USER MOD reduce.3.24.130724 H: found=0, std=0, add=600, rem=0, adj=26 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+ -112:sc= 0.0396 (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 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 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ -157:sc= -0.0777 (180deg=-0.503) USER MOD Single : A 26 MET CE :methyl 157:sc= -0.266 (180deg=-1.01) USER MOD Single : A 29 GLN : amide:sc= -0.425 X(o=-0.42,f=-0.39) USER MOD Single : A 34 ASN : amide:sc= -0.0184 X(o=-0.018,f=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0124) USER MOD Single : A 42 THR OG1 : rot -48:sc= 0.407 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 3:sc= -0.961 USER MOD Single : A 50 SER OG : rot 78:sc= 0.57 USER MOD Single : A 55 GLN : amide:sc= -0.475 X(o=-0.47,f=0) USER MOD Single : A 63 LYS NZ :NH3+ -145:sc= 0.508 (180deg=0.121) USER MOD Single : A 65 MET CE :methyl 153:sc= -0.02 (180deg=-0.228) USER MOD Single : A 68 THR OG1 : rot -55:sc= 0.26 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 157:sc= 0.796 (180deg=-0.324) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.27 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 -64.595 31.002 -1.377 1.00 0.00 N ATOM 2 CA GLY A 1 -63.329 31.245 -0.711 1.00 0.00 C ATOM 3 C GLY A 1 -63.472 31.314 0.797 1.00 0.00 C ATOM 4 O GLY A 1 -64.536 31.658 1.311 1.00 0.00 O ATOM 0 H1 GLY A 1 -64.585 30.055 -1.807 1.00 0.00 H new ATOM 0 H2 GLY A 1 -65.368 31.059 -0.684 1.00 0.00 H new ATOM 0 H3 GLY A 1 -64.740 31.717 -2.118 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -62.627 30.452 -0.971 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -62.903 32.180 -1.076 1.00 0.00 H new ATOM 8 N SER A 2 -62.398 30.985 1.507 1.00 0.00 N ATOM 9 CA SER A 2 -62.409 31.006 2.965 1.00 0.00 C ATOM 10 C SER A 2 -61.416 32.032 3.502 1.00 0.00 C ATOM 11 O SER A 2 -60.616 32.591 2.750 1.00 0.00 O ATOM 12 CB SER A 2 -62.077 29.619 3.519 1.00 0.00 C ATOM 13 OG SER A 2 -60.694 29.338 3.393 1.00 0.00 O ATOM 0 H SER A 2 -61.509 30.701 1.096 1.00 0.00 H new ATOM 0 HA SER A 2 -63.409 31.290 3.292 1.00 0.00 H new ATOM 0 HB2 SER A 2 -62.369 29.563 4.568 1.00 0.00 H new ATOM 0 HB3 SER A 2 -62.655 28.863 2.987 1.00 0.00 H new ATOM 0 HG SER A 2 -60.507 28.447 3.756 1.00 0.00 H new ATOM 19 N SER A 3 -61.473 32.275 4.807 1.00 0.00 N ATOM 20 CA SER A 3 -60.581 33.237 5.445 1.00 0.00 C ATOM 21 C SER A 3 -59.600 32.532 6.377 1.00 0.00 C ATOM 22 O SER A 3 -59.711 31.332 6.621 1.00 0.00 O ATOM 23 CB SER A 3 -61.390 34.273 6.228 1.00 0.00 C ATOM 24 OG SER A 3 -62.284 34.971 5.377 1.00 0.00 O ATOM 0 H SER A 3 -62.127 31.820 5.444 1.00 0.00 H new ATOM 0 HA SER A 3 -60.014 33.744 4.664 1.00 0.00 H new ATOM 0 HB2 SER A 3 -61.950 33.778 7.021 1.00 0.00 H new ATOM 0 HB3 SER A 3 -60.714 34.980 6.709 1.00 0.00 H new ATOM 0 HG SER A 3 -62.791 35.626 5.901 1.00 0.00 H new ATOM 30 N GLY A 4 -58.638 33.290 6.895 1.00 0.00 N ATOM 31 CA GLY A 4 -57.650 32.722 7.794 1.00 0.00 C ATOM 32 C GLY A 4 -56.812 33.783 8.480 1.00 0.00 C ATOM 33 O GLY A 4 -57.316 34.849 8.834 1.00 0.00 O ATOM 0 H GLY A 4 -58.525 34.286 6.708 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -58.154 32.118 8.548 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -56.996 32.053 7.234 1.00 0.00 H new ATOM 37 N SER A 5 -55.529 33.492 8.668 1.00 0.00 N ATOM 38 CA SER A 5 -54.620 34.427 9.320 1.00 0.00 C ATOM 39 C SER A 5 -53.170 34.117 8.959 1.00 0.00 C ATOM 40 O SER A 5 -52.873 33.073 8.379 1.00 0.00 O ATOM 41 CB SER A 5 -54.803 34.373 10.838 1.00 0.00 C ATOM 42 OG SER A 5 -54.367 35.576 11.447 1.00 0.00 O ATOM 0 H SER A 5 -55.095 32.616 8.378 1.00 0.00 H new ATOM 0 HA SER A 5 -54.856 35.431 8.968 1.00 0.00 H new ATOM 0 HB2 SER A 5 -55.853 34.201 11.075 1.00 0.00 H new ATOM 0 HB3 SER A 5 -54.243 33.532 11.245 1.00 0.00 H new ATOM 0 HG SER A 5 -54.496 35.517 12.417 1.00 0.00 H new ATOM 48 N SER A 6 -52.272 35.033 9.307 1.00 0.00 N ATOM 49 CA SER A 6 -50.853 34.860 9.018 1.00 0.00 C ATOM 50 C SER A 6 -50.013 35.865 9.800 1.00 0.00 C ATOM 51 O SER A 6 -50.545 36.721 10.504 1.00 0.00 O ATOM 52 CB SER A 6 -50.594 35.019 7.518 1.00 0.00 C ATOM 53 OG SER A 6 -50.836 36.351 7.097 1.00 0.00 O ATOM 0 H SER A 6 -52.502 35.902 9.789 1.00 0.00 H new ATOM 0 HA SER A 6 -50.564 33.855 9.325 1.00 0.00 H new ATOM 0 HB2 SER A 6 -49.563 34.745 7.293 1.00 0.00 H new ATOM 0 HB3 SER A 6 -51.235 34.336 6.961 1.00 0.00 H new ATOM 0 HG SER A 6 -50.662 36.427 6.136 1.00 0.00 H new ATOM 59 N GLY A 7 -48.694 35.753 9.670 1.00 0.00 N ATOM 60 CA GLY A 7 -47.800 36.657 10.369 1.00 0.00 C ATOM 61 C GLY A 7 -46.505 36.888 9.617 1.00 0.00 C ATOM 62 O GLY A 7 -46.516 37.212 8.429 1.00 0.00 O ATOM 0 H GLY A 7 -48.229 35.052 9.093 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -48.302 37.612 10.524 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -47.576 36.251 11.356 1.00 0.00 H new ATOM 66 N THR A 8 -45.382 36.724 10.311 1.00 0.00 N ATOM 67 CA THR A 8 -44.072 36.919 9.703 1.00 0.00 C ATOM 68 C THR A 8 -43.127 35.776 10.054 1.00 0.00 C ATOM 69 O THR A 8 -43.269 35.136 11.097 1.00 0.00 O ATOM 70 CB THR A 8 -43.439 38.250 10.149 1.00 0.00 C ATOM 71 OG1 THR A 8 -42.230 38.487 9.418 1.00 0.00 O ATOM 72 CG2 THR A 8 -43.141 38.235 11.641 1.00 0.00 C ATOM 0 H THR A 8 -45.354 36.456 11.295 1.00 0.00 H new ATOM 0 HA THR A 8 -44.224 36.941 8.624 1.00 0.00 H new ATOM 0 HB THR A 8 -44.150 39.051 9.945 1.00 0.00 H new ATOM 0 HG1 THR A 8 -41.835 39.336 9.706 1.00 0.00 H new ATOM 0 HG21 THR A 8 -42.694 39.186 11.932 1.00 0.00 H new ATOM 0 HG22 THR A 8 -44.067 38.084 12.196 1.00 0.00 H new ATOM 0 HG23 THR A 8 -42.448 37.424 11.865 1.00 0.00 H new ATOM 80 N THR A 9 -42.159 35.524 9.178 1.00 0.00 N ATOM 81 CA THR A 9 -41.190 34.458 9.396 1.00 0.00 C ATOM 82 C THR A 9 -39.777 34.922 9.060 1.00 0.00 C ATOM 83 O THR A 9 -39.553 35.576 8.040 1.00 0.00 O ATOM 84 CB THR A 9 -41.524 33.214 8.551 1.00 0.00 C ATOM 85 OG1 THR A 9 -42.865 32.789 8.815 1.00 0.00 O ATOM 86 CG2 THR A 9 -40.558 32.079 8.854 1.00 0.00 C ATOM 0 H THR A 9 -42.026 36.044 8.311 1.00 0.00 H new ATOM 0 HA THR A 9 -41.242 34.195 10.453 1.00 0.00 H new ATOM 0 HB THR A 9 -41.428 33.480 7.498 1.00 0.00 H new ATOM 0 HG1 THR A 9 -43.070 31.999 8.273 1.00 0.00 H new ATOM 0 HG21 THR A 9 -40.814 31.211 8.246 1.00 0.00 H new ATOM 0 HG22 THR A 9 -39.541 32.396 8.625 1.00 0.00 H new ATOM 0 HG23 THR A 9 -40.626 31.815 9.909 1.00 0.00 H new ATOM 94 N LEU A 10 -38.826 34.580 9.922 1.00 0.00 N ATOM 95 CA LEU A 10 -37.433 34.961 9.716 1.00 0.00 C ATOM 96 C LEU A 10 -36.670 33.861 8.987 1.00 0.00 C ATOM 97 O LEU A 10 -36.521 32.751 9.499 1.00 0.00 O ATOM 98 CB LEU A 10 -36.762 35.261 11.057 1.00 0.00 C ATOM 99 CG LEU A 10 -35.672 36.333 11.038 1.00 0.00 C ATOM 100 CD1 LEU A 10 -34.460 35.849 10.257 1.00 0.00 C ATOM 101 CD2 LEU A 10 -36.208 37.628 10.444 1.00 0.00 C ATOM 0 H LEU A 10 -38.994 34.039 10.770 1.00 0.00 H new ATOM 0 HA LEU A 10 -37.415 35.860 9.099 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -37.532 35.567 11.765 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -36.328 34.337 11.438 1.00 0.00 H new ATOM 0 HG LEU A 10 -35.363 36.527 12.065 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -33.695 36.625 10.255 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -34.062 34.949 10.725 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -34.754 35.626 9.231 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -35.419 38.380 10.438 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -36.545 37.448 9.423 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -37.045 37.985 11.045 1.00 0.00 H new ATOM 113 N ALA A 11 -36.186 34.176 7.790 1.00 0.00 N ATOM 114 CA ALA A 11 -35.433 33.215 6.993 1.00 0.00 C ATOM 115 C ALA A 11 -33.984 33.131 7.458 1.00 0.00 C ATOM 116 O ALA A 11 -33.431 34.100 7.978 1.00 0.00 O ATOM 117 CB ALA A 11 -35.495 33.589 5.519 1.00 0.00 C ATOM 0 H ALA A 11 -36.302 35.089 7.351 1.00 0.00 H new ATOM 0 HA ALA A 11 -35.888 32.234 7.128 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -34.929 32.863 4.935 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -36.533 33.590 5.187 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -35.067 34.582 5.377 1.00 0.00 H new ATOM 123 N SER A 12 -33.373 31.965 7.269 1.00 0.00 N ATOM 124 CA SER A 12 -31.989 31.753 7.675 1.00 0.00 C ATOM 125 C SER A 12 -31.194 31.079 6.560 1.00 0.00 C ATOM 126 O SER A 12 -31.766 30.547 5.609 1.00 0.00 O ATOM 127 CB SER A 12 -31.932 30.901 8.944 1.00 0.00 C ATOM 128 OG SER A 12 -32.151 29.532 8.650 1.00 0.00 O ATOM 0 H SER A 12 -33.815 31.153 6.837 1.00 0.00 H new ATOM 0 HA SER A 12 -31.543 32.726 7.880 1.00 0.00 H new ATOM 0 HB2 SER A 12 -30.961 31.022 9.424 1.00 0.00 H new ATOM 0 HB3 SER A 12 -32.683 31.249 9.653 1.00 0.00 H new ATOM 0 HG SER A 12 -32.108 29.009 9.477 1.00 0.00 H new ATOM 134 N ILE A 13 -29.871 31.108 6.685 1.00 0.00 N ATOM 135 CA ILE A 13 -28.997 30.500 5.690 1.00 0.00 C ATOM 136 C ILE A 13 -28.310 29.258 6.247 1.00 0.00 C ATOM 137 O ILE A 13 -28.090 29.146 7.452 1.00 0.00 O ATOM 138 CB ILE A 13 -27.924 31.492 5.202 1.00 0.00 C ATOM 139 CG1 ILE A 13 -27.036 31.931 6.369 1.00 0.00 C ATOM 140 CG2 ILE A 13 -28.578 32.697 4.544 1.00 0.00 C ATOM 141 CD1 ILE A 13 -25.883 30.990 6.638 1.00 0.00 C ATOM 0 H ILE A 13 -29.382 31.546 7.465 1.00 0.00 H new ATOM 0 HA ILE A 13 -29.627 30.216 4.847 1.00 0.00 H new ATOM 0 HB ILE A 13 -27.298 30.994 4.462 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -26.642 32.926 6.161 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -27.646 32.012 7.269 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -27.807 33.389 4.204 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -29.172 32.368 3.691 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -29.224 33.199 5.264 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -25.297 31.364 7.478 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -26.270 30.000 6.878 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -25.250 30.928 5.753 1.00 0.00 H new ATOM 153 N GLY A 14 -27.971 28.327 5.360 1.00 0.00 N ATOM 154 CA GLY A 14 -27.310 27.106 5.782 1.00 0.00 C ATOM 155 C GLY A 14 -25.835 27.094 5.433 1.00 0.00 C ATOM 156 O GLY A 14 -25.201 28.146 5.348 1.00 0.00 O ATOM 0 H GLY A 14 -28.142 28.397 4.357 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -27.426 26.987 6.859 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -27.798 26.252 5.313 1.00 0.00 H new ATOM 160 N LYS A 15 -25.286 25.902 5.230 1.00 0.00 N ATOM 161 CA LYS A 15 -23.876 25.756 4.889 1.00 0.00 C ATOM 162 C LYS A 15 -23.630 24.449 4.140 1.00 0.00 C ATOM 163 O LYS A 15 -23.891 23.365 4.662 1.00 0.00 O ATOM 164 CB LYS A 15 -23.016 25.801 6.154 1.00 0.00 C ATOM 165 CG LYS A 15 -23.484 24.850 7.241 1.00 0.00 C ATOM 166 CD LYS A 15 -24.571 25.475 8.099 1.00 0.00 C ATOM 167 CE LYS A 15 -23.982 26.345 9.199 1.00 0.00 C ATOM 168 NZ LYS A 15 -23.216 25.541 10.191 1.00 0.00 N ATOM 0 H LYS A 15 -25.797 25.022 5.296 1.00 0.00 H new ATOM 0 HA LYS A 15 -23.598 26.585 4.239 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -21.986 25.561 5.892 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -23.016 26.818 6.547 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -23.860 23.933 6.787 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -22.639 24.570 7.870 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -25.230 26.076 7.472 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -25.182 24.689 8.543 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -23.327 27.096 8.757 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -24.784 26.881 9.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -23.166 26.058 11.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -23.693 24.629 10.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -22.254 25.374 9.834 1.00 0.00 H new ATOM 182 N ASP A 16 -23.126 24.560 2.916 1.00 0.00 N ATOM 183 CA ASP A 16 -22.843 23.388 2.097 1.00 0.00 C ATOM 184 C ASP A 16 -21.465 22.818 2.422 1.00 0.00 C ATOM 185 O ASP A 16 -20.458 23.521 2.343 1.00 0.00 O ATOM 186 CB ASP A 16 -22.923 23.745 0.612 1.00 0.00 C ATOM 187 CG ASP A 16 -21.654 24.403 0.105 1.00 0.00 C ATOM 188 OD1 ASP A 16 -21.521 25.634 0.264 1.00 0.00 O ATOM 189 OD2 ASP A 16 -20.795 23.686 -0.450 1.00 0.00 O ATOM 0 H ASP A 16 -22.905 25.450 2.469 1.00 0.00 H new ATOM 0 HA ASP A 16 -23.593 22.629 2.321 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -23.116 22.841 0.034 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -23.767 24.415 0.447 1.00 0.00 H new ATOM 194 N ILE A 17 -21.430 21.541 2.788 1.00 0.00 N ATOM 195 CA ILE A 17 -20.177 20.878 3.125 1.00 0.00 C ATOM 196 C ILE A 17 -19.208 20.904 1.948 1.00 0.00 C ATOM 197 O ILE A 17 -19.533 20.446 0.852 1.00 0.00 O ATOM 198 CB ILE A 17 -20.410 19.416 3.551 1.00 0.00 C ATOM 199 CG1 ILE A 17 -21.302 19.361 4.793 1.00 0.00 C ATOM 200 CG2 ILE A 17 -19.082 18.723 3.814 1.00 0.00 C ATOM 201 CD1 ILE A 17 -20.621 19.858 6.049 1.00 0.00 C ATOM 0 H ILE A 17 -22.255 20.945 2.859 1.00 0.00 H new ATOM 0 HA ILE A 17 -19.745 21.427 3.961 1.00 0.00 H new ATOM 0 HB ILE A 17 -20.916 18.892 2.740 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -22.197 19.957 4.614 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -21.630 18.333 4.950 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -19.263 17.691 4.114 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -18.479 18.736 2.906 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -18.551 19.244 4.610 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -21.312 19.790 6.889 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -19.742 19.247 6.252 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -20.317 20.896 5.912 1.00 0.00 H new ATOM 213 N ILE A 18 -18.015 21.440 2.183 1.00 0.00 N ATOM 214 CA ILE A 18 -16.997 21.523 1.143 1.00 0.00 C ATOM 215 C ILE A 18 -16.613 20.136 0.639 1.00 0.00 C ATOM 216 O ILE A 18 -16.312 19.240 1.427 1.00 0.00 O ATOM 217 CB ILE A 18 -15.732 22.241 1.649 1.00 0.00 C ATOM 218 CG1 ILE A 18 -14.940 21.327 2.586 1.00 0.00 C ATOM 219 CG2 ILE A 18 -16.105 23.537 2.355 1.00 0.00 C ATOM 220 CD1 ILE A 18 -15.740 20.841 3.775 1.00 0.00 C ATOM 0 H ILE A 18 -17.730 21.823 3.084 1.00 0.00 H new ATOM 0 HA ILE A 18 -17.428 22.099 0.324 1.00 0.00 H new ATOM 0 HB ILE A 18 -15.103 22.484 0.792 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -14.582 20.465 2.023 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -14.060 21.862 2.944 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -15.200 24.033 2.707 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -16.631 24.192 1.660 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -16.751 23.316 3.204 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -15.116 20.198 4.396 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -16.076 21.696 4.361 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -16.605 20.278 3.426 1.00 0.00 H new ATOM 232 N GLU A 19 -16.623 19.968 -0.680 1.00 0.00 N ATOM 233 CA GLU A 19 -16.274 18.690 -1.289 1.00 0.00 C ATOM 234 C GLU A 19 -15.271 18.884 -2.423 1.00 0.00 C ATOM 235 O GLU A 19 -14.240 18.213 -2.476 1.00 0.00 O ATOM 236 CB GLU A 19 -17.529 17.992 -1.817 1.00 0.00 C ATOM 237 CG GLU A 19 -17.249 16.650 -2.473 1.00 0.00 C ATOM 238 CD GLU A 19 -16.652 15.643 -1.509 1.00 0.00 C ATOM 239 OE1 GLU A 19 -16.986 15.701 -0.307 1.00 0.00 O ATOM 240 OE2 GLU A 19 -15.849 14.798 -1.957 1.00 0.00 O ATOM 0 H GLU A 19 -16.869 20.700 -1.346 1.00 0.00 H new ATOM 0 HA GLU A 19 -15.814 18.065 -0.523 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -18.227 17.845 -0.993 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -18.021 18.644 -2.539 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -18.176 16.250 -2.883 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -16.567 16.794 -3.311 1.00 0.00 H new ATOM 247 N ASP A 20 -15.582 19.805 -3.329 1.00 0.00 N ATOM 248 CA ASP A 20 -14.709 20.088 -4.462 1.00 0.00 C ATOM 249 C ASP A 20 -14.057 21.459 -4.317 1.00 0.00 C ATOM 250 O ASP A 20 -14.680 22.485 -4.589 1.00 0.00 O ATOM 251 CB ASP A 20 -15.498 20.020 -5.770 1.00 0.00 C ATOM 252 CG ASP A 20 -16.877 20.639 -5.648 1.00 0.00 C ATOM 253 OD1 ASP A 20 -17.818 19.920 -5.251 1.00 0.00 O ATOM 254 OD2 ASP A 20 -17.015 21.844 -5.947 1.00 0.00 O ATOM 0 H ASP A 20 -16.432 20.368 -3.301 1.00 0.00 H new ATOM 0 HA ASP A 20 -13.923 19.333 -4.481 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -14.941 20.533 -6.554 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -15.596 18.979 -6.078 1.00 0.00 H new ATOM 259 N ALA A 21 -12.801 21.469 -3.885 1.00 0.00 N ATOM 260 CA ALA A 21 -12.065 22.714 -3.704 1.00 0.00 C ATOM 261 C ALA A 21 -10.865 22.783 -4.643 1.00 0.00 C ATOM 262 O ALA A 21 -9.721 22.875 -4.197 1.00 0.00 O ATOM 263 CB ALA A 21 -11.615 22.856 -2.258 1.00 0.00 C ATOM 0 H ALA A 21 -12.271 20.629 -3.654 1.00 0.00 H new ATOM 0 HA ALA A 21 -12.732 23.541 -3.948 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -11.067 23.790 -2.138 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -12.487 22.860 -1.604 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -10.968 22.019 -1.994 1.00 0.00 H new ATOM 269 N ASP A 22 -11.133 22.738 -5.943 1.00 0.00 N ATOM 270 CA ASP A 22 -10.075 22.796 -6.945 1.00 0.00 C ATOM 271 C ASP A 22 -9.077 21.659 -6.748 1.00 0.00 C ATOM 272 O ASP A 22 -7.866 21.868 -6.788 1.00 0.00 O ATOM 273 CB ASP A 22 -9.352 24.143 -6.877 1.00 0.00 C ATOM 274 CG ASP A 22 -10.038 25.211 -7.705 1.00 0.00 C ATOM 275 OD1 ASP A 22 -11.228 25.488 -7.447 1.00 0.00 O ATOM 276 OD2 ASP A 22 -9.386 25.769 -8.612 1.00 0.00 O ATOM 0 H ASP A 22 -12.074 22.661 -6.328 1.00 0.00 H new ATOM 0 HA ASP A 22 -10.533 22.687 -7.928 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -9.298 24.471 -5.839 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -8.327 24.020 -7.226 1.00 0.00 H new ATOM 281 N GLY A 23 -9.596 20.454 -6.534 1.00 0.00 N ATOM 282 CA GLY A 23 -8.737 19.301 -6.333 1.00 0.00 C ATOM 283 C GLY A 23 -9.316 18.313 -5.340 1.00 0.00 C ATOM 284 O GLY A 23 -8.684 17.990 -4.334 1.00 0.00 O ATOM 0 H GLY A 23 -10.596 20.255 -6.496 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -8.577 18.800 -7.288 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -7.761 19.636 -5.981 1.00 0.00 H new ATOM 288 N ILE A 24 -10.523 17.832 -5.622 1.00 0.00 N ATOM 289 CA ILE A 24 -11.187 16.875 -4.745 1.00 0.00 C ATOM 290 C ILE A 24 -10.184 15.902 -4.133 1.00 0.00 C ATOM 291 O ILE A 24 -9.209 15.515 -4.776 1.00 0.00 O ATOM 292 CB ILE A 24 -12.266 16.076 -5.499 1.00 0.00 C ATOM 293 CG1 ILE A 24 -13.147 17.017 -6.322 1.00 0.00 C ATOM 294 CG2 ILE A 24 -13.109 15.272 -4.521 1.00 0.00 C ATOM 295 CD1 ILE A 24 -12.647 17.233 -7.734 1.00 0.00 C ATOM 0 H ILE A 24 -11.060 18.089 -6.450 1.00 0.00 H new ATOM 0 HA ILE A 24 -11.662 17.451 -3.951 1.00 0.00 H new ATOM 0 HB ILE A 24 -11.774 15.382 -6.180 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -14.159 16.613 -6.361 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -13.208 17.980 -5.815 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -13.867 14.713 -5.069 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -12.470 14.578 -3.975 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -13.595 15.948 -3.818 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -13.320 17.911 -8.259 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -11.647 17.666 -7.704 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -12.613 16.278 -8.258 1.00 0.00 H new ATOM 307 N ALA A 25 -10.433 15.511 -2.888 1.00 0.00 N ATOM 308 CA ALA A 25 -9.554 14.580 -2.190 1.00 0.00 C ATOM 309 C ALA A 25 -9.917 13.135 -2.514 1.00 0.00 C ATOM 310 O ALA A 25 -9.911 12.272 -1.637 1.00 0.00 O ATOM 311 CB ALA A 25 -9.618 14.818 -0.689 1.00 0.00 C ATOM 0 H ALA A 25 -11.236 15.824 -2.342 1.00 0.00 H new ATOM 0 HA ALA A 25 -8.534 14.757 -2.532 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -8.957 14.116 -0.181 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -9.303 15.838 -0.469 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.640 14.671 -0.341 1.00 0.00 H new ATOM 317 N MET A 26 -10.234 12.878 -3.779 1.00 0.00 N ATOM 318 CA MET A 26 -10.599 11.536 -4.218 1.00 0.00 C ATOM 319 C MET A 26 -9.592 10.507 -3.714 1.00 0.00 C ATOM 320 O MET A 26 -8.399 10.574 -4.010 1.00 0.00 O ATOM 321 CB MET A 26 -10.682 11.481 -5.745 1.00 0.00 C ATOM 322 CG MET A 26 -11.710 12.434 -6.333 1.00 0.00 C ATOM 323 SD MET A 26 -12.092 12.067 -8.056 1.00 0.00 S ATOM 324 CE MET A 26 -13.544 11.036 -7.870 1.00 0.00 C ATOM 0 H MET A 26 -10.245 13.581 -4.518 1.00 0.00 H new ATOM 0 HA MET A 26 -11.577 11.297 -3.800 1.00 0.00 H new ATOM 0 HB2 MET A 26 -9.702 11.714 -6.162 1.00 0.00 H new ATOM 0 HB3 MET A 26 -10.925 10.463 -6.051 1.00 0.00 H new ATOM 0 HG2 MET A 26 -12.625 12.384 -5.743 1.00 0.00 H new ATOM 0 HG3 MET A 26 -11.338 13.456 -6.257 1.00 0.00 H new ATOM 0 HE1 MET A 26 -14.129 11.062 -8.790 1.00 0.00 H new ATOM 0 HE2 MET A 26 -13.238 10.011 -7.663 1.00 0.00 H new ATOM 0 HE3 MET A 26 -14.151 11.407 -7.044 1.00 0.00 H new ATOM 334 N PRO A 27 -10.082 9.531 -2.936 1.00 0.00 N ATOM 335 CA PRO A 27 -9.242 8.469 -2.375 1.00 0.00 C ATOM 336 C PRO A 27 -8.742 7.501 -3.442 1.00 0.00 C ATOM 337 O PRO A 27 -8.978 7.699 -4.634 1.00 0.00 O ATOM 338 CB PRO A 27 -10.180 7.752 -1.400 1.00 0.00 C ATOM 339 CG PRO A 27 -11.548 8.019 -1.925 1.00 0.00 C ATOM 340 CD PRO A 27 -11.495 9.389 -2.543 1.00 0.00 C ATOM 0 HA PRO A 27 -8.341 8.866 -1.907 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -9.971 6.683 -1.364 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -10.064 8.134 -0.386 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -11.836 7.269 -2.662 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -12.287 7.980 -1.125 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -12.161 9.468 -3.402 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -11.795 10.161 -1.835 1.00 0.00 H new ATOM 348 N HIS A 28 -8.051 6.452 -3.006 1.00 0.00 N ATOM 349 CA HIS A 28 -7.519 5.452 -3.925 1.00 0.00 C ATOM 350 C HIS A 28 -8.392 4.200 -3.930 1.00 0.00 C ATOM 351 O HIS A 28 -8.423 3.450 -2.955 1.00 0.00 O ATOM 352 CB HIS A 28 -6.086 5.086 -3.539 1.00 0.00 C ATOM 353 CG HIS A 28 -5.104 6.196 -3.760 1.00 0.00 C ATOM 354 ND1 HIS A 28 -4.687 6.593 -5.013 1.00 0.00 N ATOM 355 CD2 HIS A 28 -4.459 6.995 -2.879 1.00 0.00 C ATOM 356 CE1 HIS A 28 -3.826 7.588 -4.893 1.00 0.00 C ATOM 357 NE2 HIS A 28 -3.670 7.851 -3.608 1.00 0.00 N ATOM 0 H HIS A 28 -7.847 6.273 -2.023 1.00 0.00 H new ATOM 0 HA HIS A 28 -7.520 5.879 -4.928 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -6.064 4.796 -2.488 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -5.774 4.216 -4.116 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -4.548 6.965 -1.803 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -3.334 8.099 -5.707 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -3.062 8.573 -3.220 1.00 0.00 H new ATOM 365 N GLN A 29 -9.099 3.983 -5.034 1.00 0.00 N ATOM 366 CA GLN A 29 -9.973 2.823 -5.165 1.00 0.00 C ATOM 367 C GLN A 29 -9.165 1.561 -5.446 1.00 0.00 C ATOM 368 O GLN A 29 -8.904 1.224 -6.601 1.00 0.00 O ATOM 369 CB GLN A 29 -10.992 3.050 -6.283 1.00 0.00 C ATOM 370 CG GLN A 29 -12.207 2.140 -6.193 1.00 0.00 C ATOM 371 CD GLN A 29 -12.879 2.196 -4.835 1.00 0.00 C ATOM 372 OE1 GLN A 29 -13.126 1.165 -4.209 1.00 0.00 O ATOM 373 NE2 GLN A 29 -13.179 3.404 -4.373 1.00 0.00 N ATOM 0 H GLN A 29 -9.084 4.595 -5.850 1.00 0.00 H new ATOM 0 HA GLN A 29 -10.502 2.690 -4.221 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -11.323 4.088 -6.256 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -10.504 2.896 -7.245 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -12.926 2.423 -6.962 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -11.904 1.114 -6.402 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -12.956 4.231 -4.926 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -13.633 3.505 -3.465 1.00 0.00 H new ATOM 382 N TRP A 30 -8.771 0.868 -4.384 1.00 0.00 N ATOM 383 CA TRP A 30 -7.991 -0.357 -4.516 1.00 0.00 C ATOM 384 C TRP A 30 -8.883 -1.530 -4.910 1.00 0.00 C ATOM 385 O TRP A 30 -10.024 -1.633 -4.459 1.00 0.00 O ATOM 386 CB TRP A 30 -7.266 -0.669 -3.206 1.00 0.00 C ATOM 387 CG TRP A 30 -6.370 0.441 -2.745 1.00 0.00 C ATOM 388 CD1 TRP A 30 -6.477 1.151 -1.583 1.00 0.00 C ATOM 389 CD2 TRP A 30 -5.232 0.967 -3.436 1.00 0.00 C ATOM 390 NE1 TRP A 30 -5.474 2.088 -1.511 1.00 0.00 N ATOM 391 CE2 TRP A 30 -4.697 1.995 -2.635 1.00 0.00 C ATOM 392 CE3 TRP A 30 -4.613 0.670 -4.653 1.00 0.00 C ATOM 393 CZ2 TRP A 30 -3.573 2.725 -3.014 1.00 0.00 C ATOM 394 CZ3 TRP A 30 -3.498 1.395 -5.027 1.00 0.00 C ATOM 395 CH2 TRP A 30 -2.987 2.412 -4.210 1.00 0.00 C ATOM 0 H TRP A 30 -8.979 1.134 -3.421 1.00 0.00 H new ATOM 0 HA TRP A 30 -7.253 -0.205 -5.303 1.00 0.00 H new ATOM 0 HB2 TRP A 30 -8.004 -0.877 -2.431 1.00 0.00 H new ATOM 0 HB3 TRP A 30 -6.674 -1.575 -3.333 1.00 0.00 H new ATOM 0 HD1 TRP A 30 -7.238 0.999 -0.832 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -5.331 2.746 -0.745 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -4.999 -0.112 -5.290 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -3.178 3.510 -2.386 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 -3.012 1.174 -5.966 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -2.113 2.960 -4.531 1.00 0.00 H new ATOM 406 N LEU A 31 -8.356 -2.411 -5.752 1.00 0.00 N ATOM 407 CA LEU A 31 -9.104 -3.578 -6.206 1.00 0.00 C ATOM 408 C LEU A 31 -8.290 -4.854 -6.018 1.00 0.00 C ATOM 409 O LEU A 31 -7.335 -5.105 -6.752 1.00 0.00 O ATOM 410 CB LEU A 31 -9.493 -3.419 -7.677 1.00 0.00 C ATOM 411 CG LEU A 31 -10.698 -4.234 -8.145 1.00 0.00 C ATOM 412 CD1 LEU A 31 -11.995 -3.567 -7.713 1.00 0.00 C ATOM 413 CD2 LEU A 31 -10.667 -4.413 -9.656 1.00 0.00 C ATOM 0 H LEU A 31 -7.413 -2.340 -6.135 1.00 0.00 H new ATOM 0 HA LEU A 31 -10.009 -3.655 -5.604 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -9.697 -2.365 -7.866 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -8.635 -3.692 -8.291 1.00 0.00 H new ATOM 0 HG LEU A 31 -10.648 -5.219 -7.681 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -12.842 -4.162 -8.055 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -12.021 -3.491 -6.626 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -12.053 -2.569 -8.148 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -11.533 -4.996 -9.971 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -10.692 -3.436 -10.139 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -9.754 -4.936 -9.942 1.00 0.00 H new ATOM 425 N GLU A 32 -8.677 -5.657 -5.032 1.00 0.00 N ATOM 426 CA GLU A 32 -7.984 -6.908 -4.750 1.00 0.00 C ATOM 427 C GLU A 32 -7.881 -7.769 -6.006 1.00 0.00 C ATOM 428 O GLU A 32 -8.848 -7.917 -6.752 1.00 0.00 O ATOM 429 CB GLU A 32 -8.709 -7.682 -3.647 1.00 0.00 C ATOM 430 CG GLU A 32 -8.157 -9.079 -3.419 1.00 0.00 C ATOM 431 CD GLU A 32 -8.861 -9.808 -2.291 1.00 0.00 C ATOM 432 OE1 GLU A 32 -9.399 -9.130 -1.391 1.00 0.00 O ATOM 433 OE2 GLU A 32 -8.873 -11.057 -2.309 1.00 0.00 O ATOM 0 H GLU A 32 -9.466 -5.463 -4.416 1.00 0.00 H new ATOM 0 HA GLU A 32 -6.976 -6.666 -4.412 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -8.643 -7.118 -2.716 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -9.766 -7.755 -3.901 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -8.254 -9.658 -4.337 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -7.092 -9.013 -3.195 1.00 0.00 H new ATOM 440 N GLY A 33 -6.699 -8.334 -6.234 1.00 0.00 N ATOM 441 CA GLY A 33 -6.490 -9.172 -7.400 1.00 0.00 C ATOM 442 C GLY A 33 -6.716 -8.424 -8.699 1.00 0.00 C ATOM 443 O GLY A 33 -6.783 -7.196 -8.713 1.00 0.00 O ATOM 0 H GLY A 33 -5.883 -8.226 -5.632 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -5.474 -9.566 -7.383 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -7.164 -10.027 -7.355 1.00 0.00 H new ATOM 447 N ASN A 34 -6.833 -9.167 -9.795 1.00 0.00 N ATOM 448 CA ASN A 34 -7.051 -8.566 -11.106 1.00 0.00 C ATOM 449 C ASN A 34 -5.869 -7.687 -11.505 1.00 0.00 C ATOM 450 O ASN A 34 -6.037 -6.508 -11.818 1.00 0.00 O ATOM 451 CB ASN A 34 -8.338 -7.739 -11.103 1.00 0.00 C ATOM 452 CG ASN A 34 -9.582 -8.605 -11.069 1.00 0.00 C ATOM 453 OD1 ASN A 34 -10.347 -8.575 -10.104 1.00 0.00 O ATOM 454 ND2 ASN A 34 -9.790 -9.384 -12.124 1.00 0.00 N ATOM 0 H ASN A 34 -6.781 -10.186 -9.801 1.00 0.00 H new ATOM 0 HA ASN A 34 -7.145 -9.370 -11.836 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -8.338 -7.075 -10.239 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -8.363 -7.107 -11.991 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -10.610 -9.990 -12.157 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -9.130 -9.377 -12.901 1.00 0.00 H new ATOM 461 N LEU A 35 -4.676 -8.269 -11.492 1.00 0.00 N ATOM 462 CA LEU A 35 -3.465 -7.540 -11.853 1.00 0.00 C ATOM 463 C LEU A 35 -2.999 -7.918 -13.256 1.00 0.00 C ATOM 464 O LEU A 35 -3.220 -9.032 -13.731 1.00 0.00 O ATOM 465 CB LEU A 35 -2.354 -7.824 -10.841 1.00 0.00 C ATOM 466 CG LEU A 35 -2.338 -6.938 -9.595 1.00 0.00 C ATOM 467 CD1 LEU A 35 -2.123 -5.482 -9.978 1.00 0.00 C ATOM 468 CD2 LEU A 35 -3.632 -7.099 -8.810 1.00 0.00 C ATOM 0 H LEU A 35 -4.521 -9.244 -11.235 1.00 0.00 H new ATOM 0 HA LEU A 35 -3.695 -6.475 -11.841 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -2.437 -8.863 -10.522 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -1.394 -7.722 -11.347 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.509 -7.252 -8.960 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -2.115 -4.867 -9.078 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -1.170 -5.379 -10.497 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -2.930 -5.155 -10.634 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -3.603 -6.461 -7.927 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.476 -6.812 -9.437 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -3.745 -8.139 -8.503 1.00 0.00 H new ATOM 480 N PRO A 36 -2.337 -6.970 -13.935 1.00 0.00 N ATOM 481 CA PRO A 36 -1.824 -7.181 -15.292 1.00 0.00 C ATOM 482 C PRO A 36 -0.654 -8.159 -15.324 1.00 0.00 C ATOM 483 O PRO A 36 -0.060 -8.466 -14.290 1.00 0.00 O ATOM 484 CB PRO A 36 -1.365 -5.785 -15.719 1.00 0.00 C ATOM 485 CG PRO A 36 -1.065 -5.078 -14.443 1.00 0.00 C ATOM 486 CD PRO A 36 -2.038 -5.619 -13.431 1.00 0.00 C ATOM 0 HA PRO A 36 -2.577 -7.617 -15.949 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -0.485 -5.836 -16.359 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -2.141 -5.269 -16.285 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -0.036 -5.257 -14.130 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -1.180 -4.000 -14.558 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -1.603 -5.650 -12.432 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -2.937 -5.005 -13.369 1.00 0.00 H new ATOM 494 N VAL A 37 -0.328 -8.646 -16.517 1.00 0.00 N ATOM 495 CA VAL A 37 0.772 -9.588 -16.684 1.00 0.00 C ATOM 496 C VAL A 37 2.069 -9.025 -16.113 1.00 0.00 C ATOM 497 O VAL A 37 2.545 -9.472 -15.069 1.00 0.00 O ATOM 498 CB VAL A 37 0.988 -9.942 -18.167 1.00 0.00 C ATOM 499 CG1 VAL A 37 2.256 -10.765 -18.341 1.00 0.00 C ATOM 500 CG2 VAL A 37 -0.219 -10.685 -18.718 1.00 0.00 C ATOM 0 H VAL A 37 -0.810 -8.404 -17.382 1.00 0.00 H new ATOM 0 HA VAL A 37 0.500 -10.492 -16.139 1.00 0.00 H new ATOM 0 HB VAL A 37 1.105 -9.016 -18.730 1.00 0.00 H new ATOM 0 HG11 VAL A 37 2.392 -11.006 -19.395 1.00 0.00 H new ATOM 0 HG12 VAL A 37 3.113 -10.192 -17.986 1.00 0.00 H new ATOM 0 HG13 VAL A 37 2.173 -11.687 -17.766 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -0.049 -10.927 -19.767 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -0.369 -11.605 -18.153 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -1.105 -10.056 -18.630 1.00 0.00 H new ATOM 510 N SER A 38 2.636 -8.042 -16.804 1.00 0.00 N ATOM 511 CA SER A 38 3.880 -7.420 -16.368 1.00 0.00 C ATOM 512 C SER A 38 3.609 -6.322 -15.344 1.00 0.00 C ATOM 513 O SER A 38 4.204 -5.246 -15.398 1.00 0.00 O ATOM 514 CB SER A 38 4.633 -6.839 -17.567 1.00 0.00 C ATOM 515 OG SER A 38 5.048 -7.864 -18.454 1.00 0.00 O ATOM 0 H SER A 38 2.253 -7.659 -17.669 1.00 0.00 H new ATOM 0 HA SER A 38 4.495 -8.188 -15.899 1.00 0.00 H new ATOM 0 HB2 SER A 38 3.992 -6.134 -18.096 1.00 0.00 H new ATOM 0 HB3 SER A 38 5.502 -6.281 -17.219 1.00 0.00 H new ATOM 0 HG SER A 38 5.525 -7.467 -19.212 1.00 0.00 H new ATOM 521 N ALA A 39 2.705 -6.603 -14.411 1.00 0.00 N ATOM 522 CA ALA A 39 2.355 -5.641 -13.373 1.00 0.00 C ATOM 523 C ALA A 39 3.598 -5.153 -12.635 1.00 0.00 C ATOM 524 O ALA A 39 4.657 -5.777 -12.701 1.00 0.00 O ATOM 525 CB ALA A 39 1.366 -6.258 -12.394 1.00 0.00 C ATOM 0 H ALA A 39 2.202 -7.488 -14.353 1.00 0.00 H new ATOM 0 HA ALA A 39 1.887 -4.781 -13.852 1.00 0.00 H new ATOM 0 HB1 ALA A 39 1.113 -5.529 -11.624 1.00 0.00 H new ATOM 0 HB2 ALA A 39 0.462 -6.551 -12.927 1.00 0.00 H new ATOM 0 HB3 ALA A 39 1.814 -7.136 -11.929 1.00 0.00 H new ATOM 531 N LYS A 40 3.461 -4.034 -11.933 1.00 0.00 N ATOM 532 CA LYS A 40 4.572 -3.461 -11.181 1.00 0.00 C ATOM 533 C LYS A 40 4.064 -2.625 -10.012 1.00 0.00 C ATOM 534 O LYS A 40 3.001 -2.008 -10.092 1.00 0.00 O ATOM 535 CB LYS A 40 5.444 -2.600 -12.098 1.00 0.00 C ATOM 536 CG LYS A 40 6.907 -2.565 -11.689 1.00 0.00 C ATOM 537 CD LYS A 40 7.572 -3.917 -11.883 1.00 0.00 C ATOM 538 CE LYS A 40 9.067 -3.847 -11.609 1.00 0.00 C ATOM 539 NZ LYS A 40 9.803 -3.182 -12.719 1.00 0.00 N ATOM 0 H LYS A 40 2.591 -3.505 -11.869 1.00 0.00 H new ATOM 0 HA LYS A 40 5.171 -4.281 -10.784 1.00 0.00 H new ATOM 0 HB2 LYS A 40 5.369 -2.979 -13.117 1.00 0.00 H new ATOM 0 HB3 LYS A 40 5.053 -1.582 -12.107 1.00 0.00 H new ATOM 0 HG2 LYS A 40 7.432 -1.812 -12.277 1.00 0.00 H new ATOM 0 HG3 LYS A 40 6.987 -2.266 -10.644 1.00 0.00 H new ATOM 0 HD2 LYS A 40 7.113 -4.648 -11.218 1.00 0.00 H new ATOM 0 HD3 LYS A 40 7.404 -4.264 -12.903 1.00 0.00 H new ATOM 0 HE2 LYS A 40 9.241 -3.303 -10.681 1.00 0.00 H new ATOM 0 HE3 LYS A 40 9.458 -4.854 -11.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 10.825 -3.229 -12.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 9.590 -3.665 -13.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 9.508 -2.187 -12.784 1.00 0.00 H new ATOM 553 N CYS A 41 4.830 -2.607 -8.926 1.00 0.00 N ATOM 554 CA CYS A 41 4.459 -1.845 -7.740 1.00 0.00 C ATOM 555 C CYS A 41 5.018 -0.427 -7.807 1.00 0.00 C ATOM 556 O CYS A 41 6.164 -0.217 -8.205 1.00 0.00 O ATOM 557 CB CYS A 41 4.967 -2.546 -6.478 1.00 0.00 C ATOM 558 SG CYS A 41 4.343 -1.826 -4.926 1.00 0.00 S ATOM 0 H CYS A 41 5.712 -3.112 -8.843 1.00 0.00 H new ATOM 0 HA CYS A 41 3.371 -1.786 -7.702 1.00 0.00 H new ATOM 0 HB2 CYS A 41 4.681 -3.597 -6.519 1.00 0.00 H new ATOM 0 HB3 CYS A 41 6.056 -2.512 -6.470 1.00 0.00 H new ATOM 563 N THR A 42 4.200 0.545 -7.415 1.00 0.00 N ATOM 564 CA THR A 42 4.611 1.943 -7.431 1.00 0.00 C ATOM 565 C THR A 42 5.123 2.382 -6.064 1.00 0.00 C ATOM 566 O THR A 42 5.218 3.575 -5.779 1.00 0.00 O ATOM 567 CB THR A 42 3.451 2.865 -7.852 1.00 0.00 C ATOM 568 OG1 THR A 42 3.955 4.160 -8.199 1.00 0.00 O ATOM 569 CG2 THR A 42 2.431 2.997 -6.731 1.00 0.00 C ATOM 0 H THR A 42 3.248 0.389 -7.082 1.00 0.00 H new ATOM 0 HA THR A 42 5.416 2.027 -8.161 1.00 0.00 H new ATOM 0 HB THR A 42 2.961 2.422 -8.719 1.00 0.00 H new ATOM 0 HG1 THR A 42 4.568 4.471 -7.500 1.00 0.00 H new ATOM 0 HG21 THR A 42 1.621 3.653 -7.051 1.00 0.00 H new ATOM 0 HG22 THR A 42 2.028 2.014 -6.489 1.00 0.00 H new ATOM 0 HG23 THR A 42 2.912 3.419 -5.849 1.00 0.00 H new ATOM 577 N VAL A 43 5.454 1.408 -5.221 1.00 0.00 N ATOM 578 CA VAL A 43 5.959 1.694 -3.884 1.00 0.00 C ATOM 579 C VAL A 43 7.333 1.069 -3.670 1.00 0.00 C ATOM 580 O VAL A 43 8.202 1.658 -3.026 1.00 0.00 O ATOM 581 CB VAL A 43 4.997 1.176 -2.798 1.00 0.00 C ATOM 582 CG1 VAL A 43 5.586 1.396 -1.413 1.00 0.00 C ATOM 583 CG2 VAL A 43 3.640 1.851 -2.923 1.00 0.00 C ATOM 0 H VAL A 43 5.381 0.415 -5.441 1.00 0.00 H new ATOM 0 HA VAL A 43 6.039 2.778 -3.801 1.00 0.00 H new ATOM 0 HB VAL A 43 4.859 0.104 -2.941 1.00 0.00 H new ATOM 0 HG11 VAL A 43 4.892 1.024 -0.659 1.00 0.00 H new ATOM 0 HG12 VAL A 43 6.532 0.861 -1.331 1.00 0.00 H new ATOM 0 HG13 VAL A 43 5.756 2.461 -1.255 1.00 0.00 H new ATOM 0 HG21 VAL A 43 2.973 1.473 -2.148 1.00 0.00 H new ATOM 0 HG22 VAL A 43 3.758 2.928 -2.807 1.00 0.00 H new ATOM 0 HG23 VAL A 43 3.216 1.636 -3.904 1.00 0.00 H new ATOM 593 N CYS A 44 7.524 -0.128 -4.215 1.00 0.00 N ATOM 594 CA CYS A 44 8.793 -0.834 -4.085 1.00 0.00 C ATOM 595 C CYS A 44 9.370 -1.172 -5.457 1.00 0.00 C ATOM 596 O CYS A 44 10.539 -1.539 -5.576 1.00 0.00 O ATOM 597 CB CYS A 44 8.606 -2.114 -3.269 1.00 0.00 C ATOM 598 SG CYS A 44 7.612 -3.391 -4.105 1.00 0.00 S ATOM 0 H CYS A 44 6.816 -0.629 -4.751 1.00 0.00 H new ATOM 0 HA CYS A 44 9.494 -0.179 -3.567 1.00 0.00 H new ATOM 0 HB2 CYS A 44 9.586 -2.528 -3.034 1.00 0.00 H new ATOM 0 HB3 CYS A 44 8.131 -1.862 -2.321 1.00 0.00 H new ATOM 603 N ASP A 45 8.543 -1.044 -6.488 1.00 0.00 N ATOM 604 CA ASP A 45 8.971 -1.334 -7.852 1.00 0.00 C ATOM 605 C ASP A 45 9.286 -2.818 -8.019 1.00 0.00 C ATOM 606 O ASP A 45 10.293 -3.185 -8.624 1.00 0.00 O ATOM 607 CB ASP A 45 10.198 -0.496 -8.213 1.00 0.00 C ATOM 608 CG ASP A 45 10.623 -0.684 -9.656 1.00 0.00 C ATOM 609 OD1 ASP A 45 9.734 -0.779 -10.529 1.00 0.00 O ATOM 610 OD2 ASP A 45 11.844 -0.737 -9.913 1.00 0.00 O ATOM 0 H ASP A 45 7.572 -0.741 -6.406 1.00 0.00 H new ATOM 0 HA ASP A 45 8.154 -1.076 -8.526 1.00 0.00 H new ATOM 0 HB2 ASP A 45 9.980 0.557 -8.036 1.00 0.00 H new ATOM 0 HB3 ASP A 45 11.025 -0.766 -7.556 1.00 0.00 H new ATOM 615 N LYS A 46 8.419 -3.666 -7.477 1.00 0.00 N ATOM 616 CA LYS A 46 8.603 -5.110 -7.565 1.00 0.00 C ATOM 617 C LYS A 46 7.369 -5.780 -8.160 1.00 0.00 C ATOM 618 O LYS A 46 6.304 -5.807 -7.542 1.00 0.00 O ATOM 619 CB LYS A 46 8.895 -5.693 -6.181 1.00 0.00 C ATOM 620 CG LYS A 46 10.131 -5.104 -5.521 1.00 0.00 C ATOM 621 CD LYS A 46 11.392 -5.841 -5.941 1.00 0.00 C ATOM 622 CE LYS A 46 12.627 -5.258 -5.272 1.00 0.00 C ATOM 623 NZ LYS A 46 13.883 -5.838 -5.824 1.00 0.00 N ATOM 0 H LYS A 46 7.581 -3.378 -6.972 1.00 0.00 H new ATOM 0 HA LYS A 46 9.452 -5.304 -8.221 1.00 0.00 H new ATOM 0 HB2 LYS A 46 8.033 -5.524 -5.535 1.00 0.00 H new ATOM 0 HB3 LYS A 46 9.020 -6.772 -6.270 1.00 0.00 H new ATOM 0 HG2 LYS A 46 10.219 -4.050 -5.786 1.00 0.00 H new ATOM 0 HG3 LYS A 46 10.024 -5.152 -4.437 1.00 0.00 H new ATOM 0 HD2 LYS A 46 11.301 -6.896 -5.683 1.00 0.00 H new ATOM 0 HD3 LYS A 46 11.503 -5.786 -7.024 1.00 0.00 H new ATOM 0 HE2 LYS A 46 12.637 -4.176 -5.407 1.00 0.00 H new ATOM 0 HE3 LYS A 46 12.581 -5.445 -4.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 14.702 -5.415 -5.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 13.886 -6.867 -5.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 13.939 -5.638 -6.843 1.00 0.00 H new ATOM 637 N THR A 47 7.519 -6.324 -9.364 1.00 0.00 N ATOM 638 CA THR A 47 6.418 -6.995 -10.042 1.00 0.00 C ATOM 639 C THR A 47 5.510 -7.707 -9.046 1.00 0.00 C ATOM 640 O THR A 47 5.986 -8.363 -8.118 1.00 0.00 O ATOM 641 CB THR A 47 6.932 -8.018 -11.073 1.00 0.00 C ATOM 642 OG1 THR A 47 5.829 -8.707 -11.672 1.00 0.00 O ATOM 643 CG2 THR A 47 7.867 -9.023 -10.417 1.00 0.00 C ATOM 0 H THR A 47 8.393 -6.313 -9.889 1.00 0.00 H new ATOM 0 HA THR A 47 5.849 -6.223 -10.560 1.00 0.00 H new ATOM 0 HB THR A 47 7.484 -7.479 -11.843 1.00 0.00 H new ATOM 0 HG1 THR A 47 6.164 -9.354 -12.327 1.00 0.00 H new ATOM 0 HG21 THR A 47 8.217 -9.735 -11.164 1.00 0.00 H new ATOM 0 HG22 THR A 47 8.720 -8.499 -9.987 1.00 0.00 H new ATOM 0 HG23 THR A 47 7.334 -9.556 -9.630 1.00 0.00 H new ATOM 651 N CYS A 48 4.203 -7.575 -9.243 1.00 0.00 N ATOM 652 CA CYS A 48 3.229 -8.206 -8.361 1.00 0.00 C ATOM 653 C CYS A 48 2.417 -9.258 -9.110 1.00 0.00 C ATOM 654 O CYS A 48 2.610 -10.458 -8.919 1.00 0.00 O ATOM 655 CB CYS A 48 2.294 -7.154 -7.763 1.00 0.00 C ATOM 656 SG CYS A 48 3.145 -5.703 -7.098 1.00 0.00 S ATOM 0 H CYS A 48 3.794 -7.036 -10.006 1.00 0.00 H new ATOM 0 HA CYS A 48 3.773 -8.699 -7.555 1.00 0.00 H new ATOM 0 HB2 CYS A 48 1.591 -6.830 -8.530 1.00 0.00 H new ATOM 0 HB3 CYS A 48 1.708 -7.614 -6.968 1.00 0.00 H new ATOM 0 HG CYS A 48 4.422 -5.813 -7.312 1.00 0.00 H new ATOM 662 N GLY A 49 1.507 -8.798 -9.964 1.00 0.00 N ATOM 663 CA GLY A 49 0.679 -9.712 -10.728 1.00 0.00 C ATOM 664 C GLY A 49 0.339 -10.971 -9.955 1.00 0.00 C ATOM 665 O GLY A 49 1.118 -11.923 -9.933 1.00 0.00 O ATOM 0 H GLY A 49 1.329 -7.809 -10.140 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -0.243 -9.207 -11.017 1.00 0.00 H new ATOM 0 HA3 GLY A 49 1.196 -9.983 -11.648 1.00 0.00 H new ATOM 669 N SER A 50 -0.828 -10.975 -9.318 1.00 0.00 N ATOM 670 CA SER A 50 -1.267 -12.124 -8.535 1.00 0.00 C ATOM 671 C SER A 50 -2.512 -12.756 -9.150 1.00 0.00 C ATOM 672 O SER A 50 -3.637 -12.457 -8.750 1.00 0.00 O ATOM 673 CB SER A 50 -1.554 -11.705 -7.092 1.00 0.00 C ATOM 674 OG SER A 50 -0.385 -11.785 -6.296 1.00 0.00 O ATOM 0 H SER A 50 -1.486 -10.196 -9.329 1.00 0.00 H new ATOM 0 HA SER A 50 -0.466 -12.863 -8.539 1.00 0.00 H new ATOM 0 HB2 SER A 50 -1.940 -10.686 -7.076 1.00 0.00 H new ATOM 0 HB3 SER A 50 -2.329 -12.346 -6.671 1.00 0.00 H new ATOM 0 HG SER A 50 0.185 -11.008 -6.473 1.00 0.00 H new ATOM 680 N VAL A 51 -2.302 -13.634 -10.127 1.00 0.00 N ATOM 681 CA VAL A 51 -3.406 -14.310 -10.798 1.00 0.00 C ATOM 682 C VAL A 51 -4.166 -15.211 -9.832 1.00 0.00 C ATOM 683 O VAL A 51 -5.285 -14.897 -9.422 1.00 0.00 O ATOM 684 CB VAL A 51 -2.908 -15.154 -11.986 1.00 0.00 C ATOM 685 CG1 VAL A 51 -4.069 -15.875 -12.653 1.00 0.00 C ATOM 686 CG2 VAL A 51 -2.166 -14.280 -12.986 1.00 0.00 C ATOM 0 H VAL A 51 -1.377 -13.893 -10.471 1.00 0.00 H new ATOM 0 HA VAL A 51 -4.075 -13.533 -11.169 1.00 0.00 H new ATOM 0 HB VAL A 51 -2.214 -15.905 -11.610 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -3.698 -16.466 -13.490 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -4.552 -16.533 -11.930 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -4.791 -15.144 -13.017 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -1.821 -14.893 -13.819 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -2.835 -13.505 -13.359 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -1.309 -13.816 -12.498 1.00 0.00 H new ATOM 696 N LEU A 52 -3.554 -16.333 -9.471 1.00 0.00 N ATOM 697 CA LEU A 52 -4.173 -17.281 -8.551 1.00 0.00 C ATOM 698 C LEU A 52 -4.276 -16.691 -7.148 1.00 0.00 C ATOM 699 O LEU A 52 -5.106 -17.117 -6.345 1.00 0.00 O ATOM 700 CB LEU A 52 -3.369 -18.582 -8.511 1.00 0.00 C ATOM 701 CG LEU A 52 -1.866 -18.436 -8.272 1.00 0.00 C ATOM 702 CD1 LEU A 52 -1.552 -18.510 -6.785 1.00 0.00 C ATOM 703 CD2 LEU A 52 -1.097 -19.504 -9.035 1.00 0.00 C ATOM 0 H LEU A 52 -2.629 -16.609 -9.801 1.00 0.00 H new ATOM 0 HA LEU A 52 -5.180 -17.493 -8.911 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -3.781 -19.216 -7.726 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -3.517 -19.106 -9.455 1.00 0.00 H new ATOM 0 HG LEU A 52 -1.553 -17.459 -8.641 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -0.478 -18.404 -6.634 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.072 -17.707 -6.263 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -1.881 -19.472 -6.391 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -0.029 -19.384 -8.852 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -1.414 -20.491 -8.698 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -1.296 -19.403 -10.102 1.00 0.00 H new ATOM 715 N ARG A 53 -3.430 -15.708 -6.862 1.00 0.00 N ATOM 716 CA ARG A 53 -3.427 -15.058 -5.557 1.00 0.00 C ATOM 717 C ARG A 53 -4.409 -13.891 -5.528 1.00 0.00 C ATOM 718 O ARG A 53 -4.950 -13.546 -4.476 1.00 0.00 O ATOM 719 CB ARG A 53 -2.021 -14.564 -5.212 1.00 0.00 C ATOM 720 CG ARG A 53 -1.164 -15.604 -4.510 1.00 0.00 C ATOM 721 CD ARG A 53 -1.603 -15.804 -3.067 1.00 0.00 C ATOM 722 NE ARG A 53 -0.786 -16.802 -2.381 1.00 0.00 N ATOM 723 CZ ARG A 53 -0.927 -17.109 -1.096 1.00 0.00 C ATOM 724 NH1 ARG A 53 -1.849 -16.500 -0.363 1.00 0.00 N ATOM 725 NH2 ARG A 53 -0.146 -18.028 -0.543 1.00 0.00 N ATOM 0 H ARG A 53 -2.737 -15.344 -7.516 1.00 0.00 H new ATOM 0 HA ARG A 53 -3.739 -15.792 -4.814 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -1.520 -14.252 -6.128 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -2.101 -13.682 -4.576 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -1.227 -16.551 -5.046 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -0.120 -15.293 -4.534 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -1.540 -14.855 -2.534 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -2.648 -16.113 -3.045 1.00 0.00 H new ATOM 0 HE ARG A 53 -0.068 -17.290 -2.918 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -2.452 -15.794 -0.785 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -1.955 -16.738 0.623 1.00 0.00 H new ATOM 0 HH21 ARG A 53 0.563 -18.499 -1.104 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -0.255 -18.263 0.444 1.00 0.00 H new ATOM 739 N LEU A 54 -4.635 -13.286 -6.689 1.00 0.00 N ATOM 740 CA LEU A 54 -5.552 -12.157 -6.798 1.00 0.00 C ATOM 741 C LEU A 54 -5.570 -11.344 -5.508 1.00 0.00 C ATOM 742 O LEU A 54 -6.617 -10.849 -5.089 1.00 0.00 O ATOM 743 CB LEU A 54 -6.964 -12.650 -7.123 1.00 0.00 C ATOM 744 CG LEU A 54 -7.381 -13.968 -6.471 1.00 0.00 C ATOM 745 CD1 LEU A 54 -8.048 -13.712 -5.128 1.00 0.00 C ATOM 746 CD2 LEU A 54 -8.310 -14.748 -7.390 1.00 0.00 C ATOM 0 H LEU A 54 -4.196 -13.559 -7.568 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.203 -11.514 -7.606 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -7.674 -11.879 -6.824 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -7.049 -12.760 -8.204 1.00 0.00 H new ATOM 0 HG LEU A 54 -6.486 -14.566 -6.301 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -8.338 -14.662 -4.679 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -7.351 -13.196 -4.468 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -8.934 -13.094 -5.274 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -8.596 -15.683 -6.909 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -9.203 -14.156 -7.593 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -7.797 -14.964 -8.327 1.00 0.00 H new ATOM 758 N GLN A 55 -4.405 -11.208 -4.884 1.00 0.00 N ATOM 759 CA GLN A 55 -4.287 -10.453 -3.642 1.00 0.00 C ATOM 760 C GLN A 55 -3.805 -9.032 -3.912 1.00 0.00 C ATOM 761 O GLN A 55 -4.244 -8.083 -3.263 1.00 0.00 O ATOM 762 CB GLN A 55 -3.325 -11.156 -2.682 1.00 0.00 C ATOM 763 CG GLN A 55 -3.837 -12.497 -2.182 1.00 0.00 C ATOM 764 CD GLN A 55 -3.344 -12.827 -0.787 1.00 0.00 C ATOM 765 OE1 GLN A 55 -4.106 -12.781 0.179 1.00 0.00 O ATOM 766 NE2 GLN A 55 -2.064 -13.161 -0.674 1.00 0.00 N ATOM 0 H GLN A 55 -3.529 -11.611 -5.218 1.00 0.00 H new ATOM 0 HA GLN A 55 -5.274 -10.401 -3.183 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -2.369 -11.306 -3.184 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -3.138 -10.506 -1.827 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -4.927 -12.490 -2.186 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -3.521 -13.281 -2.870 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -1.469 -13.186 -1.502 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -1.676 -13.392 0.241 1.00 0.00 H new ATOM 775 N ASP A 56 -2.900 -8.892 -4.875 1.00 0.00 N ATOM 776 CA ASP A 56 -2.359 -7.586 -5.232 1.00 0.00 C ATOM 777 C ASP A 56 -3.479 -6.569 -5.430 1.00 0.00 C ATOM 778 O ASP A 56 -4.523 -6.885 -6.002 1.00 0.00 O ATOM 779 CB ASP A 56 -1.517 -7.690 -6.505 1.00 0.00 C ATOM 780 CG ASP A 56 -0.278 -8.542 -6.311 1.00 0.00 C ATOM 781 OD1 ASP A 56 0.289 -8.521 -5.199 1.00 0.00 O ATOM 782 OD2 ASP A 56 0.124 -9.231 -7.272 1.00 0.00 O ATOM 0 H ASP A 56 -2.526 -9.667 -5.422 1.00 0.00 H new ATOM 0 HA ASP A 56 -1.725 -7.246 -4.413 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -2.124 -8.113 -7.305 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -1.221 -6.691 -6.824 1.00 0.00 H new ATOM 787 N TRP A 57 -3.256 -5.350 -4.953 1.00 0.00 N ATOM 788 CA TRP A 57 -4.247 -4.288 -5.077 1.00 0.00 C ATOM 789 C TRP A 57 -3.830 -3.275 -6.138 1.00 0.00 C ATOM 790 O TRP A 57 -2.683 -2.828 -6.165 1.00 0.00 O ATOM 791 CB TRP A 57 -4.442 -3.585 -3.732 1.00 0.00 C ATOM 792 CG TRP A 57 -4.850 -4.515 -2.630 1.00 0.00 C ATOM 793 CD1 TRP A 57 -4.042 -5.377 -1.943 1.00 0.00 C ATOM 794 CD2 TRP A 57 -6.166 -4.679 -2.089 1.00 0.00 C ATOM 795 NE1 TRP A 57 -4.777 -6.065 -1.008 1.00 0.00 N ATOM 796 CE2 TRP A 57 -6.082 -5.655 -1.077 1.00 0.00 C ATOM 797 CE3 TRP A 57 -7.406 -4.094 -2.360 1.00 0.00 C ATOM 798 CZ2 TRP A 57 -7.191 -6.058 -0.339 1.00 0.00 C ATOM 799 CZ3 TRP A 57 -8.506 -4.496 -1.626 1.00 0.00 C ATOM 800 CH2 TRP A 57 -8.393 -5.469 -0.625 1.00 0.00 C ATOM 0 H TRP A 57 -2.398 -5.073 -4.477 1.00 0.00 H new ATOM 0 HA TRP A 57 -5.190 -4.740 -5.384 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -3.514 -3.087 -3.452 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -5.199 -2.809 -3.842 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -2.982 -5.499 -2.110 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -4.410 -6.768 -0.366 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -7.503 -3.342 -3.129 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -7.106 -6.809 0.432 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -9.470 -4.052 -1.828 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -9.271 -5.760 -0.068 1.00 0.00 H new ATOM 811 N ARG A 58 -4.767 -2.918 -7.009 1.00 0.00 N ATOM 812 CA ARG A 58 -4.495 -1.958 -8.073 1.00 0.00 C ATOM 813 C ARG A 58 -5.615 -0.927 -8.174 1.00 0.00 C ATOM 814 O ARG A 58 -6.796 -1.276 -8.192 1.00 0.00 O ATOM 815 CB ARG A 58 -4.330 -2.680 -9.411 1.00 0.00 C ATOM 816 CG ARG A 58 -5.590 -3.390 -9.880 1.00 0.00 C ATOM 817 CD ARG A 58 -5.470 -3.840 -11.327 1.00 0.00 C ATOM 818 NE ARG A 58 -5.158 -2.730 -12.222 1.00 0.00 N ATOM 819 CZ ARG A 58 -5.078 -2.850 -13.543 1.00 0.00 C ATOM 820 NH1 ARG A 58 -5.287 -4.026 -14.118 1.00 0.00 N ATOM 821 NH2 ARG A 58 -4.789 -1.792 -14.290 1.00 0.00 N ATOM 0 H ARG A 58 -5.721 -3.278 -7.000 1.00 0.00 H new ATOM 0 HA ARG A 58 -3.567 -1.439 -7.831 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -4.027 -1.958 -10.169 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -3.524 -3.408 -9.324 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -5.780 -4.254 -9.244 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -6.445 -2.723 -9.775 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -4.692 -4.599 -11.407 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -6.404 -4.306 -11.640 1.00 0.00 H new ATOM 0 HE ARG A 58 -4.992 -1.811 -11.811 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -5.510 -4.841 -13.546 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -5.225 -4.116 -15.132 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -4.628 -0.886 -13.850 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -4.728 -1.885 -15.304 1.00 0.00 H new ATOM 835 N CYS A 59 -5.237 0.346 -8.239 1.00 0.00 N ATOM 836 CA CYS A 59 -6.208 1.428 -8.337 1.00 0.00 C ATOM 837 C CYS A 59 -6.859 1.452 -9.717 1.00 0.00 C ATOM 838 O CYS A 59 -6.211 1.171 -10.726 1.00 0.00 O ATOM 839 CB CYS A 59 -5.534 2.773 -8.056 1.00 0.00 C ATOM 840 SG CYS A 59 -6.640 4.019 -7.319 1.00 0.00 S ATOM 0 H CYS A 59 -4.264 0.653 -8.225 1.00 0.00 H new ATOM 0 HA CYS A 59 -6.984 1.255 -7.591 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -4.689 2.611 -7.386 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -5.131 3.167 -8.989 1.00 0.00 H new ATOM 845 N LEU A 60 -8.144 1.789 -9.753 1.00 0.00 N ATOM 846 CA LEU A 60 -8.884 1.849 -11.009 1.00 0.00 C ATOM 847 C LEU A 60 -8.982 3.285 -11.514 1.00 0.00 C ATOM 848 O LEU A 60 -9.330 3.524 -12.670 1.00 0.00 O ATOM 849 CB LEU A 60 -10.285 1.264 -10.826 1.00 0.00 C ATOM 850 CG LEU A 60 -11.205 1.333 -12.046 1.00 0.00 C ATOM 851 CD1 LEU A 60 -12.079 0.091 -12.126 1.00 0.00 C ATOM 852 CD2 LEU A 60 -12.062 2.589 -11.997 1.00 0.00 C ATOM 0 H LEU A 60 -8.695 2.025 -8.927 1.00 0.00 H new ATOM 0 HA LEU A 60 -8.344 1.259 -11.750 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -10.185 0.220 -10.530 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -10.770 1.785 -10.000 1.00 0.00 H new ATOM 0 HG LEU A 60 -10.586 1.375 -12.942 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -12.727 0.158 -13.000 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -11.448 -0.794 -12.209 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -12.690 0.017 -11.226 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -12.710 2.622 -12.873 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -12.672 2.578 -11.094 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -11.418 3.469 -11.989 1.00 0.00 H new ATOM 864 N TRP A 61 -8.672 4.236 -10.640 1.00 0.00 N ATOM 865 CA TRP A 61 -8.723 5.649 -10.999 1.00 0.00 C ATOM 866 C TRP A 61 -7.381 6.121 -11.547 1.00 0.00 C ATOM 867 O TRP A 61 -7.285 6.554 -12.696 1.00 0.00 O ATOM 868 CB TRP A 61 -9.116 6.491 -9.784 1.00 0.00 C ATOM 869 CG TRP A 61 -10.465 6.143 -9.231 1.00 0.00 C ATOM 870 CD1 TRP A 61 -11.358 5.250 -9.751 1.00 0.00 C ATOM 871 CD2 TRP A 61 -11.074 6.683 -8.053 1.00 0.00 C ATOM 872 NE1 TRP A 61 -12.486 5.202 -8.967 1.00 0.00 N ATOM 873 CE2 TRP A 61 -12.336 6.072 -7.919 1.00 0.00 C ATOM 874 CE3 TRP A 61 -10.676 7.622 -7.098 1.00 0.00 C ATOM 875 CZ2 TRP A 61 -13.200 6.371 -6.869 1.00 0.00 C ATOM 876 CZ3 TRP A 61 -11.534 7.919 -6.057 1.00 0.00 C ATOM 877 CH2 TRP A 61 -12.784 7.294 -5.949 1.00 0.00 C ATOM 0 H TRP A 61 -8.383 4.055 -9.679 1.00 0.00 H new ATOM 0 HA TRP A 61 -9.476 5.773 -11.778 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -8.367 6.361 -9.003 1.00 0.00 H new ATOM 0 HB3 TRP A 61 -9.106 7.545 -10.063 1.00 0.00 H new ATOM 0 HD1 TRP A 61 -11.201 4.667 -10.647 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -13.302 4.614 -9.138 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -9.714 8.107 -7.172 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -14.164 5.891 -6.784 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -11.237 8.645 -5.314 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -13.432 7.546 -5.123 1.00 0.00 H new ATOM 888 N CYS A 62 -6.345 6.034 -10.719 1.00 0.00 N ATOM 889 CA CYS A 62 -5.007 6.452 -11.121 1.00 0.00 C ATOM 890 C CYS A 62 -4.272 5.317 -11.828 1.00 0.00 C ATOM 891 O CYS A 62 -3.244 5.533 -12.470 1.00 0.00 O ATOM 892 CB CYS A 62 -4.206 6.911 -9.901 1.00 0.00 C ATOM 893 SG CYS A 62 -3.937 5.609 -8.655 1.00 0.00 S ATOM 0 H CYS A 62 -6.406 5.678 -9.765 1.00 0.00 H new ATOM 0 HA CYS A 62 -5.107 7.285 -11.817 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -3.238 7.285 -10.235 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -4.726 7.746 -9.432 1.00 0.00 H new ATOM 898 N LYS A 63 -4.807 4.107 -11.706 1.00 0.00 N ATOM 899 CA LYS A 63 -4.204 2.937 -12.335 1.00 0.00 C ATOM 900 C LYS A 63 -2.818 2.664 -11.760 1.00 0.00 C ATOM 901 O LYS A 63 -1.836 2.577 -12.496 1.00 0.00 O ATOM 902 CB LYS A 63 -4.109 3.138 -13.849 1.00 0.00 C ATOM 903 CG LYS A 63 -5.459 3.288 -14.528 1.00 0.00 C ATOM 904 CD LYS A 63 -6.166 1.949 -14.665 1.00 0.00 C ATOM 905 CE LYS A 63 -7.215 1.983 -15.765 1.00 0.00 C ATOM 906 NZ LYS A 63 -8.381 2.833 -15.396 1.00 0.00 N ATOM 0 H LYS A 63 -5.657 3.911 -11.177 1.00 0.00 H new ATOM 0 HA LYS A 63 -4.840 2.076 -12.128 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -3.509 4.025 -14.052 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -3.583 2.290 -14.287 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -6.083 3.973 -13.953 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -5.324 3.732 -15.514 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.435 1.171 -14.882 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -6.638 1.687 -13.718 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -6.766 2.362 -16.683 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -7.556 0.969 -15.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -9.251 2.419 -15.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -8.459 2.885 -14.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -8.249 3.790 -15.781 1.00 0.00 H new ATOM 920 N ALA A 64 -2.746 2.529 -10.439 1.00 0.00 N ATOM 921 CA ALA A 64 -1.481 2.262 -9.767 1.00 0.00 C ATOM 922 C ALA A 64 -1.555 0.977 -8.948 1.00 0.00 C ATOM 923 O ALA A 64 -2.393 0.846 -8.057 1.00 0.00 O ATOM 924 CB ALA A 64 -1.099 3.436 -8.877 1.00 0.00 C ATOM 0 H ALA A 64 -3.549 2.600 -9.814 1.00 0.00 H new ATOM 0 HA ALA A 64 -0.713 2.132 -10.529 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -0.152 3.223 -8.381 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -0.996 4.335 -9.485 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.875 3.592 -8.127 1.00 0.00 H new ATOM 930 N MET A 65 -0.673 0.033 -9.258 1.00 0.00 N ATOM 931 CA MET A 65 -0.638 -1.242 -8.550 1.00 0.00 C ATOM 932 C MET A 65 0.349 -1.192 -7.388 1.00 0.00 C ATOM 933 O MET A 65 1.462 -0.685 -7.527 1.00 0.00 O ATOM 934 CB MET A 65 -0.259 -2.372 -9.508 1.00 0.00 C ATOM 935 CG MET A 65 -1.111 -2.414 -10.766 1.00 0.00 C ATOM 936 SD MET A 65 -0.227 -3.096 -12.182 1.00 0.00 S ATOM 937 CE MET A 65 0.779 -1.693 -12.660 1.00 0.00 C ATOM 0 H MET A 65 0.027 0.126 -9.994 1.00 0.00 H new ATOM 0 HA MET A 65 -1.634 -1.434 -8.150 1.00 0.00 H new ATOM 0 HB2 MET A 65 0.788 -2.261 -9.792 1.00 0.00 H new ATOM 0 HB3 MET A 65 -0.349 -3.325 -8.986 1.00 0.00 H new ATOM 0 HG2 MET A 65 -2.002 -3.012 -10.577 1.00 0.00 H new ATOM 0 HG3 MET A 65 -1.449 -1.406 -11.005 1.00 0.00 H new ATOM 0 HE1 MET A 65 1.682 -2.046 -13.159 1.00 0.00 H new ATOM 0 HE2 MET A 65 0.214 -1.055 -13.340 1.00 0.00 H new ATOM 0 HE3 MET A 65 1.054 -1.123 -11.772 1.00 0.00 H new ATOM 947 N VAL A 66 -0.067 -1.720 -6.241 1.00 0.00 N ATOM 948 CA VAL A 66 0.781 -1.736 -5.055 1.00 0.00 C ATOM 949 C VAL A 66 0.564 -3.007 -4.241 1.00 0.00 C ATOM 950 O VAL A 66 -0.486 -3.643 -4.331 1.00 0.00 O ATOM 951 CB VAL A 66 0.514 -0.513 -4.157 1.00 0.00 C ATOM 952 CG1 VAL A 66 0.846 0.774 -4.896 1.00 0.00 C ATOM 953 CG2 VAL A 66 -0.931 -0.507 -3.682 1.00 0.00 C ATOM 0 H VAL A 66 -0.986 -2.142 -6.108 1.00 0.00 H new ATOM 0 HA VAL A 66 1.813 -1.703 -5.404 1.00 0.00 H new ATOM 0 HB VAL A 66 1.160 -0.578 -3.282 1.00 0.00 H new ATOM 0 HG11 VAL A 66 0.651 1.627 -4.246 1.00 0.00 H new ATOM 0 HG12 VAL A 66 1.898 0.768 -5.182 1.00 0.00 H new ATOM 0 HG13 VAL A 66 0.227 0.850 -5.790 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -1.102 0.364 -3.049 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -1.597 -0.466 -4.544 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -1.131 -1.415 -3.112 1.00 0.00 H new ATOM 963 N HIS A 67 1.565 -3.372 -3.446 1.00 0.00 N ATOM 964 CA HIS A 67 1.484 -4.567 -2.614 1.00 0.00 C ATOM 965 C HIS A 67 0.560 -4.338 -1.422 1.00 0.00 C ATOM 966 O HIS A 67 0.532 -3.251 -0.844 1.00 0.00 O ATOM 967 CB HIS A 67 2.875 -4.970 -2.126 1.00 0.00 C ATOM 968 CG HIS A 67 3.677 -5.715 -3.149 1.00 0.00 C ATOM 969 ND1 HIS A 67 4.740 -5.155 -3.825 1.00 0.00 N ATOM 970 CD2 HIS A 67 3.567 -6.983 -3.608 1.00 0.00 C ATOM 971 CE1 HIS A 67 5.248 -6.046 -4.658 1.00 0.00 C ATOM 972 NE2 HIS A 67 4.554 -7.164 -4.545 1.00 0.00 N ATOM 0 H HIS A 67 2.441 -2.857 -3.361 1.00 0.00 H new ATOM 0 HA HIS A 67 1.072 -5.374 -3.220 1.00 0.00 H new ATOM 0 HB2 HIS A 67 3.421 -4.074 -1.831 1.00 0.00 H new ATOM 0 HB3 HIS A 67 2.773 -5.589 -1.235 1.00 0.00 H new ATOM 0 HD2 HIS A 67 2.838 -7.716 -3.295 1.00 0.00 H new ATOM 0 HE1 HIS A 67 6.088 -5.887 -5.319 1.00 0.00 H new ATOM 0 HE2 HIS A 67 4.724 -8.023 -5.069 1.00 0.00 H new ATOM 980 N THR A 68 -0.197 -5.369 -1.059 1.00 0.00 N ATOM 981 CA THR A 68 -1.124 -5.279 0.063 1.00 0.00 C ATOM 982 C THR A 68 -0.522 -4.475 1.209 1.00 0.00 C ATOM 983 O THR A 68 -1.203 -3.660 1.832 1.00 0.00 O ATOM 984 CB THR A 68 -1.515 -6.676 0.580 1.00 0.00 C ATOM 985 OG1 THR A 68 -1.803 -7.544 -0.521 1.00 0.00 O ATOM 986 CG2 THR A 68 -2.727 -6.593 1.497 1.00 0.00 C ATOM 0 H THR A 68 -0.186 -6.276 -1.526 1.00 0.00 H new ATOM 0 HA THR A 68 -2.017 -4.772 -0.303 1.00 0.00 H new ATOM 0 HB THR A 68 -0.675 -7.077 1.147 1.00 0.00 H new ATOM 0 HG1 THR A 68 -2.486 -7.133 -1.091 1.00 0.00 H new ATOM 0 HG21 THR A 68 -2.985 -7.591 1.850 1.00 0.00 H new ATOM 0 HG22 THR A 68 -2.495 -5.955 2.350 1.00 0.00 H new ATOM 0 HG23 THR A 68 -3.570 -6.173 0.949 1.00 0.00 H new ATOM 994 N SER A 69 0.757 -4.709 1.483 1.00 0.00 N ATOM 995 CA SER A 69 1.449 -4.008 2.558 1.00 0.00 C ATOM 996 C SER A 69 1.906 -2.626 2.100 1.00 0.00 C ATOM 997 O SER A 69 1.601 -1.616 2.735 1.00 0.00 O ATOM 998 CB SER A 69 2.653 -4.823 3.035 1.00 0.00 C ATOM 999 OG SER A 69 2.258 -5.822 3.960 1.00 0.00 O ATOM 0 H SER A 69 1.335 -5.379 0.975 1.00 0.00 H new ATOM 0 HA SER A 69 0.751 -3.885 3.386 1.00 0.00 H new ATOM 0 HB2 SER A 69 3.143 -5.288 2.180 1.00 0.00 H new ATOM 0 HB3 SER A 69 3.383 -4.161 3.500 1.00 0.00 H new ATOM 0 HG SER A 69 3.045 -6.330 4.249 1.00 0.00 H new ATOM 1005 N CYS A 70 2.639 -2.590 0.992 1.00 0.00 N ATOM 1006 CA CYS A 70 3.139 -1.334 0.446 1.00 0.00 C ATOM 1007 C CYS A 70 2.050 -0.265 0.455 1.00 0.00 C ATOM 1008 O CYS A 70 2.330 0.921 0.634 1.00 0.00 O ATOM 1009 CB CYS A 70 3.654 -1.542 -0.979 1.00 0.00 C ATOM 1010 SG CYS A 70 5.298 -2.320 -1.071 1.00 0.00 S ATOM 0 H CYS A 70 2.900 -3.417 0.455 1.00 0.00 H new ATOM 0 HA CYS A 70 3.961 -0.995 1.076 1.00 0.00 H new ATOM 0 HB2 CYS A 70 2.941 -2.160 -1.525 1.00 0.00 H new ATOM 0 HB3 CYS A 70 3.692 -0.577 -1.484 1.00 0.00 H new ATOM 1015 N LYS A 71 0.808 -0.692 0.261 1.00 0.00 N ATOM 1016 CA LYS A 71 -0.325 0.226 0.248 1.00 0.00 C ATOM 1017 C LYS A 71 -0.224 1.230 1.391 1.00 0.00 C ATOM 1018 O LYS A 71 -0.053 2.427 1.164 1.00 0.00 O ATOM 1019 CB LYS A 71 -1.639 -0.551 0.352 1.00 0.00 C ATOM 1020 CG LYS A 71 -2.861 0.266 -0.031 1.00 0.00 C ATOM 1021 CD LYS A 71 -3.946 -0.605 -0.642 1.00 0.00 C ATOM 1022 CE LYS A 71 -4.983 -1.012 0.393 1.00 0.00 C ATOM 1023 NZ LYS A 71 -5.605 0.172 1.050 1.00 0.00 N ATOM 0 H LYS A 71 0.559 -1.670 0.110 1.00 0.00 H new ATOM 0 HA LYS A 71 -0.307 0.772 -0.695 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -1.584 -1.430 -0.291 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -1.759 -0.911 1.374 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -3.253 0.771 0.852 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -2.573 1.042 -0.741 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -4.433 -0.065 -1.454 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -3.496 -1.497 -1.078 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -5.758 -1.611 -0.085 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -4.514 -1.642 1.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -6.534 -0.093 1.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -4.991 0.503 1.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -5.724 0.934 0.352 1.00 0.00 H new ATOM 1037 N GLU A 72 -0.330 0.734 2.620 1.00 0.00 N ATOM 1038 CA GLU A 72 -0.250 1.589 3.798 1.00 0.00 C ATOM 1039 C GLU A 72 0.923 2.559 3.688 1.00 0.00 C ATOM 1040 O GLU A 72 0.902 3.643 4.270 1.00 0.00 O ATOM 1041 CB GLU A 72 -0.107 0.741 5.063 1.00 0.00 C ATOM 1042 CG GLU A 72 1.274 0.130 5.234 1.00 0.00 C ATOM 1043 CD GLU A 72 1.659 -0.044 6.690 1.00 0.00 C ATOM 1044 OE1 GLU A 72 1.172 -1.005 7.322 1.00 0.00 O ATOM 1045 OE2 GLU A 72 2.447 0.781 7.197 1.00 0.00 O ATOM 0 H GLU A 72 -0.471 -0.255 2.825 1.00 0.00 H new ATOM 0 HA GLU A 72 -1.172 2.166 3.859 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -0.331 1.359 5.932 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -0.848 -0.058 5.040 1.00 0.00 H new ATOM 0 HG2 GLU A 72 1.302 -0.839 4.736 1.00 0.00 H new ATOM 0 HG3 GLU A 72 2.011 0.763 4.740 1.00 0.00 H new ATOM 1052 N SER A 73 1.944 2.160 2.937 1.00 0.00 N ATOM 1053 CA SER A 73 3.129 2.991 2.753 1.00 0.00 C ATOM 1054 C SER A 73 2.805 4.219 1.908 1.00 0.00 C ATOM 1055 O SER A 73 3.203 5.337 2.238 1.00 0.00 O ATOM 1056 CB SER A 73 4.247 2.183 2.092 1.00 0.00 C ATOM 1057 OG SER A 73 5.520 2.709 2.423 1.00 0.00 O ATOM 0 H SER A 73 1.975 1.267 2.446 1.00 0.00 H new ATOM 0 HA SER A 73 3.464 3.325 3.735 1.00 0.00 H new ATOM 0 HB2 SER A 73 4.186 1.143 2.411 1.00 0.00 H new ATOM 0 HB3 SER A 73 4.116 2.193 1.010 1.00 0.00 H new ATOM 0 HG SER A 73 6.218 2.174 1.990 1.00 0.00 H new ATOM 1063 N LEU A 74 2.080 4.003 0.816 1.00 0.00 N ATOM 1064 CA LEU A 74 1.701 5.091 -0.079 1.00 0.00 C ATOM 1065 C LEU A 74 0.977 6.196 0.684 1.00 0.00 C ATOM 1066 O LEU A 74 -0.145 6.008 1.156 1.00 0.00 O ATOM 1067 CB LEU A 74 0.809 4.565 -1.205 1.00 0.00 C ATOM 1068 CG LEU A 74 0.717 5.443 -2.453 1.00 0.00 C ATOM 1069 CD1 LEU A 74 2.034 5.430 -3.214 1.00 0.00 C ATOM 1070 CD2 LEU A 74 -0.422 4.978 -3.349 1.00 0.00 C ATOM 0 H LEU A 74 1.743 3.084 0.529 1.00 0.00 H new ATOM 0 HA LEU A 74 2.611 5.508 -0.510 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.175 3.582 -1.503 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -0.197 4.424 -0.809 1.00 0.00 H new ATOM 0 HG LEU A 74 0.512 6.467 -2.139 1.00 0.00 H new ATOM 0 HD11 LEU A 74 1.949 6.061 -4.099 1.00 0.00 H new ATOM 0 HD12 LEU A 74 2.829 5.810 -2.572 1.00 0.00 H new ATOM 0 HD13 LEU A 74 2.269 4.410 -3.517 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -0.473 5.614 -4.233 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -0.247 3.946 -3.654 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -1.363 5.040 -2.803 1.00 0.00 H new ATOM 1082 N LEU A 75 1.626 7.350 0.800 1.00 0.00 N ATOM 1083 CA LEU A 75 1.043 8.487 1.504 1.00 0.00 C ATOM 1084 C LEU A 75 0.605 9.569 0.521 1.00 0.00 C ATOM 1085 O LEU A 75 0.592 10.755 0.852 1.00 0.00 O ATOM 1086 CB LEU A 75 2.049 9.065 2.501 1.00 0.00 C ATOM 1087 CG LEU A 75 3.409 9.464 1.927 1.00 0.00 C ATOM 1088 CD1 LEU A 75 3.979 10.654 2.683 1.00 0.00 C ATOM 1089 CD2 LEU A 75 4.374 8.288 1.975 1.00 0.00 C ATOM 0 H LEU A 75 2.555 7.523 0.416 1.00 0.00 H new ATOM 0 HA LEU A 75 0.165 8.136 2.046 1.00 0.00 H new ATOM 0 HB2 LEU A 75 1.603 9.943 2.969 1.00 0.00 H new ATOM 0 HB3 LEU A 75 2.211 8.331 3.290 1.00 0.00 H new ATOM 0 HG LEU A 75 3.271 9.753 0.885 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.947 10.924 2.261 1.00 0.00 H new ATOM 0 HD12 LEU A 75 3.297 11.500 2.597 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.102 10.392 3.734 1.00 0.00 H new ATOM 0 HD21 LEU A 75 5.337 8.590 1.563 1.00 0.00 H new ATOM 0 HD22 LEU A 75 4.506 7.968 3.009 1.00 0.00 H new ATOM 0 HD23 LEU A 75 3.971 7.462 1.388 1.00 0.00 H new ATOM 1101 N THR A 76 0.246 9.152 -0.689 1.00 0.00 N ATOM 1102 CA THR A 76 -0.194 10.084 -1.719 1.00 0.00 C ATOM 1103 C THR A 76 -1.702 10.006 -1.924 1.00 0.00 C ATOM 1104 O THR A 76 -2.356 9.074 -1.455 1.00 0.00 O ATOM 1105 CB THR A 76 0.510 9.811 -3.062 1.00 0.00 C ATOM 1106 OG1 THR A 76 0.291 8.453 -3.462 1.00 0.00 O ATOM 1107 CG2 THR A 76 2.004 10.078 -2.954 1.00 0.00 C ATOM 0 H THR A 76 0.251 8.174 -0.980 1.00 0.00 H new ATOM 0 HA THR A 76 0.072 11.083 -1.374 1.00 0.00 H new ATOM 0 HB THR A 76 0.090 10.483 -3.811 1.00 0.00 H new ATOM 0 HG1 THR A 76 0.740 8.287 -4.317 1.00 0.00 H new ATOM 0 HG21 THR A 76 2.480 9.878 -3.914 1.00 0.00 H new ATOM 0 HG22 THR A 76 2.168 11.119 -2.677 1.00 0.00 H new ATOM 0 HG23 THR A 76 2.436 9.428 -2.193 1.00 0.00 H new ATOM 1115 N LYS A 77 -2.251 10.990 -2.629 1.00 0.00 N ATOM 1116 CA LYS A 77 -3.683 11.032 -2.898 1.00 0.00 C ATOM 1117 C LYS A 77 -3.976 10.647 -4.345 1.00 0.00 C ATOM 1118 O LYS A 77 -3.067 10.559 -5.171 1.00 0.00 O ATOM 1119 CB LYS A 77 -4.236 12.430 -2.609 1.00 0.00 C ATOM 1120 CG LYS A 77 -4.465 12.700 -1.132 1.00 0.00 C ATOM 1121 CD LYS A 77 -5.506 13.786 -0.919 1.00 0.00 C ATOM 1122 CE LYS A 77 -4.955 15.161 -1.263 1.00 0.00 C ATOM 1123 NZ LYS A 77 -5.839 16.253 -0.768 1.00 0.00 N ATOM 0 H LYS A 77 -1.725 11.769 -3.024 1.00 0.00 H new ATOM 0 HA LYS A 77 -4.172 10.312 -2.242 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -3.544 13.174 -3.003 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -5.178 12.557 -3.143 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -4.788 11.783 -0.639 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -3.526 12.998 -0.666 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -6.381 13.579 -1.535 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -5.838 13.775 0.119 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -3.962 15.273 -0.829 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -4.842 15.247 -2.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -5.429 17.174 -1.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -6.780 16.161 -1.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -5.927 16.187 0.266 1.00 0.00 H new ATOM 1137 N CYS A 78 -5.250 10.421 -4.646 1.00 0.00 N ATOM 1138 CA CYS A 78 -5.664 10.046 -5.993 1.00 0.00 C ATOM 1139 C CYS A 78 -6.218 11.252 -6.746 1.00 0.00 C ATOM 1140 O CYS A 78 -6.549 12.274 -6.146 1.00 0.00 O ATOM 1141 CB CYS A 78 -6.717 8.938 -5.936 1.00 0.00 C ATOM 1142 SG CYS A 78 -6.892 7.998 -7.487 1.00 0.00 S ATOM 0 H CYS A 78 -6.015 10.491 -3.975 1.00 0.00 H new ATOM 0 HA CYS A 78 -4.788 9.677 -6.527 1.00 0.00 H new ATOM 0 HB2 CYS A 78 -6.460 8.248 -5.132 1.00 0.00 H new ATOM 0 HB3 CYS A 78 -7.680 9.380 -5.681 1.00 0.00 H new ATOM 1147 N SER A 79 -6.317 11.123 -8.066 1.00 0.00 N ATOM 1148 CA SER A 79 -6.828 12.203 -8.902 1.00 0.00 C ATOM 1149 C SER A 79 -8.294 11.968 -9.257 1.00 0.00 C ATOM 1150 O SER A 79 -9.100 12.897 -9.258 1.00 0.00 O ATOM 1151 CB SER A 79 -5.996 12.324 -10.180 1.00 0.00 C ATOM 1152 OG SER A 79 -6.619 13.188 -11.114 1.00 0.00 O ATOM 0 H SER A 79 -6.050 10.282 -8.578 1.00 0.00 H new ATOM 0 HA SER A 79 -6.753 13.133 -8.338 1.00 0.00 H new ATOM 0 HB2 SER A 79 -5.003 12.702 -9.937 1.00 0.00 H new ATOM 0 HB3 SER A 79 -5.862 11.338 -10.625 1.00 0.00 H new ATOM 0 HG SER A 79 -6.067 13.250 -11.921 1.00 0.00 H new ATOM 1158 N GLY A 80 -8.631 10.718 -9.558 1.00 0.00 N ATOM 1159 CA GLY A 80 -9.998 10.382 -9.910 1.00 0.00 C ATOM 1160 C GLY A 80 -10.078 9.476 -11.123 1.00 0.00 C ATOM 1161 O GLY A 80 -9.123 9.340 -11.887 1.00 0.00 O ATOM 0 H GLY A 80 -7.981 9.932 -9.564 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -10.478 9.893 -9.063 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -10.555 11.298 -10.107 1.00 0.00 H new ATOM 1165 N PRO A 81 -11.241 8.835 -11.311 1.00 0.00 N ATOM 1166 CA PRO A 81 -11.470 7.925 -12.437 1.00 0.00 C ATOM 1167 C PRO A 81 -11.547 8.661 -13.771 1.00 0.00 C ATOM 1168 O PRO A 81 -11.700 8.043 -14.824 1.00 0.00 O ATOM 1169 CB PRO A 81 -12.818 7.280 -12.104 1.00 0.00 C ATOM 1170 CG PRO A 81 -13.507 8.271 -11.231 1.00 0.00 C ATOM 1171 CD PRO A 81 -12.423 8.950 -10.440 1.00 0.00 C ATOM 0 HA PRO A 81 -10.657 7.209 -12.554 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -13.395 7.080 -13.007 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -12.685 6.327 -11.592 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -14.066 8.993 -11.826 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -14.222 7.779 -10.571 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -12.669 9.991 -10.233 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -12.262 8.463 -9.478 1.00 0.00 H new ATOM 1179 N SER A 82 -11.440 9.985 -13.718 1.00 0.00 N ATOM 1180 CA SER A 82 -11.501 10.805 -14.922 1.00 0.00 C ATOM 1181 C SER A 82 -11.156 12.258 -14.607 1.00 0.00 C ATOM 1182 O SER A 82 -11.285 12.706 -13.468 1.00 0.00 O ATOM 1183 CB SER A 82 -12.893 10.725 -15.550 1.00 0.00 C ATOM 1184 OG SER A 82 -13.863 11.341 -14.721 1.00 0.00 O ATOM 0 H SER A 82 -11.311 10.512 -12.854 1.00 0.00 H new ATOM 0 HA SER A 82 -10.768 10.420 -15.631 1.00 0.00 H new ATOM 0 HB2 SER A 82 -12.883 11.210 -16.526 1.00 0.00 H new ATOM 0 HB3 SER A 82 -13.161 9.682 -15.715 1.00 0.00 H new ATOM 0 HG SER A 82 -14.744 11.278 -15.146 1.00 0.00 H new ATOM 1190 N SER A 83 -10.715 12.989 -15.626 1.00 0.00 N ATOM 1191 CA SER A 83 -10.348 14.390 -15.459 1.00 0.00 C ATOM 1192 C SER A 83 -11.577 15.289 -15.548 1.00 0.00 C ATOM 1193 O SER A 83 -11.753 16.200 -14.740 1.00 0.00 O ATOM 1194 CB SER A 83 -9.325 14.801 -16.520 1.00 0.00 C ATOM 1195 OG SER A 83 -8.205 13.933 -16.512 1.00 0.00 O ATOM 0 H SER A 83 -10.603 12.634 -16.576 1.00 0.00 H new ATOM 0 HA SER A 83 -9.904 14.508 -14.470 1.00 0.00 H new ATOM 0 HB2 SER A 83 -9.792 14.788 -17.505 1.00 0.00 H new ATOM 0 HB3 SER A 83 -8.997 15.824 -16.337 1.00 0.00 H new ATOM 0 HG SER A 83 -7.567 14.216 -17.200 1.00 0.00 H new ATOM 1201 N GLY A 84 -12.427 15.024 -16.536 1.00 0.00 N ATOM 1202 CA GLY A 84 -13.629 15.817 -16.713 1.00 0.00 C ATOM 1203 C GLY A 84 -13.403 17.287 -16.418 1.00 0.00 C ATOM 1204 O GLY A 84 -13.040 18.031 -17.328 1.00 0.00 O ATOM 0 H GLY A 84 -12.304 14.274 -17.217 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -13.986 15.706 -17.737 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -14.412 15.435 -16.059 1.00 0.00 H new TER 1208 GLY A 84 HETATM 1209 ZN ZN A 201 -5.613 6.096 -7.089 1.00 0.00 ZN HETATM 1210 ZN ZN A 401 5.472 -3.017 -3.279 1.00 0.00 ZN