THR A 77 -0.848 -28.268 11.235 1.00 0.00 H new ATOM 0 HG23 THR A 77 0.017 -29.777 10.859 1.00 0.00 H new ATOM 1173 N SER A 78 -3.089 -29.235 10.352 1.00 0.00 N ATOM 1174 CA SER A 78 -4.234 -28.836 11.162 1.00 0.00 C ATOM 1175 C SER A 78 -4.155 -27.354 11.521 1.00 0.00 C ATOM 1176 O SER A 78 -3.182 -26.900 12.120 1.00 0.00 O ATOM 1177 CB SER A 78 -4.302 -29.677 12.438 1.00 0.00 C ATOM 1178 OG SER A 78 -4.714 -31.002 12.153 1.00 0.00 O ATOM 0 H SER A 78 -2.718 -30.159 10.572 1.00 0.00 H new ATOM 0 HA SER A 78 -5.138 -29.004 10.576 1.00 0.00 H new ATOM 0 HB2 SER A 78 -3.324 -29.692 12.920 1.00 0.00 H new ATOM 0 HB3 SER A 78 -4.997 -29.220 13.142 1.00 0.00 H new ATOM 0 HG SER A 78 -4.748 -31.520 12.984 1.00 0.00 H new ATOM 1184 N GLY A 79 -5.189 -26.606 11.147 1.00 0.00 N ATOM 1185 CA GLY A 79 -5.219 -25.184 11.437 1.00 0.00 C ATOM 1186 C GLY A 79 -6.278 -24.452 10.638 1.00 0.00 C ATOM 1187 O GLY A 79 -6.003 -23.871 9.587 1.00 0.00 O ATOM 0 H GLY A 79 -6.006 -26.959 10.649 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -5.405 -25.037 12.501 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -4.242 -24.752 11.221 1.00 0.00 H new ATOM 1191 N PRO A 80 -7.522 -24.474 11.138 1.00 0.00 N ATOM 1192 CA PRO A 80 -8.652 -23.812 10.479 1.00 0.00 C ATOM 1193 C PRO A 80 -8.550 -22.292 10.540 1.00 0.00 C ATOM 1194 O PRO A 80 -8.121 -21.729 11.547 1.00 0.00 O ATOM 1195 CB PRO A 80 -9.864 -24.299 11.278 1.00 0.00 C ATOM 1196 CG PRO A 80 -9.319 -24.641 12.622 1.00 0.00 C ATOM 1197 CD PRO A 80 -7.922 -25.146 12.386 1.00 0.00 C ATOM 0 HA PRO A 80 -8.700 -24.051 9.417 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -10.630 -23.526 11.346 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -10.327 -25.166 10.806 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -9.313 -23.768 13.275 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -9.931 -25.400 13.110 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -7.257 -24.890 13.211 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -7.899 -26.231 12.283 1.00 0.00 H new ATOM 1205 N SER A 81 -8.947 -21.633 9.456 1.00 0.00 N ATOM 1206 CA SER A 81 -8.896 -20.177 9.386 1.00 0.00 C ATOM 1207 C SER A 81 -9.839 -19.551 10.410 1.00 0.00 C ATOM 1208 O SER A 81 -10.892 -20.106 10.723 1.00 0.00 O ATOM 1209 CB SER A 81 -9.264 -19.700 7.979 1.00 0.00 C ATOM 1210 OG SER A 81 -9.382 -18.289 7.933 1.00 0.00 O ATOM 0 H SER A 81 -9.307 -22.084 8.615 1.00 0.00 H new ATOM 0 HA SER A 81 -7.878 -19.862 9.614 1.00 0.00 H new ATOM 0 HB2 SER A 81 -8.504 -20.028 7.270 1.00 0.00 H new ATOM 0 HB3 SER A 81 -10.205 -20.157 7.671 1.00 0.00 H new ATOM 0 HG SER A 81 -9.616 -18.010 7.023 1.00 0.00 H new ATOM 1216 N SER A 82 -9.452 -18.389 10.927 1.00 0.00 N ATOM 1217 CA SER A 82 -10.259 -17.687 11.919 1.00 0.00 C ATOM 1218 C SER A 82 -10.100 -16.177 11.777 1.00 0.00 C ATOM 1219 O SER A 82 -9.186 -15.697 11.109 1.00 0.00 O ATOM 1220 CB SER A 82 -9.864 -18.123 13.330 1.00 0.00 C ATOM 1221 OG SER A 82 -8.619 -17.562 13.708 1.00 0.00 O ATOM 0 H SER A 82 -8.585 -17.914 10.676 1.00 0.00 H new ATOM 0 HA SER A 82 -11.305 -17.942 11.748 1.00 0.00 H new ATOM 0 HB2 SER A 82 -10.634 -17.816 14.038 1.00 0.00 H new ATOM 0 HB3 SER A 82 -9.805 -19.210 13.375 1.00 0.00 H new ATOM 0 HG SER A 82 -8.390 -17.855 14.615 1.00 0.00 H new ATOM 1227 N GLY A 83 -10.999 -15.431 12.414 1.00 0.00 N ATOM 1228 CA GLY A 83 -10.942 -13.983 12.347 1.00 0.00 C ATOM 1229 C GLY A 83 -12.052 -13.397 11.497 1.00 0.00 C ATOM 1230 O GLY A 83 -12.830 -14.157 10.921 1.00 0.00 O ATOM 0 H GLY A 83 -11.765 -15.804 12.975 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -11.006 -13.573 13.355 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -9.978 -13.679 11.940 1.00 0.00 H new TER 1234 GLY A 83 HETATM 1235 ZN ZN A 201 -1.695 -9.842 2.210 1.00 0.00 ZN HETATM 1236 ZN ZN A 401 0.356 3.743 6.552 1.00 0.00 ZN