USER MOD reduce.3.24.130724 H: found=0, std=0, add=586, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 584 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 146:sc= 0.82 (180deg=0.17) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 97:sc= 0.00248 USER MOD Single : A 16 GLN :FLIP amide:sc= -0.863 F(o=-1.5,f=-0.86) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= -0.364 USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.997 USER MOD Single : A 25 MET CE :methyl -172:sc= -2.03 (180deg=-2.7) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ -164:sc= -0.0225 (180deg=-0.231) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -2.83! C(o=-2.8!,f=-9.5!) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -0.183 K(o=-0.18,f=-2!) USER MOD Single : A 39 LYS NZ :NH3+ 145:sc= -0.454 (180deg=-1.97!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -0.269 K(o=-0.27,f=-2) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.101 USER MOD Single : A 55 TYR OH : rot 180:sc= -0.548 USER MOD Single : A 58 GLN :FLIP amide:sc= -0.292 F(o=-1.5,f=-0.29) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ -150:sc= -0.282 (180deg=-1.31!) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.167 -8.018 -6.137 1.00 0.00 N ATOM 2 CA MET A 1 4.737 -6.975 -6.982 1.00 0.00 C ATOM 3 C MET A 1 3.639 -6.191 -7.693 1.00 0.00 C ATOM 4 O MET A 1 3.555 -6.196 -8.921 1.00 0.00 O ATOM 5 CB MET A 1 5.691 -7.587 -8.010 1.00 0.00 C ATOM 6 CG MET A 1 6.957 -8.162 -7.398 1.00 0.00 C ATOM 7 SD MET A 1 6.756 -9.873 -6.865 1.00 0.00 S ATOM 8 CE MET A 1 8.390 -10.221 -6.219 1.00 0.00 C ATOM 0 H1 MET A 1 4.800 -8.843 -6.130 1.00 0.00 H new ATOM 0 H2 MET A 1 4.057 -7.658 -5.168 1.00 0.00 H new ATOM 0 H3 MET A 1 3.237 -8.298 -6.510 1.00 0.00 H new ATOM 0 HA MET A 1 5.294 -6.289 -6.344 1.00 0.00 H new ATOM 0 HB2 MET A 1 5.170 -8.375 -8.553 1.00 0.00 H new ATOM 0 HB3 MET A 1 5.964 -6.824 -8.739 1.00 0.00 H new ATOM 0 HG2 MET A 1 7.766 -8.105 -8.126 1.00 0.00 H new ATOM 0 HG3 MET A 1 7.253 -7.552 -6.544 1.00 0.00 H new ATOM 0 HE1 MET A 1 8.425 -11.246 -5.850 1.00 0.00 H new ATOM 0 HE2 MET A 1 9.129 -10.095 -7.011 1.00 0.00 H new ATOM 0 HE3 MET A 1 8.612 -9.534 -5.403 1.00 0.00 H new ATOM 18 N ASP A 2 2.799 -5.519 -6.913 1.00 0.00 N ATOM 19 CA ASP A 2 1.707 -4.729 -7.469 1.00 0.00 C ATOM 20 C ASP A 2 1.997 -3.236 -7.344 1.00 0.00 C ATOM 21 O ASP A 2 1.106 -2.445 -7.037 1.00 0.00 O ATOM 22 CB ASP A 2 0.394 -5.067 -6.761 1.00 0.00 C ATOM 23 CG ASP A 2 0.026 -6.532 -6.891 1.00 0.00 C ATOM 24 OD1 ASP A 2 0.651 -7.364 -6.201 1.00 0.00 O ATOM 25 OD2 ASP A 2 -0.888 -6.845 -7.682 1.00 0.00 O ATOM 0 H ASP A 2 2.854 -5.506 -5.895 1.00 0.00 H new ATOM 0 HA ASP A 2 1.615 -4.975 -8.527 1.00 0.00 H new ATOM 0 HB2 ASP A 2 0.477 -4.809 -5.705 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -0.407 -4.456 -7.177 1.00 0.00 H new ATOM 30 N GLU A 3 3.249 -2.860 -7.584 1.00 0.00 N ATOM 31 CA GLU A 3 3.656 -1.462 -7.497 1.00 0.00 C ATOM 32 C GLU A 3 3.864 -0.868 -8.887 1.00 0.00 C ATOM 33 O GLU A 3 4.733 -0.019 -9.088 1.00 0.00 O ATOM 34 CB GLU A 3 4.941 -1.333 -6.676 1.00 0.00 C ATOM 35 CG GLU A 3 6.073 -2.215 -7.175 1.00 0.00 C ATOM 36 CD GLU A 3 7.389 -1.923 -6.481 1.00 0.00 C ATOM 37 OE1 GLU A 3 7.452 -2.073 -5.243 1.00 0.00 O ATOM 38 OE2 GLU A 3 8.356 -1.545 -7.175 1.00 0.00 O ATOM 0 H GLU A 3 3.998 -3.503 -7.840 1.00 0.00 H new ATOM 0 HA GLU A 3 2.859 -0.908 -7.001 1.00 0.00 H new ATOM 0 HB2 GLU A 3 5.268 -0.293 -6.690 1.00 0.00 H new ATOM 0 HB3 GLU A 3 4.726 -1.585 -5.638 1.00 0.00 H new ATOM 0 HG2 GLU A 3 5.809 -3.261 -7.020 1.00 0.00 H new ATOM 0 HG3 GLU A 3 6.193 -2.072 -8.249 1.00 0.00 H new ATOM 45 N THR A 4 3.061 -1.322 -9.844 1.00 0.00 N ATOM 46 CA THR A 4 3.158 -0.838 -11.216 1.00 0.00 C ATOM 47 C THR A 4 2.572 0.563 -11.347 1.00 0.00 C ATOM 48 O THR A 4 2.929 1.314 -12.254 1.00 0.00 O ATOM 49 CB THR A 4 2.433 -1.779 -12.196 1.00 0.00 C ATOM 50 OG1 THR A 4 2.663 -1.354 -13.544 1.00 0.00 O ATOM 51 CG2 THR A 4 0.938 -1.806 -11.915 1.00 0.00 C ATOM 0 H THR A 4 2.336 -2.024 -9.695 1.00 0.00 H new ATOM 0 HA THR A 4 4.218 -0.811 -11.467 1.00 0.00 H new ATOM 0 HB THR A 4 2.830 -2.785 -12.060 1.00 0.00 H new ATOM 0 HG1 THR A 4 2.200 -1.958 -14.161 1.00 0.00 H new ATOM 0 HG21 THR A 4 0.447 -2.477 -12.620 1.00 0.00 H new ATOM 0 HG22 THR A 4 0.765 -2.158 -10.898 1.00 0.00 H new ATOM 0 HG23 THR A 4 0.529 -0.802 -12.026 1.00 0.00 H new ATOM 59 N GLY A 5 1.670 0.911 -10.433 1.00 0.00 N ATOM 60 CA GLY A 5 1.050 2.222 -10.465 1.00 0.00 C ATOM 61 C GLY A 5 -0.267 2.222 -11.215 1.00 0.00 C ATOM 62 O GLY A 5 -0.482 3.042 -12.109 1.00 0.00 O ATOM 0 H GLY A 5 1.358 0.308 -9.672 1.00 0.00 H new ATOM 0 HA2 GLY A 5 0.883 2.567 -9.444 1.00 0.00 H new ATOM 0 HA3 GLY A 5 1.732 2.932 -10.934 1.00 0.00 H new ATOM 66 N LYS A 6 -1.153 1.300 -10.853 1.00 0.00 N ATOM 67 CA LYS A 6 -2.457 1.196 -11.498 1.00 0.00 C ATOM 68 C LYS A 6 -3.155 2.551 -11.536 1.00 0.00 C ATOM 69 O LYS A 6 -3.815 2.891 -12.517 1.00 0.00 O ATOM 70 CB LYS A 6 -3.333 0.180 -10.762 1.00 0.00 C ATOM 71 CG LYS A 6 -3.244 0.283 -9.249 1.00 0.00 C ATOM 72 CD LYS A 6 -2.362 -0.808 -8.666 1.00 0.00 C ATOM 73 CE LYS A 6 -3.190 -1.931 -8.061 1.00 0.00 C ATOM 74 NZ LYS A 6 -3.707 -2.862 -9.102 1.00 0.00 N ATOM 0 H LYS A 6 -0.992 0.614 -10.116 1.00 0.00 H new ATOM 0 HA LYS A 6 -2.302 0.858 -12.523 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -4.370 0.319 -11.067 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -3.043 -0.825 -11.067 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -2.846 1.260 -8.973 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -4.243 0.212 -8.819 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -1.716 -1.211 -9.446 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -1.712 -0.382 -7.902 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -2.582 -2.486 -7.347 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -4.026 -1.507 -7.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -4.266 -3.613 -8.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -4.308 -2.337 -9.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -2.908 -3.287 -9.615 1.00 0.00 H new ATOM 88 N GLU A 7 -3.003 3.321 -10.463 1.00 0.00 N ATOM 89 CA GLU A 7 -3.619 4.640 -10.376 1.00 0.00 C ATOM 90 C GLU A 7 -3.147 5.380 -9.128 1.00 0.00 C ATOM 91 O GLU A 7 -3.937 5.666 -8.226 1.00 0.00 O ATOM 92 CB GLU A 7 -5.144 4.514 -10.362 1.00 0.00 C ATOM 93 CG GLU A 7 -5.670 3.609 -9.261 1.00 0.00 C ATOM 94 CD GLU A 7 -7.051 3.061 -9.566 1.00 0.00 C ATOM 95 OE1 GLU A 7 -7.902 3.835 -10.052 1.00 0.00 O ATOM 96 OE2 GLU A 7 -7.281 1.859 -9.320 1.00 0.00 O ATOM 0 H GLU A 7 -2.459 3.054 -9.642 1.00 0.00 H new ATOM 0 HA GLU A 7 -3.317 5.213 -11.252 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -5.581 5.506 -10.245 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -5.477 4.130 -11.326 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -4.978 2.779 -9.116 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -5.702 4.164 -8.324 1.00 0.00 H new ATOM 103 N LEU A 8 -1.855 5.685 -9.081 1.00 0.00 N ATOM 104 CA LEU A 8 -1.277 6.391 -7.944 1.00 0.00 C ATOM 105 C LEU A 8 -1.452 7.899 -8.092 1.00 0.00 C ATOM 106 O LEU A 8 -1.284 8.450 -9.180 1.00 0.00 O ATOM 107 CB LEU A 8 0.208 6.050 -7.808 1.00 0.00 C ATOM 108 CG LEU A 8 0.531 4.714 -7.138 1.00 0.00 C ATOM 109 CD1 LEU A 8 1.949 4.277 -7.474 1.00 0.00 C ATOM 110 CD2 LEU A 8 0.346 4.815 -5.631 1.00 0.00 C ATOM 0 H LEU A 8 -1.188 5.454 -9.817 1.00 0.00 H new ATOM 0 HA LEU A 8 -1.802 6.070 -7.044 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.653 6.052 -8.803 1.00 0.00 H new ATOM 0 HB3 LEU A 8 0.692 6.845 -7.241 1.00 0.00 H new ATOM 0 HG LEU A 8 -0.159 3.962 -7.520 1.00 0.00 H new ATOM 0 HD11 LEU A 8 2.161 3.324 -6.988 1.00 0.00 H new ATOM 0 HD12 LEU A 8 2.049 4.164 -8.554 1.00 0.00 H new ATOM 0 HD13 LEU A 8 2.655 5.029 -7.121 1.00 0.00 H new ATOM 0 HD21 LEU A 8 0.580 3.855 -5.171 1.00 0.00 H new ATOM 0 HD22 LEU A 8 1.012 5.581 -5.233 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -0.687 5.082 -5.408 1.00 0.00 H new ATOM 122 N VAL A 9 -1.788 8.562 -6.990 1.00 0.00 N ATOM 123 CA VAL A 9 -1.982 10.007 -6.996 1.00 0.00 C ATOM 124 C VAL A 9 -0.983 10.700 -6.077 1.00 0.00 C ATOM 125 O VAL A 9 -0.691 10.217 -4.982 1.00 0.00 O ATOM 126 CB VAL A 9 -3.411 10.383 -6.560 1.00 0.00 C ATOM 127 CG1 VAL A 9 -4.417 9.995 -7.633 1.00 0.00 C ATOM 128 CG2 VAL A 9 -3.753 9.724 -5.233 1.00 0.00 C ATOM 0 H VAL A 9 -1.932 8.121 -6.081 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.822 10.343 -8.020 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.459 11.464 -6.426 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -5.420 10.268 -7.307 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -4.181 10.519 -8.559 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.371 8.919 -7.803 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -4.766 10.000 -4.940 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -3.688 8.641 -5.337 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -3.051 10.058 -4.469 1.00 0.00 H new ATOM 138 N LEU A 10 -0.461 11.836 -6.528 1.00 0.00 N ATOM 139 CA LEU A 10 0.506 12.597 -5.746 1.00 0.00 C ATOM 140 C LEU A 10 -0.142 13.835 -5.134 1.00 0.00 C ATOM 141 O LEU A 10 -0.940 14.513 -5.779 1.00 0.00 O ATOM 142 CB LEU A 10 1.690 13.009 -6.623 1.00 0.00 C ATOM 143 CG LEU A 10 2.743 13.895 -5.957 1.00 0.00 C ATOM 144 CD1 LEU A 10 3.798 13.044 -5.267 1.00 0.00 C ATOM 145 CD2 LEU A 10 3.387 14.820 -6.980 1.00 0.00 C ATOM 0 H LEU A 10 -0.692 12.250 -7.431 1.00 0.00 H new ATOM 0 HA LEU A 10 0.864 11.959 -4.938 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.181 12.105 -6.984 1.00 0.00 H new ATOM 0 HB3 LEU A 10 1.304 13.533 -7.497 1.00 0.00 H new ATOM 0 HG LEU A 10 2.249 14.508 -5.203 1.00 0.00 H new ATOM 0 HD11 LEU A 10 4.539 13.692 -4.799 1.00 0.00 H new ATOM 0 HD12 LEU A 10 3.325 12.424 -4.505 1.00 0.00 H new ATOM 0 HD13 LEU A 10 4.288 12.405 -6.002 1.00 0.00 H new ATOM 0 HD21 LEU A 10 4.134 15.443 -6.488 1.00 0.00 H new ATOM 0 HD22 LEU A 10 3.866 14.225 -7.758 1.00 0.00 H new ATOM 0 HD23 LEU A 10 2.623 15.455 -7.428 1.00 0.00 H new ATOM 157 N ALA A 11 0.209 14.123 -3.885 1.00 0.00 N ATOM 158 CA ALA A 11 -0.336 15.281 -3.187 1.00 0.00 C ATOM 159 C ALA A 11 0.478 16.536 -3.487 1.00 0.00 C ATOM 160 O ALA A 11 1.705 16.534 -3.375 1.00 0.00 O ATOM 161 CB ALA A 11 -0.377 15.023 -1.688 1.00 0.00 C ATOM 0 H ALA A 11 0.868 13.571 -3.336 1.00 0.00 H new ATOM 0 HA ALA A 11 -1.353 15.444 -3.545 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -0.786 15.896 -1.180 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -1.007 14.157 -1.485 1.00 0.00 H new ATOM 0 HB3 ALA A 11 0.632 14.831 -1.324 1.00 0.00 H new ATOM 167 N LEU A 12 -0.211 17.605 -3.868 1.00 0.00 N ATOM 168 CA LEU A 12 0.448 18.867 -4.185 1.00 0.00 C ATOM 169 C LEU A 12 0.464 19.793 -2.973 1.00 0.00 C ATOM 170 O LEU A 12 1.356 20.630 -2.830 1.00 0.00 O ATOM 171 CB LEU A 12 -0.257 19.554 -5.356 1.00 0.00 C ATOM 172 CG LEU A 12 -0.483 18.695 -6.601 1.00 0.00 C ATOM 173 CD1 LEU A 12 -1.579 19.292 -7.470 1.00 0.00 C ATOM 174 CD2 LEU A 12 0.809 18.552 -7.391 1.00 0.00 C ATOM 0 H LEU A 12 -1.226 17.624 -3.965 1.00 0.00 H new ATOM 0 HA LEU A 12 1.478 18.649 -4.466 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -1.224 19.917 -5.009 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.327 20.428 -5.643 1.00 0.00 H new ATOM 0 HG LEU A 12 -0.802 17.703 -6.282 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.726 18.667 -8.351 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.508 19.341 -6.902 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.290 20.296 -7.781 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.630 17.938 -8.273 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.158 19.538 -7.700 1.00 0.00 H new ATOM 0 HD23 LEU A 12 1.567 18.078 -6.767 1.00 0.00 H new ATOM 186 N TYR A 13 -0.526 19.635 -2.101 1.00 0.00 N ATOM 187 CA TYR A 13 -0.625 20.456 -0.901 1.00 0.00 C ATOM 188 C TYR A 13 -0.576 19.593 0.356 1.00 0.00 C ATOM 189 O TYR A 13 -0.585 18.364 0.279 1.00 0.00 O ATOM 190 CB TYR A 13 -1.919 21.272 -0.922 1.00 0.00 C ATOM 191 CG TYR A 13 -1.965 22.307 -2.023 1.00 0.00 C ATOM 192 CD1 TYR A 13 -2.413 21.977 -3.296 1.00 0.00 C ATOM 193 CD2 TYR A 13 -1.560 23.616 -1.791 1.00 0.00 C ATOM 194 CE1 TYR A 13 -2.455 22.919 -4.306 1.00 0.00 C ATOM 195 CE2 TYR A 13 -1.601 24.565 -2.794 1.00 0.00 C ATOM 196 CZ TYR A 13 -2.049 24.212 -4.049 1.00 0.00 C ATOM 197 OH TYR A 13 -2.091 25.153 -5.052 1.00 0.00 O ATOM 0 H TYR A 13 -1.271 18.946 -2.203 1.00 0.00 H new ATOM 0 HA TYR A 13 0.227 21.136 -0.886 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -2.764 20.594 -1.037 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -2.039 21.771 0.039 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -2.734 20.966 -3.500 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -1.207 23.896 -0.810 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -2.804 22.645 -5.291 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -1.284 25.578 -2.596 1.00 0.00 H new ATOM 0 HH TYR A 13 -1.773 26.013 -4.707 1.00 0.00 H new ATOM 207 N ASP A 14 -0.524 20.245 1.512 1.00 0.00 N ATOM 208 CA ASP A 14 -0.475 19.539 2.787 1.00 0.00 C ATOM 209 C ASP A 14 -1.863 19.449 3.412 1.00 0.00 C ATOM 210 O ASP A 14 -2.578 20.447 3.507 1.00 0.00 O ATOM 211 CB ASP A 14 0.486 20.242 3.747 1.00 0.00 C ATOM 212 CG ASP A 14 0.222 21.732 3.843 1.00 0.00 C ATOM 213 OD1 ASP A 14 0.470 22.443 2.848 1.00 0.00 O ATOM 214 OD2 ASP A 14 -0.233 22.186 4.914 1.00 0.00 O ATOM 0 H ASP A 14 -0.515 21.262 1.593 1.00 0.00 H new ATOM 0 HA ASP A 14 -0.114 18.527 2.600 1.00 0.00 H new ATOM 0 HB2 ASP A 14 0.397 19.796 4.737 1.00 0.00 H new ATOM 0 HB3 ASP A 14 1.511 20.078 3.415 1.00 0.00 H new ATOM 219 N TYR A 15 -2.238 18.247 3.836 1.00 0.00 N ATOM 220 CA TYR A 15 -3.542 18.026 4.450 1.00 0.00 C ATOM 221 C TYR A 15 -3.408 17.225 5.741 1.00 0.00 C ATOM 222 O TYR A 15 -2.452 16.471 5.919 1.00 0.00 O ATOM 223 CB TYR A 15 -4.469 17.295 3.477 1.00 0.00 C ATOM 224 CG TYR A 15 -5.929 17.361 3.866 1.00 0.00 C ATOM 225 CD1 TYR A 15 -6.655 18.537 3.719 1.00 0.00 C ATOM 226 CD2 TYR A 15 -6.582 16.249 4.382 1.00 0.00 C ATOM 227 CE1 TYR A 15 -7.989 18.602 4.074 1.00 0.00 C ATOM 228 CE2 TYR A 15 -7.915 16.304 4.739 1.00 0.00 C ATOM 229 CZ TYR A 15 -8.614 17.483 4.583 1.00 0.00 C ATOM 230 OH TYR A 15 -9.942 17.543 4.938 1.00 0.00 O ATOM 0 H TYR A 15 -1.658 17.411 3.766 1.00 0.00 H new ATOM 0 HA TYR A 15 -3.972 18.998 4.691 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -4.347 17.722 2.482 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -4.165 16.250 3.415 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -6.168 19.415 3.321 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -6.037 15.325 4.506 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -8.539 19.524 3.954 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -8.407 15.429 5.138 1.00 0.00 H new ATOM 0 HH TYR A 15 -10.492 17.194 4.206 1.00 0.00 H new ATOM 240 N GLN A 16 -4.375 17.394 6.638 1.00 0.00 N ATOM 241 CA GLN A 16 -4.365 16.687 7.913 1.00 0.00 C ATOM 242 C GLN A 16 -5.649 15.886 8.101 1.00 0.00 C ATOM 243 O GLN A 16 -6.697 16.240 7.561 1.00 0.00 O ATOM 244 CB GLN A 16 -4.193 17.676 9.067 1.00 0.00 C ATOM 245 CG GLN A 16 -5.337 18.669 9.193 1.00 0.00 C ATOM 246 CD GLN A 16 -5.232 19.809 8.199 1.00 0.00 C ATOM 247 OE1 GLN A 16 -6.179 19.874 7.270 1.00 0.00 O flip ATOM 248 NE2 GLN A 16 -4.310 20.623 8.265 1.00 0.00 N flip ATOM 0 H GLN A 16 -5.174 18.014 6.505 1.00 0.00 H new ATOM 0 HA GLN A 16 -3.524 15.994 7.909 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -4.101 17.120 10.000 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -3.261 18.224 8.929 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -6.283 18.148 9.044 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -5.352 19.074 10.205 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -3.604 20.535 8.996 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -4.253 21.385 7.589 1.00 0.00 H new ATOM 257 N GLU A 17 -5.560 14.806 8.870 1.00 0.00 N ATOM 258 CA GLU A 17 -6.715 13.954 9.128 1.00 0.00 C ATOM 259 C GLU A 17 -7.340 14.280 10.481 1.00 0.00 C ATOM 260 O GLU A 17 -6.639 14.437 11.481 1.00 0.00 O ATOM 261 CB GLU A 17 -6.310 12.479 9.083 1.00 0.00 C ATOM 262 CG GLU A 17 -5.538 12.023 10.309 1.00 0.00 C ATOM 263 CD GLU A 17 -4.881 10.670 10.114 1.00 0.00 C ATOM 264 OE1 GLU A 17 -4.737 10.243 8.949 1.00 0.00 O ATOM 265 OE2 GLU A 17 -4.512 10.038 11.126 1.00 0.00 O ATOM 0 H GLU A 17 -4.700 14.500 9.325 1.00 0.00 H new ATOM 0 HA GLU A 17 -7.455 14.144 8.350 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -7.207 11.868 8.980 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -5.702 12.305 8.195 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -4.774 12.763 10.549 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -6.214 11.975 11.163 1.00 0.00 H new ATOM 272 N LYS A 18 -8.665 14.381 10.506 1.00 0.00 N ATOM 273 CA LYS A 18 -9.387 14.688 11.735 1.00 0.00 C ATOM 274 C LYS A 18 -10.225 13.496 12.185 1.00 0.00 C ATOM 275 O LYS A 18 -10.538 13.356 13.367 1.00 0.00 O ATOM 276 CB LYS A 18 -10.286 15.909 11.531 1.00 0.00 C ATOM 277 CG LYS A 18 -11.338 15.717 10.453 1.00 0.00 C ATOM 278 CD LYS A 18 -12.441 16.757 10.558 1.00 0.00 C ATOM 279 CE LYS A 18 -13.358 16.479 11.739 1.00 0.00 C ATOM 280 NZ LYS A 18 -14.468 17.469 11.824 1.00 0.00 N ATOM 0 H LYS A 18 -9.261 14.255 9.688 1.00 0.00 H new ATOM 0 HA LYS A 18 -8.655 14.909 12.512 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -10.782 16.146 12.472 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -9.666 16.767 11.273 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -10.869 15.780 9.471 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -11.768 14.719 10.537 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -11.999 17.748 10.664 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -13.024 16.765 9.637 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -13.773 15.475 11.648 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -12.779 16.502 12.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -15.071 17.245 12.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -14.073 18.425 11.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -15.036 17.429 10.954 1.00 0.00 H new ATOM 294 N SER A 19 -10.585 12.638 11.235 1.00 0.00 N ATOM 295 CA SER A 19 -11.389 11.459 11.534 1.00 0.00 C ATOM 296 C SER A 19 -10.570 10.184 11.357 1.00 0.00 C ATOM 297 O SER A 19 -9.535 10.168 10.690 1.00 0.00 O ATOM 298 CB SER A 19 -12.624 11.416 10.632 1.00 0.00 C ATOM 299 OG SER A 19 -12.858 12.676 10.028 1.00 0.00 O ATOM 0 H SER A 19 -10.332 12.738 10.252 1.00 0.00 H new ATOM 0 HA SER A 19 -11.710 11.522 12.574 1.00 0.00 H new ATOM 0 HB2 SER A 19 -12.488 10.659 9.860 1.00 0.00 H new ATOM 0 HB3 SER A 19 -13.495 11.122 11.217 1.00 0.00 H new ATOM 0 HG SER A 19 -13.651 12.622 9.455 1.00 0.00 H new ATOM 305 N PRO A 20 -11.044 9.088 11.968 1.00 0.00 N ATOM 306 CA PRO A 20 -10.373 7.787 11.893 1.00 0.00 C ATOM 307 C PRO A 20 -10.461 7.169 10.501 1.00 0.00 C ATOM 308 O PRO A 20 -9.817 6.158 10.219 1.00 0.00 O ATOM 309 CB PRO A 20 -11.138 6.934 12.907 1.00 0.00 C ATOM 310 CG PRO A 20 -12.487 7.561 12.988 1.00 0.00 C ATOM 311 CD PRO A 20 -12.272 9.034 12.779 1.00 0.00 C ATOM 0 HA PRO A 20 -9.306 7.866 12.102 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -11.203 5.896 12.582 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -10.643 6.934 13.878 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -13.154 7.152 12.229 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -12.950 7.368 13.956 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -13.115 9.494 12.263 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -12.152 9.561 13.726 1.00 0.00 H new ATOM 319 N ARG A 21 -11.261 7.783 9.636 1.00 0.00 N ATOM 320 CA ARG A 21 -11.433 7.292 8.274 1.00 0.00 C ATOM 321 C ARG A 21 -10.575 8.088 7.296 1.00 0.00 C ATOM 322 O ARG A 21 -10.218 7.597 6.226 1.00 0.00 O ATOM 323 CB ARG A 21 -12.904 7.374 7.862 1.00 0.00 C ATOM 324 CG ARG A 21 -13.405 8.796 7.671 1.00 0.00 C ATOM 325 CD ARG A 21 -14.887 8.913 7.994 1.00 0.00 C ATOM 326 NE ARG A 21 -15.691 7.976 7.214 1.00 0.00 N ATOM 327 CZ ARG A 21 -16.998 8.115 7.020 1.00 0.00 C ATOM 328 NH1 ARG A 21 -17.644 9.147 7.545 1.00 0.00 N ATOM 329 NH2 ARG A 21 -17.662 7.220 6.299 1.00 0.00 N ATOM 0 H ARG A 21 -11.800 8.621 9.854 1.00 0.00 H new ATOM 0 HA ARG A 21 -11.112 6.251 8.247 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -13.044 6.821 6.933 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -13.513 6.882 8.621 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -12.838 9.472 8.311 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -13.230 9.109 6.642 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -15.042 8.727 9.057 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -15.222 9.931 7.796 1.00 0.00 H new ATOM 0 HE ARG A 21 -15.224 7.171 6.796 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -17.138 9.837 8.100 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -18.647 9.251 7.394 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -17.169 6.425 5.893 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -18.665 7.328 6.151 1.00 0.00 H new ATOM 343 N GLU A 22 -10.248 9.321 7.672 1.00 0.00 N ATOM 344 CA GLU A 22 -9.432 10.186 6.827 1.00 0.00 C ATOM 345 C GLU A 22 -7.950 9.858 6.984 1.00 0.00 C ATOM 346 O GLU A 22 -7.523 9.337 8.014 1.00 0.00 O ATOM 347 CB GLU A 22 -9.681 11.655 7.172 1.00 0.00 C ATOM 348 CG GLU A 22 -11.071 12.142 6.799 1.00 0.00 C ATOM 349 CD GLU A 22 -11.055 13.121 5.641 1.00 0.00 C ATOM 350 OE1 GLU A 22 -10.103 13.925 5.556 1.00 0.00 O ATOM 351 OE2 GLU A 22 -11.995 13.084 4.820 1.00 0.00 O ATOM 0 H GLU A 22 -10.535 9.743 8.555 1.00 0.00 H new ATOM 0 HA GLU A 22 -9.717 10.012 5.789 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -9.530 11.799 8.242 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -8.941 12.270 6.660 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -11.694 11.286 6.538 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -11.530 12.618 7.666 1.00 0.00 H new ATOM 358 N VAL A 23 -7.169 10.169 5.953 1.00 0.00 N ATOM 359 CA VAL A 23 -5.735 9.909 5.975 1.00 0.00 C ATOM 360 C VAL A 23 -4.940 11.204 5.857 1.00 0.00 C ATOM 361 O VAL A 23 -5.334 12.125 5.140 1.00 0.00 O ATOM 362 CB VAL A 23 -5.319 8.958 4.837 1.00 0.00 C ATOM 363 CG1 VAL A 23 -5.699 7.524 5.173 1.00 0.00 C ATOM 364 CG2 VAL A 23 -5.951 9.392 3.523 1.00 0.00 C ATOM 0 H VAL A 23 -7.506 10.601 5.093 1.00 0.00 H new ATOM 0 HA VAL A 23 -5.514 9.436 6.932 1.00 0.00 H new ATOM 0 HB VAL A 23 -4.236 9.004 4.726 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -5.397 6.867 4.357 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -5.195 7.219 6.090 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -6.778 7.457 5.313 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -5.647 8.709 2.730 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -7.037 9.376 3.619 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -5.623 10.402 3.278 1.00 0.00 H new ATOM 374 N THR A 24 -3.817 11.270 6.565 1.00 0.00 N ATOM 375 CA THR A 24 -2.965 12.452 6.540 1.00 0.00 C ATOM 376 C THR A 24 -1.985 12.400 5.374 1.00 0.00 C ATOM 377 O THR A 24 -1.157 11.494 5.287 1.00 0.00 O ATOM 378 CB THR A 24 -2.175 12.603 7.854 1.00 0.00 C ATOM 379 OG1 THR A 24 -3.079 12.743 8.956 1.00 0.00 O ATOM 380 CG2 THR A 24 -1.251 13.810 7.794 1.00 0.00 C ATOM 0 H THR A 24 -3.476 10.518 7.163 1.00 0.00 H new ATOM 0 HA THR A 24 -3.623 13.313 6.419 1.00 0.00 H new ATOM 0 HB THR A 24 -1.569 11.708 7.993 1.00 0.00 H new ATOM 0 HG1 THR A 24 -2.569 12.837 9.788 1.00 0.00 H new ATOM 0 HG21 THR A 24 -0.704 13.896 8.733 1.00 0.00 H new ATOM 0 HG22 THR A 24 -0.545 13.687 6.972 1.00 0.00 H new ATOM 0 HG23 THR A 24 -1.841 14.712 7.634 1.00 0.00 H new ATOM 388 N MET A 25 -2.084 13.378 4.480 1.00 0.00 N ATOM 389 CA MET A 25 -1.203 13.444 3.319 1.00 0.00 C ATOM 390 C MET A 25 -0.452 14.771 3.281 1.00 0.00 C ATOM 391 O MET A 25 -0.913 15.773 3.828 1.00 0.00 O ATOM 392 CB MET A 25 -2.008 13.262 2.031 1.00 0.00 C ATOM 393 CG MET A 25 -3.036 14.357 1.798 1.00 0.00 C ATOM 394 SD MET A 25 -4.144 13.989 0.423 1.00 0.00 S ATOM 395 CE MET A 25 -4.903 15.589 0.162 1.00 0.00 C ATOM 0 H MET A 25 -2.765 14.135 4.537 1.00 0.00 H new ATOM 0 HA MET A 25 -0.474 12.637 3.400 1.00 0.00 H new ATOM 0 HB2 MET A 25 -1.322 13.233 1.184 1.00 0.00 H new ATOM 0 HB3 MET A 25 -2.516 12.298 2.063 1.00 0.00 H new ATOM 0 HG2 MET A 25 -3.623 14.497 2.705 1.00 0.00 H new ATOM 0 HG3 MET A 25 -2.521 15.298 1.603 1.00 0.00 H new ATOM 0 HE1 MET A 25 -5.714 15.493 -0.560 1.00 0.00 H new ATOM 0 HE2 MET A 25 -5.299 15.962 1.106 1.00 0.00 H new ATOM 0 HE3 MET A 25 -4.158 16.287 -0.220 1.00 0.00 H new ATOM 405 N LYS A 26 0.707 14.771 2.632 1.00 0.00 N ATOM 406 CA LYS A 26 1.523 15.975 2.522 1.00 0.00 C ATOM 407 C LYS A 26 2.074 16.130 1.108 1.00 0.00 C ATOM 408 O LYS A 26 2.214 15.152 0.374 1.00 0.00 O ATOM 409 CB LYS A 26 2.675 15.929 3.528 1.00 0.00 C ATOM 410 CG LYS A 26 2.217 15.870 4.975 1.00 0.00 C ATOM 411 CD LYS A 26 3.286 16.392 5.920 1.00 0.00 C ATOM 412 CE LYS A 26 3.315 17.913 5.945 1.00 0.00 C ATOM 413 NZ LYS A 26 3.880 18.436 7.219 1.00 0.00 N ATOM 0 H LYS A 26 1.103 13.950 2.174 1.00 0.00 H new ATOM 0 HA LYS A 26 0.891 16.835 2.743 1.00 0.00 H new ATOM 0 HB2 LYS A 26 3.296 15.059 3.317 1.00 0.00 H new ATOM 0 HB3 LYS A 26 3.302 16.810 3.390 1.00 0.00 H new ATOM 0 HG2 LYS A 26 1.307 16.458 5.094 1.00 0.00 H new ATOM 0 HG3 LYS A 26 1.969 14.842 5.237 1.00 0.00 H new ATOM 0 HD2 LYS A 26 3.100 16.014 6.925 1.00 0.00 H new ATOM 0 HD3 LYS A 26 4.261 16.014 5.613 1.00 0.00 H new ATOM 0 HE2 LYS A 26 3.909 18.279 5.107 1.00 0.00 H new ATOM 0 HE3 LYS A 26 2.304 18.298 5.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 3.883 19.476 7.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 3.299 18.108 8.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 4.854 18.090 7.335 1.00 0.00 H new ATOM 427 N LYS A 27 2.387 17.366 0.732 1.00 0.00 N ATOM 428 CA LYS A 27 2.926 17.650 -0.592 1.00 0.00 C ATOM 429 C LYS A 27 4.117 16.748 -0.900 1.00 0.00 C ATOM 430 O LYS A 27 5.209 16.942 -0.366 1.00 0.00 O ATOM 431 CB LYS A 27 3.345 19.118 -0.691 1.00 0.00 C ATOM 432 CG LYS A 27 4.118 19.612 0.520 1.00 0.00 C ATOM 433 CD LYS A 27 3.268 20.523 1.391 1.00 0.00 C ATOM 434 CE LYS A 27 3.003 21.857 0.709 1.00 0.00 C ATOM 435 NZ LYS A 27 4.247 22.662 0.562 1.00 0.00 N ATOM 0 H LYS A 27 2.276 18.187 1.327 1.00 0.00 H new ATOM 0 HA LYS A 27 2.144 17.452 -1.325 1.00 0.00 H new ATOM 0 HB2 LYS A 27 3.957 19.253 -1.583 1.00 0.00 H new ATOM 0 HB3 LYS A 27 2.455 19.734 -0.819 1.00 0.00 H new ATOM 0 HG2 LYS A 27 4.459 18.760 1.108 1.00 0.00 H new ATOM 0 HG3 LYS A 27 5.008 20.148 0.191 1.00 0.00 H new ATOM 0 HD2 LYS A 27 2.320 20.033 1.616 1.00 0.00 H new ATOM 0 HD3 LYS A 27 3.772 20.693 2.342 1.00 0.00 H new ATOM 0 HE2 LYS A 27 2.566 21.682 -0.274 1.00 0.00 H new ATOM 0 HE3 LYS A 27 2.271 22.421 1.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 3.999 23.650 0.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 4.792 22.624 1.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 4.821 22.276 -0.215 1.00 0.00 H new ATOM 449 N GLY A 28 3.900 15.763 -1.765 1.00 0.00 N ATOM 450 CA GLY A 28 4.965 14.847 -2.130 1.00 0.00 C ATOM 451 C GLY A 28 4.590 13.397 -1.895 1.00 0.00 C ATOM 452 O GLY A 28 5.196 12.492 -2.467 1.00 0.00 O ATOM 0 H GLY A 28 3.005 15.582 -2.220 1.00 0.00 H new ATOM 0 HA2 GLY A 28 5.217 14.988 -3.181 1.00 0.00 H new ATOM 0 HA3 GLY A 28 5.859 15.086 -1.553 1.00 0.00 H new ATOM 456 N ASP A 29 3.588 13.177 -1.051 1.00 0.00 N ATOM 457 CA ASP A 29 3.133 11.826 -0.741 1.00 0.00 C ATOM 458 C ASP A 29 2.411 11.209 -1.935 1.00 0.00 C ATOM 459 O ASP A 29 1.871 11.921 -2.782 1.00 0.00 O ATOM 460 CB ASP A 29 2.207 11.844 0.476 1.00 0.00 C ATOM 461 CG ASP A 29 2.970 11.762 1.784 1.00 0.00 C ATOM 462 OD1 ASP A 29 4.073 12.342 1.866 1.00 0.00 O ATOM 463 OD2 ASP A 29 2.462 11.119 2.727 1.00 0.00 O ATOM 0 H ASP A 29 3.076 13.916 -0.569 1.00 0.00 H new ATOM 0 HA ASP A 29 4.008 11.217 -0.514 1.00 0.00 H new ATOM 0 HB2 ASP A 29 1.611 12.757 0.463 1.00 0.00 H new ATOM 0 HB3 ASP A 29 1.511 11.008 0.412 1.00 0.00 H new ATOM 468 N ILE A 30 2.408 9.882 -1.996 1.00 0.00 N ATOM 469 CA ILE A 30 1.753 9.169 -3.086 1.00 0.00 C ATOM 470 C ILE A 30 0.867 8.047 -2.556 1.00 0.00 C ATOM 471 O ILE A 30 1.315 7.201 -1.780 1.00 0.00 O ATOM 472 CB ILE A 30 2.780 8.577 -4.069 1.00 0.00 C ATOM 473 CG1 ILE A 30 3.702 9.676 -4.602 1.00 0.00 C ATOM 474 CG2 ILE A 30 2.071 7.870 -5.214 1.00 0.00 C ATOM 475 CD1 ILE A 30 4.894 9.146 -5.368 1.00 0.00 C ATOM 0 H ILE A 30 2.852 9.279 -1.304 1.00 0.00 H new ATOM 0 HA ILE A 30 1.136 9.897 -3.613 1.00 0.00 H new ATOM 0 HB ILE A 30 3.389 7.845 -3.538 1.00 0.00 H new ATOM 0 HG12 ILE A 30 3.128 10.337 -5.251 1.00 0.00 H new ATOM 0 HG13 ILE A 30 4.056 10.279 -3.766 1.00 0.00 H new ATOM 0 HG21 ILE A 30 2.810 7.457 -5.900 1.00 0.00 H new ATOM 0 HG22 ILE A 30 1.454 7.064 -4.817 1.00 0.00 H new ATOM 0 HG23 ILE A 30 1.440 8.582 -5.746 1.00 0.00 H new ATOM 0 HD11 ILE A 30 5.503 9.980 -5.716 1.00 0.00 H new ATOM 0 HD12 ILE A 30 5.491 8.508 -4.716 1.00 0.00 H new ATOM 0 HD13 ILE A 30 4.548 8.567 -6.225 1.00 0.00 H new ATOM 487 N LEU A 31 -0.392 8.044 -2.980 1.00 0.00 N ATOM 488 CA LEU A 31 -1.341 7.024 -2.550 1.00 0.00 C ATOM 489 C LEU A 31 -1.984 6.337 -3.750 1.00 0.00 C ATOM 490 O LEU A 31 -1.847 6.791 -4.887 1.00 0.00 O ATOM 491 CB LEU A 31 -2.423 7.646 -1.665 1.00 0.00 C ATOM 492 CG LEU A 31 -1.959 8.753 -0.717 1.00 0.00 C ATOM 493 CD1 LEU A 31 -3.089 9.167 0.213 1.00 0.00 C ATOM 494 CD2 LEU A 31 -0.748 8.297 0.083 1.00 0.00 C ATOM 0 H LEU A 31 -0.779 8.737 -3.621 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.795 6.276 -1.975 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -3.204 8.050 -2.309 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -2.879 6.854 -1.071 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.671 9.619 -1.313 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.741 9.955 0.880 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.929 9.535 -0.376 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.408 8.308 0.802 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.432 9.097 0.752 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.010 7.416 0.669 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.066 8.051 -0.598 1.00 0.00 H new ATOM 506 N THR A 32 -2.689 5.240 -3.491 1.00 0.00 N ATOM 507 CA THR A 32 -3.354 4.490 -4.550 1.00 0.00 C ATOM 508 C THR A 32 -4.821 4.887 -4.665 1.00 0.00 C ATOM 509 O THR A 32 -5.615 4.640 -3.757 1.00 0.00 O ATOM 510 CB THR A 32 -3.262 2.972 -4.306 1.00 0.00 C ATOM 511 OG1 THR A 32 -1.913 2.607 -3.996 1.00 0.00 O ATOM 512 CG2 THR A 32 -3.734 2.199 -5.528 1.00 0.00 C ATOM 0 H THR A 32 -2.814 4.851 -2.556 1.00 0.00 H new ATOM 0 HA THR A 32 -2.840 4.732 -5.480 1.00 0.00 H new ATOM 0 HB THR A 32 -3.908 2.721 -3.465 1.00 0.00 H new ATOM 0 HG1 THR A 32 -1.863 1.641 -3.841 1.00 0.00 H new ATOM 0 HG21 THR A 32 -3.660 1.129 -5.333 1.00 0.00 H new ATOM 0 HG22 THR A 32 -4.771 2.458 -5.744 1.00 0.00 H new ATOM 0 HG23 THR A 32 -3.110 2.455 -6.384 1.00 0.00 H new ATOM 520 N LEU A 33 -5.176 5.503 -5.788 1.00 0.00 N ATOM 521 CA LEU A 33 -6.549 5.934 -6.023 1.00 0.00 C ATOM 522 C LEU A 33 -7.502 4.743 -6.018 1.00 0.00 C ATOM 523 O LEU A 33 -7.526 3.949 -6.960 1.00 0.00 O ATOM 524 CB LEU A 33 -6.650 6.677 -7.356 1.00 0.00 C ATOM 525 CG LEU A 33 -7.716 7.771 -7.436 1.00 0.00 C ATOM 526 CD1 LEU A 33 -9.070 7.230 -7.005 1.00 0.00 C ATOM 527 CD2 LEU A 33 -7.319 8.965 -6.580 1.00 0.00 C ATOM 0 H LEU A 33 -4.531 5.715 -6.550 1.00 0.00 H new ATOM 0 HA LEU A 33 -6.835 6.608 -5.216 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -5.681 7.126 -7.573 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -6.847 5.948 -8.142 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.794 8.101 -8.472 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -9.816 8.023 -7.069 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -9.358 6.407 -7.660 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -9.008 6.872 -5.977 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -8.089 9.734 -6.649 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -7.213 8.649 -5.542 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.371 9.368 -6.935 1.00 0.00 H new ATOM 539 N LEU A 34 -8.288 4.625 -4.953 1.00 0.00 N ATOM 540 CA LEU A 34 -9.245 3.532 -4.826 1.00 0.00 C ATOM 541 C LEU A 34 -10.593 3.916 -5.427 1.00 0.00 C ATOM 542 O LEU A 34 -11.185 3.152 -6.189 1.00 0.00 O ATOM 543 CB LEU A 34 -9.420 3.149 -3.356 1.00 0.00 C ATOM 544 CG LEU A 34 -9.392 1.652 -3.044 1.00 0.00 C ATOM 545 CD1 LEU A 34 -8.082 1.034 -3.508 1.00 0.00 C ATOM 546 CD2 LEU A 34 -9.599 1.413 -1.555 1.00 0.00 C ATOM 0 H LEU A 34 -8.281 5.273 -4.165 1.00 0.00 H new ATOM 0 HA LEU A 34 -8.854 2.675 -5.374 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -8.633 3.635 -2.779 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -10.369 3.555 -3.006 1.00 0.00 H new ATOM 0 HG LEU A 34 -10.208 1.173 -3.585 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -8.081 -0.031 -3.278 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -7.975 1.173 -4.584 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -7.250 1.517 -2.996 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -9.576 0.342 -1.352 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -8.805 1.906 -0.994 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -10.564 1.819 -1.252 1.00 0.00 H new ATOM 558 N ASN A 35 -11.072 5.106 -5.080 1.00 0.00 N ATOM 559 CA ASN A 35 -12.350 5.593 -5.587 1.00 0.00 C ATOM 560 C ASN A 35 -12.248 7.057 -6.004 1.00 0.00 C ATOM 561 O ASN A 35 -11.895 7.919 -5.199 1.00 0.00 O ATOM 562 CB ASN A 35 -13.440 5.429 -4.525 1.00 0.00 C ATOM 563 CG ASN A 35 -14.810 5.829 -5.036 1.00 0.00 C ATOM 564 OD1 ASN A 35 -15.547 6.553 -4.366 1.00 0.00 O ATOM 565 ND2 ASN A 35 -15.158 5.359 -6.228 1.00 0.00 N ATOM 0 H ASN A 35 -10.595 5.751 -4.450 1.00 0.00 H new ATOM 0 HA ASN A 35 -12.614 5.001 -6.464 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -13.468 4.391 -4.194 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -13.189 6.035 -3.654 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -16.068 5.595 -6.623 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -14.515 4.762 -6.748 1.00 0.00 H new ATOM 572 N SER A 36 -12.560 7.330 -7.267 1.00 0.00 N ATOM 573 CA SER A 36 -12.500 8.689 -7.792 1.00 0.00 C ATOM 574 C SER A 36 -13.848 9.107 -8.373 1.00 0.00 C ATOM 575 O SER A 36 -13.935 10.056 -9.153 1.00 0.00 O ATOM 576 CB SER A 36 -11.415 8.797 -8.865 1.00 0.00 C ATOM 577 OG SER A 36 -11.106 7.525 -9.407 1.00 0.00 O ATOM 0 H SER A 36 -12.857 6.628 -7.945 1.00 0.00 H new ATOM 0 HA SER A 36 -12.255 9.359 -6.968 1.00 0.00 H new ATOM 0 HB2 SER A 36 -11.750 9.463 -9.660 1.00 0.00 H new ATOM 0 HB3 SER A 36 -10.517 9.241 -8.435 1.00 0.00 H new ATOM 0 HG SER A 36 -10.411 7.621 -10.092 1.00 0.00 H new ATOM 583 N THR A 37 -14.899 8.391 -7.986 1.00 0.00 N ATOM 584 CA THR A 37 -16.243 8.685 -8.468 1.00 0.00 C ATOM 585 C THR A 37 -16.590 10.155 -8.267 1.00 0.00 C ATOM 586 O THR A 37 -17.304 10.750 -9.073 1.00 0.00 O ATOM 587 CB THR A 37 -17.298 7.818 -7.755 1.00 0.00 C ATOM 588 OG1 THR A 37 -18.594 8.068 -8.310 1.00 0.00 O ATOM 589 CG2 THR A 37 -17.316 8.108 -6.262 1.00 0.00 C ATOM 0 H THR A 37 -14.845 7.603 -7.340 1.00 0.00 H new ATOM 0 HA THR A 37 -16.254 8.454 -9.533 1.00 0.00 H new ATOM 0 HB THR A 37 -17.036 6.770 -7.903 1.00 0.00 H new ATOM 0 HG1 THR A 37 -19.259 7.512 -7.852 1.00 0.00 H new ATOM 0 HG21 THR A 37 -18.068 7.484 -5.779 1.00 0.00 H new ATOM 0 HG22 THR A 37 -16.336 7.889 -5.837 1.00 0.00 H new ATOM 0 HG23 THR A 37 -17.556 9.159 -6.098 1.00 0.00 H new ATOM 597 N ASN A 38 -16.078 10.737 -7.187 1.00 0.00 N ATOM 598 CA ASN A 38 -16.334 12.139 -6.880 1.00 0.00 C ATOM 599 C ASN A 38 -15.226 13.029 -7.435 1.00 0.00 C ATOM 600 O ASN A 38 -14.210 12.539 -7.928 1.00 0.00 O ATOM 601 CB ASN A 38 -16.454 12.339 -5.368 1.00 0.00 C ATOM 602 CG ASN A 38 -17.653 13.187 -4.990 1.00 0.00 C ATOM 603 OD1 ASN A 38 -18.256 13.843 -5.839 1.00 0.00 O ATOM 604 ND2 ASN A 38 -18.003 13.179 -3.709 1.00 0.00 N ATOM 0 H ASN A 38 -15.483 10.259 -6.510 1.00 0.00 H new ATOM 0 HA ASN A 38 -17.274 12.422 -7.353 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -16.532 11.367 -4.881 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -15.546 12.811 -4.994 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -18.801 13.732 -3.395 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -17.474 12.620 -3.039 1.00 0.00 H new ATOM 611 N LYS A 39 -15.428 14.339 -7.350 1.00 0.00 N ATOM 612 CA LYS A 39 -14.447 15.299 -7.842 1.00 0.00 C ATOM 613 C LYS A 39 -13.862 16.115 -6.693 1.00 0.00 C ATOM 614 O LYS A 39 -12.774 16.680 -6.812 1.00 0.00 O ATOM 615 CB LYS A 39 -15.087 16.233 -8.871 1.00 0.00 C ATOM 616 CG LYS A 39 -15.451 15.543 -10.174 1.00 0.00 C ATOM 617 CD LYS A 39 -16.157 16.491 -11.129 1.00 0.00 C ATOM 618 CE LYS A 39 -17.657 16.518 -10.880 1.00 0.00 C ATOM 619 NZ LYS A 39 -18.012 17.381 -9.719 1.00 0.00 N ATOM 0 H LYS A 39 -16.263 14.761 -6.944 1.00 0.00 H new ATOM 0 HA LYS A 39 -13.639 14.743 -8.319 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -15.986 16.674 -8.440 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -14.400 17.052 -9.083 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -14.548 15.155 -10.646 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -16.095 14.688 -9.967 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -15.750 17.495 -11.014 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -15.963 16.185 -12.157 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -18.167 16.882 -11.772 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -18.014 15.504 -10.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -18.921 17.853 -9.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -18.092 16.796 -8.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -17.272 18.098 -9.580 1.00 0.00 H new ATOM 633 N ASP A 40 -14.590 16.172 -5.583 1.00 0.00 N ATOM 634 CA ASP A 40 -14.141 16.918 -4.413 1.00 0.00 C ATOM 635 C ASP A 40 -13.413 16.003 -3.433 1.00 0.00 C ATOM 636 O ASP A 40 -12.271 16.266 -3.056 1.00 0.00 O ATOM 637 CB ASP A 40 -15.331 17.584 -3.720 1.00 0.00 C ATOM 638 CG ASP A 40 -16.170 18.410 -4.676 1.00 0.00 C ATOM 639 OD1 ASP A 40 -15.601 19.289 -5.357 1.00 0.00 O ATOM 640 OD2 ASP A 40 -17.394 18.176 -4.743 1.00 0.00 O ATOM 0 H ASP A 40 -15.493 15.711 -5.469 1.00 0.00 H new ATOM 0 HA ASP A 40 -13.447 17.689 -4.747 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -15.956 16.818 -3.262 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -14.968 18.223 -2.915 1.00 0.00 H new ATOM 645 N TRP A 41 -14.081 14.931 -3.023 1.00 0.00 N ATOM 646 CA TRP A 41 -13.498 13.979 -2.086 1.00 0.00 C ATOM 647 C TRP A 41 -12.986 12.741 -2.815 1.00 0.00 C ATOM 648 O TRP A 41 -13.770 11.960 -3.354 1.00 0.00 O ATOM 649 CB TRP A 41 -14.527 13.575 -1.029 1.00 0.00 C ATOM 650 CG TRP A 41 -14.852 14.675 -0.064 1.00 0.00 C ATOM 651 CD1 TRP A 41 -16.014 15.389 0.004 1.00 0.00 C ATOM 652 CD2 TRP A 41 -14.002 15.187 0.968 1.00 0.00 C ATOM 653 NE1 TRP A 41 -15.938 16.314 1.017 1.00 0.00 N ATOM 654 CE2 TRP A 41 -14.714 16.210 1.624 1.00 0.00 C ATOM 655 CE3 TRP A 41 -12.710 14.880 1.403 1.00 0.00 C ATOM 656 CZ2 TRP A 41 -14.175 16.926 2.690 1.00 0.00 C ATOM 657 CZ3 TRP A 41 -12.177 15.592 2.460 1.00 0.00 C ATOM 658 CH2 TRP A 41 -12.908 16.605 3.095 1.00 0.00 C ATOM 0 H TRP A 41 -15.027 14.699 -3.325 1.00 0.00 H new ATOM 0 HA TRP A 41 -12.654 14.463 -1.594 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -15.443 13.256 -1.527 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -14.150 12.715 -0.475 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -16.867 15.247 -0.643 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -16.674 16.972 1.275 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -12.139 14.100 0.922 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -14.737 17.707 3.180 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -11.179 15.364 2.803 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -12.463 17.142 3.919 1.00 0.00 H new ATOM 669 N TRP A 42 -11.670 12.569 -2.827 1.00 0.00 N ATOM 670 CA TRP A 42 -11.055 11.425 -3.490 1.00 0.00 C ATOM 671 C TRP A 42 -10.581 10.395 -2.471 1.00 0.00 C ATOM 672 O TRP A 42 -9.878 10.728 -1.517 1.00 0.00 O ATOM 673 CB TRP A 42 -9.880 11.882 -4.356 1.00 0.00 C ATOM 674 CG TRP A 42 -10.265 12.171 -5.775 1.00 0.00 C ATOM 675 CD1 TRP A 42 -11.526 12.371 -6.258 1.00 0.00 C ATOM 676 CD2 TRP A 42 -9.381 12.289 -6.896 1.00 0.00 C ATOM 677 NE1 TRP A 42 -11.481 12.607 -7.611 1.00 0.00 N ATOM 678 CE2 TRP A 42 -10.176 12.563 -8.026 1.00 0.00 C ATOM 679 CE3 TRP A 42 -7.996 12.192 -7.054 1.00 0.00 C ATOM 680 CZ2 TRP A 42 -9.630 12.739 -9.295 1.00 0.00 C ATOM 681 CZ3 TRP A 42 -7.456 12.367 -8.314 1.00 0.00 C ATOM 682 CH2 TRP A 42 -8.271 12.639 -9.421 1.00 0.00 C ATOM 0 H TRP A 42 -11.008 13.207 -2.385 1.00 0.00 H new ATOM 0 HA TRP A 42 -11.807 10.959 -4.127 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -9.441 12.778 -3.917 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -9.109 11.111 -4.346 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -12.427 12.347 -5.664 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -12.288 12.786 -8.209 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -7.359 11.984 -6.207 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -10.257 12.947 -10.149 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -6.387 12.293 -8.448 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -7.818 12.772 -10.392 1.00 0.00 H new ATOM 693 N LYS A 43 -10.969 9.141 -2.679 1.00 0.00 N ATOM 694 CA LYS A 43 -10.582 8.061 -1.779 1.00 0.00 C ATOM 695 C LYS A 43 -9.317 7.367 -2.274 1.00 0.00 C ATOM 696 O LYS A 43 -9.268 6.871 -3.400 1.00 0.00 O ATOM 697 CB LYS A 43 -11.719 7.043 -1.653 1.00 0.00 C ATOM 698 CG LYS A 43 -13.102 7.671 -1.665 1.00 0.00 C ATOM 699 CD LYS A 43 -14.155 6.711 -1.138 1.00 0.00 C ATOM 700 CE LYS A 43 -15.560 7.251 -1.353 1.00 0.00 C ATOM 701 NZ LYS A 43 -16.593 6.192 -1.187 1.00 0.00 N ATOM 0 H LYS A 43 -11.551 8.848 -3.463 1.00 0.00 H new ATOM 0 HA LYS A 43 -10.378 8.493 -0.799 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -11.647 6.327 -2.472 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -11.592 6.482 -0.727 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -13.097 8.576 -1.058 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -13.358 7.971 -2.681 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -14.054 5.748 -1.639 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -13.990 6.536 -0.075 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -15.751 8.058 -0.646 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -15.636 7.678 -2.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -17.537 6.600 -1.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -16.427 5.433 -1.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -16.538 5.801 -0.225 1.00 0.00 H new ATOM 715 N VAL A 44 -8.295 7.334 -1.424 1.00 0.00 N ATOM 716 CA VAL A 44 -7.030 6.699 -1.774 1.00 0.00 C ATOM 717 C VAL A 44 -6.574 5.743 -0.678 1.00 0.00 C ATOM 718 O VAL A 44 -6.971 5.875 0.479 1.00 0.00 O ATOM 719 CB VAL A 44 -5.927 7.744 -2.022 1.00 0.00 C ATOM 720 CG1 VAL A 44 -6.011 8.285 -3.441 1.00 0.00 C ATOM 721 CG2 VAL A 44 -6.025 8.872 -1.006 1.00 0.00 C ATOM 0 H VAL A 44 -8.319 7.740 -0.488 1.00 0.00 H new ATOM 0 HA VAL A 44 -7.200 6.138 -2.693 1.00 0.00 H new ATOM 0 HB VAL A 44 -4.958 7.259 -1.901 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.223 9.022 -3.597 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -5.887 7.467 -4.150 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -6.983 8.755 -3.594 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -5.238 9.602 -1.196 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -6.998 9.356 -1.093 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -5.910 8.467 -0.001 1.00 0.00 H new ATOM 731 N GLU A 45 -5.736 4.780 -1.051 1.00 0.00 N ATOM 732 CA GLU A 45 -5.225 3.802 -0.098 1.00 0.00 C ATOM 733 C GLU A 45 -3.790 4.130 0.303 1.00 0.00 C ATOM 734 O GLU A 45 -2.963 4.480 -0.540 1.00 0.00 O ATOM 735 CB GLU A 45 -5.291 2.394 -0.694 1.00 0.00 C ATOM 736 CG GLU A 45 -5.245 1.289 0.347 1.00 0.00 C ATOM 737 CD GLU A 45 -5.631 -0.063 -0.220 1.00 0.00 C ATOM 738 OE1 GLU A 45 -5.376 -0.299 -1.419 1.00 0.00 O ATOM 739 OE2 GLU A 45 -6.188 -0.886 0.537 1.00 0.00 O ATOM 0 H GLU A 45 -5.397 4.657 -2.005 1.00 0.00 H new ATOM 0 HA GLU A 45 -5.850 3.841 0.794 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -6.209 2.297 -1.274 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -4.460 2.263 -1.387 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -4.240 1.230 0.765 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -5.917 1.540 1.168 1.00 0.00 H new ATOM 746 N VAL A 46 -3.501 4.015 1.595 1.00 0.00 N ATOM 747 CA VAL A 46 -2.167 4.299 2.109 1.00 0.00 C ATOM 748 C VAL A 46 -1.600 3.099 2.859 1.00 0.00 C ATOM 749 O VAL A 46 -2.250 2.059 2.971 1.00 0.00 O ATOM 750 CB VAL A 46 -2.174 5.520 3.047 1.00 0.00 C ATOM 751 CG1 VAL A 46 -2.517 6.785 2.274 1.00 0.00 C ATOM 752 CG2 VAL A 46 -3.151 5.305 4.193 1.00 0.00 C ATOM 0 H VAL A 46 -4.174 3.727 2.305 1.00 0.00 H new ATOM 0 HA VAL A 46 -1.536 4.517 1.247 1.00 0.00 H new ATOM 0 HB VAL A 46 -1.176 5.639 3.468 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -2.517 7.638 2.953 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -1.776 6.945 1.491 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -3.504 6.680 1.823 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -3.143 6.178 4.846 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -4.155 5.160 3.793 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -2.856 4.423 4.762 1.00 0.00 H new ATOM 762 N LYS A 47 -0.384 3.250 3.374 1.00 0.00 N ATOM 763 CA LYS A 47 0.271 2.180 4.116 1.00 0.00 C ATOM 764 C LYS A 47 0.657 2.646 5.516 1.00 0.00 C ATOM 765 O LYS A 47 1.543 3.486 5.679 1.00 0.00 O ATOM 766 CB LYS A 47 1.516 1.699 3.367 1.00 0.00 C ATOM 767 CG LYS A 47 2.029 0.351 3.841 1.00 0.00 C ATOM 768 CD LYS A 47 3.080 -0.209 2.898 1.00 0.00 C ATOM 769 CE LYS A 47 2.453 -1.066 1.810 1.00 0.00 C ATOM 770 NZ LYS A 47 3.292 -1.103 0.580 1.00 0.00 N ATOM 0 H LYS A 47 0.168 4.104 3.291 1.00 0.00 H new ATOM 0 HA LYS A 47 -0.433 1.353 4.208 1.00 0.00 H new ATOM 0 HB2 LYS A 47 1.288 1.638 2.303 1.00 0.00 H new ATOM 0 HB3 LYS A 47 2.307 2.440 3.481 1.00 0.00 H new ATOM 0 HG2 LYS A 47 2.453 0.453 4.840 1.00 0.00 H new ATOM 0 HG3 LYS A 47 1.197 -0.349 3.917 1.00 0.00 H new ATOM 0 HD2 LYS A 47 3.635 0.611 2.442 1.00 0.00 H new ATOM 0 HD3 LYS A 47 3.797 -0.804 3.463 1.00 0.00 H new ATOM 0 HE2 LYS A 47 2.311 -2.080 2.183 1.00 0.00 H new ATOM 0 HE3 LYS A 47 1.465 -0.676 1.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 2.830 -1.697 -0.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 3.407 -0.138 0.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 4.226 -1.499 0.809 1.00 0.00 H new ATOM 784 N ILE A 48 -0.013 2.096 6.524 1.00 0.00 N ATOM 785 CA ILE A 48 0.262 2.455 7.909 1.00 0.00 C ATOM 786 C ILE A 48 0.894 1.289 8.664 1.00 0.00 C ATOM 787 O ILE A 48 0.284 0.231 8.818 1.00 0.00 O ATOM 788 CB ILE A 48 -1.019 2.892 8.643 1.00 0.00 C ATOM 789 CG1 ILE A 48 -1.643 4.103 7.947 1.00 0.00 C ATOM 790 CG2 ILE A 48 -0.714 3.210 10.099 1.00 0.00 C ATOM 791 CD1 ILE A 48 -3.144 4.189 8.113 1.00 0.00 C ATOM 0 H ILE A 48 -0.750 1.400 6.407 1.00 0.00 H new ATOM 0 HA ILE A 48 0.960 3.292 7.885 1.00 0.00 H new ATOM 0 HB ILE A 48 -1.735 2.070 8.614 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -1.189 5.012 8.342 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -1.405 4.063 6.884 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -1.630 3.517 10.604 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -0.310 2.324 10.588 1.00 0.00 H new ATOM 0 HG23 ILE A 48 0.017 4.017 10.150 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -3.518 5.072 7.594 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -3.608 3.297 7.692 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -3.389 4.260 9.173 1.00 0.00 H new ATOM 803 N THR A 49 2.120 1.492 9.135 1.00 0.00 N ATOM 804 CA THR A 49 2.835 0.459 9.874 1.00 0.00 C ATOM 805 C THR A 49 2.673 0.647 11.378 1.00 0.00 C ATOM 806 O THR A 49 3.051 1.682 11.928 1.00 0.00 O ATOM 807 CB THR A 49 4.336 0.456 9.527 1.00 0.00 C ATOM 808 OG1 THR A 49 4.515 0.201 8.129 1.00 0.00 O ATOM 809 CG2 THR A 49 5.077 -0.595 10.339 1.00 0.00 C ATOM 0 H THR A 49 2.639 2.362 9.018 1.00 0.00 H new ATOM 0 HA THR A 49 2.400 -0.497 9.581 1.00 0.00 H new ATOM 0 HB THR A 49 4.745 1.436 9.772 1.00 0.00 H new ATOM 0 HG1 THR A 49 5.472 0.202 7.916 1.00 0.00 H new ATOM 0 HG21 THR A 49 6.135 -0.578 10.077 1.00 0.00 H new ATOM 0 HG22 THR A 49 4.963 -0.381 11.402 1.00 0.00 H new ATOM 0 HG23 THR A 49 4.665 -1.580 10.121 1.00 0.00 H new ATOM 817 N VAL A 50 2.111 -0.359 12.039 1.00 0.00 N ATOM 818 CA VAL A 50 1.901 -0.305 13.481 1.00 0.00 C ATOM 819 C VAL A 50 2.398 -1.578 14.157 1.00 0.00 C ATOM 820 O VAL A 50 2.091 -2.685 13.719 1.00 0.00 O ATOM 821 CB VAL A 50 0.413 -0.102 13.824 1.00 0.00 C ATOM 822 CG1 VAL A 50 0.211 -0.078 15.331 1.00 0.00 C ATOM 823 CG2 VAL A 50 -0.110 1.177 13.188 1.00 0.00 C ATOM 0 H VAL A 50 1.792 -1.222 11.599 1.00 0.00 H new ATOM 0 HA VAL A 50 2.471 0.546 13.852 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.153 -0.941 13.419 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.846 0.066 15.554 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.546 -1.023 15.758 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.788 0.740 15.762 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -1.163 1.305 13.440 1.00 0.00 H new ATOM 0 HG22 VAL A 50 0.459 2.028 13.562 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -0.002 1.116 12.105 1.00 0.00 H new ATOM 833 N ASN A 51 3.167 -1.410 15.228 1.00 0.00 N ATOM 834 CA ASN A 51 3.708 -2.546 15.965 1.00 0.00 C ATOM 835 C ASN A 51 4.539 -3.442 15.052 1.00 0.00 C ATOM 836 O ASN A 51 4.586 -4.658 15.233 1.00 0.00 O ATOM 837 CB ASN A 51 2.574 -3.356 16.598 1.00 0.00 C ATOM 838 CG ASN A 51 3.073 -4.319 17.658 1.00 0.00 C ATOM 839 OD1 ASN A 51 4.268 -4.375 17.949 1.00 0.00 O ATOM 840 ND2 ASN A 51 2.157 -5.083 18.241 1.00 0.00 N ATOM 0 H ASN A 51 3.429 -0.499 15.604 1.00 0.00 H new ATOM 0 HA ASN A 51 4.355 -2.161 16.753 1.00 0.00 H new ATOM 0 HB2 ASN A 51 1.849 -2.675 17.043 1.00 0.00 H new ATOM 0 HB3 ASN A 51 2.052 -3.914 15.821 1.00 0.00 H new ATOM 0 HD21 ASN A 51 2.433 -5.750 18.962 1.00 0.00 H new ATOM 0 HD22 ASN A 51 1.177 -5.003 17.968 1.00 0.00 H new ATOM 847 N GLY A 52 5.195 -2.832 14.070 1.00 0.00 N ATOM 848 CA GLY A 52 6.016 -3.589 13.144 1.00 0.00 C ATOM 849 C GLY A 52 5.190 -4.378 12.148 1.00 0.00 C ATOM 850 O GLY A 52 5.685 -5.317 11.524 1.00 0.00 O ATOM 0 H GLY A 52 5.172 -1.827 13.899 1.00 0.00 H new ATOM 0 HA2 GLY A 52 6.674 -2.907 12.606 1.00 0.00 H new ATOM 0 HA3 GLY A 52 6.654 -4.272 13.704 1.00 0.00 H new ATOM 854 N LYS A 53 3.925 -3.998 11.998 1.00 0.00 N ATOM 855 CA LYS A 53 3.027 -4.676 11.072 1.00 0.00 C ATOM 856 C LYS A 53 2.410 -3.686 10.089 1.00 0.00 C ATOM 857 O LYS A 53 1.746 -2.729 10.489 1.00 0.00 O ATOM 858 CB LYS A 53 1.921 -5.403 11.841 1.00 0.00 C ATOM 859 CG LYS A 53 2.414 -6.612 12.617 1.00 0.00 C ATOM 860 CD LYS A 53 1.430 -7.018 13.701 1.00 0.00 C ATOM 861 CE LYS A 53 0.143 -7.569 13.107 1.00 0.00 C ATOM 862 NZ LYS A 53 0.226 -9.037 12.868 1.00 0.00 N ATOM 0 H LYS A 53 3.499 -3.223 12.507 1.00 0.00 H new ATOM 0 HA LYS A 53 3.610 -5.405 10.509 1.00 0.00 H new ATOM 0 HB2 LYS A 53 1.452 -4.704 12.533 1.00 0.00 H new ATOM 0 HB3 LYS A 53 1.151 -5.722 11.139 1.00 0.00 H new ATOM 0 HG2 LYS A 53 2.568 -7.447 11.933 1.00 0.00 H new ATOM 0 HG3 LYS A 53 3.381 -6.387 13.068 1.00 0.00 H new ATOM 0 HD2 LYS A 53 1.886 -7.770 14.345 1.00 0.00 H new ATOM 0 HD3 LYS A 53 1.203 -6.156 14.329 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -0.688 -7.357 13.780 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -0.071 -7.060 12.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -0.671 -9.374 12.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 1.002 -9.238 12.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 0.404 -9.526 13.768 1.00 0.00 H new ATOM 876 N THR A 54 2.631 -3.923 8.800 1.00 0.00 N ATOM 877 CA THR A 54 2.097 -3.052 7.760 1.00 0.00 C ATOM 878 C THR A 54 0.600 -3.271 7.576 1.00 0.00 C ATOM 879 O THR A 54 0.140 -4.405 7.439 1.00 0.00 O ATOM 880 CB THR A 54 2.808 -3.284 6.413 1.00 0.00 C ATOM 881 OG1 THR A 54 3.352 -4.608 6.368 1.00 0.00 O ATOM 882 CG2 THR A 54 3.918 -2.266 6.205 1.00 0.00 C ATOM 0 H THR A 54 3.176 -4.711 8.451 1.00 0.00 H new ATOM 0 HA THR A 54 2.275 -2.027 8.084 1.00 0.00 H new ATOM 0 HB THR A 54 2.075 -3.166 5.615 1.00 0.00 H new ATOM 0 HG1 THR A 54 3.801 -4.748 5.508 1.00 0.00 H new ATOM 0 HG21 THR A 54 4.406 -2.450 5.248 1.00 0.00 H new ATOM 0 HG22 THR A 54 3.496 -1.261 6.210 1.00 0.00 H new ATOM 0 HG23 THR A 54 4.650 -2.356 7.008 1.00 0.00 H new ATOM 890 N TYR A 55 -0.157 -2.179 7.573 1.00 0.00 N ATOM 891 CA TYR A 55 -1.604 -2.252 7.407 1.00 0.00 C ATOM 892 C TYR A 55 -2.058 -1.414 6.215 1.00 0.00 C ATOM 893 O TYR A 55 -1.472 -0.375 5.914 1.00 0.00 O ATOM 894 CB TYR A 55 -2.308 -1.775 8.678 1.00 0.00 C ATOM 895 CG TYR A 55 -2.051 -2.656 9.879 1.00 0.00 C ATOM 896 CD1 TYR A 55 -2.737 -3.853 10.048 1.00 0.00 C ATOM 897 CD2 TYR A 55 -1.121 -2.293 10.846 1.00 0.00 C ATOM 898 CE1 TYR A 55 -2.506 -4.660 11.145 1.00 0.00 C ATOM 899 CE2 TYR A 55 -0.882 -3.095 11.945 1.00 0.00 C ATOM 900 CZ TYR A 55 -1.577 -4.277 12.090 1.00 0.00 C ATOM 901 OH TYR A 55 -1.343 -5.080 13.183 1.00 0.00 O ATOM 0 H TYR A 55 0.208 -1.233 7.684 1.00 0.00 H new ATOM 0 HA TYR A 55 -1.872 -3.292 7.220 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -1.981 -0.760 8.906 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -3.381 -1.730 8.494 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -3.463 -4.157 9.309 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -0.575 -1.367 10.736 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -3.050 -5.586 11.262 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -0.155 -2.798 12.686 1.00 0.00 H new ATOM 0 HH TYR A 55 -0.660 -4.668 13.752 1.00 0.00 H new ATOM 911 N GLU A 56 -3.108 -1.875 5.542 1.00 0.00 N ATOM 912 CA GLU A 56 -3.642 -1.169 4.384 1.00 0.00 C ATOM 913 C GLU A 56 -5.057 -0.667 4.657 1.00 0.00 C ATOM 914 O GLU A 56 -5.855 -1.348 5.300 1.00 0.00 O ATOM 915 CB GLU A 56 -3.641 -2.084 3.157 1.00 0.00 C ATOM 916 CG GLU A 56 -2.253 -2.528 2.729 1.00 0.00 C ATOM 917 CD GLU A 56 -2.204 -2.976 1.281 1.00 0.00 C ATOM 918 OE1 GLU A 56 -3.213 -3.528 0.796 1.00 0.00 O ATOM 919 OE2 GLU A 56 -1.155 -2.774 0.633 1.00 0.00 O ATOM 0 H GLU A 56 -3.605 -2.734 5.779 1.00 0.00 H new ATOM 0 HA GLU A 56 -3.002 -0.309 4.188 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -4.245 -2.966 3.371 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.119 -1.564 2.327 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -1.552 -1.706 2.875 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -1.924 -3.346 3.370 1.00 0.00 H new ATOM 926 N ARG A 57 -5.359 0.529 4.164 1.00 0.00 N ATOM 927 CA ARG A 57 -6.676 1.124 4.356 1.00 0.00 C ATOM 928 C ARG A 57 -6.871 2.323 3.432 1.00 0.00 C ATOM 929 O ARG A 57 -5.903 2.935 2.982 1.00 0.00 O ATOM 930 CB ARG A 57 -6.857 1.555 5.812 1.00 0.00 C ATOM 931 CG ARG A 57 -5.869 2.620 6.260 1.00 0.00 C ATOM 932 CD ARG A 57 -6.449 3.490 7.364 1.00 0.00 C ATOM 933 NE ARG A 57 -6.537 2.775 8.635 1.00 0.00 N ATOM 934 CZ ARG A 57 -7.080 3.290 9.732 1.00 0.00 C ATOM 935 NH1 ARG A 57 -7.581 4.517 9.714 1.00 0.00 N ATOM 936 NH2 ARG A 57 -7.122 2.577 10.850 1.00 0.00 N ATOM 0 H ARG A 57 -4.710 1.105 3.629 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.426 0.372 4.111 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -7.871 1.932 5.947 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -6.754 0.682 6.456 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -4.955 2.144 6.613 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -5.595 3.244 5.410 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -5.829 4.378 7.490 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -7.441 3.833 7.072 1.00 0.00 H new ATOM 0 HE ARG A 57 -6.161 1.828 8.682 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -7.550 5.068 8.856 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -7.998 4.910 10.558 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -6.737 1.633 10.867 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -7.539 2.973 11.692 1.00 0.00 H new ATOM 950 N GLN A 58 -8.129 2.649 3.153 1.00 0.00 N ATOM 951 CA GLN A 58 -8.451 3.773 2.281 1.00 0.00 C ATOM 952 C GLN A 58 -8.951 4.964 3.091 1.00 0.00 C ATOM 953 O GLN A 58 -9.576 4.797 4.138 1.00 0.00 O ATOM 954 CB GLN A 58 -9.504 3.363 1.251 1.00 0.00 C ATOM 955 CG GLN A 58 -10.890 3.164 1.845 1.00 0.00 C ATOM 956 CD GLN A 58 -11.925 4.087 1.232 1.00 0.00 C ATOM 957 OE1 GLN A 58 -11.944 4.159 -0.093 1.00 0.00 O flip ATOM 958 NE2 GLN A 58 -12.699 4.729 1.943 1.00 0.00 N flip ATOM 0 H GLN A 58 -8.941 2.151 3.518 1.00 0.00 H new ATOM 0 HA GLN A 58 -7.540 4.068 1.760 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -9.557 4.126 0.474 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -9.188 2.438 0.769 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -11.199 2.129 1.698 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -10.848 3.335 2.921 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -12.649 4.643 2.958 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -13.390 5.346 1.517 1.00 0.00 H new ATOM 967 N GLY A 59 -8.672 6.168 2.600 1.00 0.00 N ATOM 968 CA GLY A 59 -9.101 7.370 3.292 1.00 0.00 C ATOM 969 C GLY A 59 -9.587 8.444 2.340 1.00 0.00 C ATOM 970 O GLY A 59 -9.205 8.466 1.169 1.00 0.00 O ATOM 0 H GLY A 59 -8.157 6.332 1.735 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -9.900 7.118 3.990 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -8.273 7.760 3.883 1.00 0.00 H new ATOM 974 N PHE A 60 -10.433 9.338 2.841 1.00 0.00 N ATOM 975 CA PHE A 60 -10.974 10.420 2.026 1.00 0.00 C ATOM 976 C PHE A 60 -10.101 11.667 2.128 1.00 0.00 C ATOM 977 O PHE A 60 -9.726 12.088 3.222 1.00 0.00 O ATOM 978 CB PHE A 60 -12.404 10.747 2.460 1.00 0.00 C ATOM 979 CG PHE A 60 -13.238 9.531 2.745 1.00 0.00 C ATOM 980 CD1 PHE A 60 -13.221 8.940 3.998 1.00 0.00 C ATOM 981 CD2 PHE A 60 -14.039 8.978 1.758 1.00 0.00 C ATOM 982 CE1 PHE A 60 -13.987 7.821 4.263 1.00 0.00 C ATOM 983 CE2 PHE A 60 -14.807 7.859 2.018 1.00 0.00 C ATOM 984 CZ PHE A 60 -14.781 7.279 3.271 1.00 0.00 C ATOM 0 H PHE A 60 -10.759 9.335 3.808 1.00 0.00 H new ATOM 0 HA PHE A 60 -10.984 10.090 0.987 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -12.370 11.372 3.353 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -12.887 11.334 1.679 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -12.601 9.359 4.777 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -14.063 9.426 0.776 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -13.965 7.371 5.244 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -15.428 7.438 1.241 1.00 0.00 H new ATOM 0 HZ PHE A 60 -15.380 6.404 3.475 1.00 0.00 H new ATOM 994 N VAL A 61 -9.780 12.253 0.979 1.00 0.00 N ATOM 995 CA VAL A 61 -8.952 13.452 0.937 1.00 0.00 C ATOM 996 C VAL A 61 -9.390 14.384 -0.187 1.00 0.00 C ATOM 997 O VAL A 61 -9.996 13.965 -1.173 1.00 0.00 O ATOM 998 CB VAL A 61 -7.464 13.101 0.747 1.00 0.00 C ATOM 999 CG1 VAL A 61 -6.861 12.606 2.053 1.00 0.00 C ATOM 1000 CG2 VAL A 61 -7.299 12.063 -0.353 1.00 0.00 C ATOM 0 H VAL A 61 -10.081 11.916 0.064 1.00 0.00 H new ATOM 0 HA VAL A 61 -9.079 13.957 1.894 1.00 0.00 H new ATOM 0 HB VAL A 61 -6.931 14.003 0.448 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -5.810 12.363 1.899 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -6.946 13.384 2.811 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -7.394 11.715 2.386 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -6.242 11.826 -0.474 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -7.845 11.159 -0.085 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -7.692 12.459 -1.289 1.00 0.00 H new ATOM 1010 N PRO A 62 -9.077 15.680 -0.037 1.00 0.00 N ATOM 1011 CA PRO A 62 -9.429 16.699 -1.030 1.00 0.00 C ATOM 1012 C PRO A 62 -8.627 16.553 -2.319 1.00 0.00 C ATOM 1013 O PRO A 62 -7.411 16.743 -2.329 1.00 0.00 O ATOM 1014 CB PRO A 62 -9.079 18.014 -0.328 1.00 0.00 C ATOM 1015 CG PRO A 62 -8.029 17.646 0.663 1.00 0.00 C ATOM 1016 CD PRO A 62 -8.356 16.249 1.113 1.00 0.00 C ATOM 0 HA PRO A 62 -10.473 16.628 -1.335 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -8.712 18.756 -1.037 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -9.952 18.446 0.162 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -7.037 17.689 0.214 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -8.028 18.337 1.506 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -7.455 15.680 1.344 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -8.972 16.250 2.013 1.00 0.00 H new ATOM 1024 N ALA A 63 -9.316 16.216 -3.404 1.00 0.00 N ATOM 1025 CA ALA A 63 -8.667 16.048 -4.699 1.00 0.00 C ATOM 1026 C ALA A 63 -8.004 17.343 -5.153 1.00 0.00 C ATOM 1027 O ALA A 63 -7.004 17.322 -5.870 1.00 0.00 O ATOM 1028 CB ALA A 63 -9.675 15.576 -5.736 1.00 0.00 C ATOM 0 H ALA A 63 -10.323 16.054 -3.412 1.00 0.00 H new ATOM 0 HA ALA A 63 -7.890 15.291 -4.593 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -9.177 15.455 -6.698 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -10.099 14.622 -5.424 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -10.472 16.313 -5.830 1.00 0.00 H new ATOM 1034 N ALA A 64 -8.569 18.471 -4.733 1.00 0.00 N ATOM 1035 CA ALA A 64 -8.031 19.776 -5.096 1.00 0.00 C ATOM 1036 C ALA A 64 -6.636 19.976 -4.514 1.00 0.00 C ATOM 1037 O ALA A 64 -5.905 20.877 -4.926 1.00 0.00 O ATOM 1038 CB ALA A 64 -8.965 20.881 -4.625 1.00 0.00 C ATOM 0 H ALA A 64 -9.399 18.507 -4.141 1.00 0.00 H new ATOM 0 HA ALA A 64 -7.952 19.820 -6.182 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -8.551 21.850 -4.903 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -9.942 20.756 -5.093 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -9.073 20.829 -3.542 1.00 0.00 H new ATOM 1044 N TYR A 65 -6.273 19.132 -3.555 1.00 0.00 N ATOM 1045 CA TYR A 65 -4.966 19.218 -2.914 1.00 0.00 C ATOM 1046 C TYR A 65 -4.010 18.176 -3.485 1.00 0.00 C ATOM 1047 O TYR A 65 -2.820 18.170 -3.169 1.00 0.00 O ATOM 1048 CB TYR A 65 -5.103 19.028 -1.403 1.00 0.00 C ATOM 1049 CG TYR A 65 -5.685 20.229 -0.691 1.00 0.00 C ATOM 1050 CD1 TYR A 65 -6.959 20.691 -0.997 1.00 0.00 C ATOM 1051 CD2 TYR A 65 -4.961 20.900 0.287 1.00 0.00 C ATOM 1052 CE1 TYR A 65 -7.494 21.788 -0.350 1.00 0.00 C ATOM 1053 CE2 TYR A 65 -5.489 21.996 0.940 1.00 0.00 C ATOM 1054 CZ TYR A 65 -6.756 22.437 0.618 1.00 0.00 C ATOM 1055 OH TYR A 65 -7.286 23.529 1.265 1.00 0.00 O ATOM 0 H TYR A 65 -6.866 18.380 -3.204 1.00 0.00 H new ATOM 0 HA TYR A 65 -4.556 20.208 -3.113 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -5.735 18.161 -1.210 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -4.122 18.807 -0.983 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -7.541 20.184 -1.753 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -3.968 20.558 0.541 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -8.485 22.136 -0.601 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -4.913 22.505 1.699 1.00 0.00 H new ATOM 0 HH TYR A 65 -6.639 23.869 1.918 1.00 0.00 H new ATOM 1065 N VAL A 66 -4.539 17.296 -4.329 1.00 0.00 N ATOM 1066 CA VAL A 66 -3.733 16.249 -4.947 1.00 0.00 C ATOM 1067 C VAL A 66 -3.958 16.200 -6.454 1.00 0.00 C ATOM 1068 O VAL A 66 -4.693 17.016 -7.010 1.00 0.00 O ATOM 1069 CB VAL A 66 -4.052 14.867 -4.346 1.00 0.00 C ATOM 1070 CG1 VAL A 66 -3.882 14.890 -2.834 1.00 0.00 C ATOM 1071 CG2 VAL A 66 -5.459 14.433 -4.726 1.00 0.00 C ATOM 0 H VAL A 66 -5.522 17.287 -4.601 1.00 0.00 H new ATOM 0 HA VAL A 66 -2.690 16.492 -4.746 1.00 0.00 H new ATOM 0 HB VAL A 66 -3.350 14.141 -4.755 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -4.112 13.905 -2.427 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -2.854 15.154 -2.587 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -4.559 15.628 -2.403 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -5.667 13.455 -4.293 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -6.179 15.159 -4.347 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -5.541 14.374 -5.811 1.00 0.00 H new ATOM 1081 N LYS A 67 -3.321 15.236 -7.110 1.00 0.00 N ATOM 1082 CA LYS A 67 -3.451 15.078 -8.554 1.00 0.00 C ATOM 1083 C LYS A 67 -3.003 13.687 -8.991 1.00 0.00 C ATOM 1084 O LYS A 67 -2.380 12.954 -8.222 1.00 0.00 O ATOM 1085 CB LYS A 67 -2.628 16.143 -9.281 1.00 0.00 C ATOM 1086 CG LYS A 67 -1.134 16.032 -9.032 1.00 0.00 C ATOM 1087 CD LYS A 67 -0.336 16.308 -10.295 1.00 0.00 C ATOM 1088 CE LYS A 67 -0.582 17.716 -10.814 1.00 0.00 C ATOM 1089 NZ LYS A 67 -1.630 17.742 -11.872 1.00 0.00 N ATOM 0 H LYS A 67 -2.709 14.552 -6.665 1.00 0.00 H new ATOM 0 HA LYS A 67 -4.502 15.201 -8.815 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -2.816 16.067 -10.352 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -2.968 17.130 -8.967 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -0.841 16.737 -8.254 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -0.899 15.034 -8.663 1.00 0.00 H new ATOM 0 HD2 LYS A 67 0.727 16.175 -10.092 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -0.607 15.584 -11.063 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -0.884 18.360 -9.988 1.00 0.00 H new ATOM 0 HE3 LYS A 67 0.347 18.124 -11.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -1.438 18.523 -12.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -1.622 16.841 -12.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -2.563 17.880 -11.433 1.00 0.00 H new ATOM 1103 N LYS A 68 -3.322 13.330 -10.230 1.00 0.00 N ATOM 1104 CA LYS A 68 -2.950 12.028 -10.771 1.00 0.00 C ATOM 1105 C LYS A 68 -1.458 11.974 -11.083 1.00 0.00 C ATOM 1106 O LYS A 68 -0.911 12.884 -11.708 1.00 0.00 O ATOM 1107 CB LYS A 68 -3.757 11.729 -12.037 1.00 0.00 C ATOM 1108 CG LYS A 68 -5.032 10.947 -11.775 1.00 0.00 C ATOM 1109 CD LYS A 68 -6.017 11.085 -12.923 1.00 0.00 C ATOM 1110 CE LYS A 68 -5.650 10.174 -14.085 1.00 0.00 C ATOM 1111 NZ LYS A 68 -6.302 10.603 -15.353 1.00 0.00 N ATOM 0 H LYS A 68 -3.838 13.924 -10.879 1.00 0.00 H new ATOM 0 HA LYS A 68 -3.173 11.273 -10.018 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -4.012 12.669 -12.526 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -3.132 11.167 -12.732 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -4.790 9.895 -11.626 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -5.494 11.301 -10.853 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -7.021 10.844 -12.573 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -6.038 12.120 -13.263 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -4.568 10.171 -14.216 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -5.946 9.151 -13.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -6.027 9.957 -16.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -7.335 10.582 -15.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -6.000 11.570 -15.589 1.00 0.00 H new ATOM 1125 N LEU A 69 -0.804 10.904 -10.645 1.00 0.00 N ATOM 1126 CA LEU A 69 0.625 10.731 -10.879 1.00 0.00 C ATOM 1127 C LEU A 69 0.887 10.203 -12.286 1.00 0.00 C ATOM 1128 O LEU A 69 1.955 10.428 -12.855 1.00 0.00 O ATOM 1129 CB LEU A 69 1.219 9.774 -9.844 1.00 0.00 C ATOM 1130 CG LEU A 69 2.745 9.682 -9.813 1.00 0.00 C ATOM 1131 CD1 LEU A 69 3.322 10.704 -8.846 1.00 0.00 C ATOM 1132 CD2 LEU A 69 3.187 8.276 -9.433 1.00 0.00 C ATOM 0 H LEU A 69 -1.241 10.143 -10.126 1.00 0.00 H new ATOM 0 HA LEU A 69 1.104 11.705 -10.782 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.873 10.079 -8.856 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.819 8.777 -10.028 1.00 0.00 H new ATOM 0 HG LEU A 69 3.123 9.903 -10.811 1.00 0.00 H new ATOM 0 HD11 LEU A 69 4.409 10.624 -8.837 1.00 0.00 H new ATOM 0 HD12 LEU A 69 3.035 11.707 -9.162 1.00 0.00 H new ATOM 0 HD13 LEU A 69 2.936 10.515 -7.844 1.00 0.00 H new ATOM 0 HD21 LEU A 69 4.276 8.229 -9.416 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.798 8.026 -8.446 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.805 7.564 -10.165 1.00 0.00 H new ATOM 1144 N ASP A 70 -0.095 9.503 -12.842 1.00 0.00 N ATOM 1145 CA ASP A 70 0.027 8.946 -14.184 1.00 0.00 C ATOM 1146 C ASP A 70 -0.731 9.798 -15.197 1.00 0.00 C ATOM 1147 O ASP A 70 -0.502 9.696 -16.403 1.00 0.00 O ATOM 1148 CB ASP A 70 -0.497 7.510 -14.213 1.00 0.00 C ATOM 1149 CG ASP A 70 0.511 6.514 -13.675 1.00 0.00 C ATOM 1150 OD1 ASP A 70 1.472 6.947 -13.005 1.00 0.00 O ATOM 1151 OD2 ASP A 70 0.340 5.302 -13.923 1.00 0.00 O ATOM 0 H ASP A 70 -0.985 9.308 -12.384 1.00 0.00 H new ATOM 0 HA ASP A 70 1.083 8.944 -14.455 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -1.413 7.449 -13.625 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -0.757 7.242 -15.237 1.00 0.00 H new TER 1156 ASP A 70