USER MOD reduce.3.24.130724 H: found=0, std=0, add=743, rem=0, adj=25 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 HE2 : A 28 HIS NE2 : A 101 ZNZN :(H bumps) USER MOD NoAdj-H: A 32 HIS HE2 : A 32 HIS NE2 : A 101 ZNZN :(H bumps) USER MOD NoAdj-H: A 56 HIS HE2 : A 56 HIS NE2 : A 102 ZNZN :(H bumps) USER MOD NoAdj-H: A 60 HIS HE2 : A 60 HIS NE2 : A 102 ZNZN :(H bumps) USER MOD NoAdj-H: A 83 HIS HE2 : A 83 HIS NE2 : A 103 ZNZN :(H bumps) USER MOD NoAdj-H: A 88 HIS HE2 : A 88 HIS NE2 : A 103 ZNZN :(H bumps) USER MOD Set 1.1: A 74 CYS SG : rot 120:sc= -0.145 USER MOD Set 1.2: A 79 HIS : no HE2:sc= 0.375 K(o=0.23,f=-2.6!) USER MOD Set 2.1: A 64 LYS NZ :NH3+ -177:sc= 0.818 (180deg=0) USER MOD Set 2.2: A 73 THR OG1 : rot -127:sc= 0.717 USER MOD Set 3.1: A 45 TYR OH : rot -177:sc= 0.865 USER MOD Set 3.2: A 47 SER OG : rot 139:sc= 0.8 USER MOD Set 3.3: A 52 ASN : amide:sc= 1.44 K(o=3.1,f=1.8) USER MOD Single : A 1 GLY N :NH3+ -141:sc= 0.0444 (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 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -0.0649 K(o=-0.065,f=-0.83) USER MOD Single : A 17 LYS NZ :NH3+ 135:sc= 1.39 (180deg=0.847) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 HIS : no HD1:sc= -0.0383 X(o=-0.038,f=-0.033) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -0.0578 X(o=-0.058,f=-0.51) USER MOD Single : A 33 THR OG1 : rot -81:sc= 0.899 USER MOD Single : A 34 ASN : amide:sc= 0.25 K(o=0.25,f=-2.2!) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -167:sc= 2.09 (180deg=1.81) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= 0.397 K(o=0.4,f=-3!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot -96:sc= 0.00404 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0.215 USER MOD Single : A 77 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00875) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ -169:sc= 1.26 (180deg=0.718) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.013 22.165 -48.454 1.00 0.00 N ATOM 2 CA GLY A 1 0.395 21.242 -47.477 1.00 0.00 C ATOM 3 C GLY A 1 1.115 21.272 -46.135 1.00 0.00 C ATOM 4 O GLY A 1 1.779 22.256 -45.799 1.00 0.00 O ATOM 0 H1 GLY A 1 0.268 22.627 -49.014 1.00 0.00 H new ATOM 0 H2 GLY A 1 1.565 22.887 -47.948 1.00 0.00 H new ATOM 0 H3 GLY A 1 1.641 21.630 -49.087 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -0.651 21.512 -47.334 1.00 0.00 H new ATOM 0 HA3 GLY A 1 0.411 20.227 -47.875 1.00 0.00 H new ATOM 10 N SER A 2 0.987 20.195 -45.353 1.00 0.00 N ATOM 11 CA SER A 2 1.638 20.014 -44.041 1.00 0.00 C ATOM 12 C SER A 2 1.968 18.536 -43.770 1.00 0.00 C ATOM 13 O SER A 2 1.378 17.636 -44.377 1.00 0.00 O ATOM 14 CB SER A 2 0.738 20.577 -42.933 1.00 0.00 C ATOM 15 OG SER A 2 1.455 20.684 -41.713 1.00 0.00 O ATOM 0 H SER A 2 0.410 19.397 -45.620 1.00 0.00 H new ATOM 0 HA SER A 2 2.581 20.560 -44.052 1.00 0.00 H new ATOM 0 HB2 SER A 2 0.361 21.557 -43.226 1.00 0.00 H new ATOM 0 HB3 SER A 2 -0.128 19.929 -42.796 1.00 0.00 H new ATOM 0 HG SER A 2 0.866 21.046 -41.018 1.00 0.00 H new ATOM 21 N SER A 3 2.919 18.275 -42.870 1.00 0.00 N ATOM 22 CA SER A 3 3.414 16.926 -42.539 1.00 0.00 C ATOM 23 C SER A 3 2.370 16.065 -41.810 1.00 0.00 C ATOM 24 O SER A 3 1.625 16.553 -40.954 1.00 0.00 O ATOM 25 CB SER A 3 4.682 17.015 -41.680 1.00 0.00 C ATOM 26 OG SER A 3 5.692 17.754 -42.353 1.00 0.00 O ATOM 0 H SER A 3 3.381 19.010 -42.335 1.00 0.00 H new ATOM 0 HA SER A 3 3.635 16.441 -43.490 1.00 0.00 H new ATOM 0 HB2 SER A 3 4.450 17.491 -40.727 1.00 0.00 H new ATOM 0 HB3 SER A 3 5.046 16.013 -41.455 1.00 0.00 H new ATOM 0 HG SER A 3 6.493 17.802 -41.790 1.00 0.00 H new ATOM 32 N GLY A 4 2.341 14.764 -42.122 1.00 0.00 N ATOM 33 CA GLY A 4 1.510 13.763 -41.438 1.00 0.00 C ATOM 34 C GLY A 4 2.076 13.299 -40.086 1.00 0.00 C ATOM 35 O GLY A 4 3.172 13.695 -39.674 1.00 0.00 O ATOM 0 H GLY A 4 2.906 14.368 -42.873 1.00 0.00 H new ATOM 0 HA2 GLY A 4 0.515 14.179 -41.280 1.00 0.00 H new ATOM 0 HA3 GLY A 4 1.394 12.896 -42.089 1.00 0.00 H new ATOM 39 N SER A 5 1.330 12.431 -39.399 1.00 0.00 N ATOM 40 CA SER A 5 1.754 11.761 -38.158 1.00 0.00 C ATOM 41 C SER A 5 2.802 10.659 -38.404 1.00 0.00 C ATOM 42 O SER A 5 2.950 10.152 -39.523 1.00 0.00 O ATOM 43 CB SER A 5 0.528 11.200 -37.420 1.00 0.00 C ATOM 44 OG SER A 5 -0.228 10.336 -38.258 1.00 0.00 O ATOM 0 H SER A 5 0.390 12.165 -39.694 1.00 0.00 H new ATOM 0 HA SER A 5 2.239 12.510 -37.532 1.00 0.00 H new ATOM 0 HB2 SER A 5 0.852 10.657 -36.532 1.00 0.00 H new ATOM 0 HB3 SER A 5 -0.101 12.022 -37.079 1.00 0.00 H new ATOM 0 HG SER A 5 -1.000 9.993 -37.762 1.00 0.00 H new ATOM 50 N SER A 6 3.551 10.283 -37.360 1.00 0.00 N ATOM 51 CA SER A 6 4.592 9.245 -37.441 1.00 0.00 C ATOM 52 C SER A 6 4.008 7.837 -37.634 1.00 0.00 C ATOM 53 O SER A 6 2.992 7.480 -37.032 1.00 0.00 O ATOM 54 CB SER A 6 5.494 9.285 -36.204 1.00 0.00 C ATOM 55 OG SER A 6 6.560 8.360 -36.358 1.00 0.00 O ATOM 0 H SER A 6 3.453 10.691 -36.430 1.00 0.00 H new ATOM 0 HA SER A 6 5.190 9.467 -38.325 1.00 0.00 H new ATOM 0 HB2 SER A 6 5.890 10.291 -36.063 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.916 9.043 -35.312 1.00 0.00 H new ATOM 0 HG SER A 6 7.136 8.390 -35.566 1.00 0.00 H new ATOM 61 N GLY A 7 4.672 7.024 -38.462 1.00 0.00 N ATOM 62 CA GLY A 7 4.284 5.641 -38.773 1.00 0.00 C ATOM 63 C GLY A 7 4.785 4.578 -37.783 1.00 0.00 C ATOM 64 O GLY A 7 4.514 3.391 -37.990 1.00 0.00 O ATOM 0 H GLY A 7 5.519 7.317 -38.949 1.00 0.00 H new ATOM 0 HA2 GLY A 7 3.196 5.588 -38.817 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.656 5.392 -39.767 1.00 0.00 H new ATOM 68 N LYS A 8 5.533 4.962 -36.736 1.00 0.00 N ATOM 69 CA LYS A 8 6.148 4.024 -35.777 1.00 0.00 C ATOM 70 C LYS A 8 5.132 3.323 -34.860 1.00 0.00 C ATOM 71 O LYS A 8 4.034 3.829 -34.614 1.00 0.00 O ATOM 72 CB LYS A 8 7.289 4.706 -34.998 1.00 0.00 C ATOM 73 CG LYS A 8 6.809 5.694 -33.918 1.00 0.00 C ATOM 74 CD LYS A 8 7.968 6.474 -33.276 1.00 0.00 C ATOM 75 CE LYS A 8 8.958 5.559 -32.539 1.00 0.00 C ATOM 76 NZ LYS A 8 10.063 6.337 -31.920 1.00 0.00 N ATOM 0 H LYS A 8 5.731 5.941 -36.528 1.00 0.00 H new ATOM 0 HA LYS A 8 6.585 3.216 -36.364 1.00 0.00 H new ATOM 0 HB2 LYS A 8 7.902 3.938 -34.526 1.00 0.00 H new ATOM 0 HB3 LYS A 8 7.929 5.237 -35.703 1.00 0.00 H new ATOM 0 HG2 LYS A 8 6.104 6.397 -34.361 1.00 0.00 H new ATOM 0 HG3 LYS A 8 6.270 5.147 -33.144 1.00 0.00 H new ATOM 0 HD2 LYS A 8 8.499 7.030 -34.049 1.00 0.00 H new ATOM 0 HD3 LYS A 8 7.565 7.206 -32.576 1.00 0.00 H new ATOM 0 HE2 LYS A 8 8.431 4.997 -31.768 1.00 0.00 H new ATOM 0 HE3 LYS A 8 9.371 4.831 -33.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 10.713 5.689 -31.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 10.581 6.853 -32.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 9.670 7.014 -31.236 1.00 0.00 H new ATOM 90 N ILE A 9 5.521 2.151 -34.357 1.00 0.00 N ATOM 91 CA ILE A 9 4.707 1.234 -33.538 1.00 0.00 C ATOM 92 C ILE A 9 5.534 0.767 -32.326 1.00 0.00 C ATOM 93 O ILE A 9 6.751 0.595 -32.432 1.00 0.00 O ATOM 94 CB ILE A 9 4.208 0.050 -34.411 1.00 0.00 C ATOM 95 CG1 ILE A 9 3.334 0.556 -35.585 1.00 0.00 C ATOM 96 CG2 ILE A 9 3.431 -0.974 -33.567 1.00 0.00 C ATOM 97 CD1 ILE A 9 2.832 -0.533 -36.545 1.00 0.00 C ATOM 0 H ILE A 9 6.462 1.791 -34.515 1.00 0.00 H new ATOM 0 HA ILE A 9 3.823 1.745 -33.158 1.00 0.00 H new ATOM 0 HB ILE A 9 5.086 -0.446 -34.825 1.00 0.00 H new ATOM 0 HG12 ILE A 9 2.472 1.081 -35.175 1.00 0.00 H new ATOM 0 HG13 ILE A 9 3.909 1.285 -36.157 1.00 0.00 H new ATOM 0 HG21 ILE A 9 3.094 -1.791 -34.205 1.00 0.00 H new ATOM 0 HG22 ILE A 9 4.080 -1.368 -32.785 1.00 0.00 H new ATOM 0 HG23 ILE A 9 2.567 -0.490 -33.112 1.00 0.00 H new ATOM 0 HD11 ILE A 9 2.230 -0.076 -37.331 1.00 0.00 H new ATOM 0 HD12 ILE A 9 3.684 -1.045 -36.992 1.00 0.00 H new ATOM 0 HD13 ILE A 9 2.225 -1.252 -35.995 1.00 0.00 H new ATOM 109 N PHE A 10 4.883 0.560 -31.177 1.00 0.00 N ATOM 110 CA PHE A 10 5.513 0.190 -29.903 1.00 0.00 C ATOM 111 C PHE A 10 5.091 -1.225 -29.469 1.00 0.00 C ATOM 112 O PHE A 10 3.916 -1.574 -29.568 1.00 0.00 O ATOM 113 CB PHE A 10 5.157 1.254 -28.850 1.00 0.00 C ATOM 114 CG PHE A 10 5.653 2.649 -29.191 1.00 0.00 C ATOM 115 CD1 PHE A 10 4.875 3.502 -29.997 1.00 0.00 C ATOM 116 CD2 PHE A 10 6.905 3.087 -28.721 1.00 0.00 C ATOM 117 CE1 PHE A 10 5.342 4.787 -30.327 1.00 0.00 C ATOM 118 CE2 PHE A 10 7.374 4.371 -29.050 1.00 0.00 C ATOM 119 CZ PHE A 10 6.591 5.224 -29.849 1.00 0.00 C ATOM 0 H PHE A 10 3.869 0.648 -31.104 1.00 0.00 H new ATOM 0 HA PHE A 10 6.597 0.162 -30.018 1.00 0.00 H new ATOM 0 HB2 PHE A 10 4.074 1.284 -28.730 1.00 0.00 H new ATOM 0 HB3 PHE A 10 5.576 0.955 -27.889 1.00 0.00 H new ATOM 0 HD1 PHE A 10 3.915 3.168 -30.363 1.00 0.00 H new ATOM 0 HD2 PHE A 10 7.507 2.435 -28.106 1.00 0.00 H new ATOM 0 HE1 PHE A 10 4.743 5.437 -30.947 1.00 0.00 H new ATOM 0 HE2 PHE A 10 8.336 4.703 -28.689 1.00 0.00 H new ATOM 0 HZ PHE A 10 6.948 6.213 -30.095 1.00 0.00 H new ATOM 129 N THR A 11 6.029 -2.041 -28.976 1.00 0.00 N ATOM 130 CA THR A 11 5.800 -3.469 -28.684 1.00 0.00 C ATOM 131 C THR A 11 6.407 -3.878 -27.337 1.00 0.00 C ATOM 132 O THR A 11 7.553 -3.533 -27.036 1.00 0.00 O ATOM 133 CB THR A 11 6.376 -4.341 -29.815 1.00 0.00 C ATOM 134 OG1 THR A 11 5.885 -3.918 -31.074 1.00 0.00 O ATOM 135 CG2 THR A 11 5.996 -5.813 -29.677 1.00 0.00 C ATOM 0 H THR A 11 6.978 -1.731 -28.765 1.00 0.00 H new ATOM 0 HA THR A 11 4.723 -3.626 -28.621 1.00 0.00 H new ATOM 0 HB THR A 11 7.458 -4.230 -29.743 1.00 0.00 H new ATOM 0 HG1 THR A 11 6.264 -4.483 -31.779 1.00 0.00 H new ATOM 0 HG21 THR A 11 6.429 -6.379 -30.501 1.00 0.00 H new ATOM 0 HG22 THR A 11 6.376 -6.200 -28.731 1.00 0.00 H new ATOM 0 HG23 THR A 11 4.911 -5.912 -29.700 1.00 0.00 H new ATOM 143 N CYS A 12 5.653 -4.642 -26.540 1.00 0.00 N ATOM 144 CA CYS A 12 6.087 -5.220 -25.270 1.00 0.00 C ATOM 145 C CYS A 12 7.065 -6.389 -25.493 1.00 0.00 C ATOM 146 O CYS A 12 6.779 -7.332 -26.236 1.00 0.00 O ATOM 147 CB CYS A 12 4.832 -5.636 -24.496 1.00 0.00 C ATOM 148 SG CYS A 12 5.293 -6.391 -22.909 1.00 0.00 S ATOM 0 H CYS A 12 4.689 -4.882 -26.773 1.00 0.00 H new ATOM 0 HA CYS A 12 6.642 -4.488 -24.683 1.00 0.00 H new ATOM 0 HB2 CYS A 12 4.198 -4.766 -24.322 1.00 0.00 H new ATOM 0 HB3 CYS A 12 4.249 -6.342 -25.087 1.00 0.00 H new ATOM 153 N GLU A 13 8.217 -6.347 -24.821 1.00 0.00 N ATOM 154 CA GLU A 13 9.234 -7.408 -24.876 1.00 0.00 C ATOM 155 C GLU A 13 8.931 -8.605 -23.950 1.00 0.00 C ATOM 156 O GLU A 13 9.618 -9.627 -24.021 1.00 0.00 O ATOM 157 CB GLU A 13 10.630 -6.812 -24.624 1.00 0.00 C ATOM 158 CG GLU A 13 10.843 -6.291 -23.196 1.00 0.00 C ATOM 159 CD GLU A 13 12.253 -5.688 -23.043 1.00 0.00 C ATOM 160 OE1 GLU A 13 13.223 -6.445 -22.791 1.00 0.00 O ATOM 161 OE2 GLU A 13 12.410 -4.448 -23.186 1.00 0.00 O ATOM 0 H GLU A 13 8.476 -5.568 -24.216 1.00 0.00 H new ATOM 0 HA GLU A 13 9.210 -7.826 -25.882 1.00 0.00 H new ATOM 0 HB2 GLU A 13 11.381 -7.572 -24.837 1.00 0.00 H new ATOM 0 HB3 GLU A 13 10.796 -5.994 -25.326 1.00 0.00 H new ATOM 0 HG2 GLU A 13 10.092 -5.537 -22.963 1.00 0.00 H new ATOM 0 HG3 GLU A 13 10.710 -7.104 -22.483 1.00 0.00 H new ATOM 168 N TYR A 14 7.903 -8.498 -23.096 1.00 0.00 N ATOM 169 CA TYR A 14 7.562 -9.501 -22.078 1.00 0.00 C ATOM 170 C TYR A 14 6.336 -10.361 -22.438 1.00 0.00 C ATOM 171 O TYR A 14 6.292 -11.534 -22.057 1.00 0.00 O ATOM 172 CB TYR A 14 7.342 -8.799 -20.733 1.00 0.00 C ATOM 173 CG TYR A 14 8.528 -8.017 -20.200 1.00 0.00 C ATOM 174 CD1 TYR A 14 9.541 -8.681 -19.479 1.00 0.00 C ATOM 175 CD2 TYR A 14 8.605 -6.625 -20.402 1.00 0.00 C ATOM 176 CE1 TYR A 14 10.629 -7.955 -18.957 1.00 0.00 C ATOM 177 CE2 TYR A 14 9.694 -5.897 -19.882 1.00 0.00 C ATOM 178 CZ TYR A 14 10.708 -6.559 -19.158 1.00 0.00 C ATOM 179 OH TYR A 14 11.755 -5.846 -18.657 1.00 0.00 O ATOM 0 H TYR A 14 7.273 -7.696 -23.094 1.00 0.00 H new ATOM 0 HA TYR A 14 8.402 -10.193 -22.019 1.00 0.00 H new ATOM 0 HB2 TYR A 14 6.496 -8.119 -20.833 1.00 0.00 H new ATOM 0 HB3 TYR A 14 7.062 -9.549 -19.993 1.00 0.00 H new ATOM 0 HD1 TYR A 14 9.483 -9.749 -19.327 1.00 0.00 H new ATOM 0 HD2 TYR A 14 7.830 -6.116 -20.955 1.00 0.00 H new ATOM 0 HE1 TYR A 14 11.403 -8.466 -18.403 1.00 0.00 H new ATOM 0 HE2 TYR A 14 9.752 -4.830 -20.038 1.00 0.00 H new ATOM 0 HH TYR A 14 11.648 -4.900 -18.891 1.00 0.00 H new ATOM 189 N CYS A 15 5.357 -9.803 -23.170 1.00 0.00 N ATOM 190 CA CYS A 15 4.135 -10.505 -23.603 1.00 0.00 C ATOM 191 C CYS A 15 3.751 -10.307 -25.093 1.00 0.00 C ATOM 192 O CYS A 15 2.691 -10.761 -25.531 1.00 0.00 O ATOM 193 CB CYS A 15 2.990 -10.213 -22.617 1.00 0.00 C ATOM 194 SG CYS A 15 2.432 -8.499 -22.686 1.00 0.00 S ATOM 0 H CYS A 15 5.393 -8.833 -23.484 1.00 0.00 H new ATOM 0 HA CYS A 15 4.354 -11.572 -23.568 1.00 0.00 H new ATOM 0 HB2 CYS A 15 2.151 -10.873 -22.836 1.00 0.00 H new ATOM 0 HB3 CYS A 15 3.321 -10.443 -21.604 1.00 0.00 H new ATOM 199 N ASN A 16 4.626 -9.674 -25.887 1.00 0.00 N ATOM 200 CA ASN A 16 4.494 -9.459 -27.338 1.00 0.00 C ATOM 201 C ASN A 16 3.229 -8.681 -27.788 1.00 0.00 C ATOM 202 O ASN A 16 2.826 -8.748 -28.952 1.00 0.00 O ATOM 203 CB ASN A 16 4.727 -10.797 -28.075 1.00 0.00 C ATOM 204 CG ASN A 16 5.088 -10.640 -29.547 1.00 0.00 C ATOM 205 OD1 ASN A 16 5.670 -9.657 -29.988 1.00 0.00 O ATOM 206 ND2 ASN A 16 4.800 -11.636 -30.357 1.00 0.00 N ATOM 0 H ASN A 16 5.490 -9.277 -25.517 1.00 0.00 H new ATOM 0 HA ASN A 16 5.278 -8.763 -27.636 1.00 0.00 H new ATOM 0 HB2 ASN A 16 5.525 -11.343 -27.572 1.00 0.00 H new ATOM 0 HB3 ASN A 16 3.826 -11.405 -27.995 1.00 0.00 H new ATOM 0 HD21 ASN A 16 5.061 -11.585 -31.342 1.00 0.00 H new ATOM 0 HD22 ASN A 16 4.315 -12.460 -30.000 1.00 0.00 H new ATOM 213 N LYS A 17 2.599 -7.928 -26.877 1.00 0.00 N ATOM 214 CA LYS A 17 1.500 -6.993 -27.181 1.00 0.00 C ATOM 215 C LYS A 17 1.996 -5.761 -27.937 1.00 0.00 C ATOM 216 O LYS A 17 3.134 -5.328 -27.758 1.00 0.00 O ATOM 217 CB LYS A 17 0.795 -6.562 -25.890 1.00 0.00 C ATOM 218 CG LYS A 17 -0.077 -7.677 -25.308 1.00 0.00 C ATOM 219 CD LYS A 17 -0.666 -7.192 -23.977 1.00 0.00 C ATOM 220 CE LYS A 17 -1.384 -8.281 -23.178 1.00 0.00 C ATOM 221 NZ LYS A 17 -0.500 -9.446 -22.895 1.00 0.00 N ATOM 0 H LYS A 17 2.842 -7.950 -25.887 1.00 0.00 H new ATOM 0 HA LYS A 17 0.793 -7.518 -27.823 1.00 0.00 H new ATOM 0 HB2 LYS A 17 1.541 -6.264 -25.153 1.00 0.00 H new ATOM 0 HB3 LYS A 17 0.177 -5.687 -26.090 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -0.876 -7.935 -26.004 1.00 0.00 H new ATOM 0 HG3 LYS A 17 0.515 -8.579 -25.154 1.00 0.00 H new ATOM 0 HD2 LYS A 17 0.136 -6.778 -23.366 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -1.366 -6.381 -24.176 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -1.743 -7.863 -22.238 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -2.260 -8.618 -23.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -0.608 -9.731 -21.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -0.763 -10.240 -23.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 0.490 -9.182 -23.073 1.00 0.00 H new ATOM 235 N VAL A 18 1.113 -5.187 -28.750 1.00 0.00 N ATOM 236 CA VAL A 18 1.394 -4.053 -29.647 1.00 0.00 C ATOM 237 C VAL A 18 0.525 -2.841 -29.282 1.00 0.00 C ATOM 238 O VAL A 18 -0.669 -2.982 -29.007 1.00 0.00 O ATOM 239 CB VAL A 18 1.213 -4.472 -31.121 1.00 0.00 C ATOM 240 CG1 VAL A 18 1.536 -3.325 -32.080 1.00 0.00 C ATOM 241 CG2 VAL A 18 2.138 -5.641 -31.492 1.00 0.00 C ATOM 0 H VAL A 18 0.146 -5.505 -28.810 1.00 0.00 H new ATOM 0 HA VAL A 18 2.434 -3.753 -29.518 1.00 0.00 H new ATOM 0 HB VAL A 18 0.168 -4.765 -31.218 1.00 0.00 H new ATOM 0 HG11 VAL A 18 1.397 -3.660 -33.108 1.00 0.00 H new ATOM 0 HG12 VAL A 18 0.872 -2.485 -31.879 1.00 0.00 H new ATOM 0 HG13 VAL A 18 2.570 -3.012 -31.938 1.00 0.00 H new ATOM 0 HG21 VAL A 18 1.984 -5.910 -32.537 1.00 0.00 H new ATOM 0 HG22 VAL A 18 3.176 -5.345 -31.343 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.911 -6.499 -30.860 1.00 0.00 H new ATOM 251 N PHE A 19 1.132 -1.652 -29.288 1.00 0.00 N ATOM 252 CA PHE A 19 0.564 -0.383 -28.829 1.00 0.00 C ATOM 253 C PHE A 19 0.863 0.765 -29.813 1.00 0.00 C ATOM 254 O PHE A 19 1.906 0.790 -30.476 1.00 0.00 O ATOM 255 CB PHE A 19 1.114 -0.061 -27.426 1.00 0.00 C ATOM 256 CG PHE A 19 0.839 -1.131 -26.383 1.00 0.00 C ATOM 257 CD1 PHE A 19 -0.399 -1.171 -25.713 1.00 0.00 C ATOM 258 CD2 PHE A 19 1.805 -2.122 -26.116 1.00 0.00 C ATOM 259 CE1 PHE A 19 -0.682 -2.210 -24.807 1.00 0.00 C ATOM 260 CE2 PHE A 19 1.521 -3.159 -25.210 1.00 0.00 C ATOM 261 CZ PHE A 19 0.272 -3.215 -24.564 1.00 0.00 C ATOM 0 H PHE A 19 2.086 -1.543 -29.632 1.00 0.00 H new ATOM 0 HA PHE A 19 -0.520 -0.484 -28.781 1.00 0.00 H new ATOM 0 HB2 PHE A 19 2.191 0.091 -27.497 1.00 0.00 H new ATOM 0 HB3 PHE A 19 0.681 0.880 -27.086 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -1.134 -0.401 -25.895 1.00 0.00 H new ATOM 0 HD2 PHE A 19 2.765 -2.085 -26.608 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -1.634 -2.236 -24.297 1.00 0.00 H new ATOM 0 HE2 PHE A 19 2.265 -3.916 -25.009 1.00 0.00 H new ATOM 0 HZ PHE A 19 0.047 -4.025 -23.886 1.00 0.00 H new ATOM 271 N LYS A 20 -0.055 1.737 -29.899 1.00 0.00 N ATOM 272 CA LYS A 20 0.013 2.858 -30.856 1.00 0.00 C ATOM 273 C LYS A 20 1.002 3.960 -30.450 1.00 0.00 C ATOM 274 O LYS A 20 1.576 4.616 -31.319 1.00 0.00 O ATOM 275 CB LYS A 20 -1.412 3.405 -31.062 1.00 0.00 C ATOM 276 CG LYS A 20 -1.507 4.401 -32.231 1.00 0.00 C ATOM 277 CD LYS A 20 -2.966 4.773 -32.526 1.00 0.00 C ATOM 278 CE LYS A 20 -3.023 5.799 -33.665 1.00 0.00 C ATOM 279 NZ LYS A 20 -4.424 6.172 -33.995 1.00 0.00 N ATOM 0 H LYS A 20 -0.879 1.770 -29.299 1.00 0.00 H new ATOM 0 HA LYS A 20 0.409 2.479 -31.798 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -2.092 2.573 -31.244 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -1.744 3.894 -30.146 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -0.941 5.301 -31.992 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -1.053 3.965 -33.121 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -3.530 3.881 -32.800 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -3.434 5.184 -31.631 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.466 6.691 -33.380 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -2.537 5.389 -34.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -4.425 6.867 -34.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -4.949 5.324 -34.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -4.880 6.586 -33.157 1.00 0.00 H new ATOM 293 N PHE A 21 1.224 4.147 -29.145 1.00 0.00 N ATOM 294 CA PHE A 21 2.027 5.242 -28.584 1.00 0.00 C ATOM 295 C PHE A 21 3.006 4.775 -27.498 1.00 0.00 C ATOM 296 O PHE A 21 2.780 3.767 -26.820 1.00 0.00 O ATOM 297 CB PHE A 21 1.095 6.322 -28.013 1.00 0.00 C ATOM 298 CG PHE A 21 0.056 6.869 -28.974 1.00 0.00 C ATOM 299 CD1 PHE A 21 0.439 7.740 -30.013 1.00 0.00 C ATOM 300 CD2 PHE A 21 -1.302 6.526 -28.819 1.00 0.00 C ATOM 301 CE1 PHE A 21 -0.528 8.271 -30.884 1.00 0.00 C ATOM 302 CE2 PHE A 21 -2.270 7.065 -29.686 1.00 0.00 C ATOM 303 CZ PHE A 21 -1.884 7.939 -30.717 1.00 0.00 C ATOM 0 H PHE A 21 0.842 3.527 -28.431 1.00 0.00 H new ATOM 0 HA PHE A 21 2.628 5.647 -29.398 1.00 0.00 H new ATOM 0 HB2 PHE A 21 0.580 5.910 -27.146 1.00 0.00 H new ATOM 0 HB3 PHE A 21 1.706 7.151 -27.656 1.00 0.00 H new ATOM 0 HD1 PHE A 21 1.479 8.001 -30.141 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -1.600 5.848 -28.033 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -0.229 8.934 -31.682 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -3.311 6.807 -29.559 1.00 0.00 H new ATOM 0 HZ PHE A 21 -2.628 8.355 -31.380 1.00 0.00 H new ATOM 313 N LYS A 22 4.062 5.569 -27.275 1.00 0.00 N ATOM 314 CA LYS A 22 5.081 5.333 -26.237 1.00 0.00 C ATOM 315 C LYS A 22 4.474 5.312 -24.833 1.00 0.00 C ATOM 316 O LYS A 22 4.790 4.428 -24.040 1.00 0.00 O ATOM 317 CB LYS A 22 6.174 6.409 -26.363 1.00 0.00 C ATOM 318 CG LYS A 22 7.443 6.049 -25.577 1.00 0.00 C ATOM 319 CD LYS A 22 8.526 7.116 -25.784 1.00 0.00 C ATOM 320 CE LYS A 22 9.817 6.709 -25.064 1.00 0.00 C ATOM 321 NZ LYS A 22 10.879 7.739 -25.220 1.00 0.00 N ATOM 0 H LYS A 22 4.238 6.412 -27.822 1.00 0.00 H new ATOM 0 HA LYS A 22 5.521 4.348 -26.390 1.00 0.00 H new ATOM 0 HB2 LYS A 22 6.427 6.544 -27.414 1.00 0.00 H new ATOM 0 HB3 LYS A 22 5.785 7.362 -26.004 1.00 0.00 H new ATOM 0 HG2 LYS A 22 7.208 5.962 -24.516 1.00 0.00 H new ATOM 0 HG3 LYS A 22 7.815 5.077 -25.902 1.00 0.00 H new ATOM 0 HD2 LYS A 22 8.720 7.245 -26.849 1.00 0.00 H new ATOM 0 HD3 LYS A 22 8.177 8.077 -25.405 1.00 0.00 H new ATOM 0 HE2 LYS A 22 9.611 6.556 -24.005 1.00 0.00 H new ATOM 0 HE3 LYS A 22 10.171 5.757 -25.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 11.738 7.431 -24.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 11.093 7.867 -26.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 10.550 8.640 -24.819 1.00 0.00 H new ATOM 335 N HIS A 23 3.555 6.238 -24.542 1.00 0.00 N ATOM 336 CA HIS A 23 2.873 6.320 -23.246 1.00 0.00 C ATOM 337 C HIS A 23 1.956 5.112 -22.978 1.00 0.00 C ATOM 338 O HIS A 23 1.856 4.666 -21.834 1.00 0.00 O ATOM 339 CB HIS A 23 2.130 7.661 -23.125 1.00 0.00 C ATOM 340 CG HIS A 23 1.056 7.913 -24.159 1.00 0.00 C ATOM 341 ND1 HIS A 23 1.149 8.762 -25.242 1.00 0.00 N ATOM 342 CD2 HIS A 23 -0.222 7.420 -24.148 1.00 0.00 C ATOM 343 CE1 HIS A 23 -0.039 8.773 -25.871 1.00 0.00 C ATOM 344 NE2 HIS A 23 -0.910 7.967 -25.240 1.00 0.00 N ATOM 0 H HIS A 23 3.261 6.957 -25.203 1.00 0.00 H new ATOM 0 HA HIS A 23 3.632 6.281 -22.465 1.00 0.00 H new ATOM 0 HB2 HIS A 23 1.676 7.715 -22.136 1.00 0.00 H new ATOM 0 HB3 HIS A 23 2.861 8.467 -23.184 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -0.629 6.730 -23.424 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -0.262 9.348 -26.758 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -1.879 7.789 -25.503 1.00 0.00 H new ATOM 352 N SER A 24 1.353 4.525 -24.019 1.00 0.00 N ATOM 353 CA SER A 24 0.540 3.305 -23.908 1.00 0.00 C ATOM 354 C SER A 24 1.393 2.096 -23.503 1.00 0.00 C ATOM 355 O SER A 24 1.037 1.380 -22.565 1.00 0.00 O ATOM 356 CB SER A 24 -0.174 3.008 -25.233 1.00 0.00 C ATOM 357 OG SER A 24 -0.938 4.117 -25.675 1.00 0.00 O ATOM 0 H SER A 24 1.415 4.886 -24.971 1.00 0.00 H new ATOM 0 HA SER A 24 -0.202 3.480 -23.129 1.00 0.00 H new ATOM 0 HB2 SER A 24 0.562 2.747 -25.993 1.00 0.00 H new ATOM 0 HB3 SER A 24 -0.825 2.143 -25.110 1.00 0.00 H new ATOM 0 HG SER A 24 -1.378 3.894 -26.522 1.00 0.00 H new ATOM 363 N LEU A 25 2.559 1.908 -24.138 1.00 0.00 N ATOM 364 CA LEU A 25 3.516 0.869 -23.747 1.00 0.00 C ATOM 365 C LEU A 25 4.112 1.129 -22.351 1.00 0.00 C ATOM 366 O LEU A 25 4.187 0.206 -21.545 1.00 0.00 O ATOM 367 CB LEU A 25 4.600 0.724 -24.834 1.00 0.00 C ATOM 368 CG LEU A 25 5.704 -0.296 -24.482 1.00 0.00 C ATOM 369 CD1 LEU A 25 5.168 -1.711 -24.252 1.00 0.00 C ATOM 370 CD2 LEU A 25 6.736 -0.374 -25.604 1.00 0.00 C ATOM 0 H LEU A 25 2.862 2.470 -24.933 1.00 0.00 H new ATOM 0 HA LEU A 25 2.986 -0.080 -23.668 1.00 0.00 H new ATOM 0 HB2 LEU A 25 4.126 0.424 -25.769 1.00 0.00 H new ATOM 0 HB3 LEU A 25 5.060 1.697 -25.008 1.00 0.00 H new ATOM 0 HG LEU A 25 6.148 0.064 -23.554 1.00 0.00 H new ATOM 0 HD11 LEU A 25 5.995 -2.378 -24.009 1.00 0.00 H new ATOM 0 HD12 LEU A 25 4.455 -1.701 -23.427 1.00 0.00 H new ATOM 0 HD13 LEU A 25 4.671 -2.063 -25.156 1.00 0.00 H new ATOM 0 HD21 LEU A 25 7.507 -1.098 -25.339 1.00 0.00 H new ATOM 0 HD22 LEU A 25 6.247 -0.686 -26.527 1.00 0.00 H new ATOM 0 HD23 LEU A 25 7.192 0.606 -25.748 1.00 0.00 H new ATOM 382 N GLN A 26 4.482 2.368 -22.018 1.00 0.00 N ATOM 383 CA GLN A 26 5.015 2.718 -20.691 1.00 0.00 C ATOM 384 C GLN A 26 4.011 2.455 -19.557 1.00 0.00 C ATOM 385 O GLN A 26 4.394 1.948 -18.501 1.00 0.00 O ATOM 386 CB GLN A 26 5.461 4.189 -20.679 1.00 0.00 C ATOM 387 CG GLN A 26 6.815 4.404 -21.382 1.00 0.00 C ATOM 388 CD GLN A 26 8.013 3.790 -20.650 1.00 0.00 C ATOM 389 OE1 GLN A 26 7.971 3.430 -19.482 1.00 0.00 O ATOM 390 NE2 GLN A 26 9.143 3.652 -21.312 1.00 0.00 N ATOM 0 H GLN A 26 4.422 3.160 -22.658 1.00 0.00 H new ATOM 0 HA GLN A 26 5.872 2.070 -20.507 1.00 0.00 H new ATOM 0 HB2 GLN A 26 4.701 4.799 -21.168 1.00 0.00 H new ATOM 0 HB3 GLN A 26 5.532 4.535 -19.648 1.00 0.00 H new ATOM 0 HG2 GLN A 26 6.761 3.980 -22.385 1.00 0.00 H new ATOM 0 HG3 GLN A 26 6.985 5.475 -21.497 1.00 0.00 H new ATOM 0 HE21 GLN A 26 9.202 3.945 -22.287 1.00 0.00 H new ATOM 0 HE22 GLN A 26 9.959 3.252 -20.850 1.00 0.00 H new ATOM 399 N ALA A 27 2.723 2.733 -19.775 1.00 0.00 N ATOM 400 CA ALA A 27 1.667 2.418 -18.815 1.00 0.00 C ATOM 401 C ALA A 27 1.373 0.907 -18.729 1.00 0.00 C ATOM 402 O ALA A 27 1.084 0.402 -17.643 1.00 0.00 O ATOM 403 CB ALA A 27 0.428 3.232 -19.190 1.00 0.00 C ATOM 0 H ALA A 27 2.384 3.184 -20.625 1.00 0.00 H new ATOM 0 HA ALA A 27 1.997 2.693 -17.813 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -0.376 3.015 -18.487 1.00 0.00 H new ATOM 0 HB2 ALA A 27 0.666 4.295 -19.152 1.00 0.00 H new ATOM 0 HB3 ALA A 27 0.110 2.967 -20.199 1.00 0.00 H new ATOM 409 N HIS A 28 1.510 0.165 -19.833 1.00 0.00 N ATOM 410 CA HIS A 28 1.427 -1.299 -19.840 1.00 0.00 C ATOM 411 C HIS A 28 2.597 -1.961 -19.086 1.00 0.00 C ATOM 412 O HIS A 28 2.386 -2.891 -18.307 1.00 0.00 O ATOM 413 CB HIS A 28 1.347 -1.791 -21.293 1.00 0.00 C ATOM 414 CG HIS A 28 1.457 -3.288 -21.393 1.00 0.00 C ATOM 415 ND1 HIS A 28 0.519 -4.195 -20.963 1.00 0.00 N ATOM 416 CD2 HIS A 28 2.556 -3.994 -21.798 1.00 0.00 C ATOM 417 CE1 HIS A 28 1.035 -5.424 -21.095 1.00 0.00 C ATOM 418 NE2 HIS A 28 2.290 -5.365 -21.607 1.00 0.00 N ATOM 0 H HIS A 28 1.683 0.567 -20.754 1.00 0.00 H new ATOM 0 HA HIS A 28 0.524 -1.593 -19.305 1.00 0.00 H new ATOM 0 HB2 HIS A 28 0.404 -1.468 -21.733 1.00 0.00 H new ATOM 0 HB3 HIS A 28 2.145 -1.330 -21.875 1.00 0.00 H new ATOM 0 HD1 HIS A 28 -0.410 -3.971 -20.605 1.00 0.00 H new ATOM 0 HD2 HIS A 28 3.469 -3.574 -22.195 1.00 0.00 H new ATOM 0 HE1 HIS A 28 0.522 -6.337 -20.830 1.00 0.00 H new ATOM 426 N LEU A 29 3.827 -1.461 -19.257 1.00 0.00 N ATOM 427 CA LEU A 29 5.049 -1.993 -18.629 1.00 0.00 C ATOM 428 C LEU A 29 5.018 -1.986 -17.089 1.00 0.00 C ATOM 429 O LEU A 29 5.785 -2.723 -16.465 1.00 0.00 O ATOM 430 CB LEU A 29 6.271 -1.215 -19.162 1.00 0.00 C ATOM 431 CG LEU A 29 6.737 -1.650 -20.567 1.00 0.00 C ATOM 432 CD1 LEU A 29 7.733 -0.633 -21.124 1.00 0.00 C ATOM 433 CD2 LEU A 29 7.434 -3.011 -20.539 1.00 0.00 C ATOM 0 H LEU A 29 4.008 -0.653 -19.852 1.00 0.00 H new ATOM 0 HA LEU A 29 5.119 -3.045 -18.905 1.00 0.00 H new ATOM 0 HB2 LEU A 29 6.029 -0.153 -19.185 1.00 0.00 H new ATOM 0 HB3 LEU A 29 7.098 -1.338 -18.463 1.00 0.00 H new ATOM 0 HG LEU A 29 5.846 -1.713 -21.192 1.00 0.00 H new ATOM 0 HD11 LEU A 29 8.057 -0.947 -22.116 1.00 0.00 H new ATOM 0 HD12 LEU A 29 7.256 0.345 -21.191 1.00 0.00 H new ATOM 0 HD13 LEU A 29 8.597 -0.570 -20.463 1.00 0.00 H new ATOM 0 HD21 LEU A 29 7.747 -3.281 -21.548 1.00 0.00 H new ATOM 0 HD22 LEU A 29 8.308 -2.959 -19.890 1.00 0.00 H new ATOM 0 HD23 LEU A 29 6.745 -3.765 -20.159 1.00 0.00 H new ATOM 445 N ARG A 30 4.096 -1.244 -16.461 1.00 0.00 N ATOM 446 CA ARG A 30 3.867 -1.236 -15.001 1.00 0.00 C ATOM 447 C ARG A 30 3.566 -2.623 -14.409 1.00 0.00 C ATOM 448 O ARG A 30 3.797 -2.823 -13.219 1.00 0.00 O ATOM 449 CB ARG A 30 2.730 -0.255 -14.666 1.00 0.00 C ATOM 450 CG ARG A 30 3.082 1.200 -15.023 1.00 0.00 C ATOM 451 CD ARG A 30 1.903 2.139 -14.746 1.00 0.00 C ATOM 452 NE ARG A 30 2.222 3.524 -15.145 1.00 0.00 N ATOM 453 CZ ARG A 30 1.362 4.504 -15.362 1.00 0.00 C ATOM 454 NH1 ARG A 30 0.076 4.344 -15.227 1.00 0.00 N ATOM 455 NH2 ARG A 30 1.786 5.680 -15.728 1.00 0.00 N ATOM 0 H ARG A 30 3.470 -0.615 -16.963 1.00 0.00 H new ATOM 0 HA ARG A 30 4.800 -0.913 -14.540 1.00 0.00 H new ATOM 0 HB2 ARG A 30 1.830 -0.550 -15.205 1.00 0.00 H new ATOM 0 HB3 ARG A 30 2.501 -0.319 -13.602 1.00 0.00 H new ATOM 0 HG2 ARG A 30 3.949 1.520 -14.444 1.00 0.00 H new ATOM 0 HG3 ARG A 30 3.360 1.262 -16.075 1.00 0.00 H new ATOM 0 HD2 ARG A 30 1.024 1.794 -15.290 1.00 0.00 H new ATOM 0 HD3 ARG A 30 1.653 2.111 -13.685 1.00 0.00 H new ATOM 0 HE ARG A 30 3.210 3.748 -15.266 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -0.298 3.438 -14.945 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -0.556 5.125 -15.404 1.00 0.00 H new ATOM 0 HH21 ARG A 30 2.785 5.847 -15.848 1.00 0.00 H new ATOM 0 HH22 ARG A 30 1.119 6.434 -15.894 1.00 0.00 H new ATOM 469 N ILE A 31 3.089 -3.587 -15.211 1.00 0.00 N ATOM 470 CA ILE A 31 2.848 -4.971 -14.766 1.00 0.00 C ATOM 471 C ILE A 31 4.096 -5.870 -14.813 1.00 0.00 C ATOM 472 O ILE A 31 4.170 -6.854 -14.078 1.00 0.00 O ATOM 473 CB ILE A 31 1.663 -5.609 -15.520 1.00 0.00 C ATOM 474 CG1 ILE A 31 2.018 -6.092 -16.943 1.00 0.00 C ATOM 475 CG2 ILE A 31 0.430 -4.685 -15.490 1.00 0.00 C ATOM 476 CD1 ILE A 31 0.845 -6.755 -17.669 1.00 0.00 C ATOM 0 H ILE A 31 2.858 -3.429 -16.192 1.00 0.00 H new ATOM 0 HA ILE A 31 2.583 -4.896 -13.711 1.00 0.00 H new ATOM 0 HB ILE A 31 1.405 -6.521 -14.982 1.00 0.00 H new ATOM 0 HG12 ILE A 31 2.366 -5.243 -17.531 1.00 0.00 H new ATOM 0 HG13 ILE A 31 2.845 -6.799 -16.883 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -0.392 -5.157 -16.028 1.00 0.00 H new ATOM 0 HG22 ILE A 31 0.133 -4.508 -14.456 1.00 0.00 H new ATOM 0 HG23 ILE A 31 0.676 -3.735 -15.964 1.00 0.00 H new ATOM 0 HD11 ILE A 31 1.163 -7.070 -18.663 1.00 0.00 H new ATOM 0 HD12 ILE A 31 0.511 -7.624 -17.102 1.00 0.00 H new ATOM 0 HD13 ILE A 31 0.024 -6.043 -17.760 1.00 0.00 H new ATOM 488 N HIS A 32 5.068 -5.545 -15.670 1.00 0.00 N ATOM 489 CA HIS A 32 6.283 -6.342 -15.915 1.00 0.00 C ATOM 490 C HIS A 32 7.529 -5.818 -15.172 1.00 0.00 C ATOM 491 O HIS A 32 8.441 -6.591 -14.870 1.00 0.00 O ATOM 492 CB HIS A 32 6.565 -6.374 -17.424 1.00 0.00 C ATOM 493 CG HIS A 32 5.460 -6.943 -18.282 1.00 0.00 C ATOM 494 ND1 HIS A 32 4.982 -8.232 -18.268 1.00 0.00 N ATOM 495 CD2 HIS A 32 4.839 -6.299 -19.316 1.00 0.00 C ATOM 496 CE1 HIS A 32 4.103 -8.373 -19.274 1.00 0.00 C ATOM 497 NE2 HIS A 32 3.990 -7.218 -19.970 1.00 0.00 N ATOM 0 H HIS A 32 5.034 -4.694 -16.232 1.00 0.00 H new ATOM 0 HA HIS A 32 6.089 -7.341 -15.526 1.00 0.00 H new ATOM 0 HB2 HIS A 32 6.773 -5.358 -17.758 1.00 0.00 H new ATOM 0 HB3 HIS A 32 7.470 -6.957 -17.594 1.00 0.00 H new ATOM 0 HD1 HIS A 32 5.250 -8.959 -17.605 1.00 0.00 H new ATOM 0 HD2 HIS A 32 4.975 -5.262 -19.587 1.00 0.00 H new ATOM 0 HE1 HIS A 32 3.562 -9.281 -19.496 1.00 0.00 H new ATOM 505 N THR A 33 7.575 -4.513 -14.888 1.00 0.00 N ATOM 506 CA THR A 33 8.699 -3.813 -14.230 1.00 0.00 C ATOM 507 C THR A 33 8.734 -4.029 -12.702 1.00 0.00 C ATOM 508 O THR A 33 8.010 -4.875 -12.172 1.00 0.00 O ATOM 509 CB THR A 33 8.701 -2.318 -14.626 1.00 0.00 C ATOM 510 OG1 THR A 33 7.445 -1.715 -14.401 1.00 0.00 O ATOM 511 CG2 THR A 33 9.067 -2.117 -16.097 1.00 0.00 C ATOM 0 H THR A 33 6.804 -3.885 -15.116 1.00 0.00 H new ATOM 0 HA THR A 33 9.625 -4.258 -14.593 1.00 0.00 H new ATOM 0 HB THR A 33 9.454 -1.847 -13.995 1.00 0.00 H new ATOM 0 HG1 THR A 33 6.842 -1.927 -15.144 1.00 0.00 H new ATOM 0 HG21 THR A 33 9.056 -1.053 -16.332 1.00 0.00 H new ATOM 0 HG22 THR A 33 10.063 -2.520 -16.283 1.00 0.00 H new ATOM 0 HG23 THR A 33 8.343 -2.635 -16.726 1.00 0.00 H new ATOM 519 N ASN A 34 9.600 -3.286 -11.993 1.00 0.00 N ATOM 520 CA ASN A 34 9.986 -3.451 -10.581 1.00 0.00 C ATOM 521 C ASN A 34 10.815 -4.727 -10.299 1.00 0.00 C ATOM 522 O ASN A 34 10.681 -5.753 -10.972 1.00 0.00 O ATOM 523 CB ASN A 34 8.768 -3.262 -9.649 1.00 0.00 C ATOM 524 CG ASN A 34 9.166 -3.180 -8.187 1.00 0.00 C ATOM 525 OD1 ASN A 34 9.256 -4.178 -7.489 1.00 0.00 O ATOM 526 ND2 ASN A 34 9.483 -2.005 -7.691 1.00 0.00 N ATOM 0 H ASN A 34 10.084 -2.497 -12.422 1.00 0.00 H new ATOM 0 HA ASN A 34 10.685 -2.649 -10.346 1.00 0.00 H new ATOM 0 HB2 ASN A 34 8.237 -2.353 -9.930 1.00 0.00 H new ATOM 0 HB3 ASN A 34 8.075 -4.092 -9.788 1.00 0.00 H new ATOM 0 HD21 ASN A 34 9.803 -1.928 -6.726 1.00 0.00 H new ATOM 0 HD22 ASN A 34 9.409 -1.170 -8.271 1.00 0.00 H new ATOM 533 N GLU A 35 11.703 -4.659 -9.302 1.00 0.00 N ATOM 534 CA GLU A 35 12.682 -5.712 -8.980 1.00 0.00 C ATOM 535 C GLU A 35 12.090 -6.920 -8.227 1.00 0.00 C ATOM 536 O GLU A 35 12.700 -7.992 -8.224 1.00 0.00 O ATOM 537 CB GLU A 35 13.841 -5.105 -8.172 1.00 0.00 C ATOM 538 CG GLU A 35 14.637 -4.059 -8.965 1.00 0.00 C ATOM 539 CD GLU A 35 15.840 -3.545 -8.150 1.00 0.00 C ATOM 540 OE1 GLU A 35 15.685 -2.568 -7.378 1.00 0.00 O ATOM 541 OE2 GLU A 35 16.954 -4.110 -8.279 1.00 0.00 O ATOM 0 H GLU A 35 11.766 -3.853 -8.680 1.00 0.00 H new ATOM 0 HA GLU A 35 13.036 -6.103 -9.934 1.00 0.00 H new ATOM 0 HB2 GLU A 35 13.445 -4.644 -7.268 1.00 0.00 H new ATOM 0 HB3 GLU A 35 14.513 -5.902 -7.855 1.00 0.00 H new ATOM 0 HG2 GLU A 35 14.987 -4.496 -9.900 1.00 0.00 H new ATOM 0 HG3 GLU A 35 13.987 -3.224 -9.227 1.00 0.00 H new ATOM 548 N LYS A 36 10.903 -6.786 -7.613 1.00 0.00 N ATOM 549 CA LYS A 36 10.197 -7.888 -6.932 1.00 0.00 C ATOM 550 C LYS A 36 9.805 -8.977 -7.949 1.00 0.00 C ATOM 551 O LYS A 36 9.112 -8.652 -8.915 1.00 0.00 O ATOM 552 CB LYS A 36 8.965 -7.331 -6.199 1.00 0.00 C ATOM 553 CG LYS A 36 9.356 -6.492 -4.972 1.00 0.00 C ATOM 554 CD LYS A 36 8.115 -5.900 -4.293 1.00 0.00 C ATOM 555 CE LYS A 36 8.527 -5.022 -3.105 1.00 0.00 C ATOM 556 NZ LYS A 36 7.343 -4.423 -2.436 1.00 0.00 N ATOM 0 H LYS A 36 10.399 -5.900 -7.574 1.00 0.00 H new ATOM 0 HA LYS A 36 10.856 -8.347 -6.195 1.00 0.00 H new ATOM 0 HB2 LYS A 36 8.381 -6.719 -6.886 1.00 0.00 H new ATOM 0 HB3 LYS A 36 8.326 -8.156 -5.885 1.00 0.00 H new ATOM 0 HG2 LYS A 36 9.902 -7.113 -4.262 1.00 0.00 H new ATOM 0 HG3 LYS A 36 10.027 -5.688 -5.275 1.00 0.00 H new ATOM 0 HD2 LYS A 36 7.546 -5.309 -5.011 1.00 0.00 H new ATOM 0 HD3 LYS A 36 7.461 -6.702 -3.952 1.00 0.00 H new ATOM 0 HE2 LYS A 36 9.089 -5.619 -2.387 1.00 0.00 H new ATOM 0 HE3 LYS A 36 9.191 -4.230 -3.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 7.656 -3.835 -1.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 6.821 -3.834 -3.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 6.722 -5.180 -2.086 1.00 0.00 H new ATOM 570 N PRO A 37 10.228 -10.248 -7.802 1.00 0.00 N ATOM 571 CA PRO A 37 10.085 -11.258 -8.858 1.00 0.00 C ATOM 572 C PRO A 37 8.676 -11.830 -9.047 1.00 0.00 C ATOM 573 O PRO A 37 8.280 -12.116 -10.178 1.00 0.00 O ATOM 574 CB PRO A 37 11.062 -12.373 -8.467 1.00 0.00 C ATOM 575 CG PRO A 37 11.176 -12.255 -6.949 1.00 0.00 C ATOM 576 CD PRO A 37 11.083 -10.748 -6.736 1.00 0.00 C ATOM 0 HA PRO A 37 10.294 -10.791 -9.821 1.00 0.00 H new ATOM 0 HB2 PRO A 37 10.688 -13.353 -8.763 1.00 0.00 H new ATOM 0 HB3 PRO A 37 12.030 -12.242 -8.951 1.00 0.00 H new ATOM 0 HG2 PRO A 37 10.375 -12.789 -6.438 1.00 0.00 H new ATOM 0 HG3 PRO A 37 12.117 -12.661 -6.578 1.00 0.00 H new ATOM 0 HD2 PRO A 37 10.663 -10.517 -5.757 1.00 0.00 H new ATOM 0 HD3 PRO A 37 12.069 -10.286 -6.777 1.00 0.00 H new ATOM 584 N TYR A 38 7.917 -12.013 -7.966 1.00 0.00 N ATOM 585 CA TYR A 38 6.619 -12.696 -7.998 1.00 0.00 C ATOM 586 C TYR A 38 5.495 -11.741 -8.411 1.00 0.00 C ATOM 587 O TYR A 38 4.787 -11.188 -7.567 1.00 0.00 O ATOM 588 CB TYR A 38 6.358 -13.408 -6.662 1.00 0.00 C ATOM 589 CG TYR A 38 7.345 -14.517 -6.371 1.00 0.00 C ATOM 590 CD1 TYR A 38 7.286 -15.714 -7.108 1.00 0.00 C ATOM 591 CD2 TYR A 38 8.338 -14.342 -5.391 1.00 0.00 C ATOM 592 CE1 TYR A 38 8.217 -16.741 -6.858 1.00 0.00 C ATOM 593 CE2 TYR A 38 9.273 -15.364 -5.136 1.00 0.00 C ATOM 594 CZ TYR A 38 9.215 -16.568 -5.873 1.00 0.00 C ATOM 595 OH TYR A 38 10.108 -17.567 -5.635 1.00 0.00 O ATOM 0 H TYR A 38 8.186 -11.690 -7.036 1.00 0.00 H new ATOM 0 HA TYR A 38 6.642 -13.469 -8.766 1.00 0.00 H new ATOM 0 HB2 TYR A 38 6.396 -12.676 -5.855 1.00 0.00 H new ATOM 0 HB3 TYR A 38 5.350 -13.822 -6.670 1.00 0.00 H new ATOM 0 HD1 TYR A 38 6.527 -15.845 -7.865 1.00 0.00 H new ATOM 0 HD2 TYR A 38 8.384 -13.420 -4.831 1.00 0.00 H new ATOM 0 HE1 TYR A 38 8.168 -17.662 -7.420 1.00 0.00 H new ATOM 0 HE2 TYR A 38 10.032 -15.228 -4.380 1.00 0.00 H new ATOM 0 HH TYR A 38 10.729 -17.290 -4.929 1.00 0.00 H new ATOM 605 N LYS A 39 5.348 -11.532 -9.724 1.00 0.00 N ATOM 606 CA LYS A 39 4.309 -10.678 -10.331 1.00 0.00 C ATOM 607 C LYS A 39 2.928 -11.343 -10.283 1.00 0.00 C ATOM 608 O LYS A 39 2.796 -12.543 -10.532 1.00 0.00 O ATOM 609 CB LYS A 39 4.661 -10.336 -11.792 1.00 0.00 C ATOM 610 CG LYS A 39 5.551 -9.100 -11.980 1.00 0.00 C ATOM 611 CD LYS A 39 7.011 -9.273 -11.548 1.00 0.00 C ATOM 612 CE LYS A 39 7.756 -7.974 -11.880 1.00 0.00 C ATOM 613 NZ LYS A 39 9.211 -8.076 -11.632 1.00 0.00 N ATOM 0 H LYS A 39 5.962 -11.961 -10.416 1.00 0.00 H new ATOM 0 HA LYS A 39 4.272 -9.760 -9.744 1.00 0.00 H new ATOM 0 HB2 LYS A 39 5.162 -11.195 -12.238 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.734 -10.184 -12.346 1.00 0.00 H new ATOM 0 HG2 LYS A 39 5.532 -8.815 -13.032 1.00 0.00 H new ATOM 0 HG3 LYS A 39 5.119 -8.272 -11.418 1.00 0.00 H new ATOM 0 HD2 LYS A 39 7.071 -9.485 -10.481 1.00 0.00 H new ATOM 0 HD3 LYS A 39 7.465 -10.117 -12.067 1.00 0.00 H new ATOM 0 HE2 LYS A 39 7.586 -7.719 -12.926 1.00 0.00 H new ATOM 0 HE3 LYS A 39 7.345 -7.160 -11.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 9.635 -7.127 -11.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 9.375 -8.504 -10.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 9.648 -8.669 -12.366 1.00 0.00 H new ATOM 627 N CYS A 40 1.899 -10.536 -10.036 1.00 0.00 N ATOM 628 CA CYS A 40 0.497 -10.916 -10.154 1.00 0.00 C ATOM 629 C CYS A 40 0.091 -11.065 -11.641 1.00 0.00 C ATOM 630 O CYS A 40 0.444 -10.211 -12.465 1.00 0.00 O ATOM 631 CB CYS A 40 -0.320 -9.856 -9.410 1.00 0.00 C ATOM 632 SG CYS A 40 -2.100 -10.210 -9.459 1.00 0.00 S ATOM 0 H CYS A 40 2.024 -9.568 -9.739 1.00 0.00 H new ATOM 0 HA CYS A 40 0.308 -11.892 -9.706 1.00 0.00 H new ATOM 0 HB2 CYS A 40 0.011 -9.805 -8.373 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -0.133 -8.878 -9.852 1.00 0.00 H new ATOM 637 N PRO A 41 -0.652 -12.123 -12.017 1.00 0.00 N ATOM 638 CA PRO A 41 -1.217 -12.280 -13.355 1.00 0.00 C ATOM 639 C PRO A 41 -2.469 -11.411 -13.585 1.00 0.00 C ATOM 640 O PRO A 41 -2.940 -11.328 -14.722 1.00 0.00 O ATOM 641 CB PRO A 41 -1.525 -13.778 -13.468 1.00 0.00 C ATOM 642 CG PRO A 41 -1.877 -14.176 -12.035 1.00 0.00 C ATOM 643 CD PRO A 41 -0.980 -13.273 -11.189 1.00 0.00 C ATOM 0 HA PRO A 41 -0.522 -11.941 -14.124 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -2.352 -13.968 -14.152 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -0.667 -14.338 -13.841 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -2.933 -14.010 -11.819 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -1.675 -15.231 -11.849 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -1.492 -12.962 -10.278 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -0.077 -13.801 -10.883 1.00 0.00 H new ATOM 651 N GLN A 42 -3.020 -10.774 -12.540 1.00 0.00 N ATOM 652 CA GLN A 42 -4.274 -10.009 -12.603 1.00 0.00 C ATOM 653 C GLN A 42 -4.098 -8.487 -12.440 1.00 0.00 C ATOM 654 O GLN A 42 -4.919 -7.743 -12.987 1.00 0.00 O ATOM 655 CB GLN A 42 -5.269 -10.552 -11.560 1.00 0.00 C ATOM 656 CG GLN A 42 -5.687 -12.019 -11.772 1.00 0.00 C ATOM 657 CD GLN A 42 -6.506 -12.278 -13.041 1.00 0.00 C ATOM 658 OE1 GLN A 42 -7.005 -11.387 -13.717 1.00 0.00 O ATOM 659 NE2 GLN A 42 -6.699 -13.529 -13.409 1.00 0.00 N ATOM 0 H GLN A 42 -2.598 -10.777 -11.611 1.00 0.00 H new ATOM 0 HA GLN A 42 -4.666 -10.149 -13.610 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -4.825 -10.454 -10.569 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -6.163 -9.928 -11.572 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -4.789 -12.637 -11.804 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -6.268 -12.345 -10.909 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -6.294 -14.289 -12.863 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -7.253 -13.737 -14.240 1.00 0.00 H new ATOM 668 N CYS A 43 -3.065 -7.998 -11.732 1.00 0.00 N ATOM 669 CA CYS A 43 -2.804 -6.564 -11.564 1.00 0.00 C ATOM 670 C CYS A 43 -1.296 -6.219 -11.607 1.00 0.00 C ATOM 671 O CYS A 43 -0.446 -7.077 -11.854 1.00 0.00 O ATOM 672 CB CYS A 43 -3.534 -6.087 -10.294 1.00 0.00 C ATOM 673 SG CYS A 43 -2.825 -6.789 -8.795 1.00 0.00 S ATOM 0 H CYS A 43 -2.385 -8.593 -11.259 1.00 0.00 H new ATOM 0 HA CYS A 43 -3.206 -6.010 -12.413 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -3.490 -4.999 -10.239 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -4.587 -6.361 -10.358 1.00 0.00 H new ATOM 678 N SER A 44 -0.955 -4.943 -11.396 1.00 0.00 N ATOM 679 CA SER A 44 0.427 -4.429 -11.396 1.00 0.00 C ATOM 680 C SER A 44 1.255 -4.823 -10.158 1.00 0.00 C ATOM 681 O SER A 44 2.426 -4.454 -10.044 1.00 0.00 O ATOM 682 CB SER A 44 0.413 -2.906 -11.584 1.00 0.00 C ATOM 683 OG SER A 44 -0.366 -2.285 -10.571 1.00 0.00 O ATOM 0 H SER A 44 -1.648 -4.217 -11.215 1.00 0.00 H new ATOM 0 HA SER A 44 0.931 -4.907 -12.236 1.00 0.00 H new ATOM 0 HB2 SER A 44 1.432 -2.521 -11.554 1.00 0.00 H new ATOM 0 HB3 SER A 44 0.008 -2.659 -12.565 1.00 0.00 H new ATOM 0 HG SER A 44 -0.363 -1.314 -10.705 1.00 0.00 H new ATOM 689 N TYR A 45 0.667 -5.581 -9.227 1.00 0.00 N ATOM 690 CA TYR A 45 1.298 -6.070 -8.006 1.00 0.00 C ATOM 691 C TYR A 45 2.481 -7.019 -8.268 1.00 0.00 C ATOM 692 O TYR A 45 2.453 -7.846 -9.183 1.00 0.00 O ATOM 693 CB TYR A 45 0.223 -6.772 -7.174 1.00 0.00 C ATOM 694 CG TYR A 45 0.685 -7.208 -5.794 1.00 0.00 C ATOM 695 CD1 TYR A 45 0.654 -6.274 -4.741 1.00 0.00 C ATOM 696 CD2 TYR A 45 1.143 -8.522 -5.556 1.00 0.00 C ATOM 697 CE1 TYR A 45 1.070 -6.650 -3.452 1.00 0.00 C ATOM 698 CE2 TYR A 45 1.558 -8.903 -4.264 1.00 0.00 C ATOM 699 CZ TYR A 45 1.521 -7.964 -3.206 1.00 0.00 C ATOM 700 OH TYR A 45 1.907 -8.294 -1.945 1.00 0.00 O ATOM 0 H TYR A 45 -0.304 -5.881 -9.312 1.00 0.00 H new ATOM 0 HA TYR A 45 1.720 -5.218 -7.473 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -0.630 -6.102 -7.064 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -0.128 -7.648 -7.720 1.00 0.00 H new ATOM 0 HD1 TYR A 45 0.310 -5.267 -4.924 1.00 0.00 H new ATOM 0 HD2 TYR A 45 1.175 -9.236 -6.365 1.00 0.00 H new ATOM 0 HE1 TYR A 45 1.044 -5.930 -2.647 1.00 0.00 H new ATOM 0 HE2 TYR A 45 1.904 -9.910 -4.082 1.00 0.00 H new ATOM 0 HH TYR A 45 2.237 -9.217 -1.935 1.00 0.00 H new ATOM 710 N ALA A 46 3.506 -6.925 -7.421 1.00 0.00 N ATOM 711 CA ALA A 46 4.618 -7.873 -7.348 1.00 0.00 C ATOM 712 C ALA A 46 5.116 -8.064 -5.900 1.00 0.00 C ATOM 713 O ALA A 46 5.030 -7.145 -5.082 1.00 0.00 O ATOM 714 CB ALA A 46 5.739 -7.421 -8.293 1.00 0.00 C ATOM 0 H ALA A 46 3.588 -6.164 -6.746 1.00 0.00 H new ATOM 0 HA ALA A 46 4.267 -8.852 -7.674 1.00 0.00 H new ATOM 0 HB1 ALA A 46 6.568 -8.127 -8.239 1.00 0.00 H new ATOM 0 HB2 ALA A 46 5.361 -7.383 -9.315 1.00 0.00 H new ATOM 0 HB3 ALA A 46 6.086 -6.431 -7.998 1.00 0.00 H new ATOM 720 N SER A 47 5.668 -9.245 -5.595 1.00 0.00 N ATOM 721 CA SER A 47 6.180 -9.626 -4.267 1.00 0.00 C ATOM 722 C SER A 47 7.571 -10.273 -4.315 1.00 0.00 C ATOM 723 O SER A 47 8.021 -10.756 -5.355 1.00 0.00 O ATOM 724 CB SER A 47 5.183 -10.564 -3.582 1.00 0.00 C ATOM 725 OG SER A 47 5.544 -10.742 -2.225 1.00 0.00 O ATOM 0 H SER A 47 5.775 -9.988 -6.286 1.00 0.00 H new ATOM 0 HA SER A 47 6.290 -8.707 -3.692 1.00 0.00 H new ATOM 0 HB2 SER A 47 4.177 -10.151 -3.649 1.00 0.00 H new ATOM 0 HB3 SER A 47 5.166 -11.527 -4.092 1.00 0.00 H new ATOM 0 HG SER A 47 4.739 -10.722 -1.667 1.00 0.00 H new ATOM 731 N ALA A 48 8.248 -10.300 -3.166 1.00 0.00 N ATOM 732 CA ALA A 48 9.490 -11.040 -2.939 1.00 0.00 C ATOM 733 C ALA A 48 9.264 -12.479 -2.419 1.00 0.00 C ATOM 734 O ALA A 48 10.229 -13.233 -2.284 1.00 0.00 O ATOM 735 CB ALA A 48 10.370 -10.211 -1.998 1.00 0.00 C ATOM 0 H ALA A 48 7.936 -9.790 -2.340 1.00 0.00 H new ATOM 0 HA ALA A 48 9.995 -11.180 -3.895 1.00 0.00 H new ATOM 0 HB1 ALA A 48 11.304 -10.741 -1.812 1.00 0.00 H new ATOM 0 HB2 ALA A 48 10.586 -9.246 -2.457 1.00 0.00 H new ATOM 0 HB3 ALA A 48 9.847 -10.055 -1.054 1.00 0.00 H new ATOM 741 N ILE A 49 8.010 -12.874 -2.137 1.00 0.00 N ATOM 742 CA ILE A 49 7.657 -14.185 -1.562 1.00 0.00 C ATOM 743 C ILE A 49 6.498 -14.827 -2.345 1.00 0.00 C ATOM 744 O ILE A 49 5.442 -14.217 -2.529 1.00 0.00 O ATOM 745 CB ILE A 49 7.324 -14.059 -0.051 1.00 0.00 C ATOM 746 CG1 ILE A 49 8.377 -13.217 0.714 1.00 0.00 C ATOM 747 CG2 ILE A 49 7.190 -15.460 0.577 1.00 0.00 C ATOM 748 CD1 ILE A 49 8.122 -13.083 2.220 1.00 0.00 C ATOM 0 H ILE A 49 7.198 -12.280 -2.305 1.00 0.00 H new ATOM 0 HA ILE A 49 8.522 -14.842 -1.651 1.00 0.00 H new ATOM 0 HB ILE A 49 6.373 -13.532 0.034 1.00 0.00 H new ATOM 0 HG12 ILE A 49 9.359 -13.666 0.565 1.00 0.00 H new ATOM 0 HG13 ILE A 49 8.412 -12.220 0.276 1.00 0.00 H new ATOM 0 HG21 ILE A 49 6.956 -15.363 1.637 1.00 0.00 H new ATOM 0 HG22 ILE A 49 6.390 -16.007 0.078 1.00 0.00 H new ATOM 0 HG23 ILE A 49 8.128 -16.002 0.461 1.00 0.00 H new ATOM 0 HD11 ILE A 49 8.909 -12.478 2.670 1.00 0.00 H new ATOM 0 HD12 ILE A 49 7.157 -12.604 2.384 1.00 0.00 H new ATOM 0 HD13 ILE A 49 8.118 -14.072 2.678 1.00 0.00 H new ATOM 760 N LYS A 50 6.658 -16.093 -2.753 1.00 0.00 N ATOM 761 CA LYS A 50 5.640 -16.850 -3.510 1.00 0.00 C ATOM 762 C LYS A 50 4.381 -17.137 -2.680 1.00 0.00 C ATOM 763 O LYS A 50 3.266 -17.016 -3.181 1.00 0.00 O ATOM 764 CB LYS A 50 6.278 -18.143 -4.052 1.00 0.00 C ATOM 765 CG LYS A 50 5.448 -18.764 -5.184 1.00 0.00 C ATOM 766 CD LYS A 50 6.129 -20.021 -5.739 1.00 0.00 C ATOM 767 CE LYS A 50 5.293 -20.615 -6.880 1.00 0.00 C ATOM 768 NZ LYS A 50 5.920 -21.842 -7.438 1.00 0.00 N ATOM 0 H LYS A 50 7.505 -16.630 -2.567 1.00 0.00 H new ATOM 0 HA LYS A 50 5.303 -16.237 -4.346 1.00 0.00 H new ATOM 0 HB2 LYS A 50 7.282 -17.927 -4.416 1.00 0.00 H new ATOM 0 HB3 LYS A 50 6.381 -18.864 -3.241 1.00 0.00 H new ATOM 0 HG2 LYS A 50 4.454 -19.018 -4.814 1.00 0.00 H new ATOM 0 HG3 LYS A 50 5.314 -18.035 -5.984 1.00 0.00 H new ATOM 0 HD2 LYS A 50 7.127 -19.774 -6.100 1.00 0.00 H new ATOM 0 HD3 LYS A 50 6.251 -20.758 -4.945 1.00 0.00 H new ATOM 0 HE2 LYS A 50 4.293 -20.851 -6.515 1.00 0.00 H new ATOM 0 HE3 LYS A 50 5.177 -19.874 -7.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 5.328 -22.216 -8.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 6.864 -21.612 -7.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 6.008 -22.558 -6.689 1.00 0.00 H new ATOM 782 N ALA A 51 4.551 -17.437 -1.390 1.00 0.00 N ATOM 783 CA ALA A 51 3.453 -17.627 -0.439 1.00 0.00 C ATOM 784 C ALA A 51 2.635 -16.339 -0.198 1.00 0.00 C ATOM 785 O ALA A 51 1.421 -16.408 -0.006 1.00 0.00 O ATOM 786 CB ALA A 51 4.038 -18.175 0.868 1.00 0.00 C ATOM 0 H ALA A 51 5.473 -17.557 -0.970 1.00 0.00 H new ATOM 0 HA ALA A 51 2.745 -18.340 -0.862 1.00 0.00 H new ATOM 0 HB1 ALA A 51 3.236 -18.324 1.591 1.00 0.00 H new ATOM 0 HB2 ALA A 51 4.533 -19.126 0.674 1.00 0.00 H new ATOM 0 HB3 ALA A 51 4.761 -17.465 1.269 1.00 0.00 H new ATOM 792 N ASN A 52 3.262 -15.159 -0.277 1.00 0.00 N ATOM 793 CA ASN A 52 2.551 -13.879 -0.226 1.00 0.00 C ATOM 794 C ASN A 52 1.723 -13.644 -1.502 1.00 0.00 C ATOM 795 O ASN A 52 0.558 -13.255 -1.403 1.00 0.00 O ATOM 796 CB ASN A 52 3.560 -12.753 0.040 1.00 0.00 C ATOM 797 CG ASN A 52 2.906 -11.386 -0.012 1.00 0.00 C ATOM 798 OD1 ASN A 52 2.930 -10.717 -1.032 1.00 0.00 O ATOM 799 ND2 ASN A 52 2.288 -10.939 1.058 1.00 0.00 N ATOM 0 H ASN A 52 4.273 -15.066 -0.378 1.00 0.00 H new ATOM 0 HA ASN A 52 1.833 -13.894 0.594 1.00 0.00 H new ATOM 0 HB2 ASN A 52 4.018 -12.899 1.018 1.00 0.00 H new ATOM 0 HB3 ASN A 52 4.361 -12.801 -0.698 1.00 0.00 H new ATOM 0 HD21 ASN A 52 1.826 -10.030 1.038 1.00 0.00 H new ATOM 0 HD22 ASN A 52 2.270 -11.501 1.909 1.00 0.00 H new ATOM 806 N LEU A 53 2.258 -13.967 -2.689 1.00 0.00 N ATOM 807 CA LEU A 53 1.482 -13.940 -3.934 1.00 0.00 C ATOM 808 C LEU A 53 0.298 -14.927 -3.896 1.00 0.00 C ATOM 809 O LEU A 53 -0.795 -14.589 -4.349 1.00 0.00 O ATOM 810 CB LEU A 53 2.416 -14.180 -5.137 1.00 0.00 C ATOM 811 CG LEU A 53 1.687 -14.207 -6.496 1.00 0.00 C ATOM 812 CD1 LEU A 53 0.944 -12.906 -6.801 1.00 0.00 C ATOM 813 CD2 LEU A 53 2.687 -14.441 -7.623 1.00 0.00 C ATOM 0 H LEU A 53 3.230 -14.251 -2.811 1.00 0.00 H new ATOM 0 HA LEU A 53 1.037 -12.952 -4.047 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.175 -13.398 -5.158 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.938 -15.126 -4.997 1.00 0.00 H new ATOM 0 HG LEU A 53 0.960 -15.016 -6.431 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.452 -12.987 -7.770 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.197 -12.724 -6.028 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.653 -12.078 -6.822 1.00 0.00 H new ATOM 0 HD21 LEU A 53 2.162 -14.458 -8.578 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.424 -13.638 -7.629 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.192 -15.395 -7.469 1.00 0.00 H new ATOM 825 N ASN A 54 0.462 -16.104 -3.287 1.00 0.00 N ATOM 826 CA ASN A 54 -0.611 -17.092 -3.106 1.00 0.00 C ATOM 827 C ASN A 54 -1.800 -16.534 -2.281 1.00 0.00 C ATOM 828 O ASN A 54 -2.958 -16.866 -2.547 1.00 0.00 O ATOM 829 CB ASN A 54 0.022 -18.349 -2.472 1.00 0.00 C ATOM 830 CG ASN A 54 -0.803 -19.621 -2.597 1.00 0.00 C ATOM 831 OD1 ASN A 54 -1.712 -19.753 -3.405 1.00 0.00 O ATOM 832 ND2 ASN A 54 -0.497 -20.622 -1.805 1.00 0.00 N ATOM 0 H ASN A 54 1.356 -16.404 -2.899 1.00 0.00 H new ATOM 0 HA ASN A 54 -1.050 -17.348 -4.070 1.00 0.00 H new ATOM 0 HB2 ASN A 54 0.995 -18.519 -2.933 1.00 0.00 H new ATOM 0 HB3 ASN A 54 0.201 -18.153 -1.415 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -1.015 -21.498 -1.867 1.00 0.00 H new ATOM 0 HD22 ASN A 54 0.259 -20.524 -1.127 1.00 0.00 H new ATOM 839 N VAL A 55 -1.542 -15.633 -1.325 1.00 0.00 N ATOM 840 CA VAL A 55 -2.576 -14.913 -0.548 1.00 0.00 C ATOM 841 C VAL A 55 -3.091 -13.666 -1.283 1.00 0.00 C ATOM 842 O VAL A 55 -4.272 -13.337 -1.188 1.00 0.00 O ATOM 843 CB VAL A 55 -2.055 -14.575 0.863 1.00 0.00 C ATOM 844 CG1 VAL A 55 -3.068 -13.795 1.712 1.00 0.00 C ATOM 845 CG2 VAL A 55 -1.716 -15.857 1.633 1.00 0.00 C ATOM 0 H VAL A 55 -0.592 -15.374 -1.060 1.00 0.00 H new ATOM 0 HA VAL A 55 -3.433 -15.578 -0.440 1.00 0.00 H new ATOM 0 HB VAL A 55 -1.173 -13.954 0.704 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -2.639 -13.589 2.693 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -3.310 -12.854 1.217 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -3.976 -14.387 1.830 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.350 -15.599 2.627 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -2.610 -16.474 1.725 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.947 -16.411 1.096 1.00 0.00 H new ATOM 855 N HIS A 56 -2.259 -13.002 -2.087 1.00 0.00 N ATOM 856 CA HIS A 56 -2.692 -11.899 -2.955 1.00 0.00 C ATOM 857 C HIS A 56 -3.669 -12.362 -4.056 1.00 0.00 C ATOM 858 O HIS A 56 -4.662 -11.690 -4.328 1.00 0.00 O ATOM 859 CB HIS A 56 -1.455 -11.211 -3.545 1.00 0.00 C ATOM 860 CG HIS A 56 -1.817 -10.112 -4.505 1.00 0.00 C ATOM 861 ND1 HIS A 56 -2.190 -8.833 -4.171 1.00 0.00 N ATOM 862 CD2 HIS A 56 -1.947 -10.235 -5.860 1.00 0.00 C ATOM 863 CE1 HIS A 56 -2.552 -8.196 -5.292 1.00 0.00 C ATOM 864 NE2 HIS A 56 -2.434 -9.016 -6.365 1.00 0.00 N ATOM 0 H HIS A 56 -1.263 -13.212 -2.157 1.00 0.00 H new ATOM 0 HA HIS A 56 -3.249 -11.182 -2.351 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -0.850 -10.800 -2.737 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -0.840 -11.951 -4.058 1.00 0.00 H new ATOM 0 HD1 HIS A 56 -2.191 -8.437 -3.231 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -1.716 -11.115 -6.442 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -2.891 -7.171 -5.335 1.00 0.00 H new ATOM 872 N LEU A 57 -3.456 -13.539 -4.650 1.00 0.00 N ATOM 873 CA LEU A 57 -4.379 -14.146 -5.622 1.00 0.00 C ATOM 874 C LEU A 57 -5.759 -14.454 -5.017 1.00 0.00 C ATOM 875 O LEU A 57 -6.773 -14.337 -5.704 1.00 0.00 O ATOM 876 CB LEU A 57 -3.746 -15.432 -6.159 1.00 0.00 C ATOM 877 CG LEU A 57 -2.553 -15.209 -7.102 1.00 0.00 C ATOM 878 CD1 LEU A 57 -1.817 -16.534 -7.271 1.00 0.00 C ATOM 879 CD2 LEU A 57 -2.996 -14.716 -8.477 1.00 0.00 C ATOM 0 H LEU A 57 -2.628 -14.107 -4.469 1.00 0.00 H new ATOM 0 HA LEU A 57 -4.543 -13.428 -6.426 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.418 -16.040 -5.316 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.509 -16.004 -6.687 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.909 -14.447 -6.663 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.966 -16.395 -7.938 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.464 -16.881 -6.300 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.494 -17.275 -7.696 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -2.121 -14.572 -9.111 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -3.657 -15.454 -8.933 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -3.527 -13.770 -8.371 1.00 0.00 H new ATOM 891 N ARG A 58 -5.821 -14.756 -3.712 1.00 0.00 N ATOM 892 CA ARG A 58 -7.081 -14.909 -2.954 1.00 0.00 C ATOM 893 C ARG A 58 -7.899 -13.608 -2.823 1.00 0.00 C ATOM 894 O ARG A 58 -9.065 -13.672 -2.434 1.00 0.00 O ATOM 895 CB ARG A 58 -6.814 -15.571 -1.590 1.00 0.00 C ATOM 896 CG ARG A 58 -6.450 -17.056 -1.746 1.00 0.00 C ATOM 897 CD ARG A 58 -5.879 -17.632 -0.444 1.00 0.00 C ATOM 898 NE ARG A 58 -5.817 -19.108 -0.473 1.00 0.00 N ATOM 899 CZ ARG A 58 -5.024 -19.867 -1.209 1.00 0.00 C ATOM 900 NH1 ARG A 58 -4.143 -19.365 -2.024 1.00 0.00 N ATOM 901 NH2 ARG A 58 -5.102 -21.166 -1.142 1.00 0.00 N ATOM 0 H ARG A 58 -4.988 -14.904 -3.141 1.00 0.00 H new ATOM 0 HA ARG A 58 -7.716 -15.572 -3.542 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -6.003 -15.048 -1.083 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -7.698 -15.476 -0.959 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -7.336 -17.621 -2.038 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -5.720 -17.171 -2.547 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -4.880 -17.230 -0.277 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -6.496 -17.311 0.396 1.00 0.00 H new ATOM 0 HE ARG A 58 -6.461 -19.598 0.147 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -4.047 -18.353 -2.111 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -3.548 -19.983 -2.576 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -5.779 -21.605 -0.518 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -4.486 -21.744 -1.714 1.00 0.00 H new ATOM 915 N LYS A 59 -7.343 -12.446 -3.202 1.00 0.00 N ATOM 916 CA LYS A 59 -8.078 -11.169 -3.355 1.00 0.00 C ATOM 917 C LYS A 59 -8.775 -11.048 -4.724 1.00 0.00 C ATOM 918 O LYS A 59 -9.710 -10.264 -4.868 1.00 0.00 O ATOM 919 CB LYS A 59 -7.141 -9.966 -3.127 1.00 0.00 C ATOM 920 CG LYS A 59 -6.383 -10.022 -1.792 1.00 0.00 C ATOM 921 CD LYS A 59 -5.530 -8.761 -1.586 1.00 0.00 C ATOM 922 CE LYS A 59 -4.709 -8.813 -0.288 1.00 0.00 C ATOM 923 NZ LYS A 59 -5.561 -8.716 0.930 1.00 0.00 N ATOM 0 H LYS A 59 -6.349 -12.361 -3.416 1.00 0.00 H new ATOM 0 HA LYS A 59 -8.857 -11.165 -2.593 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -6.420 -9.918 -3.943 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -7.727 -9.048 -3.165 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -7.093 -10.122 -0.971 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -5.744 -10.905 -1.770 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -4.856 -8.639 -2.434 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -6.179 -7.886 -1.567 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -4.142 -9.743 -0.258 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -3.985 -7.998 -0.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -4.960 -8.756 1.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -6.083 -7.817 0.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -6.235 -9.508 0.946 1.00 0.00 H new ATOM 937 N HIS A 60 -8.341 -11.834 -5.715 1.00 0.00 N ATOM 938 CA HIS A 60 -8.846 -11.850 -7.098 1.00 0.00 C ATOM 939 C HIS A 60 -9.920 -12.931 -7.367 1.00 0.00 C ATOM 940 O HIS A 60 -10.238 -13.227 -8.521 1.00 0.00 O ATOM 941 CB HIS A 60 -7.657 -11.942 -8.073 1.00 0.00 C ATOM 942 CG HIS A 60 -6.749 -10.737 -8.051 1.00 0.00 C ATOM 943 ND1 HIS A 60 -7.112 -9.459 -8.406 1.00 0.00 N ATOM 944 CD2 HIS A 60 -5.412 -10.713 -7.759 1.00 0.00 C ATOM 945 CE1 HIS A 60 -6.032 -8.671 -8.331 1.00 0.00 C ATOM 946 NE2 HIS A 60 -4.947 -9.391 -7.960 1.00 0.00 N ATOM 0 H HIS A 60 -7.591 -12.510 -5.571 1.00 0.00 H new ATOM 0 HA HIS A 60 -9.374 -10.911 -7.264 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -7.071 -12.829 -7.833 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -8.040 -12.077 -9.085 1.00 0.00 H new ATOM 0 HD1 HIS A 60 -8.048 -9.161 -8.681 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -4.817 -11.553 -7.433 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -6.027 -7.611 -8.537 1.00 0.00 H new ATOM 954 N THR A 61 -10.512 -13.520 -6.320 1.00 0.00 N ATOM 955 CA THR A 61 -11.592 -14.530 -6.417 1.00 0.00 C ATOM 956 C THR A 61 -12.951 -13.956 -6.852 1.00 0.00 C ATOM 957 O THR A 61 -13.864 -14.714 -7.189 1.00 0.00 O ATOM 958 CB THR A 61 -11.767 -15.266 -5.078 1.00 0.00 C ATOM 959 OG1 THR A 61 -11.947 -14.328 -4.036 1.00 0.00 O ATOM 960 CG2 THR A 61 -10.545 -16.124 -4.744 1.00 0.00 C ATOM 0 H THR A 61 -10.253 -13.308 -5.357 1.00 0.00 H new ATOM 0 HA THR A 61 -11.271 -15.219 -7.198 1.00 0.00 H new ATOM 0 HB THR A 61 -12.640 -15.912 -5.172 1.00 0.00 H new ATOM 0 HG1 THR A 61 -11.089 -14.163 -3.592 1.00 0.00 H new ATOM 0 HG21 THR A 61 -10.704 -16.629 -3.791 1.00 0.00 H new ATOM 0 HG22 THR A 61 -10.397 -16.867 -5.528 1.00 0.00 H new ATOM 0 HG23 THR A 61 -9.662 -15.488 -4.674 1.00 0.00 H new ATOM 968 N GLY A 62 -13.088 -12.627 -6.882 1.00 0.00 N ATOM 969 CA GLY A 62 -14.255 -11.889 -7.372 1.00 0.00 C ATOM 970 C GLY A 62 -13.902 -10.459 -7.799 1.00 0.00 C ATOM 971 O GLY A 62 -12.730 -10.075 -7.820 1.00 0.00 O ATOM 0 H GLY A 62 -12.351 -12.006 -6.548 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -14.690 -12.421 -8.218 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -15.015 -11.856 -6.591 1.00 0.00 H new ATOM 975 N GLU A 63 -14.917 -9.662 -8.135 1.00 0.00 N ATOM 976 CA GLU A 63 -14.785 -8.261 -8.561 1.00 0.00 C ATOM 977 C GLU A 63 -15.748 -7.353 -7.775 1.00 0.00 C ATOM 978 O GLU A 63 -16.913 -7.705 -7.564 1.00 0.00 O ATOM 979 CB GLU A 63 -15.011 -8.170 -10.080 1.00 0.00 C ATOM 980 CG GLU A 63 -14.769 -6.762 -10.640 1.00 0.00 C ATOM 981 CD GLU A 63 -14.837 -6.760 -12.180 1.00 0.00 C ATOM 982 OE1 GLU A 63 -15.953 -6.664 -12.745 1.00 0.00 O ATOM 983 OE2 GLU A 63 -13.772 -6.850 -12.839 1.00 0.00 O ATOM 0 H GLU A 63 -15.886 -9.980 -8.119 1.00 0.00 H new ATOM 0 HA GLU A 63 -13.778 -7.906 -8.343 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -14.348 -8.874 -10.583 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -16.032 -8.475 -10.309 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -15.514 -6.074 -10.239 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -13.793 -6.400 -10.315 1.00 0.00 H new ATOM 990 N LYS A 64 -15.261 -6.186 -7.331 1.00 0.00 N ATOM 991 CA LYS A 64 -16.027 -5.235 -6.512 1.00 0.00 C ATOM 992 C LYS A 64 -16.892 -4.267 -7.327 1.00 0.00 C ATOM 993 O LYS A 64 -16.518 -3.818 -8.412 1.00 0.00 O ATOM 994 CB LYS A 64 -15.096 -4.451 -5.566 1.00 0.00 C ATOM 995 CG LYS A 64 -14.726 -5.257 -4.313 1.00 0.00 C ATOM 996 CD LYS A 64 -13.932 -4.395 -3.324 1.00 0.00 C ATOM 997 CE LYS A 64 -13.856 -5.079 -1.953 1.00 0.00 C ATOM 998 NZ LYS A 64 -13.491 -4.110 -0.889 1.00 0.00 N ATOM 0 H LYS A 64 -14.312 -5.872 -7.533 1.00 0.00 H new ATOM 0 HA LYS A 64 -16.717 -5.843 -5.927 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -14.187 -4.176 -6.100 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -15.583 -3.523 -5.267 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -15.632 -5.628 -3.833 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -14.136 -6.129 -4.597 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -12.926 -4.224 -3.708 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -14.405 -3.418 -3.223 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -14.817 -5.536 -1.718 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -13.120 -5.882 -1.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -13.397 -4.610 0.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -12.587 -3.655 -1.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -14.233 -3.385 -0.810 1.00 0.00 H new ATOM 1012 N PHE A 65 -18.011 -3.891 -6.718 1.00 0.00 N ATOM 1013 CA PHE A 65 -18.929 -2.820 -7.107 1.00 0.00 C ATOM 1014 C PHE A 65 -18.942 -1.774 -5.980 1.00 0.00 C ATOM 1015 O PHE A 65 -18.882 -2.146 -4.802 1.00 0.00 O ATOM 1016 CB PHE A 65 -20.330 -3.403 -7.359 1.00 0.00 C ATOM 1017 CG PHE A 65 -20.403 -4.494 -8.412 1.00 0.00 C ATOM 1018 CD1 PHE A 65 -20.144 -5.834 -8.065 1.00 0.00 C ATOM 1019 CD2 PHE A 65 -20.743 -4.173 -9.742 1.00 0.00 C ATOM 1020 CE1 PHE A 65 -20.229 -6.848 -9.036 1.00 0.00 C ATOM 1021 CE2 PHE A 65 -20.834 -5.186 -10.712 1.00 0.00 C ATOM 1022 CZ PHE A 65 -20.583 -6.525 -10.359 1.00 0.00 C ATOM 0 H PHE A 65 -18.327 -4.364 -5.871 1.00 0.00 H new ATOM 0 HA PHE A 65 -18.606 -2.343 -8.032 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -20.713 -3.802 -6.420 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -20.995 -2.591 -7.655 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -19.879 -6.084 -7.048 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -20.934 -3.146 -10.016 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -20.023 -7.873 -8.766 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -21.097 -4.937 -11.729 1.00 0.00 H new ATOM 0 HZ PHE A 65 -20.662 -7.304 -11.103 1.00 0.00 H new ATOM 1032 N ALA A 66 -19.005 -0.481 -6.314 1.00 0.00 N ATOM 1033 CA ALA A 66 -18.817 0.622 -5.364 1.00 0.00 C ATOM 1034 C ALA A 66 -20.009 1.594 -5.303 1.00 0.00 C ATOM 1035 O ALA A 66 -20.616 1.920 -6.329 1.00 0.00 O ATOM 1036 CB ALA A 66 -17.517 1.355 -5.722 1.00 0.00 C ATOM 0 H ALA A 66 -19.191 -0.166 -7.266 1.00 0.00 H new ATOM 0 HA ALA A 66 -18.751 0.196 -4.363 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -17.360 2.179 -5.026 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -16.679 0.661 -5.658 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -17.587 1.746 -6.737 1.00 0.00 H new ATOM 1042 N CYS A 67 -20.309 2.087 -4.098 1.00 0.00 N ATOM 1043 CA CYS A 67 -21.361 3.063 -3.827 1.00 0.00 C ATOM 1044 C CYS A 67 -21.051 4.440 -4.446 1.00 0.00 C ATOM 1045 O CYS A 67 -19.902 4.892 -4.490 1.00 0.00 O ATOM 1046 CB CYS A 67 -21.564 3.098 -2.306 1.00 0.00 C ATOM 1047 SG CYS A 67 -23.004 4.105 -1.843 1.00 0.00 S ATOM 0 H CYS A 67 -19.806 1.806 -3.256 1.00 0.00 H new ATOM 0 HA CYS A 67 -22.296 2.769 -4.305 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -21.695 2.082 -1.933 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -20.670 3.500 -1.829 1.00 0.00 H new ATOM 1052 N ASP A 68 -22.099 5.109 -4.929 1.00 0.00 N ATOM 1053 CA ASP A 68 -22.041 6.472 -5.476 1.00 0.00 C ATOM 1054 C ASP A 68 -22.237 7.554 -4.390 1.00 0.00 C ATOM 1055 O ASP A 68 -22.034 8.742 -4.646 1.00 0.00 O ATOM 1056 CB ASP A 68 -23.082 6.590 -6.601 1.00 0.00 C ATOM 1057 CG ASP A 68 -22.912 7.875 -7.435 1.00 0.00 C ATOM 1058 OD1 ASP A 68 -21.831 8.062 -8.045 1.00 0.00 O ATOM 1059 OD2 ASP A 68 -23.875 8.673 -7.535 1.00 0.00 O ATOM 0 H ASP A 68 -23.038 4.710 -4.953 1.00 0.00 H new ATOM 0 HA ASP A 68 -21.045 6.650 -5.881 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -23.003 5.723 -7.257 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -24.082 6.572 -6.168 1.00 0.00 H new ATOM 1064 N TYR A 69 -22.621 7.144 -3.173 1.00 0.00 N ATOM 1065 CA TYR A 69 -23.056 8.025 -2.083 1.00 0.00 C ATOM 1066 C TYR A 69 -22.170 7.942 -0.821 1.00 0.00 C ATOM 1067 O TYR A 69 -22.181 8.874 -0.012 1.00 0.00 O ATOM 1068 CB TYR A 69 -24.513 7.685 -1.743 1.00 0.00 C ATOM 1069 CG TYR A 69 -25.491 7.756 -2.901 1.00 0.00 C ATOM 1070 CD1 TYR A 69 -26.063 8.990 -3.267 1.00 0.00 C ATOM 1071 CD2 TYR A 69 -25.835 6.585 -3.605 1.00 0.00 C ATOM 1072 CE1 TYR A 69 -26.980 9.055 -4.333 1.00 0.00 C ATOM 1073 CE2 TYR A 69 -26.749 6.646 -4.674 1.00 0.00 C ATOM 1074 CZ TYR A 69 -27.328 7.880 -5.038 1.00 0.00 C ATOM 1075 OH TYR A 69 -28.226 7.926 -6.062 1.00 0.00 O ATOM 0 H TYR A 69 -22.637 6.158 -2.913 1.00 0.00 H new ATOM 0 HA TYR A 69 -22.963 9.054 -2.431 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -24.544 6.679 -1.326 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -24.853 8.365 -0.962 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -25.798 9.888 -2.729 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -25.397 5.639 -3.324 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -27.418 10.002 -4.612 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -27.007 5.748 -5.216 1.00 0.00 H new ATOM 0 HH TYR A 69 -28.345 7.027 -6.433 1.00 0.00 H new ATOM 1085 N CYS A 70 -21.403 6.855 -0.648 1.00 0.00 N ATOM 1086 CA CYS A 70 -20.420 6.664 0.430 1.00 0.00 C ATOM 1087 C CYS A 70 -19.217 5.794 -0.020 1.00 0.00 C ATOM 1088 O CYS A 70 -19.038 5.514 -1.209 1.00 0.00 O ATOM 1089 CB CYS A 70 -21.129 6.109 1.679 1.00 0.00 C ATOM 1090 SG CYS A 70 -21.600 4.376 1.462 1.00 0.00 S ATOM 0 H CYS A 70 -21.452 6.055 -1.279 1.00 0.00 H new ATOM 0 HA CYS A 70 -19.989 7.631 0.688 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -20.471 6.202 2.543 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -22.017 6.705 1.889 1.00 0.00 H new ATOM 1095 N SER A 71 -18.379 5.376 0.934 1.00 0.00 N ATOM 1096 CA SER A 71 -17.170 4.560 0.713 1.00 0.00 C ATOM 1097 C SER A 71 -17.429 3.043 0.591 1.00 0.00 C ATOM 1098 O SER A 71 -16.477 2.272 0.442 1.00 0.00 O ATOM 1099 CB SER A 71 -16.150 4.825 1.833 1.00 0.00 C ATOM 1100 OG SER A 71 -15.855 6.212 1.938 1.00 0.00 O ATOM 0 H SER A 71 -18.525 5.602 1.918 1.00 0.00 H new ATOM 0 HA SER A 71 -16.777 4.872 -0.255 1.00 0.00 H new ATOM 0 HB2 SER A 71 -16.544 4.461 2.782 1.00 0.00 H new ATOM 0 HB3 SER A 71 -15.234 4.269 1.634 1.00 0.00 H new ATOM 0 HG SER A 71 -15.206 6.355 2.658 1.00 0.00 H new ATOM 1106 N PHE A 72 -18.686 2.587 0.675 1.00 0.00 N ATOM 1107 CA PHE A 72 -19.053 1.163 0.656 1.00 0.00 C ATOM 1108 C PHE A 72 -18.684 0.444 -0.658 1.00 0.00 C ATOM 1109 O PHE A 72 -18.837 0.991 -1.755 1.00 0.00 O ATOM 1110 CB PHE A 72 -20.557 1.035 0.937 1.00 0.00 C ATOM 1111 CG PHE A 72 -21.124 -0.374 0.885 1.00 0.00 C ATOM 1112 CD1 PHE A 72 -21.115 -1.185 2.035 1.00 0.00 C ATOM 1113 CD2 PHE A 72 -21.681 -0.865 -0.311 1.00 0.00 C ATOM 1114 CE1 PHE A 72 -21.665 -2.479 1.989 1.00 0.00 C ATOM 1115 CE2 PHE A 72 -22.230 -2.159 -0.358 1.00 0.00 C ATOM 1116 CZ PHE A 72 -22.225 -2.966 0.794 1.00 0.00 C ATOM 0 H PHE A 72 -19.491 3.208 0.760 1.00 0.00 H new ATOM 0 HA PHE A 72 -18.472 0.667 1.433 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -20.759 1.451 1.924 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -21.095 1.649 0.215 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -20.685 -0.814 2.954 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -21.687 -0.246 -1.196 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -21.657 -3.100 2.873 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -22.655 -2.533 -1.278 1.00 0.00 H new ATOM 0 HZ PHE A 72 -22.650 -3.958 0.761 1.00 0.00 H new ATOM 1126 N THR A 73 -18.268 -0.821 -0.540 1.00 0.00 N ATOM 1127 CA THR A 73 -18.067 -1.758 -1.660 1.00 0.00 C ATOM 1128 C THR A 73 -18.592 -3.160 -1.330 1.00 0.00 C ATOM 1129 O THR A 73 -18.584 -3.578 -0.169 1.00 0.00 O ATOM 1130 CB THR A 73 -16.592 -1.872 -2.089 1.00 0.00 C ATOM 1131 OG1 THR A 73 -15.755 -2.261 -1.017 1.00 0.00 O ATOM 1132 CG2 THR A 73 -16.012 -0.576 -2.649 1.00 0.00 C ATOM 0 H THR A 73 -18.054 -1.239 0.366 1.00 0.00 H new ATOM 0 HA THR A 73 -18.637 -1.338 -2.489 1.00 0.00 H new ATOM 0 HB THR A 73 -16.609 -2.630 -2.872 1.00 0.00 H new ATOM 0 HG1 THR A 73 -15.014 -1.625 -0.933 1.00 0.00 H new ATOM 0 HG21 THR A 73 -14.971 -0.735 -2.929 1.00 0.00 H new ATOM 0 HG22 THR A 73 -16.582 -0.272 -3.527 1.00 0.00 H new ATOM 0 HG23 THR A 73 -16.069 0.205 -1.891 1.00 0.00 H new ATOM 1140 N CYS A 74 -19.026 -3.905 -2.350 1.00 0.00 N ATOM 1141 CA CYS A 74 -19.422 -5.316 -2.237 1.00 0.00 C ATOM 1142 C CYS A 74 -19.060 -6.119 -3.501 1.00 0.00 C ATOM 1143 O CYS A 74 -18.796 -5.540 -4.554 1.00 0.00 O ATOM 1144 CB CYS A 74 -20.925 -5.387 -1.922 1.00 0.00 C ATOM 1145 SG CYS A 74 -21.327 -7.013 -1.218 1.00 0.00 S ATOM 0 H CYS A 74 -19.115 -3.539 -3.298 1.00 0.00 H new ATOM 0 HA CYS A 74 -18.865 -5.778 -1.422 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -21.197 -4.599 -1.220 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -21.505 -5.219 -2.830 1.00 0.00 H new ATOM 0 HG CYS A 74 -21.822 -6.859 -0.026 1.00 0.00 H new ATOM 1151 N LEU A 75 -19.066 -7.452 -3.414 1.00 0.00 N ATOM 1152 CA LEU A 75 -18.732 -8.373 -4.514 1.00 0.00 C ATOM 1153 C LEU A 75 -19.924 -8.723 -5.432 1.00 0.00 C ATOM 1154 O LEU A 75 -19.778 -9.551 -6.336 1.00 0.00 O ATOM 1155 CB LEU A 75 -18.041 -9.628 -3.937 1.00 0.00 C ATOM 1156 CG LEU A 75 -16.689 -9.368 -3.243 1.00 0.00 C ATOM 1157 CD1 LEU A 75 -16.166 -10.666 -2.629 1.00 0.00 C ATOM 1158 CD2 LEU A 75 -15.625 -8.846 -4.212 1.00 0.00 C ATOM 0 H LEU A 75 -19.310 -7.939 -2.552 1.00 0.00 H new ATOM 0 HA LEU A 75 -18.039 -7.853 -5.175 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -18.715 -10.098 -3.221 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -17.886 -10.343 -4.745 1.00 0.00 H new ATOM 0 HG LEU A 75 -16.869 -8.610 -2.480 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -15.210 -10.478 -2.140 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -16.883 -11.036 -1.896 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -16.032 -11.411 -3.413 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -14.692 -8.679 -3.673 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -15.461 -9.579 -5.002 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -15.963 -7.908 -4.652 1.00 0.00 H new ATOM 1170 N SER A 76 -21.093 -8.100 -5.240 1.00 0.00 N ATOM 1171 CA SER A 76 -22.234 -8.195 -6.166 1.00 0.00 C ATOM 1172 C SER A 76 -22.974 -6.864 -6.342 1.00 0.00 C ATOM 1173 O SER A 76 -23.089 -6.055 -5.413 1.00 0.00 O ATOM 1174 CB SER A 76 -23.202 -9.315 -5.753 1.00 0.00 C ATOM 1175 OG SER A 76 -24.050 -8.931 -4.681 1.00 0.00 O ATOM 0 H SER A 76 -21.278 -7.509 -4.430 1.00 0.00 H new ATOM 0 HA SER A 76 -21.814 -8.449 -7.139 1.00 0.00 H new ATOM 0 HB2 SER A 76 -23.812 -9.599 -6.611 1.00 0.00 H new ATOM 0 HB3 SER A 76 -22.630 -10.196 -5.462 1.00 0.00 H new ATOM 0 HG SER A 76 -24.648 -9.674 -4.455 1.00 0.00 H new ATOM 1181 N LYS A 77 -23.523 -6.652 -7.545 1.00 0.00 N ATOM 1182 CA LYS A 77 -24.369 -5.494 -7.875 1.00 0.00 C ATOM 1183 C LYS A 77 -25.720 -5.545 -7.152 1.00 0.00 C ATOM 1184 O LYS A 77 -26.252 -4.502 -6.785 1.00 0.00 O ATOM 1185 CB LYS A 77 -24.521 -5.422 -9.407 1.00 0.00 C ATOM 1186 CG LYS A 77 -25.297 -4.207 -9.942 1.00 0.00 C ATOM 1187 CD LYS A 77 -24.673 -2.854 -9.552 1.00 0.00 C ATOM 1188 CE LYS A 77 -25.432 -1.661 -10.152 1.00 0.00 C ATOM 1189 NZ LYS A 77 -25.273 -1.564 -11.629 1.00 0.00 N ATOM 0 H LYS A 77 -23.391 -7.290 -8.330 1.00 0.00 H new ATOM 0 HA LYS A 77 -23.891 -4.580 -7.523 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -23.526 -5.420 -9.853 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -25.021 -6.329 -9.747 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -25.352 -4.272 -11.029 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -26.320 -4.247 -9.568 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -24.660 -2.763 -8.466 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -23.636 -2.826 -9.886 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -26.491 -1.750 -9.910 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -25.076 -0.740 -9.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -25.762 -0.714 -11.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -24.262 -1.502 -11.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -25.683 -2.407 -12.078 1.00 0.00 H new ATOM 1203 N GLY A 78 -26.242 -6.745 -6.880 1.00 0.00 N ATOM 1204 CA GLY A 78 -27.477 -6.952 -6.115 1.00 0.00 C ATOM 1205 C GLY A 78 -27.364 -6.475 -4.663 1.00 0.00 C ATOM 1206 O GLY A 78 -28.214 -5.717 -4.194 1.00 0.00 O ATOM 0 H GLY A 78 -25.811 -7.616 -7.191 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -28.295 -6.422 -6.604 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -27.732 -8.012 -6.126 1.00 0.00 H new ATOM 1210 N HIS A 79 -26.277 -6.826 -3.965 1.00 0.00 N ATOM 1211 CA HIS A 79 -26.037 -6.349 -2.597 1.00 0.00 C ATOM 1212 C HIS A 79 -25.764 -4.834 -2.565 1.00 0.00 C ATOM 1213 O HIS A 79 -26.196 -4.150 -1.634 1.00 0.00 O ATOM 1214 CB HIS A 79 -24.894 -7.156 -1.969 1.00 0.00 C ATOM 1215 CG HIS A 79 -24.774 -7.014 -0.467 1.00 0.00 C ATOM 1216 ND1 HIS A 79 -25.047 -5.897 0.294 1.00 0.00 N ATOM 1217 CD2 HIS A 79 -24.379 -7.995 0.402 1.00 0.00 C ATOM 1218 CE1 HIS A 79 -24.823 -6.195 1.585 1.00 0.00 C ATOM 1219 NE2 HIS A 79 -24.413 -7.471 1.704 1.00 0.00 N ATOM 0 H HIS A 79 -25.548 -7.441 -4.326 1.00 0.00 H new ATOM 0 HA HIS A 79 -26.937 -6.507 -2.003 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -25.035 -8.209 -2.211 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -23.954 -6.847 -2.426 1.00 0.00 H new ATOM 0 HD1 HIS A 79 -25.365 -4.996 -0.063 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -24.091 -9.000 0.132 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -24.953 -5.509 2.409 1.00 0.00 H new ATOM 1227 N LEU A 80 -25.114 -4.279 -3.598 1.00 0.00 N ATOM 1228 CA LEU A 80 -24.939 -2.831 -3.734 1.00 0.00 C ATOM 1229 C LEU A 80 -26.276 -2.103 -3.962 1.00 0.00 C ATOM 1230 O LEU A 80 -26.517 -1.065 -3.346 1.00 0.00 O ATOM 1231 CB LEU A 80 -23.927 -2.539 -4.856 1.00 0.00 C ATOM 1232 CG LEU A 80 -23.679 -1.033 -5.064 1.00 0.00 C ATOM 1233 CD1 LEU A 80 -23.068 -0.374 -3.827 1.00 0.00 C ATOM 1234 CD2 LEU A 80 -22.729 -0.816 -6.233 1.00 0.00 C ATOM 0 H LEU A 80 -24.698 -4.819 -4.357 1.00 0.00 H new ATOM 0 HA LEU A 80 -24.544 -2.441 -2.796 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -22.982 -3.029 -4.622 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -24.289 -2.974 -5.787 1.00 0.00 H new ATOM 0 HG LEU A 80 -24.650 -0.578 -5.262 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -22.911 0.687 -4.020 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -23.744 -0.492 -2.980 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -22.113 -0.846 -3.597 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -22.560 0.252 -6.371 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -21.779 -1.310 -6.027 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -23.166 -1.235 -7.140 1.00 0.00 H new ATOM 1246 N LYS A 81 -27.175 -2.654 -4.785 1.00 0.00 N ATOM 1247 CA LYS A 81 -28.529 -2.115 -4.987 1.00 0.00 C ATOM 1248 C LYS A 81 -29.313 -2.087 -3.673 1.00 0.00 C ATOM 1249 O LYS A 81 -29.895 -1.058 -3.338 1.00 0.00 O ATOM 1250 CB LYS A 81 -29.237 -2.917 -6.093 1.00 0.00 C ATOM 1251 CG LYS A 81 -30.613 -2.336 -6.457 1.00 0.00 C ATOM 1252 CD LYS A 81 -31.229 -3.105 -7.637 1.00 0.00 C ATOM 1253 CE LYS A 81 -32.584 -2.529 -8.079 1.00 0.00 C ATOM 1254 NZ LYS A 81 -33.669 -2.807 -7.099 1.00 0.00 N ATOM 0 H LYS A 81 -26.984 -3.492 -5.334 1.00 0.00 H new ATOM 0 HA LYS A 81 -28.467 -1.078 -5.318 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -28.608 -2.935 -6.983 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -29.358 -3.950 -5.767 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -31.277 -2.390 -5.594 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -30.512 -1.282 -6.716 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -30.538 -3.084 -8.480 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -31.358 -4.150 -7.356 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -32.490 -1.452 -8.216 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -32.856 -2.951 -9.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -34.561 -2.398 -7.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -33.780 -3.835 -6.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -33.425 -2.382 -6.181 1.00 0.00 H new ATOM 1268 N VAL A 82 -29.256 -3.163 -2.881 1.00 0.00 N ATOM 1269 CA VAL A 82 -29.860 -3.206 -1.533 1.00 0.00 C ATOM 1270 C VAL A 82 -29.224 -2.164 -0.604 1.00 0.00 C ATOM 1271 O VAL A 82 -29.958 -1.430 0.054 1.00 0.00 O ATOM 1272 CB VAL A 82 -29.786 -4.625 -0.932 1.00 0.00 C ATOM 1273 CG1 VAL A 82 -30.283 -4.682 0.520 1.00 0.00 C ATOM 1274 CG2 VAL A 82 -30.655 -5.599 -1.740 1.00 0.00 C ATOM 0 H VAL A 82 -28.792 -4.030 -3.150 1.00 0.00 H new ATOM 0 HA VAL A 82 -30.915 -2.950 -1.633 1.00 0.00 H new ATOM 0 HB VAL A 82 -28.733 -4.904 -0.965 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -30.208 -5.704 0.890 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -29.672 -4.026 1.140 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -31.322 -4.356 0.562 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -30.590 -6.595 -1.301 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -31.691 -5.262 -1.723 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -30.301 -5.633 -2.770 1.00 0.00 H new ATOM 1284 N HIS A 83 -27.894 -2.017 -0.589 1.00 0.00 N ATOM 1285 CA HIS A 83 -27.217 -0.967 0.187 1.00 0.00 C ATOM 1286 C HIS A 83 -27.727 0.438 -0.184 1.00 0.00 C ATOM 1287 O HIS A 83 -28.093 1.213 0.698 1.00 0.00 O ATOM 1288 CB HIS A 83 -25.692 -1.079 0.004 1.00 0.00 C ATOM 1289 CG HIS A 83 -24.933 0.111 0.541 1.00 0.00 C ATOM 1290 ND1 HIS A 83 -24.553 0.316 1.845 1.00 0.00 N ATOM 1291 CD2 HIS A 83 -24.533 1.210 -0.170 1.00 0.00 C ATOM 1292 CE1 HIS A 83 -23.945 1.509 1.927 1.00 0.00 C ATOM 1293 NE2 HIS A 83 -23.915 2.116 0.716 1.00 0.00 N ATOM 0 H HIS A 83 -27.258 -2.619 -1.112 1.00 0.00 H new ATOM 0 HA HIS A 83 -27.453 -1.116 1.241 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -25.339 -1.981 0.504 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -25.469 -1.194 -1.057 1.00 0.00 H new ATOM 0 HD1 HIS A 83 -24.707 -0.329 2.620 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -24.668 1.358 -1.231 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -23.535 1.928 2.834 1.00 0.00 H new ATOM 1301 N ILE A 84 -27.812 0.764 -1.477 1.00 0.00 N ATOM 1302 CA ILE A 84 -28.274 2.079 -1.944 1.00 0.00 C ATOM 1303 C ILE A 84 -29.746 2.319 -1.568 1.00 0.00 C ATOM 1304 O ILE A 84 -30.076 3.365 -1.006 1.00 0.00 O ATOM 1305 CB ILE A 84 -27.963 2.249 -3.452 1.00 0.00 C ATOM 1306 CG1 ILE A 84 -26.429 2.318 -3.662 1.00 0.00 C ATOM 1307 CG2 ILE A 84 -28.628 3.515 -4.016 1.00 0.00 C ATOM 1308 CD1 ILE A 84 -25.974 2.276 -5.126 1.00 0.00 C ATOM 0 H ILE A 84 -27.563 0.125 -2.232 1.00 0.00 H new ATOM 0 HA ILE A 84 -27.721 2.865 -1.430 1.00 0.00 H new ATOM 0 HB ILE A 84 -28.367 1.389 -3.986 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -26.056 3.236 -3.207 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -25.966 1.487 -3.129 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -28.392 3.608 -5.076 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -29.708 3.446 -3.889 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -28.255 4.390 -3.483 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -24.886 2.330 -5.171 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -26.311 1.346 -5.585 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -26.401 3.122 -5.664 1.00 0.00 H new ATOM 1320 N GLU A 85 -30.623 1.339 -1.788 1.00 0.00 N ATOM 1321 CA GLU A 85 -32.059 1.455 -1.497 1.00 0.00 C ATOM 1322 C GLU A 85 -32.401 1.458 0.009 1.00 0.00 C ATOM 1323 O GLU A 85 -33.432 2.016 0.390 1.00 0.00 O ATOM 1324 CB GLU A 85 -32.814 0.318 -2.210 1.00 0.00 C ATOM 1325 CG GLU A 85 -32.823 0.431 -3.743 1.00 0.00 C ATOM 1326 CD GLU A 85 -33.542 1.695 -4.242 1.00 0.00 C ATOM 1327 OE1 GLU A 85 -34.791 1.770 -4.149 1.00 0.00 O ATOM 1328 OE2 GLU A 85 -32.858 2.617 -4.747 1.00 0.00 O ATOM 0 H GLU A 85 -30.358 0.434 -2.176 1.00 0.00 H new ATOM 0 HA GLU A 85 -32.376 2.428 -1.872 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -32.363 -0.634 -1.930 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -33.843 0.300 -1.852 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -31.796 0.434 -4.109 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -33.309 -0.449 -4.165 1.00 0.00 H new ATOM 1335 N ARG A 86 -31.557 0.872 0.873 1.00 0.00 N ATOM 1336 CA ARG A 86 -31.767 0.819 2.336 1.00 0.00 C ATOM 1337 C ARG A 86 -31.050 1.929 3.114 1.00 0.00 C ATOM 1338 O ARG A 86 -31.583 2.384 4.128 1.00 0.00 O ATOM 1339 CB ARG A 86 -31.359 -0.565 2.880 1.00 0.00 C ATOM 1340 CG ARG A 86 -32.220 -1.740 2.374 1.00 0.00 C ATOM 1341 CD ARG A 86 -33.699 -1.678 2.782 1.00 0.00 C ATOM 1342 NE ARG A 86 -33.881 -1.726 4.247 1.00 0.00 N ATOM 1343 CZ ARG A 86 -35.022 -1.624 4.905 1.00 0.00 C ATOM 1344 NH1 ARG A 86 -36.163 -1.462 4.297 1.00 0.00 N ATOM 1345 NH2 ARG A 86 -35.040 -1.685 6.206 1.00 0.00 N ATOM 0 H ARG A 86 -30.696 0.414 0.575 1.00 0.00 H new ATOM 0 HA ARG A 86 -32.832 0.987 2.493 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -30.319 -0.753 2.611 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -31.407 -0.540 3.969 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -32.159 -1.775 1.286 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -31.794 -2.671 2.747 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -34.142 -0.761 2.393 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -34.235 -2.510 2.325 1.00 0.00 H new ATOM 0 HE ARG A 86 -33.039 -1.851 4.809 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -36.195 -1.410 3.279 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -37.024 -1.387 4.839 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -34.170 -1.812 6.723 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -35.924 -1.606 6.708 1.00 0.00 H new ATOM 1359 N VAL A 87 -29.867 2.364 2.668 1.00 0.00 N ATOM 1360 CA VAL A 87 -29.023 3.344 3.387 1.00 0.00 C ATOM 1361 C VAL A 87 -29.183 4.765 2.838 1.00 0.00 C ATOM 1362 O VAL A 87 -29.236 5.715 3.623 1.00 0.00 O ATOM 1363 CB VAL A 87 -27.538 2.910 3.389 1.00 0.00 C ATOM 1364 CG1 VAL A 87 -26.652 3.861 4.206 1.00 0.00 C ATOM 1365 CG2 VAL A 87 -27.370 1.507 3.994 1.00 0.00 C ATOM 0 H VAL A 87 -29.458 2.047 1.789 1.00 0.00 H new ATOM 0 HA VAL A 87 -29.372 3.362 4.419 1.00 0.00 H new ATOM 0 HB VAL A 87 -27.229 2.924 2.344 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -25.620 3.512 4.176 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -26.709 4.864 3.784 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -26.998 3.882 5.240 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -26.316 1.229 3.982 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -27.733 1.508 5.022 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -27.942 0.787 3.408 1.00 0.00 H new ATOM 1375 N HIS A 88 -29.282 4.931 1.513 1.00 0.00 N ATOM 1376 CA HIS A 88 -29.260 6.250 0.859 1.00 0.00 C ATOM 1377 C HIS A 88 -30.631 6.719 0.340 1.00 0.00 C ATOM 1378 O HIS A 88 -30.856 7.929 0.234 1.00 0.00 O ATOM 1379 CB HIS A 88 -28.171 6.258 -0.221 1.00 0.00 C ATOM 1380 CG HIS A 88 -26.800 5.969 0.341 1.00 0.00 C ATOM 1381 ND1 HIS A 88 -26.092 6.755 1.221 1.00 0.00 N ATOM 1382 CD2 HIS A 88 -26.029 4.872 0.079 1.00 0.00 C ATOM 1383 CE1 HIS A 88 -24.916 6.161 1.475 1.00 0.00 C ATOM 1384 NE2 HIS A 88 -24.817 4.998 0.789 1.00 0.00 N ATOM 0 H HIS A 88 -29.380 4.153 0.860 1.00 0.00 H new ATOM 0 HA HIS A 88 -29.012 6.993 1.617 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -28.412 5.516 -0.982 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -28.161 7.229 -0.715 1.00 0.00 H new ATOM 0 HD1 HIS A 88 -26.408 7.641 1.615 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -26.302 4.048 -0.563 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -24.156 6.555 2.133 1.00 0.00 H new ATOM 1392 N LYS A 89 -31.569 5.799 0.066 1.00 0.00 N ATOM 1393 CA LYS A 89 -32.984 6.111 -0.203 1.00 0.00 C ATOM 1394 C LYS A 89 -33.818 6.008 1.083 1.00 0.00 C ATOM 1395 O LYS A 89 -33.484 5.254 2.001 1.00 0.00 O ATOM 1396 CB LYS A 89 -33.571 5.245 -1.333 1.00 0.00 C ATOM 1397 CG LYS A 89 -33.231 5.732 -2.753 1.00 0.00 C ATOM 1398 CD LYS A 89 -31.768 5.506 -3.163 1.00 0.00 C ATOM 1399 CE LYS A 89 -31.463 5.919 -4.611 1.00 0.00 C ATOM 1400 NZ LYS A 89 -32.280 5.166 -5.598 1.00 0.00 N ATOM 0 H LYS A 89 -31.364 4.801 0.024 1.00 0.00 H new ATOM 0 HA LYS A 89 -33.028 7.142 -0.553 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -33.209 4.224 -1.216 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -34.655 5.213 -1.223 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -33.879 5.221 -3.465 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -33.456 6.796 -2.824 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -31.120 6.068 -2.490 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -31.523 4.452 -3.036 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -31.649 6.987 -4.728 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -30.405 5.755 -4.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -31.914 5.339 -6.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -32.230 4.149 -5.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -33.269 5.482 -5.543 1.00 0.00 H new ATOM 1414 N LYS A 90 -34.912 6.771 1.139 1.00 0.00 N ATOM 1415 CA LYS A 90 -35.882 6.786 2.253 1.00 0.00 C ATOM 1416 C LYS A 90 -36.847 5.594 2.187 1.00 0.00 C ATOM 1417 O LYS A 90 -37.131 5.070 1.108 1.00 0.00 O ATOM 1418 CB LYS A 90 -36.645 8.123 2.280 1.00 0.00 C ATOM 1419 CG LYS A 90 -35.728 9.318 2.592 1.00 0.00 C ATOM 1420 CD LYS A 90 -36.534 10.624 2.676 1.00 0.00 C ATOM 1421 CE LYS A 90 -35.671 11.827 3.083 1.00 0.00 C ATOM 1422 NZ LYS A 90 -34.703 12.222 2.025 1.00 0.00 N ATOM 0 H LYS A 90 -35.161 7.418 0.391 1.00 0.00 H new ATOM 0 HA LYS A 90 -35.324 6.688 3.184 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -37.128 8.282 1.316 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -37.436 8.071 3.028 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -35.209 9.146 3.535 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -34.965 9.407 1.819 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -36.996 10.824 1.709 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -37.343 10.502 3.397 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -36.319 12.673 3.311 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -35.127 11.586 3.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -34.146 13.038 2.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -34.065 11.426 1.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -35.220 12.479 1.160 1.00 0.00 H new ATOM 1436 N ILE A 91 -37.375 5.188 3.343 1.00 0.00 N ATOM 1437 CA ILE A 91 -38.381 4.127 3.477 1.00 0.00 C ATOM 1438 C ILE A 91 -39.764 4.603 2.993 1.00 0.00 C ATOM 1439 O ILE A 91 -40.139 5.768 3.169 1.00 0.00 O ATOM 1440 CB ILE A 91 -38.382 3.566 4.921 1.00 0.00 C ATOM 1441 CG1 ILE A 91 -39.190 2.253 5.004 1.00 0.00 C ATOM 1442 CG2 ILE A 91 -38.874 4.601 5.954 1.00 0.00 C ATOM 1443 CD1 ILE A 91 -39.003 1.491 6.322 1.00 0.00 C ATOM 0 H ILE A 91 -37.109 5.598 4.238 1.00 0.00 H new ATOM 0 HA ILE A 91 -38.116 3.296 2.823 1.00 0.00 H new ATOM 0 HB ILE A 91 -37.347 3.341 5.178 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -40.248 2.480 4.874 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -38.899 1.606 4.177 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -38.856 4.158 6.950 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -38.222 5.474 5.933 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -39.893 4.903 5.710 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -39.602 0.581 6.304 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -37.952 1.231 6.446 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -39.322 2.119 7.154 1.00 0.00 H new ATOM 1455 N LYS A 92 -40.514 3.687 2.374 1.00 0.00 N ATOM 1456 CA LYS A 92 -41.867 3.888 1.821 1.00 0.00 C ATOM 1457 C LYS A 92 -42.745 2.644 2.030 1.00 0.00 C ATOM 1458 O LYS A 92 -43.854 2.788 2.592 1.00 0.00 O ATOM 1459 CB LYS A 92 -41.748 4.286 0.338 1.00 0.00 C ATOM 1460 CG LYS A 92 -43.102 4.693 -0.270 1.00 0.00 C ATOM 1461 CD LYS A 92 -43.004 5.089 -1.752 1.00 0.00 C ATOM 1462 CE LYS A 92 -42.179 6.368 -1.961 1.00 0.00 C ATOM 1463 NZ LYS A 92 -42.154 6.773 -3.392 1.00 0.00 N ATOM 1464 OXT LYS A 92 -42.308 1.529 1.658 1.00 0.00 O ATOM 0 H LYS A 92 -40.181 2.733 2.235 1.00 0.00 H new ATOM 0 HA LYS A 92 -42.365 4.698 2.354 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -41.046 5.114 0.242 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -41.335 3.451 -0.228 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -43.803 3.865 -0.167 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -43.511 5.529 0.297 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -42.552 4.272 -2.315 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -44.007 5.237 -2.153 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -42.599 7.175 -1.361 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -41.160 6.206 -1.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -41.589 7.640 -3.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -41.731 6.012 -3.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -43.125 6.951 -3.719 1.00 0.00 H new TER 1478 LYS A 92 HETATM 1479 ZN ZN A 101 3.496 -6.842 -21.780 1.00 0.00 ZN HETATM 1480 ZN ZN A 102 -3.127 -8.830 -8.136 1.00 0.00 ZN HETATM 1481 ZN ZN A 103 -23.354 3.889 0.286 1.00 0.00 ZN