USER MOD reduce.3.24.130724 H: found=0, std=0, add=600, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 598 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 NoAdj-H: A 67 HIS HD1 : A 67 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 36:sc= 0.946 USER MOD Single : A 3 SER OG : rot 34:sc= 0.537 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 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 25:sc= 1.03 USER MOD Single : A 15 LYS NZ :NH3+ 142:sc= -0.667 (180deg=-3.47!) USER MOD Single : A 26 MET CE :methyl -108:sc= -0.87 (180deg=-2.67) USER MOD Single : A 29 GLN : amide:sc= -0.213 X(o=-0.21,f=-0.23) USER MOD Single : A 34 ASN : amide:sc= -0.865 X(o=-0.87,f=-1) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ -136:sc= -1.08 (180deg=-1.67) USER MOD Single : A 42 THR OG1 : rot -39:sc= 0.0462 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 CYS SG : rot -50:sc= -3.43! USER MOD Single : A 50 SER OG : rot 150:sc= -0.0978 USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=-0.075) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 MET CE :methyl 150:sc= -0.0926 (180deg=-0.946) USER MOD Single : A 68 THR OG1 : rot -51:sc= 0.541 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ -157:sc= 0.169 (180deg=0.0515) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 149:sc= -0.0946 (180deg=-0.948) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -59.812 4.722 39.161 1.00 0.00 N ATOM 2 CA GLY A 1 -59.000 5.910 38.970 1.00 0.00 C ATOM 3 C GLY A 1 -57.798 5.653 38.082 1.00 0.00 C ATOM 4 O GLY A 1 -56.882 4.925 38.461 1.00 0.00 O ATOM 0 H1 GLY A 1 -60.620 4.949 39.775 1.00 0.00 H new ATOM 0 H2 GLY A 1 -60.160 4.387 38.240 1.00 0.00 H new ATOM 0 H3 GLY A 1 -59.238 3.977 39.606 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -59.612 6.698 38.530 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -58.661 6.274 39.940 1.00 0.00 H new ATOM 8 N SER A 2 -57.803 6.252 36.895 1.00 0.00 N ATOM 9 CA SER A 2 -56.708 6.081 35.948 1.00 0.00 C ATOM 10 C SER A 2 -56.755 7.152 34.863 1.00 0.00 C ATOM 11 O SER A 2 -57.706 7.931 34.784 1.00 0.00 O ATOM 12 CB SER A 2 -56.770 4.691 35.311 1.00 0.00 C ATOM 13 OG SER A 2 -56.068 3.740 36.093 1.00 0.00 O ATOM 0 H SER A 2 -58.553 6.860 36.567 1.00 0.00 H new ATOM 0 HA SER A 2 -55.770 6.182 36.493 1.00 0.00 H new ATOM 0 HB2 SER A 2 -57.810 4.382 35.204 1.00 0.00 H new ATOM 0 HB3 SER A 2 -56.344 4.728 34.308 1.00 0.00 H new ATOM 0 HG SER A 2 -56.181 3.951 37.043 1.00 0.00 H new ATOM 19 N SER A 3 -55.722 7.186 34.028 1.00 0.00 N ATOM 20 CA SER A 3 -55.642 8.164 32.949 1.00 0.00 C ATOM 21 C SER A 3 -54.707 7.680 31.845 1.00 0.00 C ATOM 22 O SER A 3 -53.939 6.738 32.035 1.00 0.00 O ATOM 23 CB SER A 3 -55.158 9.511 33.488 1.00 0.00 C ATOM 24 OG SER A 3 -56.245 10.300 33.939 1.00 0.00 O ATOM 0 H SER A 3 -54.928 6.547 34.078 1.00 0.00 H new ATOM 0 HA SER A 3 -56.640 8.286 32.528 1.00 0.00 H new ATOM 0 HB2 SER A 3 -54.458 9.348 34.308 1.00 0.00 H new ATOM 0 HB3 SER A 3 -54.616 10.045 32.708 1.00 0.00 H new ATOM 0 HG SER A 3 -56.937 9.718 34.317 1.00 0.00 H new ATOM 30 N GLY A 4 -54.779 8.332 30.688 1.00 0.00 N ATOM 31 CA GLY A 4 -53.935 7.955 29.570 1.00 0.00 C ATOM 32 C GLY A 4 -53.524 9.145 28.727 1.00 0.00 C ATOM 33 O GLY A 4 -53.826 10.289 29.066 1.00 0.00 O ATOM 0 H GLY A 4 -55.407 9.115 30.506 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -53.043 7.454 29.945 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -54.465 7.236 28.945 1.00 0.00 H new ATOM 37 N SER A 5 -52.830 8.877 27.625 1.00 0.00 N ATOM 38 CA SER A 5 -52.371 9.935 26.734 1.00 0.00 C ATOM 39 C SER A 5 -51.748 9.350 25.470 1.00 0.00 C ATOM 40 O SER A 5 -51.334 8.191 25.449 1.00 0.00 O ATOM 41 CB SER A 5 -51.357 10.830 27.449 1.00 0.00 C ATOM 42 OG SER A 5 -50.111 10.170 27.598 1.00 0.00 O ATOM 0 H SER A 5 -52.574 7.935 27.328 1.00 0.00 H new ATOM 0 HA SER A 5 -53.235 10.534 26.448 1.00 0.00 H new ATOM 0 HB2 SER A 5 -51.219 11.752 26.884 1.00 0.00 H new ATOM 0 HB3 SER A 5 -51.743 11.111 28.429 1.00 0.00 H new ATOM 0 HG SER A 5 -49.479 10.763 28.056 1.00 0.00 H new ATOM 48 N SER A 6 -51.685 10.160 24.419 1.00 0.00 N ATOM 49 CA SER A 6 -51.116 9.723 23.149 1.00 0.00 C ATOM 50 C SER A 6 -50.621 10.915 22.336 1.00 0.00 C ATOM 51 O SER A 6 -50.794 12.066 22.733 1.00 0.00 O ATOM 52 CB SER A 6 -52.154 8.938 22.344 1.00 0.00 C ATOM 53 OG SER A 6 -53.255 9.759 21.994 1.00 0.00 O ATOM 0 H SER A 6 -52.021 11.123 24.421 1.00 0.00 H new ATOM 0 HA SER A 6 -50.267 9.074 23.364 1.00 0.00 H new ATOM 0 HB2 SER A 6 -51.692 8.539 21.441 1.00 0.00 H new ATOM 0 HB3 SER A 6 -52.503 8.086 22.927 1.00 0.00 H new ATOM 0 HG SER A 6 -53.903 9.235 21.479 1.00 0.00 H new ATOM 59 N GLY A 7 -50.002 10.628 21.194 1.00 0.00 N ATOM 60 CA GLY A 7 -49.490 11.686 20.343 1.00 0.00 C ATOM 61 C GLY A 7 -47.995 11.882 20.496 1.00 0.00 C ATOM 62 O GLY A 7 -47.515 13.012 20.595 1.00 0.00 O ATOM 0 H GLY A 7 -49.846 9.683 20.844 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -49.718 11.453 19.303 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -50.002 12.619 20.581 1.00 0.00 H new ATOM 66 N THR A 8 -47.254 10.778 20.518 1.00 0.00 N ATOM 67 CA THR A 8 -45.805 10.833 20.664 1.00 0.00 C ATOM 68 C THR A 8 -45.107 10.488 19.353 1.00 0.00 C ATOM 69 O THR A 8 -44.180 11.180 18.930 1.00 0.00 O ATOM 70 CB THR A 8 -45.314 9.871 21.762 1.00 0.00 C ATOM 71 OG1 THR A 8 -46.066 10.075 22.964 1.00 0.00 O ATOM 72 CG2 THR A 8 -43.834 10.081 22.043 1.00 0.00 C ATOM 0 H THR A 8 -47.634 9.835 20.437 1.00 0.00 H new ATOM 0 HA THR A 8 -45.555 11.855 20.948 1.00 0.00 H new ATOM 0 HB THR A 8 -45.460 8.849 21.411 1.00 0.00 H new ATOM 0 HG1 THR A 8 -45.749 9.459 23.657 1.00 0.00 H new ATOM 0 HG21 THR A 8 -43.510 9.391 22.822 1.00 0.00 H new ATOM 0 HG22 THR A 8 -43.261 9.897 21.134 1.00 0.00 H new ATOM 0 HG23 THR A 8 -43.669 11.106 22.375 1.00 0.00 H new ATOM 80 N THR A 9 -45.558 9.415 18.712 1.00 0.00 N ATOM 81 CA THR A 9 -44.977 8.978 17.449 1.00 0.00 C ATOM 82 C THR A 9 -44.522 10.168 16.613 1.00 0.00 C ATOM 83 O THR A 9 -45.338 10.852 15.993 1.00 0.00 O ATOM 84 CB THR A 9 -45.977 8.141 16.630 1.00 0.00 C ATOM 85 OG1 THR A 9 -46.474 7.057 17.423 1.00 0.00 O ATOM 86 CG2 THR A 9 -45.322 7.596 15.370 1.00 0.00 C ATOM 0 H THR A 9 -46.325 8.832 19.047 1.00 0.00 H new ATOM 0 HA THR A 9 -44.114 8.359 17.695 1.00 0.00 H new ATOM 0 HB THR A 9 -46.805 8.787 16.339 1.00 0.00 H new ATOM 0 HG1 THR A 9 -47.111 6.531 16.895 1.00 0.00 H new ATOM 0 HG21 THR A 9 -46.048 7.008 14.808 1.00 0.00 H new ATOM 0 HG22 THR A 9 -44.971 8.425 14.755 1.00 0.00 H new ATOM 0 HG23 THR A 9 -44.477 6.964 15.643 1.00 0.00 H new ATOM 94 N LEU A 10 -43.216 10.410 16.597 1.00 0.00 N ATOM 95 CA LEU A 10 -42.652 11.519 15.835 1.00 0.00 C ATOM 96 C LEU A 10 -41.189 11.256 15.494 1.00 0.00 C ATOM 97 O LEU A 10 -40.444 10.700 16.300 1.00 0.00 O ATOM 98 CB LEU A 10 -42.778 12.823 16.624 1.00 0.00 C ATOM 99 CG LEU A 10 -42.709 14.112 15.806 1.00 0.00 C ATOM 100 CD1 LEU A 10 -44.001 14.324 15.033 1.00 0.00 C ATOM 101 CD2 LEU A 10 -42.424 15.303 16.709 1.00 0.00 C ATOM 0 H LEU A 10 -42.527 9.853 17.103 1.00 0.00 H new ATOM 0 HA LEU A 10 -43.212 11.610 14.904 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -43.726 12.808 17.162 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -41.986 12.849 17.373 1.00 0.00 H new ATOM 0 HG LEU A 10 -41.892 14.021 15.090 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -43.933 15.247 14.457 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -44.162 13.485 14.357 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -44.835 14.393 15.731 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -42.378 16.212 16.109 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -43.218 15.396 17.449 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -41.471 15.155 17.216 1.00 0.00 H new ATOM 113 N ALA A 11 -40.784 11.663 14.295 1.00 0.00 N ATOM 114 CA ALA A 11 -39.409 11.475 13.850 1.00 0.00 C ATOM 115 C ALA A 11 -39.099 12.352 12.641 1.00 0.00 C ATOM 116 O ALA A 11 -39.932 12.513 11.750 1.00 0.00 O ATOM 117 CB ALA A 11 -39.155 10.012 13.521 1.00 0.00 C ATOM 0 H ALA A 11 -41.388 12.125 13.615 1.00 0.00 H new ATOM 0 HA ALA A 11 -38.747 11.773 14.663 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -38.124 9.887 13.190 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -39.327 9.404 14.409 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -39.832 9.695 12.728 1.00 0.00 H new ATOM 123 N SER A 12 -37.896 12.917 12.618 1.00 0.00 N ATOM 124 CA SER A 12 -37.478 13.782 11.520 1.00 0.00 C ATOM 125 C SER A 12 -35.972 14.018 11.558 1.00 0.00 C ATOM 126 O SER A 12 -35.461 14.693 12.452 1.00 0.00 O ATOM 127 CB SER A 12 -38.218 15.119 11.587 1.00 0.00 C ATOM 128 OG SER A 12 -37.821 15.865 12.725 1.00 0.00 O ATOM 0 H SER A 12 -37.194 12.792 13.347 1.00 0.00 H new ATOM 0 HA SER A 12 -37.726 13.284 10.582 1.00 0.00 H new ATOM 0 HB2 SER A 12 -38.018 15.695 10.683 1.00 0.00 H new ATOM 0 HB3 SER A 12 -39.293 14.942 11.621 1.00 0.00 H new ATOM 0 HG SER A 12 -36.922 15.589 13.000 1.00 0.00 H new ATOM 134 N ILE A 13 -35.267 13.457 10.582 1.00 0.00 N ATOM 135 CA ILE A 13 -33.819 13.607 10.502 1.00 0.00 C ATOM 136 C ILE A 13 -33.353 13.686 9.052 1.00 0.00 C ATOM 137 O ILE A 13 -33.986 13.131 8.155 1.00 0.00 O ATOM 138 CB ILE A 13 -33.093 12.441 11.199 1.00 0.00 C ATOM 139 CG1 ILE A 13 -33.469 11.111 10.542 1.00 0.00 C ATOM 140 CG2 ILE A 13 -33.429 12.418 12.683 1.00 0.00 C ATOM 141 CD1 ILE A 13 -32.711 10.834 9.262 1.00 0.00 C ATOM 0 H ILE A 13 -35.675 12.894 9.835 1.00 0.00 H new ATOM 0 HA ILE A 13 -33.570 14.537 11.012 1.00 0.00 H new ATOM 0 HB ILE A 13 -32.018 12.587 11.092 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -33.283 10.301 11.247 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -34.538 11.109 10.329 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -32.908 11.588 13.161 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -33.116 13.356 13.142 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -34.504 12.293 12.811 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -33.028 9.875 8.852 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -32.916 11.624 8.539 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -31.642 10.803 9.472 1.00 0.00 H new ATOM 153 N GLY A 14 -32.241 14.380 8.830 1.00 0.00 N ATOM 154 CA GLY A 14 -31.708 14.519 7.488 1.00 0.00 C ATOM 155 C GLY A 14 -30.476 13.666 7.262 1.00 0.00 C ATOM 156 O GLY A 14 -29.814 13.253 8.215 1.00 0.00 O ATOM 0 H GLY A 14 -31.700 14.849 9.556 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -32.475 14.242 6.765 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -31.461 15.565 7.305 1.00 0.00 H new ATOM 160 N LYS A 15 -30.165 13.400 5.998 1.00 0.00 N ATOM 161 CA LYS A 15 -29.004 12.591 5.649 1.00 0.00 C ATOM 162 C LYS A 15 -28.203 13.243 4.527 1.00 0.00 C ATOM 163 O LYS A 15 -28.723 13.478 3.436 1.00 0.00 O ATOM 164 CB LYS A 15 -29.443 11.187 5.227 1.00 0.00 C ATOM 165 CG LYS A 15 -30.525 11.183 4.161 1.00 0.00 C ATOM 166 CD LYS A 15 -31.909 11.332 4.770 1.00 0.00 C ATOM 167 CE LYS A 15 -32.508 9.981 5.128 1.00 0.00 C ATOM 168 NZ LYS A 15 -31.975 9.461 6.417 1.00 0.00 N ATOM 0 H LYS A 15 -30.702 13.734 5.197 1.00 0.00 H new ATOM 0 HA LYS A 15 -28.367 12.517 6.530 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -28.576 10.641 4.855 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -29.806 10.650 6.103 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -30.347 11.996 3.457 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -30.474 10.254 3.594 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -31.850 11.953 5.664 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -32.564 11.847 4.067 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -33.592 10.071 5.193 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -32.295 9.267 4.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -32.737 8.985 6.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -31.209 8.783 6.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -31.606 10.251 6.984 1.00 0.00 H new ATOM 182 N ASP A 16 -26.936 13.533 4.801 1.00 0.00 N ATOM 183 CA ASP A 16 -26.063 14.156 3.813 1.00 0.00 C ATOM 184 C ASP A 16 -24.598 13.859 4.118 1.00 0.00 C ATOM 185 O ASP A 16 -24.048 14.347 5.106 1.00 0.00 O ATOM 186 CB ASP A 16 -26.293 15.668 3.779 1.00 0.00 C ATOM 187 CG ASP A 16 -27.763 16.028 3.703 1.00 0.00 C ATOM 188 OD1 ASP A 16 -28.393 15.734 2.665 1.00 0.00 O ATOM 189 OD2 ASP A 16 -28.285 16.605 4.680 1.00 0.00 O ATOM 0 H ASP A 16 -26.490 13.347 5.699 1.00 0.00 H new ATOM 0 HA ASP A 16 -26.304 13.737 2.836 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -25.857 16.119 4.670 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -25.773 16.092 2.920 1.00 0.00 H new ATOM 194 N ILE A 17 -23.973 13.055 3.264 1.00 0.00 N ATOM 195 CA ILE A 17 -22.572 12.693 3.443 1.00 0.00 C ATOM 196 C ILE A 17 -21.651 13.743 2.832 1.00 0.00 C ATOM 197 O ILE A 17 -20.877 13.449 1.920 1.00 0.00 O ATOM 198 CB ILE A 17 -22.260 11.322 2.812 1.00 0.00 C ATOM 199 CG1 ILE A 17 -23.190 10.250 3.384 1.00 0.00 C ATOM 200 CG2 ILE A 17 -20.804 10.950 3.049 1.00 0.00 C ATOM 201 CD1 ILE A 17 -23.152 8.947 2.617 1.00 0.00 C ATOM 0 H ILE A 17 -24.414 12.642 2.442 1.00 0.00 H new ATOM 0 HA ILE A 17 -22.394 12.638 4.517 1.00 0.00 H new ATOM 0 HB ILE A 17 -22.428 11.386 1.737 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -22.917 10.060 4.422 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -24.211 10.631 3.388 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -20.598 9.979 2.598 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -20.158 11.704 2.599 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -20.611 10.900 4.121 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -23.835 8.233 3.078 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -23.454 9.124 1.585 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -22.140 8.544 2.635 1.00 0.00 H new ATOM 213 N ILE A 18 -21.738 14.967 3.341 1.00 0.00 N ATOM 214 CA ILE A 18 -20.910 16.060 2.848 1.00 0.00 C ATOM 215 C ILE A 18 -19.431 15.688 2.883 1.00 0.00 C ATOM 216 O ILE A 18 -18.876 15.413 3.945 1.00 0.00 O ATOM 217 CB ILE A 18 -21.124 17.344 3.670 1.00 0.00 C ATOM 218 CG1 ILE A 18 -21.093 17.029 5.167 1.00 0.00 C ATOM 219 CG2 ILE A 18 -22.442 18.003 3.289 1.00 0.00 C ATOM 220 CD1 ILE A 18 -21.163 18.259 6.045 1.00 0.00 C ATOM 0 H ILE A 18 -22.374 15.227 4.095 1.00 0.00 H new ATOM 0 HA ILE A 18 -21.212 16.244 1.817 1.00 0.00 H new ATOM 0 HB ILE A 18 -20.314 18.039 3.448 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -21.928 16.372 5.409 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -20.179 16.481 5.396 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -22.579 18.909 3.879 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -22.428 18.258 2.229 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -23.264 17.314 3.486 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -21.136 17.960 7.093 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -20.313 18.908 5.831 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -22.090 18.797 5.845 1.00 0.00 H new ATOM 232 N GLU A 19 -18.800 15.684 1.713 1.00 0.00 N ATOM 233 CA GLU A 19 -17.385 15.348 1.610 1.00 0.00 C ATOM 234 C GLU A 19 -16.521 16.422 2.264 1.00 0.00 C ATOM 235 O GLU A 19 -15.828 16.164 3.248 1.00 0.00 O ATOM 236 CB GLU A 19 -16.983 15.177 0.144 1.00 0.00 C ATOM 237 CG GLU A 19 -17.583 13.944 -0.512 1.00 0.00 C ATOM 238 CD GLU A 19 -17.378 12.687 0.311 1.00 0.00 C ATOM 239 OE1 GLU A 19 -16.332 12.585 0.986 1.00 0.00 O ATOM 240 OE2 GLU A 19 -18.263 11.807 0.281 1.00 0.00 O ATOM 0 H GLU A 19 -19.246 15.909 0.824 1.00 0.00 H new ATOM 0 HA GLU A 19 -17.223 14.407 2.135 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -17.291 16.061 -0.414 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -15.896 15.121 0.078 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -18.650 14.102 -0.667 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -17.135 13.806 -1.496 1.00 0.00 H new ATOM 247 N ASP A 20 -16.568 17.629 1.709 1.00 0.00 N ATOM 248 CA ASP A 20 -15.790 18.744 2.237 1.00 0.00 C ATOM 249 C ASP A 20 -16.411 20.078 1.834 1.00 0.00 C ATOM 250 O ASP A 20 -17.273 20.133 0.957 1.00 0.00 O ATOM 251 CB ASP A 20 -14.346 18.668 1.739 1.00 0.00 C ATOM 252 CG ASP A 20 -13.513 17.678 2.528 1.00 0.00 C ATOM 253 OD1 ASP A 20 -12.908 18.087 3.542 1.00 0.00 O ATOM 254 OD2 ASP A 20 -13.466 16.495 2.133 1.00 0.00 O ATOM 0 H ASP A 20 -17.136 17.860 0.894 1.00 0.00 H new ATOM 0 HA ASP A 20 -15.794 18.675 3.325 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -14.342 18.384 0.687 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -13.890 19.656 1.804 1.00 0.00 H new ATOM 259 N ALA A 21 -15.968 21.150 2.481 1.00 0.00 N ATOM 260 CA ALA A 21 -16.479 22.484 2.190 1.00 0.00 C ATOM 261 C ALA A 21 -15.580 23.211 1.196 1.00 0.00 C ATOM 262 O ALA A 21 -16.063 23.870 0.275 1.00 0.00 O ATOM 263 CB ALA A 21 -16.611 23.291 3.473 1.00 0.00 C ATOM 0 H ALA A 21 -15.256 21.121 3.211 1.00 0.00 H new ATOM 0 HA ALA A 21 -17.465 22.377 1.738 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -16.994 24.285 3.240 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -17.300 22.787 4.151 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -15.634 23.381 3.949 1.00 0.00 H new ATOM 269 N ASP A 22 -14.271 23.088 1.389 1.00 0.00 N ATOM 270 CA ASP A 22 -13.305 23.734 0.508 1.00 0.00 C ATOM 271 C ASP A 22 -12.877 22.792 -0.613 1.00 0.00 C ATOM 272 O ASP A 22 -13.050 23.096 -1.792 1.00 0.00 O ATOM 273 CB ASP A 22 -12.080 24.187 1.305 1.00 0.00 C ATOM 274 CG ASP A 22 -11.081 24.943 0.452 1.00 0.00 C ATOM 275 OD1 ASP A 22 -10.243 24.288 -0.202 1.00 0.00 O ATOM 276 OD2 ASP A 22 -11.138 26.190 0.437 1.00 0.00 O ATOM 0 H ASP A 22 -13.855 22.547 2.147 1.00 0.00 H new ATOM 0 HA ASP A 22 -13.783 24.607 0.063 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -12.402 24.822 2.131 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -11.593 23.316 1.743 1.00 0.00 H new ATOM 281 N GLY A 23 -12.316 21.647 -0.236 1.00 0.00 N ATOM 282 CA GLY A 23 -11.870 20.679 -1.221 1.00 0.00 C ATOM 283 C GLY A 23 -12.108 19.249 -0.778 1.00 0.00 C ATOM 284 O GLY A 23 -11.912 18.914 0.391 1.00 0.00 O ATOM 0 H GLY A 23 -12.162 21.373 0.734 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -12.391 20.856 -2.162 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -10.807 20.824 -1.413 1.00 0.00 H new ATOM 288 N ILE A 24 -12.534 18.405 -1.712 1.00 0.00 N ATOM 289 CA ILE A 24 -12.799 17.004 -1.410 1.00 0.00 C ATOM 290 C ILE A 24 -11.569 16.143 -1.672 1.00 0.00 C ATOM 291 O ILE A 24 -10.835 16.367 -2.634 1.00 0.00 O ATOM 292 CB ILE A 24 -13.977 16.463 -2.242 1.00 0.00 C ATOM 293 CG1 ILE A 24 -15.247 17.264 -1.949 1.00 0.00 C ATOM 294 CG2 ILE A 24 -14.197 14.986 -1.950 1.00 0.00 C ATOM 295 CD1 ILE A 24 -15.416 18.476 -2.839 1.00 0.00 C ATOM 0 H ILE A 24 -12.703 18.667 -2.683 1.00 0.00 H new ATOM 0 HA ILE A 24 -13.057 16.952 -0.352 1.00 0.00 H new ATOM 0 HB ILE A 24 -13.737 16.573 -3.299 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -16.113 16.613 -2.067 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -15.231 17.587 -0.908 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -15.033 14.618 -2.545 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -13.296 14.427 -2.204 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -14.420 14.854 -0.891 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -16.337 18.996 -2.575 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -14.569 19.148 -2.703 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -15.464 18.159 -3.881 1.00 0.00 H new ATOM 307 N ALA A 25 -11.350 15.156 -0.809 1.00 0.00 N ATOM 308 CA ALA A 25 -10.210 14.258 -0.949 1.00 0.00 C ATOM 309 C ALA A 25 -10.643 12.903 -1.498 1.00 0.00 C ATOM 310 O ALA A 25 -11.402 12.176 -0.857 1.00 0.00 O ATOM 311 CB ALA A 25 -9.507 14.086 0.389 1.00 0.00 C ATOM 0 H ALA A 25 -11.947 14.958 -0.006 1.00 0.00 H new ATOM 0 HA ALA A 25 -9.513 14.703 -1.659 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -8.658 13.413 0.270 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -9.155 15.055 0.742 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.204 13.666 1.115 1.00 0.00 H new ATOM 317 N MET A 26 -10.156 12.569 -2.689 1.00 0.00 N ATOM 318 CA MET A 26 -10.493 11.301 -3.324 1.00 0.00 C ATOM 319 C MET A 26 -9.372 10.284 -3.137 1.00 0.00 C ATOM 320 O MET A 26 -8.273 10.429 -3.674 1.00 0.00 O ATOM 321 CB MET A 26 -10.765 11.508 -4.815 1.00 0.00 C ATOM 322 CG MET A 26 -11.985 12.371 -5.096 1.00 0.00 C ATOM 323 SD MET A 26 -13.531 11.544 -4.677 1.00 0.00 S ATOM 324 CE MET A 26 -13.583 10.266 -5.931 1.00 0.00 C ATOM 0 H MET A 26 -9.527 13.159 -3.233 1.00 0.00 H new ATOM 0 HA MET A 26 -11.394 10.914 -2.848 1.00 0.00 H new ATOM 0 HB2 MET A 26 -9.891 11.968 -5.275 1.00 0.00 H new ATOM 0 HB3 MET A 26 -10.900 10.536 -5.290 1.00 0.00 H new ATOM 0 HG2 MET A 26 -11.908 13.298 -4.528 1.00 0.00 H new ATOM 0 HG3 MET A 26 -11.997 12.643 -6.151 1.00 0.00 H new ATOM 0 HE1 MET A 26 -14.354 10.506 -6.663 1.00 0.00 H new ATOM 0 HE2 MET A 26 -12.615 10.205 -6.429 1.00 0.00 H new ATOM 0 HE3 MET A 26 -13.812 9.308 -5.465 1.00 0.00 H new ATOM 334 N PRO A 27 -9.652 9.230 -2.356 1.00 0.00 N ATOM 335 CA PRO A 27 -8.679 8.168 -2.080 1.00 0.00 C ATOM 336 C PRO A 27 -8.395 7.309 -3.308 1.00 0.00 C ATOM 337 O PRO A 27 -8.766 7.665 -4.427 1.00 0.00 O ATOM 338 CB PRO A 27 -9.360 7.337 -0.991 1.00 0.00 C ATOM 339 CG PRO A 27 -10.817 7.578 -1.186 1.00 0.00 C ATOM 340 CD PRO A 27 -10.940 8.992 -1.684 1.00 0.00 C ATOM 0 HA PRO A 27 -7.710 8.570 -1.784 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -9.117 6.279 -1.090 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -9.037 7.646 0.003 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -11.236 6.873 -1.904 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -11.363 7.444 -0.252 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -11.779 9.105 -2.371 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -11.102 9.694 -0.866 1.00 0.00 H new ATOM 348 N HIS A 28 -7.735 6.175 -3.091 1.00 0.00 N ATOM 349 CA HIS A 28 -7.402 5.264 -4.180 1.00 0.00 C ATOM 350 C HIS A 28 -8.305 4.035 -4.155 1.00 0.00 C ATOM 351 O HIS A 28 -8.365 3.318 -3.156 1.00 0.00 O ATOM 352 CB HIS A 28 -5.937 4.837 -4.087 1.00 0.00 C ATOM 353 CG HIS A 28 -4.975 5.984 -4.132 1.00 0.00 C ATOM 354 ND1 HIS A 28 -4.382 6.423 -5.297 1.00 0.00 N ATOM 355 CD2 HIS A 28 -4.504 6.785 -3.147 1.00 0.00 C ATOM 356 CE1 HIS A 28 -3.587 7.443 -5.027 1.00 0.00 C ATOM 357 NE2 HIS A 28 -3.644 7.683 -3.729 1.00 0.00 N ATOM 0 H HIS A 28 -7.421 5.866 -2.171 1.00 0.00 H new ATOM 0 HA HIS A 28 -7.560 5.790 -5.122 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -5.787 4.283 -3.160 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -5.714 4.154 -4.906 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -4.758 6.728 -2.099 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -2.992 7.988 -5.745 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -3.132 8.417 -3.239 1.00 0.00 H new ATOM 365 N GLN A 29 -9.007 3.799 -5.259 1.00 0.00 N ATOM 366 CA GLN A 29 -9.907 2.657 -5.362 1.00 0.00 C ATOM 367 C GLN A 29 -9.124 1.359 -5.526 1.00 0.00 C ATOM 368 O GLN A 29 -8.801 0.955 -6.644 1.00 0.00 O ATOM 369 CB GLN A 29 -10.866 2.841 -6.540 1.00 0.00 C ATOM 370 CG GLN A 29 -12.045 1.882 -6.520 1.00 0.00 C ATOM 371 CD GLN A 29 -12.864 1.989 -5.248 1.00 0.00 C ATOM 372 OE1 GLN A 29 -12.938 1.044 -4.463 1.00 0.00 O ATOM 373 NE2 GLN A 29 -13.483 3.145 -5.039 1.00 0.00 N ATOM 0 H GLN A 29 -8.970 4.383 -6.094 1.00 0.00 H new ATOM 0 HA GLN A 29 -10.484 2.597 -4.439 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -11.241 3.865 -6.536 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -10.315 2.707 -7.471 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -12.686 2.083 -7.378 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -11.679 0.861 -6.627 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -13.393 3.901 -5.717 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -14.048 3.277 -4.200 1.00 0.00 H new ATOM 382 N TRP A 30 -8.822 0.710 -4.408 1.00 0.00 N ATOM 383 CA TRP A 30 -8.076 -0.543 -4.428 1.00 0.00 C ATOM 384 C TRP A 30 -8.967 -1.700 -4.864 1.00 0.00 C ATOM 385 O TRP A 30 -10.021 -1.942 -4.273 1.00 0.00 O ATOM 386 CB TRP A 30 -7.484 -0.831 -3.048 1.00 0.00 C ATOM 387 CG TRP A 30 -6.536 0.230 -2.575 1.00 0.00 C ATOM 388 CD1 TRP A 30 -6.580 0.896 -1.384 1.00 0.00 C ATOM 389 CD2 TRP A 30 -5.405 0.746 -3.285 1.00 0.00 C ATOM 390 NE1 TRP A 30 -5.544 1.796 -1.310 1.00 0.00 N ATOM 391 CE2 TRP A 30 -4.808 1.723 -2.463 1.00 0.00 C ATOM 392 CE3 TRP A 30 -4.837 0.477 -4.533 1.00 0.00 C ATOM 393 CZ2 TRP A 30 -3.674 2.430 -2.852 1.00 0.00 C ATOM 394 CZ3 TRP A 30 -3.711 1.180 -4.917 1.00 0.00 C ATOM 395 CH2 TRP A 30 -3.138 2.146 -4.080 1.00 0.00 C ATOM 0 H TRP A 30 -9.082 1.031 -3.475 1.00 0.00 H new ATOM 0 HA TRP A 30 -7.265 -0.442 -5.149 1.00 0.00 H new ATOM 0 HB2 TRP A 30 -8.295 -0.932 -2.327 1.00 0.00 H new ATOM 0 HB3 TRP A 30 -6.962 -1.788 -3.077 1.00 0.00 H new ATOM 0 HD1 TRP A 30 -7.320 0.739 -0.613 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -5.354 2.418 -0.524 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -5.270 -0.267 -5.186 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -3.232 3.176 -2.208 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 -3.265 0.981 -5.880 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -2.257 2.677 -4.409 1.00 0.00 H new ATOM 406 N LEU A 31 -8.540 -2.413 -5.901 1.00 0.00 N ATOM 407 CA LEU A 31 -9.300 -3.546 -6.416 1.00 0.00 C ATOM 408 C LEU A 31 -8.588 -4.861 -6.116 1.00 0.00 C ATOM 409 O LEU A 31 -7.590 -5.196 -6.754 1.00 0.00 O ATOM 410 CB LEU A 31 -9.513 -3.400 -7.923 1.00 0.00 C ATOM 411 CG LEU A 31 -10.680 -4.191 -8.516 1.00 0.00 C ATOM 412 CD1 LEU A 31 -11.169 -3.540 -9.801 1.00 0.00 C ATOM 413 CD2 LEU A 31 -10.271 -5.635 -8.771 1.00 0.00 C ATOM 0 H LEU A 31 -7.671 -2.226 -6.402 1.00 0.00 H new ATOM 0 HA LEU A 31 -10.270 -3.558 -5.918 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -9.664 -2.344 -8.148 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -8.598 -3.706 -8.430 1.00 0.00 H new ATOM 0 HG LEU A 31 -11.499 -4.187 -7.796 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -11.999 -4.117 -10.208 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -11.502 -2.524 -9.590 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -10.356 -3.512 -10.527 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -11.114 -6.183 -9.193 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -9.436 -5.658 -9.471 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -9.970 -6.099 -7.832 1.00 0.00 H new ATOM 425 N GLU A 32 -9.108 -5.603 -5.144 1.00 0.00 N ATOM 426 CA GLU A 32 -8.522 -6.882 -4.762 1.00 0.00 C ATOM 427 C GLU A 32 -8.068 -7.662 -5.993 1.00 0.00 C ATOM 428 O GLU A 32 -8.884 -8.071 -6.817 1.00 0.00 O ATOM 429 CB GLU A 32 -9.529 -7.712 -3.962 1.00 0.00 C ATOM 430 CG GLU A 32 -8.968 -9.032 -3.460 1.00 0.00 C ATOM 431 CD GLU A 32 -9.863 -9.692 -2.430 1.00 0.00 C ATOM 432 OE1 GLU A 32 -10.201 -9.030 -1.426 1.00 0.00 O ATOM 433 OE2 GLU A 32 -10.225 -10.870 -2.628 1.00 0.00 O ATOM 0 H GLU A 32 -9.934 -5.340 -4.607 1.00 0.00 H new ATOM 0 HA GLU A 32 -7.651 -6.681 -4.138 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -9.874 -7.126 -3.110 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -10.400 -7.911 -4.586 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -8.831 -9.709 -4.304 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -7.983 -8.862 -3.025 1.00 0.00 H new ATOM 440 N GLY A 33 -6.759 -7.862 -6.109 1.00 0.00 N ATOM 441 CA GLY A 33 -6.218 -8.591 -7.242 1.00 0.00 C ATOM 442 C GLY A 33 -6.373 -7.834 -8.546 1.00 0.00 C ATOM 443 O GLY A 33 -6.324 -6.605 -8.567 1.00 0.00 O ATOM 0 H GLY A 33 -6.064 -7.533 -5.439 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -5.162 -8.796 -7.068 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -6.720 -9.555 -7.323 1.00 0.00 H new ATOM 447 N ASN A 34 -6.558 -8.570 -9.637 1.00 0.00 N ATOM 448 CA ASN A 34 -6.719 -7.960 -10.952 1.00 0.00 C ATOM 449 C ASN A 34 -5.401 -7.364 -11.439 1.00 0.00 C ATOM 450 O ASN A 34 -5.365 -6.242 -11.946 1.00 0.00 O ATOM 451 CB ASN A 34 -7.796 -6.875 -10.906 1.00 0.00 C ATOM 452 CG ASN A 34 -8.284 -6.486 -12.288 1.00 0.00 C ATOM 453 OD1 ASN A 34 -8.368 -7.322 -13.187 1.00 0.00 O ATOM 454 ND2 ASN A 34 -8.610 -5.210 -12.463 1.00 0.00 N ATOM 0 H ASN A 34 -6.600 -9.589 -9.637 1.00 0.00 H new ATOM 0 HA ASN A 34 -7.027 -8.738 -11.651 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -8.639 -7.229 -10.312 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -7.399 -5.994 -10.402 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -8.946 -4.889 -13.371 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -8.525 -4.551 -11.689 1.00 0.00 H new ATOM 461 N LEU A 35 -4.322 -8.122 -11.283 1.00 0.00 N ATOM 462 CA LEU A 35 -3.001 -7.669 -11.707 1.00 0.00 C ATOM 463 C LEU A 35 -2.521 -8.455 -12.923 1.00 0.00 C ATOM 464 O LEU A 35 -2.643 -9.679 -12.990 1.00 0.00 O ATOM 465 CB LEU A 35 -1.998 -7.816 -10.562 1.00 0.00 C ATOM 466 CG LEU A 35 -2.054 -6.739 -9.478 1.00 0.00 C ATOM 467 CD1 LEU A 35 -1.674 -5.383 -10.052 1.00 0.00 C ATOM 468 CD2 LEU A 35 -3.440 -6.685 -8.852 1.00 0.00 C ATOM 0 H LEU A 35 -4.335 -9.053 -10.866 1.00 0.00 H new ATOM 0 HA LEU A 35 -3.076 -6.617 -11.983 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -2.155 -8.786 -10.091 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -0.993 -7.826 -10.985 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.335 -6.996 -8.700 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.720 -4.629 -9.266 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.661 -5.428 -10.453 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -2.368 -5.118 -10.849 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -3.462 -5.913 -8.083 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.177 -6.453 -9.620 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -3.675 -7.651 -8.404 1.00 0.00 H new ATOM 480 N PRO A 36 -1.961 -7.738 -13.908 1.00 0.00 N ATOM 481 CA PRO A 36 -1.448 -8.348 -15.139 1.00 0.00 C ATOM 482 C PRO A 36 -0.192 -9.178 -14.895 1.00 0.00 C ATOM 483 O PRO A 36 0.477 -9.023 -13.874 1.00 0.00 O ATOM 484 CB PRO A 36 -1.129 -7.143 -16.026 1.00 0.00 C ATOM 485 CG PRO A 36 -0.881 -6.025 -15.072 1.00 0.00 C ATOM 486 CD PRO A 36 -1.783 -6.276 -13.897 1.00 0.00 C ATOM 0 HA PRO A 36 -2.165 -9.041 -15.580 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -0.256 -7.331 -16.651 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -1.957 -6.915 -16.697 1.00 0.00 H new ATOM 0 HG2 PRO A 36 0.164 -6.000 -14.763 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -1.100 -5.062 -15.534 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -1.333 -5.933 -12.965 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -2.734 -5.755 -14.003 1.00 0.00 H new ATOM 494 N VAL A 37 0.122 -10.058 -15.840 1.00 0.00 N ATOM 495 CA VAL A 37 1.299 -10.912 -15.728 1.00 0.00 C ATOM 496 C VAL A 37 2.574 -10.080 -15.634 1.00 0.00 C ATOM 497 O VAL A 37 3.555 -10.497 -15.019 1.00 0.00 O ATOM 498 CB VAL A 37 1.413 -11.871 -16.928 1.00 0.00 C ATOM 499 CG1 VAL A 37 1.399 -11.095 -18.236 1.00 0.00 C ATOM 500 CG2 VAL A 37 2.671 -12.719 -16.814 1.00 0.00 C ATOM 0 H VAL A 37 -0.422 -10.198 -16.691 1.00 0.00 H new ATOM 0 HA VAL A 37 1.181 -11.496 -14.815 1.00 0.00 H new ATOM 0 HB VAL A 37 0.551 -12.538 -16.921 1.00 0.00 H new ATOM 0 HG11 VAL A 37 1.480 -11.790 -19.072 1.00 0.00 H new ATOM 0 HG12 VAL A 37 0.467 -10.537 -18.318 1.00 0.00 H new ATOM 0 HG13 VAL A 37 2.240 -10.402 -18.257 1.00 0.00 H new ATOM 0 HG21 VAL A 37 2.736 -13.391 -17.670 1.00 0.00 H new ATOM 0 HG22 VAL A 37 3.547 -12.070 -16.795 1.00 0.00 H new ATOM 0 HG23 VAL A 37 2.633 -13.304 -15.895 1.00 0.00 H new ATOM 510 N SER A 38 2.552 -8.902 -16.249 1.00 0.00 N ATOM 511 CA SER A 38 3.707 -8.012 -16.238 1.00 0.00 C ATOM 512 C SER A 38 3.440 -6.786 -15.369 1.00 0.00 C ATOM 513 O SER A 38 3.828 -5.671 -15.715 1.00 0.00 O ATOM 514 CB SER A 38 4.055 -7.576 -17.662 1.00 0.00 C ATOM 515 OG SER A 38 4.897 -8.524 -18.295 1.00 0.00 O ATOM 0 H SER A 38 1.747 -8.542 -16.761 1.00 0.00 H new ATOM 0 HA SER A 38 4.551 -8.558 -15.816 1.00 0.00 H new ATOM 0 HB2 SER A 38 3.140 -7.453 -18.242 1.00 0.00 H new ATOM 0 HB3 SER A 38 4.550 -6.605 -17.638 1.00 0.00 H new ATOM 0 HG SER A 38 5.103 -8.223 -19.204 1.00 0.00 H new ATOM 521 N ALA A 39 2.776 -7.004 -14.239 1.00 0.00 N ATOM 522 CA ALA A 39 2.459 -5.918 -13.319 1.00 0.00 C ATOM 523 C ALA A 39 3.707 -5.438 -12.585 1.00 0.00 C ATOM 524 O ALA A 39 4.737 -6.112 -12.585 1.00 0.00 O ATOM 525 CB ALA A 39 1.398 -6.364 -12.323 1.00 0.00 C ATOM 0 H ALA A 39 2.447 -7.922 -13.938 1.00 0.00 H new ATOM 0 HA ALA A 39 2.068 -5.084 -13.901 1.00 0.00 H new ATOM 0 HB1 ALA A 39 1.171 -5.544 -11.642 1.00 0.00 H new ATOM 0 HB2 ALA A 39 0.494 -6.652 -12.859 1.00 0.00 H new ATOM 0 HB3 ALA A 39 1.769 -7.216 -11.754 1.00 0.00 H new ATOM 531 N LYS A 40 3.607 -4.270 -11.961 1.00 0.00 N ATOM 532 CA LYS A 40 4.727 -3.698 -11.222 1.00 0.00 C ATOM 533 C LYS A 40 4.235 -2.735 -10.147 1.00 0.00 C ATOM 534 O LYS A 40 3.323 -1.942 -10.379 1.00 0.00 O ATOM 535 CB LYS A 40 5.676 -2.971 -12.177 1.00 0.00 C ATOM 536 CG LYS A 40 7.128 -3.000 -11.731 1.00 0.00 C ATOM 537 CD LYS A 40 7.718 -4.395 -11.841 1.00 0.00 C ATOM 538 CE LYS A 40 9.223 -4.349 -12.055 1.00 0.00 C ATOM 539 NZ LYS A 40 9.946 -3.921 -10.825 1.00 0.00 N ATOM 0 H LYS A 40 2.761 -3.700 -11.952 1.00 0.00 H new ATOM 0 HA LYS A 40 5.263 -4.513 -10.736 1.00 0.00 H new ATOM 0 HB2 LYS A 40 5.599 -3.423 -13.166 1.00 0.00 H new ATOM 0 HB3 LYS A 40 5.355 -1.934 -12.275 1.00 0.00 H new ATOM 0 HG2 LYS A 40 7.710 -2.309 -12.340 1.00 0.00 H new ATOM 0 HG3 LYS A 40 7.200 -2.654 -10.700 1.00 0.00 H new ATOM 0 HD2 LYS A 40 7.496 -4.958 -10.934 1.00 0.00 H new ATOM 0 HD3 LYS A 40 7.248 -4.926 -12.669 1.00 0.00 H new ATOM 0 HE2 LYS A 40 9.577 -5.334 -12.360 1.00 0.00 H new ATOM 0 HE3 LYS A 40 9.453 -3.662 -12.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 10.681 -3.230 -11.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 9.274 -3.485 -10.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 10.388 -4.749 -10.377 1.00 0.00 H new ATOM 553 N CYS A 41 4.846 -2.809 -8.969 1.00 0.00 N ATOM 554 CA CYS A 41 4.471 -1.944 -7.857 1.00 0.00 C ATOM 555 C CYS A 41 4.948 -0.514 -8.095 1.00 0.00 C ATOM 556 O CYS A 41 5.889 -0.280 -8.856 1.00 0.00 O ATOM 557 CB CYS A 41 5.057 -2.477 -6.548 1.00 0.00 C ATOM 558 SG CYS A 41 4.361 -1.704 -5.052 1.00 0.00 S ATOM 0 H CYS A 41 5.603 -3.460 -8.760 1.00 0.00 H new ATOM 0 HA CYS A 41 3.383 -1.939 -7.785 1.00 0.00 H new ATOM 0 HB2 CYS A 41 4.890 -3.553 -6.499 1.00 0.00 H new ATOM 0 HB3 CYS A 41 6.136 -2.322 -6.556 1.00 0.00 H new ATOM 563 N THR A 42 4.294 0.440 -7.440 1.00 0.00 N ATOM 564 CA THR A 42 4.650 1.846 -7.581 1.00 0.00 C ATOM 565 C THR A 42 5.277 2.385 -6.300 1.00 0.00 C ATOM 566 O THR A 42 5.880 3.458 -6.296 1.00 0.00 O ATOM 567 CB THR A 42 3.422 2.703 -7.938 1.00 0.00 C ATOM 568 OG1 THR A 42 3.842 3.966 -8.468 1.00 0.00 O ATOM 569 CG2 THR A 42 2.544 2.927 -6.716 1.00 0.00 C ATOM 0 H THR A 42 3.514 0.264 -6.806 1.00 0.00 H new ATOM 0 HA THR A 42 5.376 1.909 -8.392 1.00 0.00 H new ATOM 0 HB THR A 42 2.841 2.169 -8.690 1.00 0.00 H new ATOM 0 HG1 THR A 42 4.626 4.284 -7.973 1.00 0.00 H new ATOM 0 HG21 THR A 42 1.683 3.535 -6.993 1.00 0.00 H new ATOM 0 HG22 THR A 42 2.201 1.966 -6.333 1.00 0.00 H new ATOM 0 HG23 THR A 42 3.118 3.441 -5.945 1.00 0.00 H new ATOM 577 N VAL A 43 5.130 1.634 -5.213 1.00 0.00 N ATOM 578 CA VAL A 43 5.684 2.036 -3.926 1.00 0.00 C ATOM 579 C VAL A 43 7.118 1.543 -3.766 1.00 0.00 C ATOM 580 O VAL A 43 7.982 2.264 -3.265 1.00 0.00 O ATOM 581 CB VAL A 43 4.835 1.500 -2.758 1.00 0.00 C ATOM 582 CG1 VAL A 43 5.448 1.900 -1.424 1.00 0.00 C ATOM 583 CG2 VAL A 43 3.402 1.999 -2.867 1.00 0.00 C ATOM 0 H VAL A 43 4.632 0.744 -5.198 1.00 0.00 H new ATOM 0 HA VAL A 43 5.673 3.126 -3.903 1.00 0.00 H new ATOM 0 HB VAL A 43 4.821 0.411 -2.812 1.00 0.00 H new ATOM 0 HG11 VAL A 43 4.834 1.512 -0.611 1.00 0.00 H new ATOM 0 HG12 VAL A 43 6.454 1.488 -1.348 1.00 0.00 H new ATOM 0 HG13 VAL A 43 5.495 2.987 -1.357 1.00 0.00 H new ATOM 0 HG21 VAL A 43 2.817 1.610 -2.033 1.00 0.00 H new ATOM 0 HG22 VAL A 43 3.393 3.089 -2.840 1.00 0.00 H new ATOM 0 HG23 VAL A 43 2.968 1.656 -3.806 1.00 0.00 H new ATOM 593 N CYS A 44 7.365 0.310 -4.195 1.00 0.00 N ATOM 594 CA CYS A 44 8.694 -0.281 -4.100 1.00 0.00 C ATOM 595 C CYS A 44 9.282 -0.521 -5.487 1.00 0.00 C ATOM 596 O CYS A 44 10.501 -0.587 -5.653 1.00 0.00 O ATOM 597 CB CYS A 44 8.635 -1.598 -3.324 1.00 0.00 C ATOM 598 SG CYS A 44 7.744 -2.931 -4.187 1.00 0.00 S ATOM 0 H CYS A 44 6.662 -0.300 -4.612 1.00 0.00 H new ATOM 0 HA CYS A 44 9.338 0.418 -3.567 1.00 0.00 H new ATOM 0 HB2 CYS A 44 9.652 -1.931 -3.116 1.00 0.00 H new ATOM 0 HB3 CYS A 44 8.155 -1.419 -2.362 1.00 0.00 H new ATOM 603 N ASP A 45 8.409 -0.652 -6.480 1.00 0.00 N ATOM 604 CA ASP A 45 8.841 -0.883 -7.853 1.00 0.00 C ATOM 605 C ASP A 45 9.370 -2.304 -8.024 1.00 0.00 C ATOM 606 O ASP A 45 10.429 -2.518 -8.614 1.00 0.00 O ATOM 607 CB ASP A 45 9.920 0.126 -8.248 1.00 0.00 C ATOM 608 CG ASP A 45 10.157 0.164 -9.745 1.00 0.00 C ATOM 609 OD1 ASP A 45 9.255 -0.256 -10.499 1.00 0.00 O ATOM 610 OD2 ASP A 45 11.245 0.614 -10.163 1.00 0.00 O ATOM 0 H ASP A 45 7.397 -0.602 -6.359 1.00 0.00 H new ATOM 0 HA ASP A 45 7.978 -0.754 -8.506 1.00 0.00 H new ATOM 0 HB2 ASP A 45 9.629 1.118 -7.904 1.00 0.00 H new ATOM 0 HB3 ASP A 45 10.852 -0.126 -7.742 1.00 0.00 H new ATOM 615 N LYS A 46 8.625 -3.274 -7.503 1.00 0.00 N ATOM 616 CA LYS A 46 9.017 -4.675 -7.598 1.00 0.00 C ATOM 617 C LYS A 46 7.889 -5.517 -8.184 1.00 0.00 C ATOM 618 O LYS A 46 6.711 -5.251 -7.943 1.00 0.00 O ATOM 619 CB LYS A 46 9.404 -5.211 -6.218 1.00 0.00 C ATOM 620 CG LYS A 46 10.552 -4.455 -5.571 1.00 0.00 C ATOM 621 CD LYS A 46 11.893 -5.086 -5.905 1.00 0.00 C ATOM 622 CE LYS A 46 12.523 -4.442 -7.130 1.00 0.00 C ATOM 623 NZ LYS A 46 13.276 -3.206 -6.782 1.00 0.00 N ATOM 0 H LYS A 46 7.746 -3.115 -7.011 1.00 0.00 H new ATOM 0 HA LYS A 46 9.879 -4.742 -8.262 1.00 0.00 H new ATOM 0 HB2 LYS A 46 8.534 -5.164 -5.563 1.00 0.00 H new ATOM 0 HB3 LYS A 46 9.678 -6.262 -6.310 1.00 0.00 H new ATOM 0 HG2 LYS A 46 10.542 -3.419 -5.908 1.00 0.00 H new ATOM 0 HG3 LYS A 46 10.415 -4.440 -4.490 1.00 0.00 H new ATOM 0 HD2 LYS A 46 12.566 -4.985 -5.053 1.00 0.00 H new ATOM 0 HD3 LYS A 46 11.760 -6.153 -6.082 1.00 0.00 H new ATOM 0 HE2 LYS A 46 13.195 -5.154 -7.609 1.00 0.00 H new ATOM 0 HE3 LYS A 46 11.745 -4.201 -7.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 13.690 -2.797 -7.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 12.630 -2.516 -6.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 14.035 -3.439 -6.110 1.00 0.00 H new ATOM 637 N THR A 47 8.256 -6.536 -8.956 1.00 0.00 N ATOM 638 CA THR A 47 7.275 -7.417 -9.576 1.00 0.00 C ATOM 639 C THR A 47 6.048 -7.586 -8.688 1.00 0.00 C ATOM 640 O THR A 47 6.151 -7.569 -7.461 1.00 0.00 O ATOM 641 CB THR A 47 7.875 -8.805 -9.873 1.00 0.00 C ATOM 642 OG1 THR A 47 6.871 -9.666 -10.420 1.00 0.00 O ATOM 643 CG2 THR A 47 8.450 -9.427 -8.609 1.00 0.00 C ATOM 0 H THR A 47 9.226 -6.771 -9.166 1.00 0.00 H new ATOM 0 HA THR A 47 6.979 -6.949 -10.515 1.00 0.00 H new ATOM 0 HB THR A 47 8.680 -8.681 -10.597 1.00 0.00 H new ATOM 0 HG1 THR A 47 7.261 -10.545 -10.607 1.00 0.00 H new ATOM 0 HG21 THR A 47 8.868 -10.406 -8.843 1.00 0.00 H new ATOM 0 HG22 THR A 47 9.234 -8.783 -8.211 1.00 0.00 H new ATOM 0 HG23 THR A 47 7.660 -9.538 -7.866 1.00 0.00 H new ATOM 651 N CYS A 48 4.888 -7.750 -9.315 1.00 0.00 N ATOM 652 CA CYS A 48 3.640 -7.922 -8.580 1.00 0.00 C ATOM 653 C CYS A 48 2.822 -9.071 -9.160 1.00 0.00 C ATOM 654 O CYS A 48 3.257 -9.749 -10.089 1.00 0.00 O ATOM 655 CB CYS A 48 2.822 -6.630 -8.612 1.00 0.00 C ATOM 656 SG CYS A 48 3.315 -5.413 -7.369 1.00 0.00 S ATOM 0 H CYS A 48 4.786 -7.767 -10.330 1.00 0.00 H new ATOM 0 HA CYS A 48 3.886 -8.161 -7.545 1.00 0.00 H new ATOM 0 HB2 CYS A 48 2.912 -6.180 -9.601 1.00 0.00 H new ATOM 0 HB3 CYS A 48 1.770 -6.875 -8.468 1.00 0.00 H new ATOM 0 HG CYS A 48 3.375 -5.984 -6.203 1.00 0.00 H new ATOM 662 N GLY A 49 1.633 -9.284 -8.603 1.00 0.00 N ATOM 663 CA GLY A 49 0.773 -10.353 -9.077 1.00 0.00 C ATOM 664 C GLY A 49 1.219 -11.716 -8.586 1.00 0.00 C ATOM 665 O GLY A 49 2.333 -12.153 -8.873 1.00 0.00 O ATOM 0 H GLY A 49 1.250 -8.736 -7.833 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -0.249 -10.167 -8.746 1.00 0.00 H new ATOM 0 HA3 GLY A 49 0.760 -10.349 -10.167 1.00 0.00 H new ATOM 669 N SER A 50 0.347 -12.389 -7.842 1.00 0.00 N ATOM 670 CA SER A 50 0.658 -13.709 -7.305 1.00 0.00 C ATOM 671 C SER A 50 0.144 -14.807 -8.231 1.00 0.00 C ATOM 672 O SER A 50 -0.719 -14.569 -9.076 1.00 0.00 O ATOM 673 CB SER A 50 0.047 -13.873 -5.912 1.00 0.00 C ATOM 674 OG SER A 50 0.337 -15.152 -5.376 1.00 0.00 O ATOM 0 H SER A 50 -0.580 -12.042 -7.597 1.00 0.00 H new ATOM 0 HA SER A 50 1.742 -13.798 -7.231 1.00 0.00 H new ATOM 0 HB2 SER A 50 0.435 -13.100 -5.248 1.00 0.00 H new ATOM 0 HB3 SER A 50 -1.033 -13.734 -5.966 1.00 0.00 H new ATOM 0 HG SER A 50 0.387 -15.094 -4.399 1.00 0.00 H new ATOM 680 N VAL A 51 0.681 -16.012 -8.065 1.00 0.00 N ATOM 681 CA VAL A 51 0.277 -17.148 -8.883 1.00 0.00 C ATOM 682 C VAL A 51 -0.890 -17.896 -8.248 1.00 0.00 C ATOM 683 O VAL A 51 -2.010 -17.870 -8.759 1.00 0.00 O ATOM 684 CB VAL A 51 1.445 -18.129 -9.098 1.00 0.00 C ATOM 685 CG1 VAL A 51 1.014 -19.288 -9.983 1.00 0.00 C ATOM 686 CG2 VAL A 51 2.643 -17.407 -9.696 1.00 0.00 C ATOM 0 H VAL A 51 1.397 -16.226 -7.371 1.00 0.00 H new ATOM 0 HA VAL A 51 -0.034 -16.748 -9.848 1.00 0.00 H new ATOM 0 HB VAL A 51 1.740 -18.534 -8.130 1.00 0.00 H new ATOM 0 HG11 VAL A 51 1.853 -19.970 -10.123 1.00 0.00 H new ATOM 0 HG12 VAL A 51 0.189 -19.820 -9.510 1.00 0.00 H new ATOM 0 HG13 VAL A 51 0.691 -18.906 -10.951 1.00 0.00 H new ATOM 0 HG21 VAL A 51 3.459 -18.115 -9.841 1.00 0.00 H new ATOM 0 HG22 VAL A 51 2.364 -16.973 -10.656 1.00 0.00 H new ATOM 0 HG23 VAL A 51 2.965 -16.615 -9.020 1.00 0.00 H new ATOM 696 N LEU A 52 -0.620 -18.563 -7.131 1.00 0.00 N ATOM 697 CA LEU A 52 -1.648 -19.318 -6.424 1.00 0.00 C ATOM 698 C LEU A 52 -3.014 -18.659 -6.582 1.00 0.00 C ATOM 699 O LEU A 52 -4.034 -19.340 -6.697 1.00 0.00 O ATOM 700 CB LEU A 52 -1.294 -19.434 -4.940 1.00 0.00 C ATOM 701 CG LEU A 52 -0.553 -18.243 -4.332 1.00 0.00 C ATOM 702 CD1 LEU A 52 -1.539 -17.249 -3.737 1.00 0.00 C ATOM 703 CD2 LEU A 52 0.436 -18.713 -3.276 1.00 0.00 C ATOM 0 H LEU A 52 0.302 -18.596 -6.696 1.00 0.00 H new ATOM 0 HA LEU A 52 -1.694 -20.316 -6.860 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -2.215 -19.588 -4.378 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -0.683 -20.326 -4.801 1.00 0.00 H new ATOM 0 HG LEU A 52 0.003 -17.742 -5.124 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -0.994 -16.408 -3.309 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.208 -16.888 -4.518 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.123 -17.738 -2.957 1.00 0.00 H new ATOM 0 HD21 LEU A 52 0.954 -17.852 -2.854 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -0.099 -19.238 -2.485 1.00 0.00 H new ATOM 0 HD23 LEU A 52 1.162 -19.386 -3.732 1.00 0.00 H new ATOM 715 N ARG A 53 -3.027 -17.330 -6.591 1.00 0.00 N ATOM 716 CA ARG A 53 -4.268 -16.579 -6.736 1.00 0.00 C ATOM 717 C ARG A 53 -3.988 -15.084 -6.858 1.00 0.00 C ATOM 718 O ARG A 53 -2.833 -14.657 -6.863 1.00 0.00 O ATOM 719 CB ARG A 53 -5.191 -16.841 -5.544 1.00 0.00 C ATOM 720 CG ARG A 53 -4.798 -16.075 -4.291 1.00 0.00 C ATOM 721 CD ARG A 53 -5.979 -15.908 -3.348 1.00 0.00 C ATOM 722 NE ARG A 53 -5.787 -14.796 -2.421 1.00 0.00 N ATOM 723 CZ ARG A 53 -6.776 -14.224 -1.743 1.00 0.00 C ATOM 724 NH1 ARG A 53 -8.020 -14.659 -1.887 1.00 0.00 N ATOM 725 NH2 ARG A 53 -6.521 -13.217 -0.918 1.00 0.00 N ATOM 0 H ARG A 53 -2.192 -16.751 -6.500 1.00 0.00 H new ATOM 0 HA ARG A 53 -4.761 -16.914 -7.648 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -6.211 -16.573 -5.819 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -5.191 -17.908 -5.323 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -3.993 -16.602 -3.778 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -4.411 -15.095 -4.569 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -6.886 -15.743 -3.929 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -6.125 -16.829 -2.784 1.00 0.00 H new ATOM 0 HE ARG A 53 -4.841 -14.439 -2.287 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -8.219 -15.434 -2.519 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -8.778 -14.218 -1.366 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -5.565 -12.881 -0.804 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -7.281 -12.779 -0.398 1.00 0.00 H new ATOM 739 N LEU A 54 -5.051 -14.294 -6.956 1.00 0.00 N ATOM 740 CA LEU A 54 -4.920 -12.846 -7.078 1.00 0.00 C ATOM 741 C LEU A 54 -5.126 -12.165 -5.728 1.00 0.00 C ATOM 742 O LEU A 54 -6.141 -12.376 -5.065 1.00 0.00 O ATOM 743 CB LEU A 54 -5.929 -12.307 -8.093 1.00 0.00 C ATOM 744 CG LEU A 54 -7.373 -12.778 -7.919 1.00 0.00 C ATOM 745 CD1 LEU A 54 -8.037 -12.050 -6.761 1.00 0.00 C ATOM 746 CD2 LEU A 54 -8.161 -12.568 -9.204 1.00 0.00 C ATOM 0 H LEU A 54 -6.014 -14.631 -6.953 1.00 0.00 H new ATOM 0 HA LEU A 54 -3.911 -12.625 -7.426 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -5.915 -11.218 -8.046 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -5.594 -12.587 -9.092 1.00 0.00 H new ATOM 0 HG LEU A 54 -7.362 -13.844 -7.692 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -9.064 -12.399 -6.653 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -7.487 -12.251 -5.842 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -8.037 -10.978 -6.957 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -9.187 -12.909 -9.062 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -8.163 -11.509 -9.461 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -7.699 -13.136 -10.011 1.00 0.00 H new ATOM 758 N GLN A 55 -4.157 -11.347 -5.330 1.00 0.00 N ATOM 759 CA GLN A 55 -4.233 -10.634 -4.061 1.00 0.00 C ATOM 760 C GLN A 55 -3.842 -9.171 -4.234 1.00 0.00 C ATOM 761 O GLN A 55 -4.592 -8.269 -3.860 1.00 0.00 O ATOM 762 CB GLN A 55 -3.325 -11.298 -3.024 1.00 0.00 C ATOM 763 CG GLN A 55 -1.897 -11.498 -3.505 1.00 0.00 C ATOM 764 CD GLN A 55 -1.182 -12.611 -2.763 1.00 0.00 C ATOM 765 OE1 GLN A 55 -1.633 -13.757 -2.755 1.00 0.00 O ATOM 766 NE2 GLN A 55 -0.061 -12.278 -2.135 1.00 0.00 N ATOM 0 H GLN A 55 -3.310 -11.162 -5.868 1.00 0.00 H new ATOM 0 HA GLN A 55 -5.264 -10.676 -3.711 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -3.313 -10.689 -2.120 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -3.746 -12.265 -2.751 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -1.905 -11.724 -4.571 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -1.342 -10.568 -3.380 1.00 0.00 H new ATOM 0 HE21 GLN A 55 0.276 -11.316 -2.168 1.00 0.00 H new ATOM 0 HE22 GLN A 55 0.464 -12.984 -1.619 1.00 0.00 H new ATOM 775 N ASP A 56 -2.663 -8.942 -4.802 1.00 0.00 N ATOM 776 CA ASP A 56 -2.172 -7.587 -5.026 1.00 0.00 C ATOM 777 C ASP A 56 -3.324 -6.634 -5.326 1.00 0.00 C ATOM 778 O ASP A 56 -4.299 -7.009 -5.978 1.00 0.00 O ATOM 779 CB ASP A 56 -1.166 -7.570 -6.178 1.00 0.00 C ATOM 780 CG ASP A 56 0.171 -8.170 -5.789 1.00 0.00 C ATOM 781 OD1 ASP A 56 0.184 -9.314 -5.290 1.00 0.00 O ATOM 782 OD2 ASP A 56 1.203 -7.494 -5.983 1.00 0.00 O ATOM 0 H ASP A 56 -2.029 -9.677 -5.116 1.00 0.00 H new ATOM 0 HA ASP A 56 -1.675 -7.252 -4.115 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -1.577 -8.123 -7.023 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -1.017 -6.543 -6.511 1.00 0.00 H new ATOM 787 N TRP A 57 -3.206 -5.401 -4.846 1.00 0.00 N ATOM 788 CA TRP A 57 -4.239 -4.395 -5.062 1.00 0.00 C ATOM 789 C TRP A 57 -3.759 -3.323 -6.034 1.00 0.00 C ATOM 790 O TRP A 57 -2.611 -2.883 -5.971 1.00 0.00 O ATOM 791 CB TRP A 57 -4.640 -3.753 -3.733 1.00 0.00 C ATOM 792 CG TRP A 57 -5.051 -4.750 -2.692 1.00 0.00 C ATOM 793 CD1 TRP A 57 -4.224 -5.516 -1.920 1.00 0.00 C ATOM 794 CD2 TRP A 57 -6.388 -5.089 -2.310 1.00 0.00 C ATOM 795 NE1 TRP A 57 -4.968 -6.311 -1.082 1.00 0.00 N ATOM 796 CE2 TRP A 57 -6.298 -6.068 -1.301 1.00 0.00 C ATOM 797 CE3 TRP A 57 -7.653 -4.660 -2.721 1.00 0.00 C ATOM 798 CZ2 TRP A 57 -7.424 -6.623 -0.700 1.00 0.00 C ATOM 799 CZ3 TRP A 57 -8.770 -5.213 -2.124 1.00 0.00 C ATOM 800 CH2 TRP A 57 -8.650 -6.185 -1.122 1.00 0.00 C ATOM 0 H TRP A 57 -2.405 -5.074 -4.305 1.00 0.00 H new ATOM 0 HA TRP A 57 -5.108 -4.889 -5.495 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -3.803 -3.167 -3.354 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -5.463 -3.059 -3.906 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -3.145 -5.499 -1.962 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -4.591 -6.975 -0.406 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -7.756 -3.910 -3.491 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -7.333 -7.373 0.072 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -9.753 -4.890 -2.435 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -9.542 -6.597 -0.674 1.00 0.00 H new ATOM 811 N ARG A 58 -4.645 -2.906 -6.933 1.00 0.00 N ATOM 812 CA ARG A 58 -4.311 -1.885 -7.919 1.00 0.00 C ATOM 813 C ARG A 58 -5.459 -0.895 -8.088 1.00 0.00 C ATOM 814 O ARG A 58 -6.630 -1.278 -8.080 1.00 0.00 O ATOM 815 CB ARG A 58 -3.981 -2.535 -9.265 1.00 0.00 C ATOM 816 CG ARG A 58 -5.204 -3.046 -10.010 1.00 0.00 C ATOM 817 CD ARG A 58 -4.918 -3.225 -11.493 1.00 0.00 C ATOM 818 NE ARG A 58 -6.134 -3.150 -12.297 1.00 0.00 N ATOM 819 CZ ARG A 58 -6.271 -2.351 -13.350 1.00 0.00 C ATOM 820 NH1 ARG A 58 -5.272 -1.563 -13.722 1.00 0.00 N ATOM 821 NH2 ARG A 58 -7.409 -2.339 -14.032 1.00 0.00 N ATOM 0 H ARG A 58 -5.600 -3.260 -6.999 1.00 0.00 H new ATOM 0 HA ARG A 58 -3.437 -1.342 -7.561 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -3.461 -1.810 -9.891 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -3.294 -3.365 -9.100 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -5.521 -3.997 -9.582 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -6.030 -2.347 -9.879 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -4.218 -2.458 -11.822 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -4.435 -4.188 -11.655 1.00 0.00 H new ATOM 0 HE ARG A 58 -6.922 -3.743 -12.036 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -4.396 -1.569 -13.200 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -5.379 -0.951 -14.531 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -8.180 -2.944 -13.748 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -7.513 -1.725 -14.840 1.00 0.00 H new ATOM 835 N CYS A 59 -5.117 0.380 -8.239 1.00 0.00 N ATOM 836 CA CYS A 59 -6.118 1.426 -8.409 1.00 0.00 C ATOM 837 C CYS A 59 -6.760 1.346 -9.791 1.00 0.00 C ATOM 838 O CYS A 59 -6.144 0.873 -10.747 1.00 0.00 O ATOM 839 CB CYS A 59 -5.485 2.804 -8.207 1.00 0.00 C ATOM 840 SG CYS A 59 -6.606 4.036 -7.468 1.00 0.00 S ATOM 0 H CYS A 59 -4.153 0.714 -8.247 1.00 0.00 H new ATOM 0 HA CYS A 59 -6.894 1.277 -7.659 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -4.607 2.699 -7.570 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -5.137 3.177 -9.170 1.00 0.00 H new ATOM 845 N LEU A 60 -8.000 1.813 -9.889 1.00 0.00 N ATOM 846 CA LEU A 60 -8.725 1.795 -11.155 1.00 0.00 C ATOM 847 C LEU A 60 -8.804 3.195 -11.757 1.00 0.00 C ATOM 848 O LEU A 60 -9.059 3.354 -12.951 1.00 0.00 O ATOM 849 CB LEU A 60 -10.134 1.236 -10.949 1.00 0.00 C ATOM 850 CG LEU A 60 -11.035 1.214 -12.185 1.00 0.00 C ATOM 851 CD1 LEU A 60 -11.905 -0.033 -12.190 1.00 0.00 C ATOM 852 CD2 LEU A 60 -11.896 2.468 -12.240 1.00 0.00 C ATOM 0 H LEU A 60 -8.524 2.208 -9.108 1.00 0.00 H new ATOM 0 HA LEU A 60 -8.183 1.152 -11.848 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -10.047 0.218 -10.569 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -10.627 1.824 -10.175 1.00 0.00 H new ATOM 0 HG LEU A 60 -10.402 1.193 -13.072 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -12.539 -0.031 -13.077 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -11.271 -0.919 -12.200 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -12.530 -0.044 -11.297 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -12.530 2.435 -13.126 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -12.520 2.520 -11.348 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -11.255 3.348 -12.286 1.00 0.00 H new ATOM 864 N TRP A 61 -8.582 4.205 -10.924 1.00 0.00 N ATOM 865 CA TRP A 61 -8.625 5.591 -11.375 1.00 0.00 C ATOM 866 C TRP A 61 -7.275 6.024 -11.935 1.00 0.00 C ATOM 867 O TRP A 61 -7.174 6.431 -13.093 1.00 0.00 O ATOM 868 CB TRP A 61 -9.032 6.511 -10.222 1.00 0.00 C ATOM 869 CG TRP A 61 -10.330 6.124 -9.583 1.00 0.00 C ATOM 870 CD1 TRP A 61 -11.266 5.264 -10.083 1.00 0.00 C ATOM 871 CD2 TRP A 61 -10.837 6.584 -8.325 1.00 0.00 C ATOM 872 NE1 TRP A 61 -12.324 5.162 -9.212 1.00 0.00 N ATOM 873 CE2 TRP A 61 -12.085 5.961 -8.126 1.00 0.00 C ATOM 874 CE3 TRP A 61 -10.358 7.460 -7.348 1.00 0.00 C ATOM 875 CZ2 TRP A 61 -12.857 6.189 -6.990 1.00 0.00 C ATOM 876 CZ3 TRP A 61 -11.126 7.685 -6.221 1.00 0.00 C ATOM 877 CH2 TRP A 61 -12.364 7.052 -6.049 1.00 0.00 C ATOM 0 H TRP A 61 -8.370 4.090 -9.933 1.00 0.00 H new ATOM 0 HA TRP A 61 -9.367 5.666 -12.170 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -8.247 6.503 -9.466 1.00 0.00 H new ATOM 0 HB3 TRP A 61 -9.108 7.533 -10.592 1.00 0.00 H new ATOM 0 HD1 TRP A 61 -11.186 4.741 -11.025 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -13.153 4.585 -9.352 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -9.405 7.953 -7.471 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -13.812 5.702 -6.856 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -10.765 8.361 -5.460 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -12.940 7.249 -5.157 1.00 0.00 H new ATOM 888 N CYS A 62 -6.239 5.933 -11.108 1.00 0.00 N ATOM 889 CA CYS A 62 -4.894 6.315 -11.520 1.00 0.00 C ATOM 890 C CYS A 62 -4.138 5.117 -12.086 1.00 0.00 C ATOM 891 O CYS A 62 -3.075 5.267 -12.690 1.00 0.00 O ATOM 892 CB CYS A 62 -4.124 6.907 -10.338 1.00 0.00 C ATOM 893 SG CYS A 62 -3.605 5.677 -9.099 1.00 0.00 S ATOM 0 H CYS A 62 -6.306 5.597 -10.147 1.00 0.00 H new ATOM 0 HA CYS A 62 -4.981 7.070 -12.302 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -3.241 7.422 -10.715 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -4.747 7.657 -9.851 1.00 0.00 H new ATOM 898 N LYS A 63 -4.692 3.926 -11.886 1.00 0.00 N ATOM 899 CA LYS A 63 -4.072 2.701 -12.376 1.00 0.00 C ATOM 900 C LYS A 63 -2.706 2.487 -11.733 1.00 0.00 C ATOM 901 O LYS A 63 -1.702 2.323 -12.426 1.00 0.00 O ATOM 902 CB LYS A 63 -3.929 2.751 -13.899 1.00 0.00 C ATOM 903 CG LYS A 63 -5.248 2.940 -14.628 1.00 0.00 C ATOM 904 CD LYS A 63 -5.057 2.936 -16.136 1.00 0.00 C ATOM 905 CE LYS A 63 -5.128 1.527 -16.703 1.00 0.00 C ATOM 906 NZ LYS A 63 -4.763 1.491 -18.147 1.00 0.00 N ATOM 0 H LYS A 63 -5.570 3.783 -11.387 1.00 0.00 H new ATOM 0 HA LYS A 63 -4.716 1.864 -12.105 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -3.256 3.566 -14.166 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -3.463 1.827 -14.242 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -5.938 2.145 -14.346 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -5.703 3.881 -14.320 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.823 3.556 -16.602 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -4.093 3.381 -16.383 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -4.457 0.876 -16.143 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -6.136 1.134 -16.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -4.824 0.513 -18.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -5.418 2.092 -18.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -3.792 1.842 -18.268 1.00 0.00 H new ATOM 920 N ALA A 64 -2.675 2.489 -10.405 1.00 0.00 N ATOM 921 CA ALA A 64 -1.432 2.292 -9.669 1.00 0.00 C ATOM 922 C ALA A 64 -1.460 0.984 -8.886 1.00 0.00 C ATOM 923 O ALA A 64 -2.267 0.812 -7.973 1.00 0.00 O ATOM 924 CB ALA A 64 -1.182 3.465 -8.733 1.00 0.00 C ATOM 0 H ALA A 64 -3.497 2.625 -9.816 1.00 0.00 H new ATOM 0 HA ALA A 64 -0.616 2.236 -10.390 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -0.251 3.305 -8.190 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -1.110 4.385 -9.313 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -2.006 3.547 -8.024 1.00 0.00 H new ATOM 930 N MET A 65 -0.572 0.063 -9.249 1.00 0.00 N ATOM 931 CA MET A 65 -0.495 -1.230 -8.580 1.00 0.00 C ATOM 932 C MET A 65 0.427 -1.160 -7.367 1.00 0.00 C ATOM 933 O MET A 65 1.555 -0.674 -7.460 1.00 0.00 O ATOM 934 CB MET A 65 0.001 -2.303 -9.551 1.00 0.00 C ATOM 935 CG MET A 65 -0.841 -2.417 -10.812 1.00 0.00 C ATOM 936 SD MET A 65 0.068 -3.139 -12.191 1.00 0.00 S ATOM 937 CE MET A 65 1.072 -1.747 -12.701 1.00 0.00 C ATOM 0 H MET A 65 0.104 0.189 -10.003 1.00 0.00 H new ATOM 0 HA MET A 65 -1.496 -1.494 -8.239 1.00 0.00 H new ATOM 0 HB2 MET A 65 1.031 -2.081 -9.830 1.00 0.00 H new ATOM 0 HB3 MET A 65 0.010 -3.267 -9.041 1.00 0.00 H new ATOM 0 HG2 MET A 65 -1.721 -3.026 -10.603 1.00 0.00 H new ATOM 0 HG3 MET A 65 -1.199 -1.427 -11.096 1.00 0.00 H new ATOM 0 HE1 MET A 65 2.008 -2.110 -13.126 1.00 0.00 H new ATOM 0 HE2 MET A 65 0.534 -1.166 -13.450 1.00 0.00 H new ATOM 0 HE3 MET A 65 1.286 -1.117 -11.838 1.00 0.00 H new ATOM 947 N VAL A 66 -0.058 -1.648 -6.230 1.00 0.00 N ATOM 948 CA VAL A 66 0.723 -1.642 -4.999 1.00 0.00 C ATOM 949 C VAL A 66 0.527 -2.935 -4.217 1.00 0.00 C ATOM 950 O VAL A 66 -0.501 -3.601 -4.345 1.00 0.00 O ATOM 951 CB VAL A 66 0.346 -0.449 -4.101 1.00 0.00 C ATOM 952 CG1 VAL A 66 0.514 0.862 -4.855 1.00 0.00 C ATOM 953 CG2 VAL A 66 -1.079 -0.599 -3.587 1.00 0.00 C ATOM 0 H VAL A 66 -0.989 -2.053 -6.136 1.00 0.00 H new ATOM 0 HA VAL A 66 1.770 -1.552 -5.289 1.00 0.00 H new ATOM 0 HB VAL A 66 1.018 -0.436 -3.243 1.00 0.00 H new ATOM 0 HG11 VAL A 66 0.243 1.693 -4.204 1.00 0.00 H new ATOM 0 HG12 VAL A 66 1.552 0.971 -5.169 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -0.133 0.862 -5.733 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -1.329 0.253 -2.954 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -1.768 -0.639 -4.431 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -1.162 -1.518 -3.007 1.00 0.00 H new ATOM 963 N HIS A 67 1.520 -3.286 -3.405 1.00 0.00 N ATOM 964 CA HIS A 67 1.456 -4.500 -2.600 1.00 0.00 C ATOM 965 C HIS A 67 0.634 -4.271 -1.335 1.00 0.00 C ATOM 966 O HIS A 67 0.736 -3.223 -0.697 1.00 0.00 O ATOM 967 CB HIS A 67 2.865 -4.966 -2.230 1.00 0.00 C ATOM 968 CG HIS A 67 3.611 -5.583 -3.372 1.00 0.00 C ATOM 969 ND1 HIS A 67 4.760 -5.036 -3.903 1.00 0.00 N ATOM 970 CD2 HIS A 67 3.368 -6.708 -4.084 1.00 0.00 C ATOM 971 CE1 HIS A 67 5.190 -5.796 -4.894 1.00 0.00 C ATOM 972 NE2 HIS A 67 4.363 -6.818 -5.024 1.00 0.00 N ATOM 0 H HIS A 67 2.378 -2.747 -3.288 1.00 0.00 H new ATOM 0 HA HIS A 67 0.969 -5.274 -3.193 1.00 0.00 H new ATOM 0 HB2 HIS A 67 3.433 -4.115 -1.853 1.00 0.00 H new ATOM 0 HB3 HIS A 67 2.798 -5.689 -1.417 1.00 0.00 H new ATOM 0 HD2 HIS A 67 2.545 -7.392 -3.940 1.00 0.00 H new ATOM 0 HE1 HIS A 67 6.068 -5.613 -5.496 1.00 0.00 H new ATOM 0 HE2 HIS A 67 4.449 -7.567 -5.711 1.00 0.00 H new ATOM 980 N THR A 68 -0.181 -5.258 -0.978 1.00 0.00 N ATOM 981 CA THR A 68 -1.022 -5.163 0.209 1.00 0.00 C ATOM 982 C THR A 68 -0.324 -4.382 1.316 1.00 0.00 C ATOM 983 O THR A 68 -0.923 -3.510 1.946 1.00 0.00 O ATOM 984 CB THR A 68 -1.401 -6.558 0.742 1.00 0.00 C ATOM 985 OG1 THR A 68 -1.928 -7.361 -0.320 1.00 0.00 O ATOM 986 CG2 THR A 68 -2.426 -6.450 1.860 1.00 0.00 C ATOM 0 H THR A 68 -0.277 -6.133 -1.494 1.00 0.00 H new ATOM 0 HA THR A 68 -1.929 -4.636 -0.088 1.00 0.00 H new ATOM 0 HB THR A 68 -0.502 -7.028 1.140 1.00 0.00 H new ATOM 0 HG1 THR A 68 -2.640 -6.869 -0.780 1.00 0.00 H new ATOM 0 HG21 THR A 68 -2.678 -7.447 2.220 1.00 0.00 H new ATOM 0 HG22 THR A 68 -2.011 -5.863 2.679 1.00 0.00 H new ATOM 0 HG23 THR A 68 -3.325 -5.962 1.483 1.00 0.00 H new ATOM 994 N SER A 69 0.946 -4.698 1.548 1.00 0.00 N ATOM 995 CA SER A 69 1.725 -4.027 2.582 1.00 0.00 C ATOM 996 C SER A 69 2.103 -2.615 2.146 1.00 0.00 C ATOM 997 O SER A 69 1.856 -1.644 2.862 1.00 0.00 O ATOM 998 CB SER A 69 2.987 -4.830 2.901 1.00 0.00 C ATOM 999 OG SER A 69 3.444 -4.560 4.215 1.00 0.00 O ATOM 0 H SER A 69 1.458 -5.415 1.034 1.00 0.00 H new ATOM 0 HA SER A 69 1.110 -3.959 3.479 1.00 0.00 H new ATOM 0 HB2 SER A 69 2.780 -5.895 2.796 1.00 0.00 H new ATOM 0 HB3 SER A 69 3.769 -4.585 2.183 1.00 0.00 H new ATOM 0 HG SER A 69 4.251 -5.087 4.395 1.00 0.00 H new ATOM 1005 N CYS A 70 2.704 -2.508 0.966 1.00 0.00 N ATOM 1006 CA CYS A 70 3.119 -1.216 0.432 1.00 0.00 C ATOM 1007 C CYS A 70 1.973 -0.209 0.494 1.00 0.00 C ATOM 1008 O CYS A 70 2.149 0.922 0.947 1.00 0.00 O ATOM 1009 CB CYS A 70 3.601 -1.368 -1.012 1.00 0.00 C ATOM 1010 SG CYS A 70 5.241 -2.145 -1.170 1.00 0.00 S ATOM 0 H CYS A 70 2.915 -3.301 0.361 1.00 0.00 H new ATOM 0 HA CYS A 70 3.940 -0.844 1.045 1.00 0.00 H new ATOM 0 HB2 CYS A 70 2.874 -1.962 -1.566 1.00 0.00 H new ATOM 0 HB3 CYS A 70 3.630 -0.384 -1.480 1.00 0.00 H new ATOM 1015 N LYS A 71 0.799 -0.629 0.035 1.00 0.00 N ATOM 1016 CA LYS A 71 -0.377 0.233 0.039 1.00 0.00 C ATOM 1017 C LYS A 71 -0.376 1.149 1.259 1.00 0.00 C ATOM 1018 O LYS A 71 -0.547 2.361 1.135 1.00 0.00 O ATOM 1019 CB LYS A 71 -1.654 -0.611 0.023 1.00 0.00 C ATOM 1020 CG LYS A 71 -2.925 0.207 0.169 1.00 0.00 C ATOM 1021 CD LYS A 71 -4.099 -0.658 0.596 1.00 0.00 C ATOM 1022 CE LYS A 71 -4.592 -1.531 -0.548 1.00 0.00 C ATOM 1023 NZ LYS A 71 -5.864 -2.227 -0.206 1.00 0.00 N ATOM 0 H LYS A 71 0.637 -1.562 -0.345 1.00 0.00 H new ATOM 0 HA LYS A 71 -0.346 0.851 -0.858 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -1.698 -1.171 -0.911 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -1.607 -1.341 0.831 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -2.768 0.997 0.903 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -3.156 0.694 -0.778 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -3.802 -1.288 1.434 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -4.912 -0.023 0.947 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -4.742 -0.916 -1.436 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -3.829 -2.269 -0.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -5.967 -3.074 -0.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -5.848 -2.507 0.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -6.666 -1.587 -0.374 1.00 0.00 H new ATOM 1037 N GLU A 72 -0.181 0.561 2.435 1.00 0.00 N ATOM 1038 CA GLU A 72 -0.157 1.326 3.676 1.00 0.00 C ATOM 1039 C GLU A 72 0.882 2.442 3.607 1.00 0.00 C ATOM 1040 O GLU A 72 0.633 3.565 4.048 1.00 0.00 O ATOM 1041 CB GLU A 72 0.143 0.407 4.862 1.00 0.00 C ATOM 1042 CG GLU A 72 -0.853 -0.729 5.019 1.00 0.00 C ATOM 1043 CD GLU A 72 -2.290 -0.271 4.863 1.00 0.00 C ATOM 1044 OE1 GLU A 72 -2.591 0.877 5.250 1.00 0.00 O ATOM 1045 OE2 GLU A 72 -3.113 -1.060 4.354 1.00 0.00 O ATOM 0 H GLU A 72 -0.037 -0.442 2.554 1.00 0.00 H new ATOM 0 HA GLU A 72 -1.140 1.776 3.815 1.00 0.00 H new ATOM 0 HB2 GLU A 72 1.142 -0.011 4.743 1.00 0.00 H new ATOM 0 HB3 GLU A 72 0.152 1.000 5.777 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -0.639 -1.500 4.279 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -0.726 -1.186 6.000 1.00 0.00 H new ATOM 1052 N SER A 73 2.047 2.125 3.052 1.00 0.00 N ATOM 1053 CA SER A 73 3.126 3.098 2.930 1.00 0.00 C ATOM 1054 C SER A 73 2.690 4.288 2.080 1.00 0.00 C ATOM 1055 O SER A 73 2.867 5.443 2.469 1.00 0.00 O ATOM 1056 CB SER A 73 4.364 2.444 2.315 1.00 0.00 C ATOM 1057 OG SER A 73 5.333 3.416 1.963 1.00 0.00 O ATOM 0 H SER A 73 2.268 1.202 2.680 1.00 0.00 H new ATOM 0 HA SER A 73 3.373 3.458 3.929 1.00 0.00 H new ATOM 0 HB2 SER A 73 4.795 1.736 3.023 1.00 0.00 H new ATOM 0 HB3 SER A 73 4.077 1.875 1.431 1.00 0.00 H new ATOM 0 HG SER A 73 6.115 2.972 1.574 1.00 0.00 H new ATOM 1063 N LEU A 74 2.119 3.997 0.916 1.00 0.00 N ATOM 1064 CA LEU A 74 1.657 5.042 0.008 1.00 0.00 C ATOM 1065 C LEU A 74 0.845 6.094 0.758 1.00 0.00 C ATOM 1066 O LEU A 74 -0.189 5.788 1.353 1.00 0.00 O ATOM 1067 CB LEU A 74 0.813 4.434 -1.114 1.00 0.00 C ATOM 1068 CG LEU A 74 0.561 5.332 -2.325 1.00 0.00 C ATOM 1069 CD1 LEU A 74 1.804 5.416 -3.196 1.00 0.00 C ATOM 1070 CD2 LEU A 74 -0.624 4.819 -3.131 1.00 0.00 C ATOM 0 H LEU A 74 1.965 3.047 0.579 1.00 0.00 H new ATOM 0 HA LEU A 74 2.532 5.526 -0.426 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.303 3.523 -1.458 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -0.151 4.140 -0.698 1.00 0.00 H new ATOM 0 HG LEU A 74 0.326 6.334 -1.967 1.00 0.00 H new ATOM 0 HD11 LEU A 74 1.605 6.060 -4.053 1.00 0.00 H new ATOM 0 HD12 LEU A 74 2.628 5.830 -2.615 1.00 0.00 H new ATOM 0 HD13 LEU A 74 2.071 4.419 -3.546 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -0.789 5.470 -3.989 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -0.417 3.807 -3.478 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -1.515 4.812 -2.504 1.00 0.00 H new ATOM 1082 N LEU A 75 1.318 7.335 0.722 1.00 0.00 N ATOM 1083 CA LEU A 75 0.635 8.434 1.396 1.00 0.00 C ATOM 1084 C LEU A 75 -0.064 9.340 0.387 1.00 0.00 C ATOM 1085 O LEU A 75 -1.168 9.828 0.634 1.00 0.00 O ATOM 1086 CB LEU A 75 1.630 9.247 2.225 1.00 0.00 C ATOM 1087 CG LEU A 75 2.868 9.752 1.483 1.00 0.00 C ATOM 1088 CD1 LEU A 75 3.351 11.063 2.083 1.00 0.00 C ATOM 1089 CD2 LEU A 75 3.974 8.707 1.518 1.00 0.00 C ATOM 0 H LEU A 75 2.172 7.605 0.233 1.00 0.00 H new ATOM 0 HA LEU A 75 -0.119 8.009 2.059 1.00 0.00 H new ATOM 0 HB2 LEU A 75 1.106 10.106 2.644 1.00 0.00 H new ATOM 0 HB3 LEU A 75 1.959 8.634 3.064 1.00 0.00 H new ATOM 0 HG LEU A 75 2.597 9.930 0.442 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.233 11.408 1.543 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.562 11.811 2.005 1.00 0.00 H new ATOM 0 HD13 LEU A 75 3.605 10.911 3.132 1.00 0.00 H new ATOM 0 HD21 LEU A 75 4.847 9.083 0.985 1.00 0.00 H new ATOM 0 HD22 LEU A 75 4.243 8.497 2.553 1.00 0.00 H new ATOM 0 HD23 LEU A 75 3.625 7.791 1.041 1.00 0.00 H new ATOM 1101 N THR A 76 0.585 9.561 -0.752 1.00 0.00 N ATOM 1102 CA THR A 76 0.026 10.407 -1.798 1.00 0.00 C ATOM 1103 C THR A 76 -1.447 10.093 -2.032 1.00 0.00 C ATOM 1104 O THR A 76 -1.881 8.951 -1.877 1.00 0.00 O ATOM 1105 CB THR A 76 0.791 10.241 -3.125 1.00 0.00 C ATOM 1106 OG1 THR A 76 0.783 8.866 -3.526 1.00 0.00 O ATOM 1107 CG2 THR A 76 2.227 10.724 -2.985 1.00 0.00 C ATOM 0 H THR A 76 1.499 9.165 -0.973 1.00 0.00 H new ATOM 0 HA THR A 76 0.125 11.437 -1.456 1.00 0.00 H new ATOM 0 HB THR A 76 0.293 10.844 -3.884 1.00 0.00 H new ATOM 0 HG1 THR A 76 1.270 8.769 -4.371 1.00 0.00 H new ATOM 0 HG21 THR A 76 2.748 10.597 -3.934 1.00 0.00 H new ATOM 0 HG22 THR A 76 2.231 11.778 -2.707 1.00 0.00 H new ATOM 0 HG23 THR A 76 2.733 10.143 -2.213 1.00 0.00 H new ATOM 1115 N LYS A 77 -2.213 11.112 -2.407 1.00 0.00 N ATOM 1116 CA LYS A 77 -3.638 10.944 -2.664 1.00 0.00 C ATOM 1117 C LYS A 77 -3.894 10.654 -4.140 1.00 0.00 C ATOM 1118 O LYS A 77 -3.019 10.853 -4.983 1.00 0.00 O ATOM 1119 CB LYS A 77 -4.405 12.199 -2.240 1.00 0.00 C ATOM 1120 CG LYS A 77 -4.819 12.193 -0.778 1.00 0.00 C ATOM 1121 CD LYS A 77 -6.078 13.013 -0.552 1.00 0.00 C ATOM 1122 CE LYS A 77 -5.778 14.504 -0.540 1.00 0.00 C ATOM 1123 NZ LYS A 77 -5.703 15.065 -1.917 1.00 0.00 N ATOM 0 H LYS A 77 -1.870 12.063 -2.540 1.00 0.00 H new ATOM 0 HA LYS A 77 -3.990 10.095 -2.078 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -3.785 13.075 -2.430 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -5.295 12.298 -2.861 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -4.988 11.167 -0.451 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -4.009 12.593 -0.168 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -6.802 12.793 -1.336 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -6.536 12.725 0.394 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -6.552 15.026 0.023 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -4.834 14.681 -0.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -6.019 16.056 -1.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -4.722 15.018 -2.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -6.316 14.513 -2.550 1.00 0.00 H new ATOM 1137 N CYS A 78 -5.099 10.185 -4.445 1.00 0.00 N ATOM 1138 CA CYS A 78 -5.471 9.868 -5.819 1.00 0.00 C ATOM 1139 C CYS A 78 -6.119 11.072 -6.498 1.00 0.00 C ATOM 1140 O CYS A 78 -6.539 12.020 -5.835 1.00 0.00 O ATOM 1141 CB CYS A 78 -6.429 8.676 -5.848 1.00 0.00 C ATOM 1142 SG CYS A 78 -6.542 7.852 -7.469 1.00 0.00 S ATOM 0 H CYS A 78 -5.835 10.016 -3.759 1.00 0.00 H new ATOM 0 HA CYS A 78 -4.564 9.609 -6.365 1.00 0.00 H new ATOM 0 HB2 CYS A 78 -6.108 7.947 -5.104 1.00 0.00 H new ATOM 0 HB3 CYS A 78 -7.423 9.015 -5.555 1.00 0.00 H new ATOM 1147 N SER A 79 -6.197 11.025 -7.824 1.00 0.00 N ATOM 1148 CA SER A 79 -6.790 12.112 -8.594 1.00 0.00 C ATOM 1149 C SER A 79 -8.276 11.862 -8.831 1.00 0.00 C ATOM 1150 O SER A 79 -9.102 12.759 -8.667 1.00 0.00 O ATOM 1151 CB SER A 79 -6.068 12.270 -9.933 1.00 0.00 C ATOM 1152 OG SER A 79 -4.874 13.018 -9.783 1.00 0.00 O ATOM 0 H SER A 79 -5.857 10.246 -8.387 1.00 0.00 H new ATOM 0 HA SER A 79 -6.681 13.032 -8.020 1.00 0.00 H new ATOM 0 HB2 SER A 79 -5.836 11.287 -10.343 1.00 0.00 H new ATOM 0 HB3 SER A 79 -6.725 12.766 -10.647 1.00 0.00 H new ATOM 0 HG SER A 79 -4.430 13.104 -10.653 1.00 0.00 H new ATOM 1158 N GLY A 80 -8.609 10.634 -9.218 1.00 0.00 N ATOM 1159 CA GLY A 80 -9.995 10.286 -9.472 1.00 0.00 C ATOM 1160 C GLY A 80 -10.198 9.678 -10.846 1.00 0.00 C ATOM 1161 O GLY A 80 -9.315 9.719 -11.703 1.00 0.00 O ATOM 0 H GLY A 80 -7.944 9.874 -9.360 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -10.334 9.582 -8.713 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -10.614 11.179 -9.378 1.00 0.00 H new ATOM 1165 N PRO A 81 -11.385 9.096 -11.070 1.00 0.00 N ATOM 1166 CA PRO A 81 -11.728 8.464 -12.348 1.00 0.00 C ATOM 1167 C PRO A 81 -11.905 9.482 -13.469 1.00 0.00 C ATOM 1168 O PRO A 81 -11.612 10.666 -13.297 1.00 0.00 O ATOM 1169 CB PRO A 81 -13.055 7.760 -12.050 1.00 0.00 C ATOM 1170 CG PRO A 81 -13.646 8.528 -10.919 1.00 0.00 C ATOM 1171 CD PRO A 81 -12.484 9.010 -10.094 1.00 0.00 C ATOM 0 HA PRO A 81 -10.942 7.793 -12.695 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -13.712 7.768 -12.920 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -12.897 6.716 -11.780 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -14.240 9.366 -11.284 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -14.312 7.900 -10.327 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -12.691 9.977 -9.635 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -12.250 8.317 -9.286 1.00 0.00 H new ATOM 1179 N SER A 82 -12.386 9.015 -14.616 1.00 0.00 N ATOM 1180 CA SER A 82 -12.599 9.885 -15.767 1.00 0.00 C ATOM 1181 C SER A 82 -14.054 9.835 -16.224 1.00 0.00 C ATOM 1182 O SER A 82 -14.753 8.847 -15.999 1.00 0.00 O ATOM 1183 CB SER A 82 -11.676 9.478 -16.918 1.00 0.00 C ATOM 1184 OG SER A 82 -12.128 8.286 -17.536 1.00 0.00 O ATOM 0 H SER A 82 -12.636 8.039 -14.774 1.00 0.00 H new ATOM 0 HA SER A 82 -12.366 10.907 -15.468 1.00 0.00 H new ATOM 0 HB2 SER A 82 -11.633 10.280 -17.655 1.00 0.00 H new ATOM 0 HB3 SER A 82 -10.663 9.335 -16.543 1.00 0.00 H new ATOM 0 HG SER A 82 -11.523 8.048 -18.269 1.00 0.00 H new ATOM 1190 N SER A 83 -14.502 10.908 -16.868 1.00 0.00 N ATOM 1191 CA SER A 83 -15.875 10.989 -17.354 1.00 0.00 C ATOM 1192 C SER A 83 -16.024 10.257 -18.684 1.00 0.00 C ATOM 1193 O SER A 83 -15.849 10.843 -19.751 1.00 0.00 O ATOM 1194 CB SER A 83 -16.295 12.451 -17.514 1.00 0.00 C ATOM 1195 OG SER A 83 -17.695 12.600 -17.351 1.00 0.00 O ATOM 0 H SER A 83 -13.935 11.733 -17.065 1.00 0.00 H new ATOM 0 HA SER A 83 -16.524 10.510 -16.621 1.00 0.00 H new ATOM 0 HB2 SER A 83 -15.773 13.065 -16.780 1.00 0.00 H new ATOM 0 HB3 SER A 83 -16.000 12.812 -18.499 1.00 0.00 H new ATOM 0 HG SER A 83 -17.938 13.544 -17.456 1.00 0.00 H new ATOM 1201 N GLY A 84 -16.349 8.969 -18.610 1.00 0.00 N ATOM 1202 CA GLY A 84 -16.517 8.176 -19.814 1.00 0.00 C ATOM 1203 C GLY A 84 -15.496 8.518 -20.880 1.00 0.00 C ATOM 1204 O GLY A 84 -15.885 8.923 -21.975 1.00 0.00 O ATOM 0 H GLY A 84 -16.499 8.461 -17.738 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -16.435 7.118 -19.563 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -17.520 8.333 -20.212 1.00 0.00 H new TER 1208 GLY A 84 HETATM 1209 ZN ZN A 201 -5.203 5.946 -7.425 1.00 0.00 ZN HETATM 1210 ZN ZN A 401 5.524 -2.889 -3.360 1.00 0.00 ZN