USER MOD reduce.3.24.130724 H: found=0, std=0, add=747, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 741 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 28 HIS HD1 : A 28 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (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 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 CYS SG : rot 48:sc= -1 USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.782 USER MOD Single : A 14 LYS NZ :NH3+ -151:sc= 0 (180deg=-0.0114) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ -171:sc= -2.01! (180deg=-2.15!) USER MOD Single : A 23 ASN : amide:sc= -5.28! C(o=-5.3!,f=-12!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot -124:sc= -0.836 USER MOD Single : A 38 MET CE :methyl -121:sc= -0.188 (180deg=-0.4) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= -0.0614 X(o=-0.061,f=-0.27) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= -0.238 USER MOD Single : A 53 GLN : amide:sc= -0.773 K(o=-0.77,f=-4.1!) USER MOD Single : A 57 SER OG : rot 180:sc=5.44e-05 USER MOD Single : A 58 HIS : no HD1:sc= -1.74 K(o=-1.7,f=-4.3!) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0.123 USER MOD Single : A 68 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 78 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 80 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 HIS : no HD1:sc= 0 X(o=0,f=-0.038) USER MOD Single : A 86 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 87 SER OG : rot 180:sc= 0.123 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0.00547 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 5.000 13.703 26.374 1.00 0.00 N ATOM 2 CA GLY A 1 4.416 13.640 25.047 1.00 0.00 C ATOM 3 C GLY A 1 5.046 14.631 24.088 1.00 0.00 C ATOM 4 O GLY A 1 6.108 14.370 23.524 1.00 0.00 O ATOM 0 H1 GLY A 1 4.535 13.007 26.991 1.00 0.00 H new ATOM 0 H2 GLY A 1 6.016 13.491 26.316 1.00 0.00 H new ATOM 0 H3 GLY A 1 4.867 14.657 26.767 1.00 0.00 H new ATOM 0 HA2 GLY A 1 4.532 12.631 24.650 1.00 0.00 H new ATOM 0 HA3 GLY A 1 3.346 13.835 25.115 1.00 0.00 H new ATOM 8 N SER A 2 4.389 15.771 23.901 1.00 0.00 N ATOM 9 CA SER A 2 4.888 16.802 22.999 1.00 0.00 C ATOM 10 C SER A 2 5.191 16.219 21.622 1.00 0.00 C ATOM 11 O SER A 2 6.191 16.567 20.995 1.00 0.00 O ATOM 12 CB SER A 2 6.147 17.450 23.579 1.00 0.00 C ATOM 13 OG SER A 2 6.315 18.768 23.087 1.00 0.00 O ATOM 0 H SER A 2 3.510 16.004 24.362 1.00 0.00 H new ATOM 0 HA SER A 2 4.114 17.561 22.890 1.00 0.00 H new ATOM 0 HB2 SER A 2 6.081 17.470 24.667 1.00 0.00 H new ATOM 0 HB3 SER A 2 7.020 16.849 23.324 1.00 0.00 H new ATOM 0 HG SER A 2 7.125 19.161 23.474 1.00 0.00 H new ATOM 19 N SER A 3 4.318 15.331 21.158 1.00 0.00 N ATOM 20 CA SER A 3 4.492 14.696 19.857 1.00 0.00 C ATOM 21 C SER A 3 3.142 14.435 19.195 1.00 0.00 C ATOM 22 O SER A 3 2.462 13.460 19.510 1.00 0.00 O ATOM 23 CB SER A 3 5.262 13.382 20.006 1.00 0.00 C ATOM 24 OG SER A 3 6.614 13.536 19.610 1.00 0.00 O ATOM 0 H SER A 3 3.483 15.035 21.664 1.00 0.00 H new ATOM 0 HA SER A 3 5.063 15.374 19.223 1.00 0.00 H new ATOM 0 HB2 SER A 3 5.219 13.047 21.042 1.00 0.00 H new ATOM 0 HB3 SER A 3 4.788 12.609 19.401 1.00 0.00 H new ATOM 0 HG SER A 3 7.085 12.683 19.716 1.00 0.00 H new ATOM 30 N GLY A 4 2.762 15.315 18.274 1.00 0.00 N ATOM 31 CA GLY A 4 1.496 15.164 17.581 1.00 0.00 C ATOM 32 C GLY A 4 1.645 15.250 16.075 1.00 0.00 C ATOM 33 O GLY A 4 1.065 16.129 15.437 1.00 0.00 O ATOM 0 H GLY A 4 3.308 16.130 17.995 1.00 0.00 H new ATOM 0 HA2 GLY A 4 1.053 14.204 17.845 1.00 0.00 H new ATOM 0 HA3 GLY A 4 0.806 15.937 17.919 1.00 0.00 H new ATOM 37 N SER A 5 2.425 14.337 15.506 1.00 0.00 N ATOM 38 CA SER A 5 2.653 14.317 14.066 1.00 0.00 C ATOM 39 C SER A 5 1.330 14.308 13.306 1.00 0.00 C ATOM 40 O SER A 5 0.305 13.872 13.829 1.00 0.00 O ATOM 41 CB SER A 5 3.486 13.094 13.677 1.00 0.00 C ATOM 42 OG SER A 5 4.734 13.479 13.128 1.00 0.00 O ATOM 0 H SER A 5 2.910 13.601 16.020 1.00 0.00 H new ATOM 0 HA SER A 5 3.200 15.221 13.797 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.649 12.468 14.554 1.00 0.00 H new ATOM 0 HB3 SER A 5 2.937 12.492 12.953 1.00 0.00 H new ATOM 0 HG SER A 5 5.247 12.679 12.890 1.00 0.00 H new ATOM 48 N SER A 6 1.362 14.794 12.070 1.00 0.00 N ATOM 49 CA SER A 6 0.166 14.847 11.238 1.00 0.00 C ATOM 50 C SER A 6 0.369 14.065 9.944 1.00 0.00 C ATOM 51 O SER A 6 0.350 14.632 8.853 1.00 0.00 O ATOM 52 CB SER A 6 -0.196 16.298 10.918 1.00 0.00 C ATOM 53 OG SER A 6 -1.486 16.387 10.338 1.00 0.00 O ATOM 0 H SER A 6 2.204 15.157 11.622 1.00 0.00 H new ATOM 0 HA SER A 6 -0.653 14.390 11.794 1.00 0.00 H new ATOM 0 HB2 SER A 6 -0.162 16.894 11.830 1.00 0.00 H new ATOM 0 HB3 SER A 6 0.543 16.718 10.235 1.00 0.00 H new ATOM 0 HG SER A 6 -1.694 17.325 10.144 1.00 0.00 H new ATOM 59 N GLY A 7 0.563 12.756 10.075 1.00 0.00 N ATOM 60 CA GLY A 7 0.767 11.916 8.909 1.00 0.00 C ATOM 61 C GLY A 7 0.036 10.592 9.013 1.00 0.00 C ATOM 62 O GLY A 7 -1.073 10.527 9.544 1.00 0.00 O ATOM 0 H GLY A 7 0.583 12.262 10.967 1.00 0.00 H new ATOM 0 HA2 GLY A 7 0.427 12.446 8.019 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.833 11.730 8.781 1.00 0.00 H new ATOM 66 N PHE A 8 0.657 9.534 8.503 1.00 0.00 N ATOM 67 CA PHE A 8 0.057 8.205 8.538 1.00 0.00 C ATOM 68 C PHE A 8 1.099 7.146 8.887 1.00 0.00 C ATOM 69 O PHE A 8 2.077 6.957 8.162 1.00 0.00 O ATOM 70 CB PHE A 8 -0.588 7.877 7.190 1.00 0.00 C ATOM 71 CG PHE A 8 -1.920 8.541 6.986 1.00 0.00 C ATOM 72 CD1 PHE A 8 -3.085 7.936 7.428 1.00 0.00 C ATOM 73 CD2 PHE A 8 -2.006 9.769 6.350 1.00 0.00 C ATOM 74 CE1 PHE A 8 -4.312 8.544 7.242 1.00 0.00 C ATOM 75 CE2 PHE A 8 -3.231 10.382 6.162 1.00 0.00 C ATOM 76 CZ PHE A 8 -4.385 9.769 6.607 1.00 0.00 C ATOM 0 H PHE A 8 1.575 9.571 8.061 1.00 0.00 H new ATOM 0 HA PHE A 8 -0.712 8.202 9.311 1.00 0.00 H new ATOM 0 HB2 PHE A 8 0.087 8.181 6.390 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -0.713 6.797 7.109 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -3.034 6.978 7.924 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -1.107 10.252 5.997 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -5.213 8.062 7.593 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -3.285 11.340 5.667 1.00 0.00 H new ATOM 0 HZ PHE A 8 -5.343 10.246 6.459 1.00 0.00 H new ATOM 86 N THR A 9 0.884 6.458 10.004 1.00 0.00 N ATOM 87 CA THR A 9 1.804 5.420 10.451 1.00 0.00 C ATOM 88 C THR A 9 1.091 4.080 10.600 1.00 0.00 C ATOM 89 O THR A 9 -0.021 4.013 11.123 1.00 0.00 O ATOM 90 CB THR A 9 2.461 5.791 11.794 1.00 0.00 C ATOM 91 OG1 THR A 9 1.699 6.814 12.445 1.00 0.00 O ATOM 92 CG2 THR A 9 3.889 6.272 11.583 1.00 0.00 C ATOM 0 H THR A 9 0.080 6.601 10.616 1.00 0.00 H new ATOM 0 HA THR A 9 2.578 5.334 9.688 1.00 0.00 H new ATOM 0 HB THR A 9 2.484 4.900 12.421 1.00 0.00 H new ATOM 0 HG1 THR A 9 2.122 7.043 13.299 1.00 0.00 H new ATOM 0 HG21 THR A 9 4.333 6.528 12.545 1.00 0.00 H new ATOM 0 HG22 THR A 9 4.474 5.481 11.113 1.00 0.00 H new ATOM 0 HG23 THR A 9 3.885 7.152 10.939 1.00 0.00 H new ATOM 100 N CYS A 10 1.739 3.016 10.138 1.00 0.00 N ATOM 101 CA CYS A 10 1.166 1.677 10.220 1.00 0.00 C ATOM 102 C CYS A 10 1.357 1.089 11.614 1.00 0.00 C ATOM 103 O CYS A 10 2.456 1.089 12.170 1.00 0.00 O ATOM 104 CB CYS A 10 1.805 0.762 9.175 1.00 0.00 C ATOM 105 SG CYS A 10 0.813 -0.692 8.761 1.00 0.00 S ATOM 0 H CYS A 10 2.661 3.055 9.703 1.00 0.00 H new ATOM 0 HA CYS A 10 0.097 1.753 10.021 1.00 0.00 H new ATOM 0 HB2 CYS A 10 1.985 1.336 8.266 1.00 0.00 H new ATOM 0 HB3 CYS A 10 2.777 0.433 9.542 1.00 0.00 H new ATOM 0 HG CYS A 10 -0.414 -0.329 8.531 1.00 0.00 H new ATOM 111 N PRO A 11 0.262 0.577 12.195 1.00 0.00 N ATOM 112 CA PRO A 11 0.284 -0.023 13.533 1.00 0.00 C ATOM 113 C PRO A 11 1.039 -1.348 13.562 1.00 0.00 C ATOM 114 O PRO A 11 1.287 -1.908 14.630 1.00 0.00 O ATOM 115 CB PRO A 11 -1.198 -0.246 13.845 1.00 0.00 C ATOM 116 CG PRO A 11 -1.854 -0.360 12.512 1.00 0.00 C ATOM 117 CD PRO A 11 -1.080 0.543 11.592 1.00 0.00 C ATOM 0 HA PRO A 11 0.796 0.612 14.256 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -1.346 -1.149 14.437 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -1.611 0.583 14.419 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -1.836 -1.390 12.155 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -2.900 -0.059 12.565 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -1.053 0.152 10.575 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -1.522 1.538 11.540 1.00 0.00 H new ATOM 125 N ILE A 12 1.402 -1.843 12.384 1.00 0.00 N ATOM 126 CA ILE A 12 2.130 -3.101 12.276 1.00 0.00 C ATOM 127 C ILE A 12 3.616 -2.857 12.036 1.00 0.00 C ATOM 128 O ILE A 12 4.457 -3.216 12.862 1.00 0.00 O ATOM 129 CB ILE A 12 1.575 -3.977 11.137 1.00 0.00 C ATOM 130 CG1 ILE A 12 0.092 -4.273 11.368 1.00 0.00 C ATOM 131 CG2 ILE A 12 2.369 -5.270 11.028 1.00 0.00 C ATOM 132 CD1 ILE A 12 -0.637 -4.721 10.121 1.00 0.00 C ATOM 0 H ILE A 12 1.204 -1.392 11.491 1.00 0.00 H new ATOM 0 HA ILE A 12 1.998 -3.624 13.223 1.00 0.00 H new ATOM 0 HB ILE A 12 1.675 -3.433 10.198 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -0.001 -5.046 12.131 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -0.392 -3.378 11.760 1.00 0.00 H new ATOM 0 HG21 ILE A 12 1.965 -5.878 10.219 1.00 0.00 H new ATOM 0 HG22 ILE A 12 3.414 -5.039 10.821 1.00 0.00 H new ATOM 0 HG23 ILE A 12 2.298 -5.821 11.966 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.683 -4.913 10.360 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -0.575 -3.940 9.363 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -0.179 -5.634 9.740 1.00 0.00 H new ATOM 144 N THR A 13 3.934 -2.242 10.902 1.00 0.00 N ATOM 145 CA THR A 13 5.319 -1.948 10.553 1.00 0.00 C ATOM 146 C THR A 13 5.870 -0.810 11.404 1.00 0.00 C ATOM 147 O THR A 13 7.083 -0.668 11.560 1.00 0.00 O ATOM 148 CB THR A 13 5.457 -1.576 9.065 1.00 0.00 C ATOM 149 OG1 THR A 13 4.809 -0.324 8.811 1.00 0.00 O ATOM 150 CG2 THR A 13 4.852 -2.654 8.179 1.00 0.00 C ATOM 0 H THR A 13 3.251 -1.937 10.208 1.00 0.00 H new ATOM 0 HA THR A 13 5.893 -2.854 10.747 1.00 0.00 H new ATOM 0 HB THR A 13 6.518 -1.490 8.832 1.00 0.00 H new ATOM 0 HG1 THR A 13 4.903 -0.094 7.863 1.00 0.00 H new ATOM 0 HG21 THR A 13 4.961 -2.369 7.133 1.00 0.00 H new ATOM 0 HG22 THR A 13 5.366 -3.599 8.353 1.00 0.00 H new ATOM 0 HG23 THR A 13 3.794 -2.768 8.415 1.00 0.00 H new ATOM 158 N LYS A 14 4.972 0.001 11.953 1.00 0.00 N ATOM 159 CA LYS A 14 5.368 1.127 12.790 1.00 0.00 C ATOM 160 C LYS A 14 6.174 2.144 11.989 1.00 0.00 C ATOM 161 O LYS A 14 7.181 2.665 12.466 1.00 0.00 O ATOM 162 CB LYS A 14 6.189 0.637 13.985 1.00 0.00 C ATOM 163 CG LYS A 14 5.581 -0.565 14.689 1.00 0.00 C ATOM 164 CD LYS A 14 4.246 -0.221 15.328 1.00 0.00 C ATOM 165 CE LYS A 14 4.011 -1.028 16.595 1.00 0.00 C ATOM 166 NZ LYS A 14 4.814 -0.514 17.738 1.00 0.00 N ATOM 0 H LYS A 14 3.964 -0.101 11.833 1.00 0.00 H new ATOM 0 HA LYS A 14 4.463 1.613 13.154 1.00 0.00 H new ATOM 0 HB2 LYS A 14 7.192 0.379 13.645 1.00 0.00 H new ATOM 0 HB3 LYS A 14 6.295 1.452 14.701 1.00 0.00 H new ATOM 0 HG2 LYS A 14 5.445 -1.376 13.974 1.00 0.00 H new ATOM 0 HG3 LYS A 14 6.269 -0.926 15.453 1.00 0.00 H new ATOM 0 HD2 LYS A 14 4.217 0.843 15.562 1.00 0.00 H new ATOM 0 HD3 LYS A 14 3.441 -0.413 14.618 1.00 0.00 H new ATOM 0 HE2 LYS A 14 2.952 -0.999 16.853 1.00 0.00 H new ATOM 0 HE3 LYS A 14 4.266 -2.072 16.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 5.029 -1.295 18.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 5.702 -0.106 17.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 4.273 0.218 18.241 1.00 0.00 H new ATOM 180 N GLU A 15 5.723 2.422 10.770 1.00 0.00 N ATOM 181 CA GLU A 15 6.403 3.377 9.903 1.00 0.00 C ATOM 182 C GLU A 15 5.425 4.014 8.921 1.00 0.00 C ATOM 183 O GLU A 15 4.279 3.582 8.803 1.00 0.00 O ATOM 184 CB GLU A 15 7.535 2.689 9.138 1.00 0.00 C ATOM 185 CG GLU A 15 7.056 1.607 8.185 1.00 0.00 C ATOM 186 CD GLU A 15 7.858 1.565 6.898 1.00 0.00 C ATOM 187 OE1 GLU A 15 8.881 0.851 6.859 1.00 0.00 O ATOM 188 OE2 GLU A 15 7.461 2.248 5.930 1.00 0.00 O ATOM 0 H GLU A 15 4.890 2.000 10.361 1.00 0.00 H new ATOM 0 HA GLU A 15 6.823 4.163 10.531 1.00 0.00 H new ATOM 0 HB2 GLU A 15 8.089 3.439 8.574 1.00 0.00 H new ATOM 0 HB3 GLU A 15 8.231 2.250 9.853 1.00 0.00 H new ATOM 0 HG2 GLU A 15 7.120 0.638 8.680 1.00 0.00 H new ATOM 0 HG3 GLU A 15 6.005 1.776 7.949 1.00 0.00 H new ATOM 195 N GLU A 16 5.886 5.045 8.220 1.00 0.00 N ATOM 196 CA GLU A 16 5.051 5.743 7.250 1.00 0.00 C ATOM 197 C GLU A 16 4.433 4.762 6.258 1.00 0.00 C ATOM 198 O GLU A 16 5.051 3.762 5.891 1.00 0.00 O ATOM 199 CB GLU A 16 5.871 6.795 6.500 1.00 0.00 C ATOM 200 CG GLU A 16 5.048 7.975 6.011 1.00 0.00 C ATOM 201 CD GLU A 16 5.799 9.288 6.102 1.00 0.00 C ATOM 202 OE1 GLU A 16 6.302 9.610 7.199 1.00 0.00 O ATOM 203 OE2 GLU A 16 5.885 9.994 5.076 1.00 0.00 O ATOM 0 H GLU A 16 6.833 5.415 8.306 1.00 0.00 H new ATOM 0 HA GLU A 16 4.247 6.239 7.793 1.00 0.00 H new ATOM 0 HB2 GLU A 16 6.662 7.161 7.155 1.00 0.00 H new ATOM 0 HB3 GLU A 16 6.357 6.323 5.646 1.00 0.00 H new ATOM 0 HG2 GLU A 16 4.751 7.802 4.977 1.00 0.00 H new ATOM 0 HG3 GLU A 16 4.133 8.043 6.599 1.00 0.00 H new ATOM 210 N MET A 17 3.210 5.054 5.828 1.00 0.00 N ATOM 211 CA MET A 17 2.509 4.198 4.878 1.00 0.00 C ATOM 212 C MET A 17 2.537 4.803 3.478 1.00 0.00 C ATOM 213 O MET A 17 2.494 6.023 3.316 1.00 0.00 O ATOM 214 CB MET A 17 1.062 3.983 5.325 1.00 0.00 C ATOM 215 CG MET A 17 0.938 3.403 6.724 1.00 0.00 C ATOM 216 SD MET A 17 -0.526 2.367 6.919 1.00 0.00 S ATOM 217 CE MET A 17 -1.826 3.593 6.802 1.00 0.00 C ATOM 0 H MET A 17 2.684 5.877 6.122 1.00 0.00 H new ATOM 0 HA MET A 17 3.019 3.235 4.848 1.00 0.00 H new ATOM 0 HB2 MET A 17 0.533 4.936 5.287 1.00 0.00 H new ATOM 0 HB3 MET A 17 0.568 3.316 4.619 1.00 0.00 H new ATOM 0 HG2 MET A 17 1.827 2.815 6.949 1.00 0.00 H new ATOM 0 HG3 MET A 17 0.902 4.216 7.449 1.00 0.00 H new ATOM 0 HE1 MET A 17 -2.796 3.106 6.904 1.00 0.00 H new ATOM 0 HE2 MET A 17 -1.704 4.329 7.596 1.00 0.00 H new ATOM 0 HE3 MET A 17 -1.770 4.091 5.834 1.00 0.00 H new ATOM 227 N LYS A 18 2.609 3.943 2.468 1.00 0.00 N ATOM 228 CA LYS A 18 2.642 4.392 1.081 1.00 0.00 C ATOM 229 C LYS A 18 1.437 3.864 0.310 1.00 0.00 C ATOM 230 O LYS A 18 0.949 4.509 -0.619 1.00 0.00 O ATOM 231 CB LYS A 18 3.935 3.931 0.405 1.00 0.00 C ATOM 232 CG LYS A 18 5.192 4.344 1.151 1.00 0.00 C ATOM 233 CD LYS A 18 5.471 5.829 0.995 1.00 0.00 C ATOM 234 CE LYS A 18 6.961 6.127 1.061 1.00 0.00 C ATOM 235 NZ LYS A 18 7.450 6.200 2.465 1.00 0.00 N ATOM 0 H LYS A 18 2.646 2.930 2.584 1.00 0.00 H new ATOM 0 HA LYS A 18 2.605 5.481 1.077 1.00 0.00 H new ATOM 0 HB2 LYS A 18 3.919 2.845 0.311 1.00 0.00 H new ATOM 0 HB3 LYS A 18 3.972 4.338 -0.605 1.00 0.00 H new ATOM 0 HG2 LYS A 18 5.084 4.102 2.208 1.00 0.00 H new ATOM 0 HG3 LYS A 18 6.042 3.772 0.778 1.00 0.00 H new ATOM 0 HD2 LYS A 18 5.071 6.177 0.043 1.00 0.00 H new ATOM 0 HD3 LYS A 18 4.953 6.382 1.779 1.00 0.00 H new ATOM 0 HE2 LYS A 18 7.510 5.353 0.525 1.00 0.00 H new ATOM 0 HE3 LYS A 18 7.165 7.071 0.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 8.470 6.405 2.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 6.944 6.955 2.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 7.278 5.291 2.940 1.00 0.00 H new ATOM 249 N LYS A 19 0.958 2.687 0.701 1.00 0.00 N ATOM 250 CA LYS A 19 -0.192 2.073 0.049 1.00 0.00 C ATOM 251 C LYS A 19 -1.299 1.785 1.058 1.00 0.00 C ATOM 252 O LYS A 19 -1.438 0.670 1.562 1.00 0.00 O ATOM 253 CB LYS A 19 0.224 0.778 -0.651 1.00 0.00 C ATOM 254 CG LYS A 19 0.872 1.001 -2.007 1.00 0.00 C ATOM 255 CD LYS A 19 2.351 0.654 -1.981 1.00 0.00 C ATOM 256 CE LYS A 19 2.845 0.218 -3.352 1.00 0.00 C ATOM 257 NZ LYS A 19 4.125 0.885 -3.719 1.00 0.00 N ATOM 0 H LYS A 19 1.350 2.139 1.467 1.00 0.00 H new ATOM 0 HA LYS A 19 -0.574 2.773 -0.694 1.00 0.00 H new ATOM 0 HB2 LYS A 19 0.919 0.236 -0.010 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -0.654 0.145 -0.777 1.00 0.00 H new ATOM 0 HG2 LYS A 19 0.367 0.392 -2.757 1.00 0.00 H new ATOM 0 HG3 LYS A 19 0.747 2.042 -2.305 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.923 1.519 -1.645 1.00 0.00 H new ATOM 0 HD3 LYS A 19 2.526 -0.144 -1.259 1.00 0.00 H new ATOM 0 HE2 LYS A 19 2.983 -0.863 -3.361 1.00 0.00 H new ATOM 0 HE3 LYS A 19 2.088 0.449 -4.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 4.428 0.561 -4.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 3.987 1.916 -3.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 4.855 0.645 -3.018 1.00 0.00 H new ATOM 271 N PRO A 20 -2.109 2.811 1.359 1.00 0.00 N ATOM 272 CA PRO A 20 -3.219 2.692 2.309 1.00 0.00 C ATOM 273 C PRO A 20 -4.354 1.829 1.767 1.00 0.00 C ATOM 274 O PRO A 20 -4.902 2.104 0.700 1.00 0.00 O ATOM 275 CB PRO A 20 -3.687 4.138 2.491 1.00 0.00 C ATOM 276 CG PRO A 20 -3.279 4.829 1.236 1.00 0.00 C ATOM 277 CD PRO A 20 -2.002 4.168 0.796 1.00 0.00 C ATOM 0 HA PRO A 20 -2.912 2.209 3.237 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -4.766 4.189 2.638 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -3.224 4.597 3.364 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -4.050 4.736 0.471 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -3.128 5.895 1.409 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -1.914 4.147 -0.290 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -1.126 4.693 1.176 1.00 0.00 H new ATOM 285 N VAL A 21 -4.702 0.783 2.511 1.00 0.00 N ATOM 286 CA VAL A 21 -5.773 -0.120 2.106 1.00 0.00 C ATOM 287 C VAL A 21 -6.915 -0.106 3.117 1.00 0.00 C ATOM 288 O VAL A 21 -6.709 -0.350 4.306 1.00 0.00 O ATOM 289 CB VAL A 21 -5.260 -1.563 1.947 1.00 0.00 C ATOM 290 CG1 VAL A 21 -4.316 -1.667 0.758 1.00 0.00 C ATOM 291 CG2 VAL A 21 -4.576 -2.029 3.223 1.00 0.00 C ATOM 0 H VAL A 21 -4.258 0.540 3.397 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.140 0.235 1.143 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.114 -2.215 1.761 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -3.964 -2.694 0.662 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -4.843 -1.377 -0.151 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -3.464 -1.004 0.911 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.220 -3.051 3.093 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.732 -1.376 3.443 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -5.286 -1.995 4.050 1.00 0.00 H new ATOM 301 N LYS A 22 -8.120 0.180 2.636 1.00 0.00 N ATOM 302 CA LYS A 22 -9.296 0.223 3.496 1.00 0.00 C ATOM 303 C LYS A 22 -10.046 -1.105 3.460 1.00 0.00 C ATOM 304 O LYS A 22 -10.116 -1.761 2.422 1.00 0.00 O ATOM 305 CB LYS A 22 -10.228 1.358 3.063 1.00 0.00 C ATOM 306 CG LYS A 22 -11.321 1.666 4.071 1.00 0.00 C ATOM 307 CD LYS A 22 -12.588 2.154 3.389 1.00 0.00 C ATOM 308 CE LYS A 22 -13.291 1.028 2.648 1.00 0.00 C ATOM 309 NZ LYS A 22 -14.106 1.536 1.510 1.00 0.00 N ATOM 0 H LYS A 22 -8.308 0.386 1.655 1.00 0.00 H new ATOM 0 HA LYS A 22 -8.962 0.404 4.518 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -9.637 2.258 2.895 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -10.688 1.096 2.110 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -11.542 0.772 4.654 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -10.969 2.424 4.771 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -13.262 2.578 4.133 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -12.341 2.953 2.690 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -12.550 0.320 2.276 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -13.933 0.483 3.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -14.687 0.763 1.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -14.725 2.303 1.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -13.476 1.897 0.766 1.00 0.00 H new ATOM 323 N ASN A 23 -10.606 -1.493 4.601 1.00 0.00 N ATOM 324 CA ASN A 23 -11.351 -2.743 4.700 1.00 0.00 C ATOM 325 C ASN A 23 -12.834 -2.515 4.425 1.00 0.00 C ATOM 326 O ASN A 23 -13.354 -1.418 4.630 1.00 0.00 O ATOM 327 CB ASN A 23 -11.167 -3.362 6.087 1.00 0.00 C ATOM 328 CG ASN A 23 -11.253 -4.876 6.061 1.00 0.00 C ATOM 329 OD1 ASN A 23 -12.055 -5.451 5.325 1.00 0.00 O ATOM 330 ND2 ASN A 23 -10.423 -5.529 6.866 1.00 0.00 N ATOM 0 H ASN A 23 -10.558 -0.960 5.470 1.00 0.00 H new ATOM 0 HA ASN A 23 -10.962 -3.430 3.949 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -10.199 -3.063 6.490 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -11.928 -2.969 6.761 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -10.434 -6.549 6.891 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -9.775 -5.011 7.459 1.00 0.00 H new ATOM 337 N LYS A 24 -13.511 -3.560 3.960 1.00 0.00 N ATOM 338 CA LYS A 24 -14.935 -3.476 3.658 1.00 0.00 C ATOM 339 C LYS A 24 -15.773 -3.836 4.880 1.00 0.00 C ATOM 340 O LYS A 24 -16.926 -3.423 4.999 1.00 0.00 O ATOM 341 CB LYS A 24 -15.286 -4.406 2.494 1.00 0.00 C ATOM 342 CG LYS A 24 -14.307 -4.326 1.335 1.00 0.00 C ATOM 343 CD LYS A 24 -15.028 -4.298 -0.002 1.00 0.00 C ATOM 344 CE LYS A 24 -15.370 -5.700 -0.481 1.00 0.00 C ATOM 345 NZ LYS A 24 -15.739 -5.719 -1.924 1.00 0.00 N ATOM 0 H LYS A 24 -13.096 -4.475 3.784 1.00 0.00 H new ATOM 0 HA LYS A 24 -15.161 -2.448 3.375 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -15.322 -5.433 2.858 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -16.285 -4.161 2.133 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -13.693 -3.431 1.437 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -13.632 -5.181 1.368 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -15.942 -3.710 0.089 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -14.402 -3.802 -0.744 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -14.517 -6.358 -0.316 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -16.196 -6.094 0.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -15.965 -6.692 -2.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -16.568 -5.111 -2.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -14.941 -5.367 -2.491 1.00 0.00 H new ATOM 359 N VAL A 25 -15.184 -4.608 5.789 1.00 0.00 N ATOM 360 CA VAL A 25 -15.876 -5.021 7.004 1.00 0.00 C ATOM 361 C VAL A 25 -15.846 -3.918 8.056 1.00 0.00 C ATOM 362 O VAL A 25 -16.881 -3.354 8.410 1.00 0.00 O ATOM 363 CB VAL A 25 -15.253 -6.298 7.598 1.00 0.00 C ATOM 364 CG1 VAL A 25 -16.107 -6.829 8.739 1.00 0.00 C ATOM 365 CG2 VAL A 25 -15.074 -7.355 6.518 1.00 0.00 C ATOM 0 H VAL A 25 -14.230 -4.959 5.707 1.00 0.00 H new ATOM 0 HA VAL A 25 -16.910 -5.225 6.725 1.00 0.00 H new ATOM 0 HB VAL A 25 -14.270 -6.049 7.998 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -15.651 -7.731 9.146 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -16.178 -6.074 9.522 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -17.105 -7.063 8.368 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -14.633 -8.251 6.955 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -16.044 -7.602 6.086 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -14.417 -6.970 5.738 1.00 0.00 H new ATOM 375 N CYS A 26 -14.651 -3.614 8.553 1.00 0.00 N ATOM 376 CA CYS A 26 -14.484 -2.578 9.564 1.00 0.00 C ATOM 377 C CYS A 26 -14.442 -1.194 8.924 1.00 0.00 C ATOM 378 O CYS A 26 -15.347 -0.382 9.114 1.00 0.00 O ATOM 379 CB CYS A 26 -13.204 -2.820 10.366 1.00 0.00 C ATOM 380 SG CYS A 26 -12.791 -1.482 11.530 1.00 0.00 S ATOM 0 H CYS A 26 -13.784 -4.071 8.271 1.00 0.00 H new ATOM 0 HA CYS A 26 -15.340 -2.622 10.237 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -13.307 -3.752 10.922 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -12.373 -2.953 9.673 1.00 0.00 H new ATOM 385 N GLY A 27 -13.384 -0.932 8.163 1.00 0.00 N ATOM 386 CA GLY A 27 -13.243 0.354 7.505 1.00 0.00 C ATOM 387 C GLY A 27 -11.893 0.993 7.764 1.00 0.00 C ATOM 388 O GLY A 27 -11.517 1.960 7.100 1.00 0.00 O ATOM 0 H GLY A 27 -12.622 -1.587 7.990 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -13.381 0.226 6.431 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -14.031 1.024 7.850 1.00 0.00 H new ATOM 392 N HIS A 28 -11.161 0.454 8.734 1.00 0.00 N ATOM 393 CA HIS A 28 -9.844 0.978 9.080 1.00 0.00 C ATOM 394 C HIS A 28 -8.930 1.001 7.858 1.00 0.00 C ATOM 395 O HIS A 28 -9.315 0.564 6.773 1.00 0.00 O ATOM 396 CB HIS A 28 -9.212 0.136 10.188 1.00 0.00 C ATOM 397 CG HIS A 28 -9.483 0.659 11.566 1.00 0.00 C ATOM 398 ND1 HIS A 28 -9.718 -0.161 12.649 1.00 0.00 N ATOM 399 CD2 HIS A 28 -9.553 1.927 12.033 1.00 0.00 C ATOM 400 CE1 HIS A 28 -9.923 0.580 13.723 1.00 0.00 C ATOM 401 NE2 HIS A 28 -9.828 1.851 13.377 1.00 0.00 N ATOM 0 H HIS A 28 -11.457 -0.345 9.294 1.00 0.00 H new ATOM 0 HA HIS A 28 -9.969 2.000 9.437 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -9.586 -0.885 10.116 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -8.134 0.092 10.030 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -9.418 2.830 11.457 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -10.133 0.209 14.716 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -9.940 2.647 14.005 1.00 0.00 H new ATOM 409 N THR A 29 -7.718 1.515 8.042 1.00 0.00 N ATOM 410 CA THR A 29 -6.750 1.597 6.955 1.00 0.00 C ATOM 411 C THR A 29 -5.378 1.106 7.403 1.00 0.00 C ATOM 412 O THR A 29 -4.926 1.416 8.505 1.00 0.00 O ATOM 413 CB THR A 29 -6.620 3.038 6.426 1.00 0.00 C ATOM 414 OG1 THR A 29 -7.677 3.849 6.951 1.00 0.00 O ATOM 415 CG2 THR A 29 -6.662 3.062 4.906 1.00 0.00 C ATOM 0 H THR A 29 -7.383 1.881 8.933 1.00 0.00 H new ATOM 0 HA THR A 29 -7.119 0.956 6.154 1.00 0.00 H new ATOM 0 HB THR A 29 -5.660 3.437 6.753 1.00 0.00 H new ATOM 0 HG1 THR A 29 -7.587 4.764 6.612 1.00 0.00 H new ATOM 0 HG21 THR A 29 -6.569 4.090 4.556 1.00 0.00 H new ATOM 0 HG22 THR A 29 -5.839 2.467 4.510 1.00 0.00 H new ATOM 0 HG23 THR A 29 -7.609 2.646 4.562 1.00 0.00 H new ATOM 423 N TYR A 30 -4.719 0.340 6.540 1.00 0.00 N ATOM 424 CA TYR A 30 -3.398 -0.195 6.848 1.00 0.00 C ATOM 425 C TYR A 30 -2.500 -0.172 5.615 1.00 0.00 C ATOM 426 O TYR A 30 -2.929 0.214 4.529 1.00 0.00 O ATOM 427 CB TYR A 30 -3.515 -1.624 7.381 1.00 0.00 C ATOM 428 CG TYR A 30 -4.708 -1.837 8.286 1.00 0.00 C ATOM 429 CD1 TYR A 30 -4.748 -1.280 9.558 1.00 0.00 C ATOM 430 CD2 TYR A 30 -5.795 -2.595 7.867 1.00 0.00 C ATOM 431 CE1 TYR A 30 -5.835 -1.473 10.388 1.00 0.00 C ATOM 432 CE2 TYR A 30 -6.887 -2.792 8.690 1.00 0.00 C ATOM 433 CZ TYR A 30 -6.902 -2.230 9.949 1.00 0.00 C ATOM 434 OH TYR A 30 -7.988 -2.423 10.773 1.00 0.00 O ATOM 0 H TYR A 30 -5.078 0.076 5.622 1.00 0.00 H new ATOM 0 HA TYR A 30 -2.948 0.436 7.615 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -3.581 -2.313 6.539 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -2.606 -1.875 7.927 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -3.915 -0.686 9.904 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -5.786 -3.037 6.882 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -5.850 -1.034 11.375 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -7.724 -3.383 8.349 1.00 0.00 H new ATOM 0 HH TYR A 30 -8.141 -3.384 10.892 1.00 0.00 H new ATOM 444 N GLU A 31 -1.250 -0.590 5.793 1.00 0.00 N ATOM 445 CA GLU A 31 -0.291 -0.617 4.695 1.00 0.00 C ATOM 446 C GLU A 31 -0.400 -1.921 3.910 1.00 0.00 C ATOM 447 O GLU A 31 -0.682 -2.976 4.476 1.00 0.00 O ATOM 448 CB GLU A 31 1.133 -0.448 5.229 1.00 0.00 C ATOM 449 CG GLU A 31 2.208 -0.698 4.184 1.00 0.00 C ATOM 450 CD GLU A 31 3.431 0.175 4.386 1.00 0.00 C ATOM 451 OE1 GLU A 31 4.018 0.129 5.487 1.00 0.00 O ATOM 452 OE2 GLU A 31 3.802 0.905 3.443 1.00 0.00 O ATOM 0 H GLU A 31 -0.879 -0.914 6.686 1.00 0.00 H new ATOM 0 HA GLU A 31 -0.521 0.211 4.024 1.00 0.00 H new ATOM 0 HB2 GLU A 31 1.247 0.562 5.621 1.00 0.00 H new ATOM 0 HB3 GLU A 31 1.283 -1.133 6.064 1.00 0.00 H new ATOM 0 HG2 GLU A 31 2.505 -1.746 4.217 1.00 0.00 H new ATOM 0 HG3 GLU A 31 1.795 -0.515 3.192 1.00 0.00 H new ATOM 459 N GLU A 32 -0.175 -1.838 2.602 1.00 0.00 N ATOM 460 CA GLU A 32 -0.250 -3.011 1.739 1.00 0.00 C ATOM 461 C GLU A 32 0.657 -4.125 2.255 1.00 0.00 C ATOM 462 O GLU A 32 0.182 -5.167 2.707 1.00 0.00 O ATOM 463 CB GLU A 32 0.141 -2.643 0.306 1.00 0.00 C ATOM 464 CG GLU A 32 -0.368 -3.626 -0.735 1.00 0.00 C ATOM 465 CD GLU A 32 -0.260 -3.086 -2.148 1.00 0.00 C ATOM 466 OE1 GLU A 32 -1.153 -2.316 -2.559 1.00 0.00 O ATOM 467 OE2 GLU A 32 0.717 -3.435 -2.843 1.00 0.00 O ATOM 0 H GLU A 32 0.060 -0.972 2.118 1.00 0.00 H new ATOM 0 HA GLU A 32 -1.279 -3.371 1.746 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -0.246 -1.650 0.076 1.00 0.00 H new ATOM 0 HB3 GLU A 32 1.227 -2.585 0.238 1.00 0.00 H new ATOM 0 HG2 GLU A 32 0.198 -4.554 -0.660 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -1.409 -3.869 -0.521 1.00 0.00 H new ATOM 474 N ASP A 33 1.963 -3.897 2.183 1.00 0.00 N ATOM 475 CA ASP A 33 2.937 -4.880 2.642 1.00 0.00 C ATOM 476 C ASP A 33 2.604 -5.357 4.052 1.00 0.00 C ATOM 477 O ASP A 33 2.893 -6.496 4.417 1.00 0.00 O ATOM 478 CB ASP A 33 4.347 -4.286 2.611 1.00 0.00 C ATOM 479 CG ASP A 33 4.856 -4.078 1.198 1.00 0.00 C ATOM 480 OD1 ASP A 33 4.854 -5.053 0.418 1.00 0.00 O ATOM 481 OD2 ASP A 33 5.257 -2.941 0.873 1.00 0.00 O ATOM 0 H ASP A 33 2.372 -3.040 1.811 1.00 0.00 H new ATOM 0 HA ASP A 33 2.897 -5.736 1.969 1.00 0.00 H new ATOM 0 HB2 ASP A 33 4.348 -3.332 3.139 1.00 0.00 H new ATOM 0 HB3 ASP A 33 5.029 -4.947 3.146 1.00 0.00 H new ATOM 486 N ALA A 34 1.995 -4.477 4.841 1.00 0.00 N ATOM 487 CA ALA A 34 1.622 -4.809 6.210 1.00 0.00 C ATOM 488 C ALA A 34 0.494 -5.835 6.239 1.00 0.00 C ATOM 489 O ALA A 34 0.664 -6.944 6.746 1.00 0.00 O ATOM 490 CB ALA A 34 1.214 -3.552 6.965 1.00 0.00 C ATOM 0 H ALA A 34 1.750 -3.529 4.555 1.00 0.00 H new ATOM 0 HA ALA A 34 2.490 -5.249 6.700 1.00 0.00 H new ATOM 0 HB1 ALA A 34 0.938 -3.814 7.986 1.00 0.00 H new ATOM 0 HB2 ALA A 34 2.049 -2.852 6.984 1.00 0.00 H new ATOM 0 HB3 ALA A 34 0.363 -3.088 6.467 1.00 0.00 H new ATOM 496 N ILE A 35 -0.656 -5.458 5.692 1.00 0.00 N ATOM 497 CA ILE A 35 -1.812 -6.346 5.654 1.00 0.00 C ATOM 498 C ILE A 35 -1.522 -7.590 4.822 1.00 0.00 C ATOM 499 O ILE A 35 -2.191 -8.614 4.962 1.00 0.00 O ATOM 500 CB ILE A 35 -3.051 -5.634 5.080 1.00 0.00 C ATOM 501 CG1 ILE A 35 -4.300 -6.494 5.283 1.00 0.00 C ATOM 502 CG2 ILE A 35 -2.848 -5.326 3.604 1.00 0.00 C ATOM 503 CD1 ILE A 35 -4.621 -6.759 6.737 1.00 0.00 C ATOM 0 H ILE A 35 -0.813 -4.543 5.269 1.00 0.00 H new ATOM 0 HA ILE A 35 -2.018 -6.640 6.683 1.00 0.00 H new ATOM 0 HB ILE A 35 -3.190 -4.693 5.612 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -5.152 -6.000 4.816 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -4.163 -7.446 4.770 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -3.732 -4.823 3.212 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -1.979 -4.679 3.483 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.687 -6.255 3.057 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -5.518 -7.374 6.805 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -3.786 -7.281 7.205 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -4.790 -5.813 7.251 1.00 0.00 H new ATOM 515 N VAL A 36 -0.519 -7.495 3.955 1.00 0.00 N ATOM 516 CA VAL A 36 -0.138 -8.613 3.101 1.00 0.00 C ATOM 517 C VAL A 36 0.819 -9.555 3.823 1.00 0.00 C ATOM 518 O VAL A 36 0.725 -10.775 3.689 1.00 0.00 O ATOM 519 CB VAL A 36 0.525 -8.125 1.799 1.00 0.00 C ATOM 520 CG1 VAL A 36 1.100 -9.298 1.020 1.00 0.00 C ATOM 521 CG2 VAL A 36 -0.473 -7.351 0.951 1.00 0.00 C ATOM 0 H VAL A 36 0.044 -6.655 3.826 1.00 0.00 H new ATOM 0 HA VAL A 36 -1.055 -9.149 2.855 1.00 0.00 H new ATOM 0 HB VAL A 36 1.345 -7.455 2.059 1.00 0.00 H new ATOM 0 HG11 VAL A 36 1.564 -8.934 0.104 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.848 -9.807 1.628 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.301 -9.995 0.769 1.00 0.00 H new ATOM 0 HG21 VAL A 36 0.012 -7.014 0.035 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -1.314 -7.997 0.699 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.833 -6.487 1.510 1.00 0.00 H new ATOM 531 N ARG A 37 1.740 -8.980 4.589 1.00 0.00 N ATOM 532 CA ARG A 37 2.716 -9.768 5.333 1.00 0.00 C ATOM 533 C ARG A 37 2.105 -10.318 6.618 1.00 0.00 C ATOM 534 O ARG A 37 2.551 -11.339 7.142 1.00 0.00 O ATOM 535 CB ARG A 37 3.945 -8.919 5.663 1.00 0.00 C ATOM 536 CG ARG A 37 3.728 -7.959 6.821 1.00 0.00 C ATOM 537 CD ARG A 37 4.980 -7.145 7.112 1.00 0.00 C ATOM 538 NE ARG A 37 5.041 -5.928 6.306 1.00 0.00 N ATOM 539 CZ ARG A 37 6.151 -5.222 6.126 1.00 0.00 C ATOM 540 NH1 ARG A 37 7.287 -5.609 6.691 1.00 0.00 N ATOM 541 NH2 ARG A 37 6.128 -4.125 5.379 1.00 0.00 N ATOM 0 H ARG A 37 1.831 -7.971 4.711 1.00 0.00 H new ATOM 0 HA ARG A 37 3.020 -10.607 4.707 1.00 0.00 H new ATOM 0 HB2 ARG A 37 4.779 -9.579 5.901 1.00 0.00 H new ATOM 0 HB3 ARG A 37 4.231 -8.350 4.779 1.00 0.00 H new ATOM 0 HG2 ARG A 37 2.902 -7.287 6.588 1.00 0.00 H new ATOM 0 HG3 ARG A 37 3.442 -8.519 7.711 1.00 0.00 H new ATOM 0 HD2 ARG A 37 5.003 -6.881 8.169 1.00 0.00 H new ATOM 0 HD3 ARG A 37 5.862 -7.754 6.916 1.00 0.00 H new ATOM 0 HE ARG A 37 4.185 -5.603 5.857 1.00 0.00 H new ATOM 0 HH11 ARG A 37 7.310 -6.451 7.266 1.00 0.00 H new ATOM 0 HH12 ARG A 37 8.138 -5.064 6.551 1.00 0.00 H new ATOM 0 HH21 ARG A 37 5.257 -3.823 4.942 1.00 0.00 H new ATOM 0 HH22 ARG A 37 6.981 -3.584 5.242 1.00 0.00 H new ATOM 555 N MET A 38 1.082 -9.634 7.121 1.00 0.00 N ATOM 556 CA MET A 38 0.409 -10.055 8.344 1.00 0.00 C ATOM 557 C MET A 38 -0.471 -11.275 8.089 1.00 0.00 C ATOM 558 O MET A 38 -0.274 -12.330 8.692 1.00 0.00 O ATOM 559 CB MET A 38 -0.436 -8.910 8.907 1.00 0.00 C ATOM 560 CG MET A 38 -1.277 -9.310 10.108 1.00 0.00 C ATOM 561 SD MET A 38 -3.044 -9.096 9.820 1.00 0.00 S ATOM 562 CE MET A 38 -3.282 -7.421 10.409 1.00 0.00 C ATOM 0 H MET A 38 0.701 -8.786 6.700 1.00 0.00 H new ATOM 0 HA MET A 38 1.172 -10.326 9.074 1.00 0.00 H new ATOM 0 HB2 MET A 38 0.222 -8.089 9.192 1.00 0.00 H new ATOM 0 HB3 MET A 38 -1.093 -8.534 8.123 1.00 0.00 H new ATOM 0 HG2 MET A 38 -1.077 -10.352 10.356 1.00 0.00 H new ATOM 0 HG3 MET A 38 -0.978 -8.714 10.970 1.00 0.00 H new ATOM 0 HE1 MET A 38 -4.014 -7.420 11.217 1.00 0.00 H new ATOM 0 HE2 MET A 38 -2.335 -7.027 10.777 1.00 0.00 H new ATOM 0 HE3 MET A 38 -3.642 -6.796 9.592 1.00 0.00 H new ATOM 572 N ILE A 39 -1.441 -11.122 7.194 1.00 0.00 N ATOM 573 CA ILE A 39 -2.349 -12.211 6.859 1.00 0.00 C ATOM 574 C ILE A 39 -1.580 -13.475 6.489 1.00 0.00 C ATOM 575 O ILE A 39 -2.045 -14.588 6.731 1.00 0.00 O ATOM 576 CB ILE A 39 -3.280 -11.830 5.693 1.00 0.00 C ATOM 577 CG1 ILE A 39 -4.093 -10.583 6.047 1.00 0.00 C ATOM 578 CG2 ILE A 39 -4.202 -12.990 5.350 1.00 0.00 C ATOM 579 CD1 ILE A 39 -4.800 -9.965 4.860 1.00 0.00 C ATOM 0 H ILE A 39 -1.618 -10.254 6.688 1.00 0.00 H new ATOM 0 HA ILE A 39 -2.952 -12.403 7.747 1.00 0.00 H new ATOM 0 HB ILE A 39 -2.669 -11.606 4.818 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -4.832 -10.844 6.804 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -3.430 -9.841 6.491 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.854 -12.705 4.524 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -3.606 -13.855 5.060 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -4.808 -13.242 6.220 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -5.356 -9.086 5.185 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -4.065 -9.672 4.110 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -5.489 -10.691 4.428 1.00 0.00 H new ATOM 591 N GLU A 40 -0.401 -13.293 5.902 1.00 0.00 N ATOM 592 CA GLU A 40 0.433 -14.419 5.500 1.00 0.00 C ATOM 593 C GLU A 40 1.168 -15.008 6.700 1.00 0.00 C ATOM 594 O GLU A 40 1.256 -16.226 6.852 1.00 0.00 O ATOM 595 CB GLU A 40 1.440 -13.982 4.435 1.00 0.00 C ATOM 596 CG GLU A 40 0.851 -13.900 3.037 1.00 0.00 C ATOM 597 CD GLU A 40 1.267 -15.066 2.160 1.00 0.00 C ATOM 598 OE1 GLU A 40 2.437 -15.493 2.255 1.00 0.00 O ATOM 599 OE2 GLU A 40 0.422 -15.551 1.379 1.00 0.00 O ATOM 0 H GLU A 40 -0.003 -12.377 5.695 1.00 0.00 H new ATOM 0 HA GLU A 40 -0.217 -15.188 5.081 1.00 0.00 H new ATOM 0 HB2 GLU A 40 1.844 -13.007 4.708 1.00 0.00 H new ATOM 0 HB3 GLU A 40 2.275 -14.682 4.428 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -0.236 -13.872 3.106 1.00 0.00 H new ATOM 0 HG3 GLU A 40 1.165 -12.967 2.568 1.00 0.00 H new ATOM 606 N SER A 41 1.696 -14.133 7.551 1.00 0.00 N ATOM 607 CA SER A 41 2.428 -14.565 8.736 1.00 0.00 C ATOM 608 C SER A 41 1.500 -15.270 9.721 1.00 0.00 C ATOM 609 O SER A 41 1.892 -16.233 10.380 1.00 0.00 O ATOM 610 CB SER A 41 3.095 -13.367 9.414 1.00 0.00 C ATOM 611 OG SER A 41 3.621 -13.725 10.680 1.00 0.00 O ATOM 0 H SER A 41 1.630 -13.121 7.442 1.00 0.00 H new ATOM 0 HA SER A 41 3.197 -15.270 8.421 1.00 0.00 H new ATOM 0 HB2 SER A 41 3.895 -12.985 8.779 1.00 0.00 H new ATOM 0 HB3 SER A 41 2.370 -12.562 9.533 1.00 0.00 H new ATOM 0 HG SER A 41 4.043 -12.942 11.092 1.00 0.00 H new ATOM 617 N ARG A 42 0.267 -14.782 9.815 1.00 0.00 N ATOM 618 CA ARG A 42 -0.717 -15.362 10.720 1.00 0.00 C ATOM 619 C ARG A 42 -1.089 -16.777 10.284 1.00 0.00 C ATOM 620 O ARG A 42 -1.034 -17.715 11.079 1.00 0.00 O ATOM 621 CB ARG A 42 -1.971 -14.488 10.773 1.00 0.00 C ATOM 622 CG ARG A 42 -1.698 -13.057 11.208 1.00 0.00 C ATOM 623 CD ARG A 42 -1.815 -12.902 12.716 1.00 0.00 C ATOM 624 NE ARG A 42 -0.669 -12.196 13.284 1.00 0.00 N ATOM 625 CZ ARG A 42 -0.409 -12.144 14.586 1.00 0.00 C ATOM 626 NH1 ARG A 42 -1.208 -12.755 15.449 1.00 0.00 N ATOM 627 NH2 ARG A 42 0.653 -11.481 15.025 1.00 0.00 N ATOM 0 H ARG A 42 -0.074 -13.986 9.275 1.00 0.00 H new ATOM 0 HA ARG A 42 -0.274 -15.411 11.715 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -2.438 -14.477 9.788 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -2.688 -14.937 11.460 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -0.699 -12.762 10.887 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -2.402 -12.385 10.716 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -2.730 -12.360 12.955 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -1.899 -13.886 13.176 1.00 0.00 H new ATOM 0 HE ARG A 42 -0.034 -11.717 12.646 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -2.024 -13.267 15.114 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -1.006 -12.714 16.448 1.00 0.00 H new ATOM 0 HH21 ARG A 42 1.270 -11.011 14.363 1.00 0.00 H new ATOM 0 HH22 ARG A 42 0.852 -11.441 16.025 1.00 0.00 H new ATOM 641 N GLN A 43 -1.466 -16.920 9.018 1.00 0.00 N ATOM 642 CA GLN A 43 -1.847 -18.220 8.478 1.00 0.00 C ATOM 643 C GLN A 43 -0.773 -19.264 8.761 1.00 0.00 C ATOM 644 O GLN A 43 -1.077 -20.420 9.057 1.00 0.00 O ATOM 645 CB GLN A 43 -2.091 -18.118 6.971 1.00 0.00 C ATOM 646 CG GLN A 43 -3.525 -18.416 6.565 1.00 0.00 C ATOM 647 CD GLN A 43 -3.626 -19.570 5.586 1.00 0.00 C ATOM 648 OE1 GLN A 43 -2.922 -20.572 5.715 1.00 0.00 O ATOM 649 NE2 GLN A 43 -4.505 -19.434 4.600 1.00 0.00 N ATOM 0 H GLN A 43 -1.516 -16.153 8.347 1.00 0.00 H new ATOM 0 HA GLN A 43 -2.769 -18.532 8.968 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -1.829 -17.114 6.636 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -1.425 -18.810 6.456 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -4.110 -18.647 7.455 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -3.965 -17.525 6.117 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -5.068 -18.586 4.532 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -4.617 -20.178 3.911 1.00 0.00 H new ATOM 658 N LYS A 44 0.487 -18.850 8.670 1.00 0.00 N ATOM 659 CA LYS A 44 1.608 -19.748 8.917 1.00 0.00 C ATOM 660 C LYS A 44 1.552 -20.311 10.334 1.00 0.00 C ATOM 661 O LYS A 44 1.943 -21.454 10.573 1.00 0.00 O ATOM 662 CB LYS A 44 2.933 -19.014 8.701 1.00 0.00 C ATOM 663 CG LYS A 44 3.224 -18.700 7.243 1.00 0.00 C ATOM 664 CD LYS A 44 4.459 -19.435 6.750 1.00 0.00 C ATOM 665 CE LYS A 44 5.102 -18.716 5.573 1.00 0.00 C ATOM 666 NZ LYS A 44 6.565 -18.980 5.495 1.00 0.00 N ATOM 0 H LYS A 44 0.757 -17.897 8.427 1.00 0.00 H new ATOM 0 HA LYS A 44 1.539 -20.577 8.212 1.00 0.00 H new ATOM 0 HB2 LYS A 44 2.920 -18.084 9.269 1.00 0.00 H new ATOM 0 HB3 LYS A 44 3.745 -19.621 9.102 1.00 0.00 H new ATOM 0 HG2 LYS A 44 2.366 -18.978 6.632 1.00 0.00 H new ATOM 0 HG3 LYS A 44 3.366 -17.626 7.123 1.00 0.00 H new ATOM 0 HD2 LYS A 44 5.180 -19.523 7.562 1.00 0.00 H new ATOM 0 HD3 LYS A 44 4.187 -20.448 6.454 1.00 0.00 H new ATOM 0 HE2 LYS A 44 4.625 -19.037 4.647 1.00 0.00 H new ATOM 0 HE3 LYS A 44 4.931 -17.643 5.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 6.966 -18.473 4.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 7.024 -18.651 6.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 6.728 -20.001 5.382 1.00 0.00 H new ATOM 680 N ARG A 45 1.062 -19.502 11.268 1.00 0.00 N ATOM 681 CA ARG A 45 0.955 -19.921 12.660 1.00 0.00 C ATOM 682 C ARG A 45 -0.479 -20.318 13.000 1.00 0.00 C ATOM 683 O ARG A 45 -0.900 -20.240 14.154 1.00 0.00 O ATOM 684 CB ARG A 45 1.418 -18.797 13.590 1.00 0.00 C ATOM 685 CG ARG A 45 2.917 -18.549 13.545 1.00 0.00 C ATOM 686 CD ARG A 45 3.529 -18.581 14.936 1.00 0.00 C ATOM 687 NE ARG A 45 4.978 -18.405 14.901 1.00 0.00 N ATOM 688 CZ ARG A 45 5.743 -18.384 15.987 1.00 0.00 C ATOM 689 NH1 ARG A 45 5.198 -18.527 17.188 1.00 0.00 N ATOM 690 NH2 ARG A 45 7.054 -18.219 15.874 1.00 0.00 N ATOM 0 H ARG A 45 0.733 -18.554 11.086 1.00 0.00 H new ATOM 0 HA ARG A 45 1.598 -20.790 12.802 1.00 0.00 H new ATOM 0 HB2 ARG A 45 0.898 -17.877 13.322 1.00 0.00 H new ATOM 0 HB3 ARG A 45 1.129 -19.040 14.612 1.00 0.00 H new ATOM 0 HG2 ARG A 45 3.393 -19.304 12.919 1.00 0.00 H new ATOM 0 HG3 ARG A 45 3.113 -17.582 13.082 1.00 0.00 H new ATOM 0 HD2 ARG A 45 3.083 -17.796 15.546 1.00 0.00 H new ATOM 0 HD3 ARG A 45 3.291 -19.531 15.415 1.00 0.00 H new ATOM 0 HE ARG A 45 5.428 -18.292 13.993 1.00 0.00 H new ATOM 0 HH11 ARG A 45 4.190 -18.653 17.279 1.00 0.00 H new ATOM 0 HH12 ARG A 45 5.787 -18.511 18.021 1.00 0.00 H new ATOM 0 HH21 ARG A 45 7.476 -18.108 14.952 1.00 0.00 H new ATOM 0 HH22 ARG A 45 7.640 -18.203 16.709 1.00 0.00 H new ATOM 704 N LYS A 46 -1.225 -20.743 11.986 1.00 0.00 N ATOM 705 CA LYS A 46 -2.612 -21.153 12.175 1.00 0.00 C ATOM 706 C LYS A 46 -3.415 -20.053 12.863 1.00 0.00 C ATOM 707 O LYS A 46 -4.325 -20.331 13.645 1.00 0.00 O ATOM 708 CB LYS A 46 -2.676 -22.439 13.002 1.00 0.00 C ATOM 709 CG LYS A 46 -1.858 -23.578 12.419 1.00 0.00 C ATOM 710 CD LYS A 46 -2.202 -24.905 13.075 1.00 0.00 C ATOM 711 CE LYS A 46 -1.393 -26.047 12.480 1.00 0.00 C ATOM 712 NZ LYS A 46 -1.670 -27.339 13.167 1.00 0.00 N ATOM 0 H LYS A 46 -0.892 -20.813 11.024 1.00 0.00 H new ATOM 0 HA LYS A 46 -3.048 -21.337 11.193 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.324 -22.230 14.012 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -3.716 -22.755 13.086 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -2.038 -23.644 11.346 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -0.796 -23.370 12.552 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -2.012 -24.843 14.146 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -3.266 -25.108 12.951 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -1.625 -26.143 11.419 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -0.330 -25.817 12.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -1.100 -28.092 12.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -1.425 -27.256 14.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -2.679 -27.572 13.074 1.00 0.00 H new ATOM 726 N LYS A 47 -3.074 -18.804 12.566 1.00 0.00 N ATOM 727 CA LYS A 47 -3.765 -17.662 13.153 1.00 0.00 C ATOM 728 C LYS A 47 -4.652 -16.973 12.121 1.00 0.00 C ATOM 729 O LYS A 47 -4.748 -17.415 10.976 1.00 0.00 O ATOM 730 CB LYS A 47 -2.752 -16.663 13.719 1.00 0.00 C ATOM 731 CG LYS A 47 -2.706 -16.637 15.237 1.00 0.00 C ATOM 732 CD LYS A 47 -1.527 -15.824 15.745 1.00 0.00 C ATOM 733 CE LYS A 47 -0.476 -16.712 16.394 1.00 0.00 C ATOM 734 NZ LYS A 47 0.853 -16.044 16.456 1.00 0.00 N ATOM 0 H LYS A 47 -2.323 -18.557 11.922 1.00 0.00 H new ATOM 0 HA LYS A 47 -4.397 -18.028 13.962 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.761 -16.908 13.338 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.996 -15.665 13.354 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -3.634 -16.215 15.623 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -2.637 -17.656 15.617 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -1.079 -15.274 14.917 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -1.877 -15.085 16.466 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -0.797 -16.977 17.402 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -0.389 -17.642 15.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 1.541 -16.681 16.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 1.171 -15.814 15.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 0.776 -15.170 17.014 1.00 0.00 H new ATOM 748 N LYS A 48 -5.299 -15.889 12.534 1.00 0.00 N ATOM 749 CA LYS A 48 -6.177 -15.137 11.645 1.00 0.00 C ATOM 750 C LYS A 48 -5.816 -13.655 11.649 1.00 0.00 C ATOM 751 O LYS A 48 -5.079 -13.189 12.518 1.00 0.00 O ATOM 752 CB LYS A 48 -7.638 -15.317 12.064 1.00 0.00 C ATOM 753 CG LYS A 48 -8.014 -14.534 13.310 1.00 0.00 C ATOM 754 CD LYS A 48 -8.877 -15.360 14.249 1.00 0.00 C ATOM 755 CE LYS A 48 -8.043 -16.349 15.048 1.00 0.00 C ATOM 756 NZ LYS A 48 -8.886 -17.397 15.686 1.00 0.00 N ATOM 0 H LYS A 48 -5.232 -15.511 13.479 1.00 0.00 H new ATOM 0 HA LYS A 48 -6.045 -15.523 10.634 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.284 -15.008 11.242 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -7.829 -16.376 12.239 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -7.109 -14.218 13.829 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -8.550 -13.629 13.024 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -9.411 -14.698 14.931 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -9.630 -15.899 13.674 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -7.312 -16.821 14.392 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -7.484 -15.815 15.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -8.280 -18.051 16.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -9.567 -16.949 16.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -9.400 -17.924 14.951 1.00 0.00 H new ATOM 770 N ALA A 49 -6.340 -12.920 10.673 1.00 0.00 N ATOM 771 CA ALA A 49 -6.075 -11.491 10.567 1.00 0.00 C ATOM 772 C ALA A 49 -7.135 -10.679 11.305 1.00 0.00 C ATOM 773 O ALA A 49 -8.314 -10.714 10.951 1.00 0.00 O ATOM 774 CB ALA A 49 -6.010 -11.073 9.106 1.00 0.00 C ATOM 0 H ALA A 49 -6.950 -13.291 9.945 1.00 0.00 H new ATOM 0 HA ALA A 49 -5.111 -11.290 11.034 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -5.811 -10.003 9.042 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -5.211 -11.621 8.606 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -6.961 -11.295 8.621 1.00 0.00 H new ATOM 780 N TYR A 50 -6.708 -9.951 12.330 1.00 0.00 N ATOM 781 CA TYR A 50 -7.622 -9.134 13.120 1.00 0.00 C ATOM 782 C TYR A 50 -7.222 -7.662 13.065 1.00 0.00 C ATOM 783 O TYR A 50 -6.066 -7.330 12.799 1.00 0.00 O ATOM 784 CB TYR A 50 -7.645 -9.614 14.571 1.00 0.00 C ATOM 785 CG TYR A 50 -6.271 -9.881 15.143 1.00 0.00 C ATOM 786 CD1 TYR A 50 -5.675 -11.129 15.016 1.00 0.00 C ATOM 787 CD2 TYR A 50 -5.569 -8.885 15.811 1.00 0.00 C ATOM 788 CE1 TYR A 50 -4.419 -11.378 15.537 1.00 0.00 C ATOM 789 CE2 TYR A 50 -4.313 -9.124 16.334 1.00 0.00 C ATOM 790 CZ TYR A 50 -3.743 -10.372 16.195 1.00 0.00 C ATOM 791 OH TYR A 50 -2.492 -10.614 16.716 1.00 0.00 O ATOM 0 H TYR A 50 -5.735 -9.910 12.634 1.00 0.00 H new ATOM 0 HA TYR A 50 -8.621 -9.237 12.695 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -8.145 -8.865 15.185 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -8.239 -10.526 14.634 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -6.202 -11.919 14.501 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -6.013 -7.907 15.923 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -3.970 -12.354 15.429 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -3.780 -8.338 16.849 1.00 0.00 H new ATOM 0 HH TYR A 50 -2.154 -9.801 17.146 1.00 0.00 H new ATOM 801 N CYS A 51 -8.186 -6.784 13.320 1.00 0.00 N ATOM 802 CA CYS A 51 -7.937 -5.348 13.301 1.00 0.00 C ATOM 803 C CYS A 51 -6.727 -4.994 14.162 1.00 0.00 C ATOM 804 O CYS A 51 -6.795 -4.966 15.391 1.00 0.00 O ATOM 805 CB CYS A 51 -9.169 -4.589 13.798 1.00 0.00 C ATOM 806 SG CYS A 51 -10.161 -3.832 12.470 1.00 0.00 S ATOM 0 H CYS A 51 -9.147 -7.042 13.542 1.00 0.00 H new ATOM 0 HA CYS A 51 -7.728 -5.055 12.272 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -9.801 -5.274 14.364 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -8.848 -3.808 14.487 1.00 0.00 H new ATOM 811 N PRO A 52 -5.593 -4.716 13.503 1.00 0.00 N ATOM 812 CA PRO A 52 -4.347 -4.359 14.187 1.00 0.00 C ATOM 813 C PRO A 52 -4.419 -2.983 14.841 1.00 0.00 C ATOM 814 O PRO A 52 -3.586 -2.641 15.680 1.00 0.00 O ATOM 815 CB PRO A 52 -3.310 -4.362 13.061 1.00 0.00 C ATOM 816 CG PRO A 52 -4.094 -4.093 11.823 1.00 0.00 C ATOM 817 CD PRO A 52 -5.439 -4.730 12.038 1.00 0.00 C ATOM 0 HA PRO A 52 -4.116 -5.048 14.999 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -2.549 -3.598 13.222 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -2.793 -5.320 13.002 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -4.193 -3.022 11.649 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -3.598 -4.514 10.948 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -6.233 -4.169 11.545 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -5.471 -5.744 11.640 1.00 0.00 H new ATOM 825 N GLN A 53 -5.418 -2.199 14.450 1.00 0.00 N ATOM 826 CA GLN A 53 -5.598 -0.860 14.999 1.00 0.00 C ATOM 827 C GLN A 53 -5.905 -0.920 16.492 1.00 0.00 C ATOM 828 O GLN A 53 -7.016 -1.268 16.893 1.00 0.00 O ATOM 829 CB GLN A 53 -6.723 -0.131 14.263 1.00 0.00 C ATOM 830 CG GLN A 53 -6.470 1.357 14.085 1.00 0.00 C ATOM 831 CD GLN A 53 -5.269 1.643 13.205 1.00 0.00 C ATOM 832 OE1 GLN A 53 -4.996 0.914 12.251 1.00 0.00 O ATOM 833 NE2 GLN A 53 -4.544 2.710 13.521 1.00 0.00 N ATOM 0 H GLN A 53 -6.115 -2.467 13.755 1.00 0.00 H new ATOM 0 HA GLN A 53 -4.667 -0.310 14.861 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -6.860 -0.587 13.283 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -7.654 -0.269 14.812 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -7.354 1.823 13.649 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -6.317 1.815 15.062 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -4.807 3.287 14.320 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -3.725 2.953 12.964 1.00 0.00 H new ATOM 842 N ILE A 54 -4.914 -0.579 17.309 1.00 0.00 N ATOM 843 CA ILE A 54 -5.080 -0.594 18.757 1.00 0.00 C ATOM 844 C ILE A 54 -6.319 0.189 19.176 1.00 0.00 C ATOM 845 O ILE A 54 -6.325 1.419 19.155 1.00 0.00 O ATOM 846 CB ILE A 54 -3.848 -0.006 19.470 1.00 0.00 C ATOM 847 CG1 ILE A 54 -2.590 -0.792 19.095 1.00 0.00 C ATOM 848 CG2 ILE A 54 -4.055 -0.014 20.977 1.00 0.00 C ATOM 849 CD1 ILE A 54 -1.309 -0.146 19.574 1.00 0.00 C ATOM 0 H ILE A 54 -3.988 -0.289 16.993 1.00 0.00 H new ATOM 0 HA ILE A 54 -5.196 -1.637 19.051 1.00 0.00 H new ATOM 0 HB ILE A 54 -3.718 1.027 19.146 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -2.660 -1.796 19.514 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -2.549 -0.901 18.011 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -3.176 0.404 21.467 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -4.930 0.586 21.227 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -4.207 -1.038 21.318 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -0.458 -0.757 19.273 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -1.216 0.847 19.134 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -1.328 -0.061 20.661 1.00 0.00 H new ATOM 861 N GLY A 55 -7.368 -0.533 19.560 1.00 0.00 N ATOM 862 CA GLY A 55 -8.598 0.111 19.981 1.00 0.00 C ATOM 863 C GLY A 55 -9.829 -0.548 19.392 1.00 0.00 C ATOM 864 O GLY A 55 -10.932 -0.406 19.921 1.00 0.00 O ATOM 0 H GLY A 55 -7.387 -1.552 19.587 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -8.663 0.088 21.069 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -8.575 1.160 19.685 1.00 0.00 H new ATOM 868 N CYS A 56 -9.642 -1.271 18.292 1.00 0.00 N ATOM 869 CA CYS A 56 -10.746 -1.953 17.628 1.00 0.00 C ATOM 870 C CYS A 56 -11.007 -3.314 18.267 1.00 0.00 C ATOM 871 O CYS A 56 -10.090 -3.959 18.776 1.00 0.00 O ATOM 872 CB CYS A 56 -10.444 -2.126 16.138 1.00 0.00 C ATOM 873 SG CYS A 56 -11.898 -1.933 15.058 1.00 0.00 S ATOM 0 H CYS A 56 -8.736 -1.399 17.842 1.00 0.00 H new ATOM 0 HA CYS A 56 -11.640 -1.340 17.742 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -9.688 -1.398 15.845 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -10.014 -3.115 15.978 1.00 0.00 H new ATOM 878 N SER A 57 -12.264 -3.745 18.235 1.00 0.00 N ATOM 879 CA SER A 57 -12.647 -5.027 18.814 1.00 0.00 C ATOM 880 C SER A 57 -12.769 -6.097 17.732 1.00 0.00 C ATOM 881 O SER A 57 -12.622 -7.289 18.003 1.00 0.00 O ATOM 882 CB SER A 57 -13.972 -4.895 19.568 1.00 0.00 C ATOM 883 OG SER A 57 -14.950 -4.249 18.771 1.00 0.00 O ATOM 0 H SER A 57 -13.034 -3.225 17.814 1.00 0.00 H new ATOM 0 HA SER A 57 -11.868 -5.329 19.514 1.00 0.00 H new ATOM 0 HB2 SER A 57 -14.329 -5.883 19.858 1.00 0.00 H new ATOM 0 HB3 SER A 57 -13.816 -4.330 20.487 1.00 0.00 H new ATOM 0 HG SER A 57 -15.788 -4.178 19.275 1.00 0.00 H new ATOM 889 N HIS A 58 -13.038 -5.661 16.506 1.00 0.00 N ATOM 890 CA HIS A 58 -13.179 -6.579 15.382 1.00 0.00 C ATOM 891 C HIS A 58 -11.976 -7.513 15.289 1.00 0.00 C ATOM 892 O HIS A 58 -10.880 -7.178 15.739 1.00 0.00 O ATOM 893 CB HIS A 58 -13.337 -5.800 14.076 1.00 0.00 C ATOM 894 CG HIS A 58 -13.878 -6.625 12.948 1.00 0.00 C ATOM 895 ND1 HIS A 58 -15.090 -7.279 13.007 1.00 0.00 N ATOM 896 CD2 HIS A 58 -13.364 -6.898 11.726 1.00 0.00 C ATOM 897 CE1 HIS A 58 -15.298 -7.920 11.871 1.00 0.00 C ATOM 898 NE2 HIS A 58 -14.265 -7.705 11.076 1.00 0.00 N ATOM 0 H HIS A 58 -13.163 -4.678 16.266 1.00 0.00 H new ATOM 0 HA HIS A 58 -14.072 -7.181 15.547 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -14.001 -4.952 14.246 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -12.368 -5.393 13.786 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -12.421 -6.546 11.335 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -16.165 -8.518 11.633 1.00 0.00 H new ATOM 0 HE2 HIS A 58 -14.155 -8.078 10.133 1.00 0.00 H new ATOM 906 N THR A 59 -12.188 -8.687 14.703 1.00 0.00 N ATOM 907 CA THR A 59 -11.122 -9.670 14.552 1.00 0.00 C ATOM 908 C THR A 59 -11.374 -10.575 13.352 1.00 0.00 C ATOM 909 O THR A 59 -11.100 -11.774 13.398 1.00 0.00 O ATOM 910 CB THR A 59 -10.978 -10.540 15.815 1.00 0.00 C ATOM 911 OG1 THR A 59 -12.265 -11.004 16.240 1.00 0.00 O ATOM 912 CG2 THR A 59 -10.319 -9.756 16.940 1.00 0.00 C ATOM 0 H THR A 59 -13.089 -8.981 14.325 1.00 0.00 H new ATOM 0 HA THR A 59 -10.198 -9.113 14.395 1.00 0.00 H new ATOM 0 HB THR A 59 -10.347 -11.394 15.571 1.00 0.00 H new ATOM 0 HG1 THR A 59 -12.165 -11.558 17.042 1.00 0.00 H new ATOM 0 HG21 THR A 59 -10.228 -10.391 17.821 1.00 0.00 H new ATOM 0 HG22 THR A 59 -9.328 -9.430 16.624 1.00 0.00 H new ATOM 0 HG23 THR A 59 -10.928 -8.885 17.182 1.00 0.00 H new ATOM 920 N ASP A 60 -11.896 -9.993 12.277 1.00 0.00 N ATOM 921 CA ASP A 60 -12.183 -10.747 11.063 1.00 0.00 C ATOM 922 C ASP A 60 -11.780 -9.954 9.823 1.00 0.00 C ATOM 923 O ASP A 60 -12.510 -9.069 9.376 1.00 0.00 O ATOM 924 CB ASP A 60 -13.669 -11.101 10.996 1.00 0.00 C ATOM 925 CG ASP A 60 -13.911 -12.596 11.063 1.00 0.00 C ATOM 926 OD1 ASP A 60 -13.291 -13.335 10.269 1.00 0.00 O ATOM 927 OD2 ASP A 60 -14.720 -13.028 11.910 1.00 0.00 O ATOM 0 H ASP A 60 -12.129 -9.001 12.222 1.00 0.00 H new ATOM 0 HA ASP A 60 -11.599 -11.667 11.090 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -14.193 -10.614 11.818 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -14.092 -10.708 10.071 1.00 0.00 H new ATOM 932 N ILE A 61 -10.614 -10.277 9.274 1.00 0.00 N ATOM 933 CA ILE A 61 -10.115 -9.595 8.086 1.00 0.00 C ATOM 934 C ILE A 61 -9.757 -10.592 6.989 1.00 0.00 C ATOM 935 O ILE A 61 -9.038 -11.562 7.229 1.00 0.00 O ATOM 936 CB ILE A 61 -8.878 -8.736 8.408 1.00 0.00 C ATOM 937 CG1 ILE A 61 -9.193 -7.749 9.534 1.00 0.00 C ATOM 938 CG2 ILE A 61 -8.408 -7.997 7.164 1.00 0.00 C ATOM 939 CD1 ILE A 61 -7.969 -7.059 10.094 1.00 0.00 C ATOM 0 H ILE A 61 -9.997 -11.006 9.632 1.00 0.00 H new ATOM 0 HA ILE A 61 -10.917 -8.945 7.735 1.00 0.00 H new ATOM 0 HB ILE A 61 -8.075 -9.393 8.742 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -9.886 -6.995 9.162 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -9.701 -8.279 10.339 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -7.533 -7.394 7.408 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -8.148 -8.718 6.389 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -9.206 -7.349 6.803 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -8.268 -6.374 10.888 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -7.284 -7.804 10.497 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -7.472 -6.500 9.301 1.00 0.00 H new ATOM 951 N ARG A 62 -10.261 -10.345 5.785 1.00 0.00 N ATOM 952 CA ARG A 62 -9.994 -11.220 4.650 1.00 0.00 C ATOM 953 C ARG A 62 -9.380 -10.438 3.493 1.00 0.00 C ATOM 954 O ARG A 62 -9.756 -9.296 3.232 1.00 0.00 O ATOM 955 CB ARG A 62 -11.284 -11.903 4.191 1.00 0.00 C ATOM 956 CG ARG A 62 -11.287 -13.407 4.408 1.00 0.00 C ATOM 957 CD ARG A 62 -10.701 -14.144 3.213 1.00 0.00 C ATOM 958 NE ARG A 62 -9.789 -15.209 3.620 1.00 0.00 N ATOM 959 CZ ARG A 62 -9.078 -15.935 2.764 1.00 0.00 C ATOM 960 NH1 ARG A 62 -9.174 -15.711 1.461 1.00 0.00 N ATOM 961 NH2 ARG A 62 -8.269 -16.887 3.212 1.00 0.00 N ATOM 0 H ARG A 62 -10.857 -9.546 5.570 1.00 0.00 H new ATOM 0 HA ARG A 62 -9.282 -11.981 4.969 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -12.127 -11.466 4.726 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -11.437 -11.697 3.132 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -10.713 -13.648 5.303 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -12.307 -13.748 4.583 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -11.509 -14.567 2.616 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -10.171 -13.437 2.575 1.00 0.00 H new ATOM 0 HE ARG A 62 -9.692 -15.407 4.616 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -9.795 -14.980 1.114 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -8.627 -16.270 0.806 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -8.193 -17.062 4.214 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -7.723 -17.444 2.554 1.00 0.00 H new ATOM 975 N LYS A 63 -8.432 -11.062 2.802 1.00 0.00 N ATOM 976 CA LYS A 63 -7.764 -10.427 1.672 1.00 0.00 C ATOM 977 C LYS A 63 -8.778 -9.974 0.626 1.00 0.00 C ATOM 978 O LYS A 63 -8.524 -9.042 -0.136 1.00 0.00 O ATOM 979 CB LYS A 63 -6.759 -11.391 1.038 1.00 0.00 C ATOM 980 CG LYS A 63 -5.595 -10.694 0.355 1.00 0.00 C ATOM 981 CD LYS A 63 -4.771 -11.667 -0.472 1.00 0.00 C ATOM 982 CE LYS A 63 -3.979 -12.618 0.412 1.00 0.00 C ATOM 983 NZ LYS A 63 -4.058 -14.023 -0.076 1.00 0.00 N ATOM 0 H LYS A 63 -8.109 -12.008 3.005 1.00 0.00 H new ATOM 0 HA LYS A 63 -7.233 -9.550 2.043 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.371 -12.057 1.809 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.277 -12.015 0.309 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -5.972 -9.898 -0.287 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -4.960 -10.224 1.106 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.430 -12.239 -1.125 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -4.088 -11.112 -1.115 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -2.936 -12.302 0.443 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -4.358 -12.566 1.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -3.506 -14.640 0.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -5.051 -14.333 -0.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -3.673 -14.078 -1.041 1.00 0.00 H new ATOM 997 N SER A 64 -9.929 -10.639 0.597 1.00 0.00 N ATOM 998 CA SER A 64 -10.981 -10.305 -0.357 1.00 0.00 C ATOM 999 C SER A 64 -11.690 -9.016 0.045 1.00 0.00 C ATOM 1000 O SER A 64 -12.252 -8.315 -0.796 1.00 0.00 O ATOM 1001 CB SER A 64 -11.992 -11.449 -0.454 1.00 0.00 C ATOM 1002 OG SER A 64 -11.810 -12.381 0.599 1.00 0.00 O ATOM 0 H SER A 64 -10.157 -11.412 1.223 1.00 0.00 H new ATOM 0 HA SER A 64 -10.519 -10.155 -1.333 1.00 0.00 H new ATOM 0 HB2 SER A 64 -13.005 -11.048 -0.418 1.00 0.00 H new ATOM 0 HB3 SER A 64 -11.884 -11.954 -1.414 1.00 0.00 H new ATOM 0 HG SER A 64 -12.469 -13.101 0.516 1.00 0.00 H new ATOM 1008 N ASP A 65 -11.661 -8.711 1.338 1.00 0.00 N ATOM 1009 CA ASP A 65 -12.300 -7.506 1.854 1.00 0.00 C ATOM 1010 C ASP A 65 -11.293 -6.368 1.980 1.00 0.00 C ATOM 1011 O ASP A 65 -11.463 -5.461 2.796 1.00 0.00 O ATOM 1012 CB ASP A 65 -12.944 -7.787 3.213 1.00 0.00 C ATOM 1013 CG ASP A 65 -14.345 -8.352 3.084 1.00 0.00 C ATOM 1014 OD1 ASP A 65 -14.494 -9.439 2.485 1.00 0.00 O ATOM 1015 OD2 ASP A 65 -15.292 -7.710 3.583 1.00 0.00 O ATOM 0 H ASP A 65 -11.202 -9.282 2.048 1.00 0.00 H new ATOM 0 HA ASP A 65 -13.075 -7.205 1.149 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -12.322 -8.489 3.768 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -12.979 -6.865 3.793 1.00 0.00 H new ATOM 1020 N LEU A 66 -10.243 -6.421 1.167 1.00 0.00 N ATOM 1021 CA LEU A 66 -9.207 -5.395 1.188 1.00 0.00 C ATOM 1022 C LEU A 66 -9.201 -4.601 -0.114 1.00 0.00 C ATOM 1023 O LEU A 66 -9.028 -5.164 -1.195 1.00 0.00 O ATOM 1024 CB LEU A 66 -7.835 -6.032 1.416 1.00 0.00 C ATOM 1025 CG LEU A 66 -7.610 -6.667 2.789 1.00 0.00 C ATOM 1026 CD1 LEU A 66 -6.232 -7.307 2.861 1.00 0.00 C ATOM 1027 CD2 LEU A 66 -7.778 -5.631 3.890 1.00 0.00 C ATOM 0 H LEU A 66 -10.087 -7.164 0.485 1.00 0.00 H new ATOM 0 HA LEU A 66 -9.424 -4.711 2.009 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -7.680 -6.796 0.655 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -7.072 -5.269 1.261 1.00 0.00 H new ATOM 0 HG LEU A 66 -8.358 -7.446 2.935 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -6.089 -7.754 3.845 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -6.149 -8.079 2.096 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -5.469 -6.547 2.693 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -7.614 -6.101 4.860 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -7.054 -4.829 3.748 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -8.787 -5.220 3.852 1.00 0.00 H new ATOM 1039 N ILE A 67 -9.388 -3.290 -0.003 1.00 0.00 N ATOM 1040 CA ILE A 67 -9.401 -2.419 -1.171 1.00 0.00 C ATOM 1041 C ILE A 67 -8.411 -1.270 -1.011 1.00 0.00 C ATOM 1042 O ILE A 67 -7.947 -0.988 0.093 1.00 0.00 O ATOM 1043 CB ILE A 67 -10.805 -1.839 -1.426 1.00 0.00 C ATOM 1044 CG1 ILE A 67 -11.363 -1.215 -0.145 1.00 0.00 C ATOM 1045 CG2 ILE A 67 -11.739 -2.923 -1.944 1.00 0.00 C ATOM 1046 CD1 ILE A 67 -12.671 -0.483 -0.350 1.00 0.00 C ATOM 0 H ILE A 67 -9.533 -2.808 0.884 1.00 0.00 H new ATOM 0 HA ILE A 67 -9.109 -3.032 -2.024 1.00 0.00 H new ATOM 0 HB ILE A 67 -10.728 -1.059 -2.184 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -11.507 -1.999 0.599 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -10.627 -0.521 0.262 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -12.727 -2.498 -2.120 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -11.346 -3.326 -2.877 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -11.813 -3.722 -1.206 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -13.007 -0.066 0.599 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -12.528 0.323 -1.070 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -13.421 -1.178 -0.728 1.00 0.00 H new ATOM 1058 N GLN A 68 -8.094 -0.610 -2.120 1.00 0.00 N ATOM 1059 CA GLN A 68 -7.160 0.509 -2.103 1.00 0.00 C ATOM 1060 C GLN A 68 -7.899 1.833 -1.934 1.00 0.00 C ATOM 1061 O GLN A 68 -8.815 2.145 -2.696 1.00 0.00 O ATOM 1062 CB GLN A 68 -6.335 0.533 -3.390 1.00 0.00 C ATOM 1063 CG GLN A 68 -5.782 -0.828 -3.784 1.00 0.00 C ATOM 1064 CD GLN A 68 -5.068 -0.803 -5.121 1.00 0.00 C ATOM 1065 OE1 GLN A 68 -5.425 -0.034 -6.014 1.00 0.00 O ATOM 1066 NE2 GLN A 68 -4.053 -1.647 -5.266 1.00 0.00 N ATOM 0 H GLN A 68 -8.470 -0.831 -3.042 1.00 0.00 H new ATOM 0 HA GLN A 68 -6.490 0.376 -1.253 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -6.955 0.913 -4.202 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -5.507 1.231 -3.268 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -5.091 -1.172 -3.014 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -6.598 -1.549 -3.826 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -3.791 -2.267 -4.499 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -3.535 -1.676 -6.144 1.00 0.00 H new ATOM 1075 N ASP A 69 -7.496 2.606 -0.932 1.00 0.00 N ATOM 1076 CA ASP A 69 -8.120 3.897 -0.664 1.00 0.00 C ATOM 1077 C ASP A 69 -7.424 5.009 -1.443 1.00 0.00 C ATOM 1078 O ASP A 69 -6.218 5.210 -1.311 1.00 0.00 O ATOM 1079 CB ASP A 69 -8.081 4.205 0.834 1.00 0.00 C ATOM 1080 CG ASP A 69 -9.097 5.256 1.235 1.00 0.00 C ATOM 1081 OD1 ASP A 69 -9.201 6.282 0.530 1.00 0.00 O ATOM 1082 OD2 ASP A 69 -9.789 5.052 2.254 1.00 0.00 O ATOM 0 H ASP A 69 -6.740 2.362 -0.292 1.00 0.00 H new ATOM 0 HA ASP A 69 -9.159 3.845 -0.989 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -8.269 3.290 1.395 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -7.082 4.547 1.106 1.00 0.00 H new ATOM 1087 N GLU A 70 -8.194 5.726 -2.255 1.00 0.00 N ATOM 1088 CA GLU A 70 -7.651 6.816 -3.057 1.00 0.00 C ATOM 1089 C GLU A 70 -7.583 8.107 -2.245 1.00 0.00 C ATOM 1090 O GLU A 70 -6.597 8.841 -2.308 1.00 0.00 O ATOM 1091 CB GLU A 70 -8.503 7.032 -4.309 1.00 0.00 C ATOM 1092 CG GLU A 70 -7.685 7.226 -5.575 1.00 0.00 C ATOM 1093 CD GLU A 70 -8.551 7.360 -6.814 1.00 0.00 C ATOM 1094 OE1 GLU A 70 -9.768 7.101 -6.718 1.00 0.00 O ATOM 1095 OE2 GLU A 70 -8.009 7.724 -7.878 1.00 0.00 O ATOM 0 H GLU A 70 -9.195 5.572 -2.375 1.00 0.00 H new ATOM 0 HA GLU A 70 -6.640 6.542 -3.358 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -9.164 6.175 -4.441 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -9.139 7.905 -4.160 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -7.066 8.117 -5.470 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -7.008 6.381 -5.699 1.00 0.00 H new ATOM 1102 N ALA A 71 -8.639 8.376 -1.484 1.00 0.00 N ATOM 1103 CA ALA A 71 -8.699 9.577 -0.660 1.00 0.00 C ATOM 1104 C ALA A 71 -7.483 9.676 0.255 1.00 0.00 C ATOM 1105 O ALA A 71 -6.971 10.768 0.507 1.00 0.00 O ATOM 1106 CB ALA A 71 -9.981 9.590 0.160 1.00 0.00 C ATOM 0 H ALA A 71 -9.464 7.779 -1.421 1.00 0.00 H new ATOM 0 HA ALA A 71 -8.695 10.443 -1.322 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -10.013 10.492 0.771 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -10.841 9.574 -0.509 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -10.008 8.713 0.807 1.00 0.00 H new ATOM 1112 N LEU A 72 -7.026 8.532 0.750 1.00 0.00 N ATOM 1113 CA LEU A 72 -5.870 8.490 1.639 1.00 0.00 C ATOM 1114 C LEU A 72 -4.570 8.464 0.840 1.00 0.00 C ATOM 1115 O LEU A 72 -3.588 9.106 1.212 1.00 0.00 O ATOM 1116 CB LEU A 72 -5.946 7.264 2.551 1.00 0.00 C ATOM 1117 CG LEU A 72 -5.392 7.444 3.964 1.00 0.00 C ATOM 1118 CD1 LEU A 72 -5.723 6.235 4.825 1.00 0.00 C ATOM 1119 CD2 LEU A 72 -3.889 7.675 3.922 1.00 0.00 C ATOM 0 H LEU A 72 -7.438 7.620 0.551 1.00 0.00 H new ATOM 0 HA LEU A 72 -5.881 9.391 2.252 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -6.989 6.957 2.628 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -5.407 6.446 2.073 1.00 0.00 H new ATOM 0 HG LEU A 72 -5.862 8.321 4.409 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -5.321 6.381 5.827 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -6.805 6.114 4.882 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -5.281 5.342 4.383 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -3.512 7.801 4.937 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -3.402 6.817 3.458 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -3.675 8.572 3.341 1.00 0.00 H new ATOM 1131 N ARG A 73 -4.573 7.719 -0.260 1.00 0.00 N ATOM 1132 CA ARG A 73 -3.395 7.610 -1.112 1.00 0.00 C ATOM 1133 C ARG A 73 -2.895 8.990 -1.527 1.00 0.00 C ATOM 1134 O ARG A 73 -1.720 9.313 -1.354 1.00 0.00 O ATOM 1135 CB ARG A 73 -3.713 6.776 -2.355 1.00 0.00 C ATOM 1136 CG ARG A 73 -3.086 5.392 -2.336 1.00 0.00 C ATOM 1137 CD ARG A 73 -3.092 4.759 -3.719 1.00 0.00 C ATOM 1138 NE ARG A 73 -2.226 3.584 -3.787 1.00 0.00 N ATOM 1139 CZ ARG A 73 -2.233 2.724 -4.799 1.00 0.00 C ATOM 1140 NH1 ARG A 73 -3.056 2.906 -5.823 1.00 0.00 N ATOM 1141 NH2 ARG A 73 -1.415 1.679 -4.789 1.00 0.00 N ATOM 0 H ARG A 73 -5.378 7.182 -0.582 1.00 0.00 H new ATOM 0 HA ARG A 73 -2.610 7.114 -0.541 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -4.794 6.675 -2.447 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -3.366 7.311 -3.239 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -2.061 5.460 -1.970 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -3.631 4.754 -1.640 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -4.111 4.474 -3.983 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -2.765 5.493 -4.455 1.00 0.00 H new ATOM 0 HE ARG A 73 -1.581 3.415 -3.015 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -3.686 3.708 -5.835 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -3.059 2.244 -6.599 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -0.780 1.536 -4.004 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -1.421 1.019 -5.567 1.00 0.00 H new ATOM 1155 N ARG A 74 -3.795 9.800 -2.076 1.00 0.00 N ATOM 1156 CA ARG A 74 -3.445 11.144 -2.517 1.00 0.00 C ATOM 1157 C ARG A 74 -2.983 12.000 -1.341 1.00 0.00 C ATOM 1158 O ARG A 74 -2.067 12.811 -1.472 1.00 0.00 O ATOM 1159 CB ARG A 74 -4.640 11.806 -3.205 1.00 0.00 C ATOM 1160 CG ARG A 74 -5.064 11.113 -4.490 1.00 0.00 C ATOM 1161 CD ARG A 74 -6.455 11.547 -4.924 1.00 0.00 C ATOM 1162 NE ARG A 74 -6.497 11.920 -6.336 1.00 0.00 N ATOM 1163 CZ ARG A 74 -7.596 12.336 -6.954 1.00 0.00 C ATOM 1164 NH1 ARG A 74 -8.739 12.433 -6.288 1.00 0.00 N ATOM 1165 NH2 ARG A 74 -7.554 12.657 -8.241 1.00 0.00 N ATOM 0 H ARG A 74 -4.772 9.548 -2.226 1.00 0.00 H new ATOM 0 HA ARG A 74 -2.624 11.062 -3.229 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -5.483 11.821 -2.515 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -4.392 12.844 -3.427 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -4.348 11.339 -5.280 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -5.047 10.033 -4.345 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -7.161 10.736 -4.742 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -6.777 12.392 -4.316 1.00 0.00 H new ATOM 0 HE ARG A 74 -5.634 11.857 -6.877 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -8.775 12.188 -5.299 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -9.582 12.753 -6.765 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -6.677 12.584 -8.756 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -8.399 12.976 -8.715 1.00 0.00 H new ATOM 1179 N ALA A 75 -3.625 11.813 -0.192 1.00 0.00 N ATOM 1180 CA ALA A 75 -3.280 12.565 1.007 1.00 0.00 C ATOM 1181 C ALA A 75 -1.795 12.438 1.327 1.00 0.00 C ATOM 1182 O ALA A 75 -1.075 13.436 1.383 1.00 0.00 O ATOM 1183 CB ALA A 75 -4.118 12.093 2.186 1.00 0.00 C ATOM 0 H ALA A 75 -4.387 11.147 -0.067 1.00 0.00 H new ATOM 0 HA ALA A 75 -3.496 13.617 0.820 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -3.849 12.664 3.075 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -5.175 12.243 1.964 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -3.931 11.034 2.364 1.00 0.00 H new ATOM 1189 N ILE A 76 -1.342 11.206 1.535 1.00 0.00 N ATOM 1190 CA ILE A 76 0.058 10.950 1.848 1.00 0.00 C ATOM 1191 C ILE A 76 0.976 11.531 0.778 1.00 0.00 C ATOM 1192 O ILE A 76 2.107 11.922 1.064 1.00 0.00 O ATOM 1193 CB ILE A 76 0.337 9.442 1.985 1.00 0.00 C ATOM 1194 CG1 ILE A 76 -0.580 8.825 3.043 1.00 0.00 C ATOM 1195 CG2 ILE A 76 1.798 9.203 2.338 1.00 0.00 C ATOM 1196 CD1 ILE A 76 -0.422 7.326 3.180 1.00 0.00 C ATOM 0 H ILE A 76 -1.924 10.370 1.492 1.00 0.00 H new ATOM 0 HA ILE A 76 0.263 11.437 2.801 1.00 0.00 H new ATOM 0 HB ILE A 76 0.131 8.962 1.028 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.377 9.293 4.006 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -1.616 9.051 2.791 1.00 0.00 H new ATOM 0 HG21 ILE A 76 1.979 8.132 2.431 1.00 0.00 H new ATOM 0 HG22 ILE A 76 2.434 9.612 1.552 1.00 0.00 H new ATOM 0 HG23 ILE A 76 2.029 9.694 3.283 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -1.102 6.957 3.947 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -0.654 6.847 2.229 1.00 0.00 H new ATOM 0 HD13 ILE A 76 0.605 7.093 3.463 1.00 0.00 H new ATOM 1208 N GLU A 77 0.480 11.585 -0.454 1.00 0.00 N ATOM 1209 CA GLU A 77 1.256 12.120 -1.566 1.00 0.00 C ATOM 1210 C GLU A 77 1.320 13.643 -1.503 1.00 0.00 C ATOM 1211 O GLU A 77 2.289 14.253 -1.952 1.00 0.00 O ATOM 1212 CB GLU A 77 0.648 11.678 -2.900 1.00 0.00 C ATOM 1213 CG GLU A 77 1.198 10.357 -3.411 1.00 0.00 C ATOM 1214 CD GLU A 77 0.743 10.044 -4.824 1.00 0.00 C ATOM 1215 OE1 GLU A 77 0.594 10.993 -5.622 1.00 0.00 O ATOM 1216 OE2 GLU A 77 0.536 8.852 -5.130 1.00 0.00 O ATOM 0 H GLU A 77 -0.455 11.265 -0.707 1.00 0.00 H new ATOM 0 HA GLU A 77 2.270 11.728 -1.489 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -0.433 11.593 -2.787 1.00 0.00 H new ATOM 0 HB3 GLU A 77 0.830 12.451 -3.647 1.00 0.00 H new ATOM 0 HG2 GLU A 77 2.287 10.385 -3.382 1.00 0.00 H new ATOM 0 HG3 GLU A 77 0.882 9.554 -2.745 1.00 0.00 H new ATOM 1223 N ASN A 78 0.278 14.250 -0.944 1.00 0.00 N ATOM 1224 CA ASN A 78 0.214 15.702 -0.822 1.00 0.00 C ATOM 1225 C ASN A 78 1.176 16.201 0.252 1.00 0.00 C ATOM 1226 O ASN A 78 1.644 17.339 0.201 1.00 0.00 O ATOM 1227 CB ASN A 78 -1.212 16.145 -0.492 1.00 0.00 C ATOM 1228 CG ASN A 78 -1.684 17.284 -1.375 1.00 0.00 C ATOM 1229 OD1 ASN A 78 -1.670 18.446 -0.969 1.00 0.00 O ATOM 1230 ND2 ASN A 78 -2.104 16.954 -2.591 1.00 0.00 N ATOM 0 H ASN A 78 -0.533 13.759 -0.568 1.00 0.00 H new ATOM 0 HA ASN A 78 0.509 16.135 -1.778 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -1.888 15.297 -0.605 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -1.261 16.454 0.552 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -2.433 17.677 -3.231 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -2.098 15.977 -2.885 1.00 0.00 H new ATOM 1237 N HIS A 79 1.466 15.342 1.224 1.00 0.00 N ATOM 1238 CA HIS A 79 2.372 15.694 2.311 1.00 0.00 C ATOM 1239 C HIS A 79 3.810 15.320 1.962 1.00 0.00 C ATOM 1240 O HIS A 79 4.757 15.942 2.442 1.00 0.00 O ATOM 1241 CB HIS A 79 1.950 14.995 3.603 1.00 0.00 C ATOM 1242 CG HIS A 79 2.861 15.272 4.759 1.00 0.00 C ATOM 1243 ND1 HIS A 79 3.158 16.546 5.195 1.00 0.00 N ATOM 1244 CD2 HIS A 79 3.540 14.429 5.573 1.00 0.00 C ATOM 1245 CE1 HIS A 79 3.982 16.475 6.225 1.00 0.00 C ATOM 1246 NE2 HIS A 79 4.229 15.202 6.475 1.00 0.00 N ATOM 0 H HIS A 79 1.086 14.397 1.281 1.00 0.00 H new ATOM 0 HA HIS A 79 2.321 16.773 2.458 1.00 0.00 H new ATOM 0 HB2 HIS A 79 0.940 15.310 3.864 1.00 0.00 H new ATOM 0 HB3 HIS A 79 1.914 13.920 3.429 1.00 0.00 H new ATOM 0 HD2 HIS A 79 3.540 13.350 5.522 1.00 0.00 H new ATOM 0 HE1 HIS A 79 4.385 17.316 6.770 1.00 0.00 H new ATOM 0 HE2 HIS A 79 4.833 14.850 7.217 1.00 0.00 H new ATOM 1254 N ASN A 80 3.964 14.299 1.125 1.00 0.00 N ATOM 1255 CA ASN A 80 5.286 13.841 0.714 1.00 0.00 C ATOM 1256 C ASN A 80 5.990 14.899 -0.130 1.00 0.00 C ATOM 1257 O ASN A 80 7.208 15.062 -0.052 1.00 0.00 O ATOM 1258 CB ASN A 80 5.173 12.535 -0.076 1.00 0.00 C ATOM 1259 CG ASN A 80 5.978 11.411 0.548 1.00 0.00 C ATOM 1260 OD1 ASN A 80 6.957 10.940 -0.029 1.00 0.00 O ATOM 1261 ND2 ASN A 80 5.566 10.976 1.733 1.00 0.00 N ATOM 0 H ASN A 80 3.190 13.773 0.718 1.00 0.00 H new ATOM 0 HA ASN A 80 5.878 13.665 1.612 1.00 0.00 H new ATOM 0 HB2 ASN A 80 4.126 12.239 -0.135 1.00 0.00 H new ATOM 0 HB3 ASN A 80 5.516 12.700 -1.097 1.00 0.00 H new ATOM 0 HD21 ASN A 80 6.067 10.221 2.202 1.00 0.00 H new ATOM 0 HD22 ASN A 80 4.748 11.397 2.175 1.00 0.00 H new ATOM 1268 N LYS A 81 5.215 15.617 -0.936 1.00 0.00 N ATOM 1269 CA LYS A 81 5.763 16.662 -1.793 1.00 0.00 C ATOM 1270 C LYS A 81 6.565 17.670 -0.978 1.00 0.00 C ATOM 1271 O LYS A 81 7.512 18.277 -1.479 1.00 0.00 O ATOM 1272 CB LYS A 81 4.636 17.377 -2.543 1.00 0.00 C ATOM 1273 CG LYS A 81 3.753 18.228 -1.646 1.00 0.00 C ATOM 1274 CD LYS A 81 4.127 19.698 -1.729 1.00 0.00 C ATOM 1275 CE LYS A 81 3.330 20.416 -2.807 1.00 0.00 C ATOM 1276 NZ LYS A 81 3.662 21.866 -2.870 1.00 0.00 N ATOM 0 H LYS A 81 4.205 15.494 -1.014 1.00 0.00 H new ATOM 0 HA LYS A 81 6.431 16.192 -2.515 1.00 0.00 H new ATOM 0 HB2 LYS A 81 5.070 18.010 -3.317 1.00 0.00 H new ATOM 0 HB3 LYS A 81 4.018 16.634 -3.048 1.00 0.00 H new ATOM 0 HG2 LYS A 81 2.710 18.100 -1.934 1.00 0.00 H new ATOM 0 HG3 LYS A 81 3.843 17.886 -0.615 1.00 0.00 H new ATOM 0 HD2 LYS A 81 3.949 20.175 -0.765 1.00 0.00 H new ATOM 0 HD3 LYS A 81 5.192 19.792 -1.939 1.00 0.00 H new ATOM 0 HE2 LYS A 81 3.531 19.955 -3.774 1.00 0.00 H new ATOM 0 HE3 LYS A 81 2.264 20.296 -2.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 3.098 22.319 -3.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 3.447 22.311 -1.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 4.674 21.982 -3.082 1.00 0.00 H new ATOM 1290 N LYS A 82 6.182 17.844 0.282 1.00 0.00 N ATOM 1291 CA LYS A 82 6.867 18.777 1.169 1.00 0.00 C ATOM 1292 C LYS A 82 8.353 18.448 1.262 1.00 0.00 C ATOM 1293 O LYS A 82 9.193 19.344 1.342 1.00 0.00 O ATOM 1294 CB LYS A 82 6.238 18.742 2.564 1.00 0.00 C ATOM 1295 CG LYS A 82 6.717 19.859 3.475 1.00 0.00 C ATOM 1296 CD LYS A 82 5.999 19.833 4.814 1.00 0.00 C ATOM 1297 CE LYS A 82 4.787 20.751 4.815 1.00 0.00 C ATOM 1298 NZ LYS A 82 3.777 20.337 5.828 1.00 0.00 N ATOM 0 H LYS A 82 5.400 17.351 0.713 1.00 0.00 H new ATOM 0 HA LYS A 82 6.760 19.779 0.754 1.00 0.00 H new ATOM 0 HB2 LYS A 82 5.154 18.804 2.466 1.00 0.00 H new ATOM 0 HB3 LYS A 82 6.462 17.783 3.031 1.00 0.00 H new ATOM 0 HG2 LYS A 82 7.791 19.764 3.635 1.00 0.00 H new ATOM 0 HG3 LYS A 82 6.551 20.821 2.991 1.00 0.00 H new ATOM 0 HD2 LYS A 82 5.685 18.814 5.040 1.00 0.00 H new ATOM 0 HD3 LYS A 82 6.687 20.137 5.603 1.00 0.00 H new ATOM 0 HE2 LYS A 82 5.106 21.773 5.018 1.00 0.00 H new ATOM 0 HE3 LYS A 82 4.330 20.750 3.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 2.967 20.988 5.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 3.453 19.371 5.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 4.205 20.363 6.776 1.00 0.00 H new ATOM 1312 N ARG A 83 8.671 17.157 1.249 1.00 0.00 N ATOM 1313 CA ARG A 83 10.056 16.710 1.331 1.00 0.00 C ATOM 1314 C ARG A 83 10.557 16.240 -0.031 1.00 0.00 C ATOM 1315 O ARG A 83 10.044 15.271 -0.593 1.00 0.00 O ATOM 1316 CB ARG A 83 10.190 15.581 2.354 1.00 0.00 C ATOM 1317 CG ARG A 83 11.619 15.103 2.550 1.00 0.00 C ATOM 1318 CD ARG A 83 11.767 14.299 3.832 1.00 0.00 C ATOM 1319 NE ARG A 83 10.799 13.208 3.909 1.00 0.00 N ATOM 1320 CZ ARG A 83 10.463 12.602 5.042 1.00 0.00 C ATOM 1321 NH1 ARG A 83 11.013 12.980 6.188 1.00 0.00 N ATOM 1322 NH2 ARG A 83 9.574 11.617 5.031 1.00 0.00 N ATOM 0 H ARG A 83 7.988 16.403 1.182 1.00 0.00 H new ATOM 0 HA ARG A 83 10.666 17.555 1.651 1.00 0.00 H new ATOM 0 HB2 ARG A 83 9.795 15.921 3.311 1.00 0.00 H new ATOM 0 HB3 ARG A 83 9.575 14.739 2.036 1.00 0.00 H new ATOM 0 HG2 ARG A 83 11.919 14.491 1.699 1.00 0.00 H new ATOM 0 HG3 ARG A 83 12.290 15.961 2.578 1.00 0.00 H new ATOM 0 HD2 ARG A 83 12.777 13.892 3.890 1.00 0.00 H new ATOM 0 HD3 ARG A 83 11.639 14.959 4.690 1.00 0.00 H new ATOM 0 HE ARG A 83 10.357 12.894 3.045 1.00 0.00 H new ATOM 0 HH11 ARG A 83 11.696 13.738 6.201 1.00 0.00 H new ATOM 0 HH12 ARG A 83 10.753 12.513 7.057 1.00 0.00 H new ATOM 0 HH21 ARG A 83 9.148 11.324 4.152 1.00 0.00 H new ATOM 0 HH22 ARG A 83 9.317 11.152 5.902 1.00 0.00 H new ATOM 1336 N HIS A 84 11.563 16.932 -0.557 1.00 0.00 N ATOM 1337 CA HIS A 84 12.134 16.585 -1.854 1.00 0.00 C ATOM 1338 C HIS A 84 12.687 15.164 -1.841 1.00 0.00 C ATOM 1339 O HIS A 84 12.709 14.506 -0.801 1.00 0.00 O ATOM 1340 CB HIS A 84 13.240 17.573 -2.228 1.00 0.00 C ATOM 1341 CG HIS A 84 12.770 18.696 -3.100 1.00 0.00 C ATOM 1342 ND1 HIS A 84 11.559 19.332 -2.921 1.00 0.00 N ATOM 1343 CD2 HIS A 84 13.356 19.299 -4.161 1.00 0.00 C ATOM 1344 CE1 HIS A 84 11.421 20.276 -3.835 1.00 0.00 C ATOM 1345 NE2 HIS A 84 12.498 20.277 -4.599 1.00 0.00 N ATOM 0 H HIS A 84 11.999 17.736 -0.105 1.00 0.00 H new ATOM 0 HA HIS A 84 11.341 16.640 -2.600 1.00 0.00 H new ATOM 0 HB2 HIS A 84 13.669 17.987 -1.316 1.00 0.00 H new ATOM 0 HB3 HIS A 84 14.038 17.036 -2.740 1.00 0.00 H new ATOM 0 HD2 HIS A 84 14.319 19.056 -4.584 1.00 0.00 H new ATOM 0 HE1 HIS A 84 10.572 20.935 -3.940 1.00 0.00 H new ATOM 0 HE2 HIS A 84 12.665 20.903 -5.387 1.00 0.00 H new ATOM 1353 N ARG A 85 13.133 14.697 -3.003 1.00 0.00 N ATOM 1354 CA ARG A 85 13.684 13.353 -3.125 1.00 0.00 C ATOM 1355 C ARG A 85 15.197 13.366 -2.930 1.00 0.00 C ATOM 1356 O ARG A 85 15.789 12.370 -2.513 1.00 0.00 O ATOM 1357 CB ARG A 85 13.340 12.760 -4.492 1.00 0.00 C ATOM 1358 CG ARG A 85 12.585 11.443 -4.413 1.00 0.00 C ATOM 1359 CD ARG A 85 12.328 10.863 -5.795 1.00 0.00 C ATOM 1360 NE ARG A 85 11.194 11.504 -6.455 1.00 0.00 N ATOM 1361 CZ ARG A 85 10.792 11.201 -7.684 1.00 0.00 C ATOM 1362 NH1 ARG A 85 11.430 10.272 -8.384 1.00 0.00 N ATOM 1363 NH2 ARG A 85 9.750 11.828 -8.216 1.00 0.00 N ATOM 0 H ARG A 85 13.123 15.230 -3.873 1.00 0.00 H new ATOM 0 HA ARG A 85 13.240 12.733 -2.346 1.00 0.00 H new ATOM 0 HB2 ARG A 85 12.741 13.479 -5.050 1.00 0.00 H new ATOM 0 HB3 ARG A 85 14.261 12.608 -5.055 1.00 0.00 H new ATOM 0 HG2 ARG A 85 13.157 10.730 -3.819 1.00 0.00 H new ATOM 0 HG3 ARG A 85 11.636 11.597 -3.900 1.00 0.00 H new ATOM 0 HD2 ARG A 85 13.220 10.982 -6.410 1.00 0.00 H new ATOM 0 HD3 ARG A 85 12.140 9.793 -5.710 1.00 0.00 H new ATOM 0 HE ARG A 85 10.683 12.224 -5.944 1.00 0.00 H new ATOM 0 HH11 ARG A 85 12.231 9.788 -7.978 1.00 0.00 H new ATOM 0 HH12 ARG A 85 11.119 10.041 -9.328 1.00 0.00 H new ATOM 0 HH21 ARG A 85 9.257 12.543 -7.681 1.00 0.00 H new ATOM 0 HH22 ARG A 85 9.442 11.595 -9.160 1.00 0.00 H new ATOM 1377 N HIS A 86 15.818 14.501 -3.236 1.00 0.00 N ATOM 1378 CA HIS A 86 17.263 14.645 -3.095 1.00 0.00 C ATOM 1379 C HIS A 86 17.673 14.589 -1.627 1.00 0.00 C ATOM 1380 O HIS A 86 17.554 15.577 -0.901 1.00 0.00 O ATOM 1381 CB HIS A 86 17.729 15.961 -3.718 1.00 0.00 C ATOM 1382 CG HIS A 86 19.044 15.854 -4.428 1.00 0.00 C ATOM 1383 ND1 HIS A 86 20.227 16.318 -3.894 1.00 0.00 N ATOM 1384 CD2 HIS A 86 19.357 15.332 -5.637 1.00 0.00 C ATOM 1385 CE1 HIS A 86 21.212 16.087 -4.744 1.00 0.00 C ATOM 1386 NE2 HIS A 86 20.710 15.489 -5.810 1.00 0.00 N ATOM 0 H HIS A 86 15.343 15.334 -3.583 1.00 0.00 H new ATOM 0 HA HIS A 86 17.739 13.816 -3.619 1.00 0.00 H new ATOM 0 HB2 HIS A 86 16.973 16.309 -4.422 1.00 0.00 H new ATOM 0 HB3 HIS A 86 17.808 16.716 -2.936 1.00 0.00 H new ATOM 0 HD2 HIS A 86 18.670 14.877 -6.335 1.00 0.00 H new ATOM 0 HE1 HIS A 86 22.250 16.343 -4.593 1.00 0.00 H new ATOM 0 HE2 HIS A 86 21.241 15.192 -6.629 1.00 0.00 H new ATOM 1394 N SER A 87 18.157 13.429 -1.195 1.00 0.00 N ATOM 1395 CA SER A 87 18.581 13.244 0.187 1.00 0.00 C ATOM 1396 C SER A 87 19.765 14.147 0.518 1.00 0.00 C ATOM 1397 O SER A 87 20.614 14.410 -0.333 1.00 0.00 O ATOM 1398 CB SER A 87 18.955 11.781 0.437 1.00 0.00 C ATOM 1399 OG SER A 87 19.196 11.101 -0.782 1.00 0.00 O ATOM 0 H SER A 87 18.265 12.603 -1.783 1.00 0.00 H new ATOM 0 HA SER A 87 17.748 13.515 0.836 1.00 0.00 H new ATOM 0 HB2 SER A 87 19.844 11.732 1.066 1.00 0.00 H new ATOM 0 HB3 SER A 87 18.151 11.285 0.981 1.00 0.00 H new ATOM 0 HG SER A 87 19.435 10.169 -0.595 1.00 0.00 H new ATOM 1405 N GLU A 88 19.814 14.617 1.761 1.00 0.00 N ATOM 1406 CA GLU A 88 20.894 15.491 2.204 1.00 0.00 C ATOM 1407 C GLU A 88 21.825 14.760 3.166 1.00 0.00 C ATOM 1408 O GLU A 88 21.797 14.997 4.374 1.00 0.00 O ATOM 1409 CB GLU A 88 20.324 16.741 2.879 1.00 0.00 C ATOM 1410 CG GLU A 88 19.672 17.713 1.909 1.00 0.00 C ATOM 1411 CD GLU A 88 20.670 18.663 1.276 1.00 0.00 C ATOM 1412 OE1 GLU A 88 21.762 18.202 0.883 1.00 0.00 O ATOM 1413 OE2 GLU A 88 20.358 19.868 1.175 1.00 0.00 O ATOM 0 H GLU A 88 19.119 14.407 2.478 1.00 0.00 H new ATOM 0 HA GLU A 88 21.468 15.790 1.327 1.00 0.00 H new ATOM 0 HB2 GLU A 88 19.590 16.438 3.625 1.00 0.00 H new ATOM 0 HB3 GLU A 88 21.125 17.254 3.411 1.00 0.00 H new ATOM 0 HG2 GLU A 88 19.163 17.152 1.125 1.00 0.00 H new ATOM 0 HG3 GLU A 88 18.911 18.289 2.435 1.00 0.00 H new ATOM 1420 N SER A 89 22.649 13.871 2.622 1.00 0.00 N ATOM 1421 CA SER A 89 23.586 13.101 3.432 1.00 0.00 C ATOM 1422 C SER A 89 22.847 12.272 4.477 1.00 0.00 C ATOM 1423 O SER A 89 22.514 12.764 5.554 1.00 0.00 O ATOM 1424 CB SER A 89 24.586 14.034 4.118 1.00 0.00 C ATOM 1425 OG SER A 89 25.895 13.842 3.610 1.00 0.00 O ATOM 0 H SER A 89 22.687 13.666 1.624 1.00 0.00 H new ATOM 0 HA SER A 89 24.127 12.423 2.772 1.00 0.00 H new ATOM 0 HB2 SER A 89 24.283 15.070 3.968 1.00 0.00 H new ATOM 0 HB3 SER A 89 24.579 13.852 5.193 1.00 0.00 H new ATOM 0 HG SER A 89 26.514 14.451 4.063 1.00 0.00 H new ATOM 1431 N GLY A 90 22.594 11.008 4.150 1.00 0.00 N ATOM 1432 CA GLY A 90 21.897 10.129 5.070 1.00 0.00 C ATOM 1433 C GLY A 90 22.573 8.779 5.208 1.00 0.00 C ATOM 1434 O GLY A 90 23.540 8.472 4.512 1.00 0.00 O ATOM 0 H GLY A 90 22.860 10.578 3.264 1.00 0.00 H new ATOM 0 HA2 GLY A 90 21.840 10.605 6.049 1.00 0.00 H new ATOM 0 HA3 GLY A 90 20.873 9.985 4.725 1.00 0.00 H new ATOM 1438 N PRO A 91 22.060 7.947 6.127 1.00 0.00 N ATOM 1439 CA PRO A 91 22.606 6.610 6.377 1.00 0.00 C ATOM 1440 C PRO A 91 22.343 5.652 5.220 1.00 0.00 C ATOM 1441 O PRO A 91 23.141 4.753 4.953 1.00 0.00 O ATOM 1442 CB PRO A 91 21.859 6.151 7.631 1.00 0.00 C ATOM 1443 CG PRO A 91 20.582 6.918 7.615 1.00 0.00 C ATOM 1444 CD PRO A 91 20.907 8.248 6.993 1.00 0.00 C ATOM 0 HA PRO A 91 23.690 6.627 6.492 1.00 0.00 H new ATOM 0 HB2 PRO A 91 21.676 5.077 7.611 1.00 0.00 H new ATOM 0 HB3 PRO A 91 22.434 6.360 8.533 1.00 0.00 H new ATOM 0 HG2 PRO A 91 19.819 6.394 7.040 1.00 0.00 H new ATOM 0 HG3 PRO A 91 20.190 7.044 8.624 1.00 0.00 H new ATOM 0 HD2 PRO A 91 20.066 8.640 6.421 1.00 0.00 H new ATOM 0 HD3 PRO A 91 21.155 8.995 7.747 1.00 0.00 H new ATOM 1452 N SER A 92 21.221 5.850 4.536 1.00 0.00 N ATOM 1453 CA SER A 92 20.853 5.001 3.409 1.00 0.00 C ATOM 1454 C SER A 92 21.842 5.165 2.259 1.00 0.00 C ATOM 1455 O SER A 92 22.534 6.177 2.161 1.00 0.00 O ATOM 1456 CB SER A 92 19.438 5.336 2.932 1.00 0.00 C ATOM 1457 OG SER A 92 19.273 6.734 2.770 1.00 0.00 O ATOM 0 H SER A 92 20.551 6.591 4.742 1.00 0.00 H new ATOM 0 HA SER A 92 20.880 3.964 3.743 1.00 0.00 H new ATOM 0 HB2 SER A 92 19.240 4.831 1.986 1.00 0.00 H new ATOM 0 HB3 SER A 92 18.710 4.961 3.652 1.00 0.00 H new ATOM 0 HG SER A 92 18.362 6.922 2.463 1.00 0.00 H new ATOM 1463 N SER A 93 21.902 4.160 1.391 1.00 0.00 N ATOM 1464 CA SER A 93 22.809 4.189 0.250 1.00 0.00 C ATOM 1465 C SER A 93 22.240 3.385 -0.916 1.00 0.00 C ATOM 1466 O SER A 93 22.070 2.170 -0.823 1.00 0.00 O ATOM 1467 CB SER A 93 24.179 3.635 0.645 1.00 0.00 C ATOM 1468 OG SER A 93 24.802 4.461 1.613 1.00 0.00 O ATOM 0 H SER A 93 21.333 3.316 1.456 1.00 0.00 H new ATOM 0 HA SER A 93 22.922 5.226 -0.066 1.00 0.00 H new ATOM 0 HB2 SER A 93 24.066 2.626 1.041 1.00 0.00 H new ATOM 0 HB3 SER A 93 24.814 3.562 -0.238 1.00 0.00 H new ATOM 0 HG SER A 93 25.675 4.085 1.850 1.00 0.00 H new ATOM 1474 N GLY A 94 21.948 4.074 -2.015 1.00 0.00 N ATOM 1475 CA GLY A 94 21.402 3.410 -3.184 1.00 0.00 C ATOM 1476 C GLY A 94 20.533 4.329 -4.020 1.00 0.00 C ATOM 1477 O GLY A 94 21.002 4.832 -5.040 1.00 0.00 O ATOM 0 H GLY A 94 22.080 5.080 -2.116 1.00 0.00 H new ATOM 0 HA2 GLY A 94 22.219 3.031 -3.797 1.00 0.00 H new ATOM 0 HA3 GLY A 94 20.814 2.548 -2.867 1.00 0.00 H new TER 1481 GLY A 94 HETATM 1482 ZN ZN A 201 -11.006 -1.737 12.895 1.00 0.00 ZN