USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 607 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 Set 1.1: A 83 SER OG : rot -132:sc= 0.238 USER MOD Set 1.2: A 85 THR OG1 : rot 180:sc= 0.0579 USER MOD Set 2.1: A 64 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 65 ASN : amide:sc= -0.0236 K(o=-0.024,f=-1.6!) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= -0.0152 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.00775 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot -80:sc= 1.17 USER MOD Single : A 25 SER OG : rot 170:sc= 0.0887 USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.332 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 ASN : amide:sc= -1.28 X(o=-1.3,f=-1.6) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 90:sc= 1.28 USER MOD Single : A 58 SER OG : rot -52:sc= 0.0441 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= -0.662 K(o=-0.66,f=-3.2!) USER MOD Single : A 66 ASN : amide:sc= -1.59 K(o=-1.6,f=-2.5) USER MOD Single : A 73 LYS NZ :NH3+ 169:sc= -0.0172 (180deg=-0.177) USER MOD Single : A 77 ASN : amide:sc= -0.0642 K(o=-0.064,f=-1.4!) USER MOD Single : A 80 TYR OH : rot 180:sc= -0.0177 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0.0231 USER MOD Single : A 86 THR OG1 : rot 160:sc= -0.101 USER MOD Single : A 87 ASN : amide:sc= -0.478 K(o=-0.48,f=-3.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 1.329 0.000 0.000 1.00 0.00 N ATOM 2 CA ALA A 1 2.093 -0.001 -1.241 1.00 0.00 C ATOM 3 C ALA A 1 2.823 1.323 -1.438 1.00 0.00 C ATOM 4 O ALA A 1 2.196 2.370 -1.599 1.00 0.00 O ATOM 5 CB ALA A 1 1.178 -0.282 -2.424 1.00 0.00 C ATOM 0 H1 ALA A 1 0.842 -0.913 0.109 1.00 0.00 H new ATOM 0 H2 ALA A 1 1.972 0.147 0.804 1.00 0.00 H new ATOM 0 H3 ALA A 1 0.626 0.766 -0.026 1.00 0.00 H new ATOM 0 HA ALA A 1 2.840 -0.792 -1.177 1.00 0.00 H new ATOM 0 HB1 ALA A 1 1.762 -0.280 -3.344 1.00 0.00 H new ATOM 0 HB2 ALA A 1 0.706 -1.256 -2.296 1.00 0.00 H new ATOM 0 HB3 ALA A 1 0.409 0.489 -2.480 1.00 0.00 H new ATOM 11 N ILE A 2 4.151 1.269 -1.422 1.00 0.00 N ATOM 12 CA ILE A 2 4.965 2.465 -1.599 1.00 0.00 C ATOM 13 C ILE A 2 4.974 2.914 -3.056 1.00 0.00 C ATOM 14 O ILE A 2 5.410 2.177 -3.940 1.00 0.00 O ATOM 15 CB ILE A 2 6.416 2.231 -1.137 1.00 0.00 C ATOM 16 CG1 ILE A 2 6.450 1.887 0.354 1.00 0.00 C ATOM 17 CG2 ILE A 2 7.267 3.460 -1.421 1.00 0.00 C ATOM 18 CD1 ILE A 2 6.254 0.414 0.638 1.00 0.00 C ATOM 0 H ILE A 2 4.685 0.410 -1.288 1.00 0.00 H new ATOM 0 HA ILE A 2 4.517 3.245 -0.984 1.00 0.00 H new ATOM 0 HB ILE A 2 6.828 1.390 -1.695 1.00 0.00 H new ATOM 0 HG12 ILE A 2 7.406 2.205 0.770 1.00 0.00 H new ATOM 0 HG13 ILE A 2 5.674 2.454 0.867 1.00 0.00 H new ATOM 0 HG21 ILE A 2 8.289 3.279 -1.089 1.00 0.00 H new ATOM 0 HG22 ILE A 2 7.264 3.665 -2.492 1.00 0.00 H new ATOM 0 HG23 ILE A 2 6.858 4.317 -0.886 1.00 0.00 H new ATOM 0 HD11 ILE A 2 6.290 0.243 1.714 1.00 0.00 H new ATOM 0 HD12 ILE A 2 5.286 0.095 0.252 1.00 0.00 H new ATOM 0 HD13 ILE A 2 7.045 -0.158 0.153 1.00 0.00 H new ATOM 30 N SER A 3 4.491 4.128 -3.299 1.00 0.00 N ATOM 31 CA SER A 3 4.441 4.675 -4.649 1.00 0.00 C ATOM 32 C SER A 3 5.664 5.543 -4.930 1.00 0.00 C ATOM 33 O SER A 3 6.579 5.134 -5.645 1.00 0.00 O ATOM 34 CB SER A 3 3.164 5.496 -4.843 1.00 0.00 C ATOM 35 OG SER A 3 3.309 6.421 -5.907 1.00 0.00 O ATOM 0 H SER A 3 4.129 4.752 -2.578 1.00 0.00 H new ATOM 0 HA SER A 3 4.439 3.842 -5.352 1.00 0.00 H new ATOM 0 HB2 SER A 3 2.327 4.829 -5.048 1.00 0.00 H new ATOM 0 HB3 SER A 3 2.928 6.030 -3.923 1.00 0.00 H new ATOM 0 HG SER A 3 2.479 6.932 -6.012 1.00 0.00 H new ATOM 41 N CYS A 4 5.672 6.744 -4.361 1.00 0.00 N ATOM 42 CA CYS A 4 6.781 7.671 -4.548 1.00 0.00 C ATOM 43 C CYS A 4 6.586 8.930 -3.708 1.00 0.00 C ATOM 44 O CYS A 4 7.530 9.444 -3.112 1.00 0.00 O ATOM 45 CB CYS A 4 6.916 8.046 -6.026 1.00 0.00 C ATOM 46 SG CYS A 4 8.627 8.005 -6.650 1.00 0.00 S ATOM 0 H CYS A 4 4.922 7.098 -3.766 1.00 0.00 H new ATOM 0 HA CYS A 4 7.695 7.176 -4.221 1.00 0.00 H new ATOM 0 HB2 CYS A 4 6.308 7.364 -6.620 1.00 0.00 H new ATOM 0 HB3 CYS A 4 6.510 9.047 -6.174 1.00 0.00 H new ATOM 51 N GLY A 5 5.351 9.421 -3.667 1.00 0.00 N ATOM 52 CA GLY A 5 5.053 10.615 -2.898 1.00 0.00 C ATOM 53 C GLY A 5 5.466 10.488 -1.446 1.00 0.00 C ATOM 54 O GLY A 5 5.945 11.448 -0.843 1.00 0.00 O ATOM 0 H GLY A 5 4.552 9.013 -4.152 1.00 0.00 H new ATOM 0 HA2 GLY A 5 5.564 11.468 -3.345 1.00 0.00 H new ATOM 0 HA3 GLY A 5 3.984 10.820 -2.952 1.00 0.00 H new ATOM 58 N ALA A 6 5.279 9.299 -0.881 1.00 0.00 N ATOM 59 CA ALA A 6 5.637 9.049 0.510 1.00 0.00 C ATOM 60 C ALA A 6 7.150 9.008 0.689 1.00 0.00 C ATOM 61 O ALA A 6 7.669 9.333 1.757 1.00 0.00 O ATOM 62 CB ALA A 6 5.010 7.749 0.990 1.00 0.00 C ATOM 0 H ALA A 6 4.882 8.494 -1.365 1.00 0.00 H new ATOM 0 HA ALA A 6 5.250 9.870 1.113 1.00 0.00 H new ATOM 0 HB1 ALA A 6 5.285 7.574 2.030 1.00 0.00 H new ATOM 0 HB2 ALA A 6 3.925 7.816 0.908 1.00 0.00 H new ATOM 0 HB3 ALA A 6 5.370 6.923 0.376 1.00 0.00 H new ATOM 68 N VAL A 7 7.855 8.604 -0.364 1.00 0.00 N ATOM 69 CA VAL A 7 9.310 8.521 -0.323 1.00 0.00 C ATOM 70 C VAL A 7 9.943 9.906 -0.392 1.00 0.00 C ATOM 71 O VAL A 7 10.909 10.196 0.314 1.00 0.00 O ATOM 72 CB VAL A 7 9.855 7.661 -1.479 1.00 0.00 C ATOM 73 CG1 VAL A 7 11.361 7.488 -1.352 1.00 0.00 C ATOM 74 CG2 VAL A 7 9.157 6.310 -1.513 1.00 0.00 C ATOM 0 H VAL A 7 7.442 8.329 -1.255 1.00 0.00 H new ATOM 0 HA VAL A 7 9.573 8.052 0.625 1.00 0.00 H new ATOM 0 HB VAL A 7 9.650 8.174 -2.418 1.00 0.00 H new ATOM 0 HG11 VAL A 7 11.728 6.878 -2.177 1.00 0.00 H new ATOM 0 HG12 VAL A 7 11.843 8.465 -1.381 1.00 0.00 H new ATOM 0 HG13 VAL A 7 11.592 6.997 -0.407 1.00 0.00 H new ATOM 0 HG21 VAL A 7 9.554 5.716 -2.336 1.00 0.00 H new ATOM 0 HG22 VAL A 7 9.329 5.788 -0.572 1.00 0.00 H new ATOM 0 HG23 VAL A 7 8.086 6.457 -1.656 1.00 0.00 H new ATOM 84 N THR A 8 9.390 10.761 -1.248 1.00 0.00 N ATOM 85 CA THR A 8 9.900 12.116 -1.411 1.00 0.00 C ATOM 86 C THR A 8 9.652 12.951 -0.159 1.00 0.00 C ATOM 87 O THR A 8 10.313 13.965 0.063 1.00 0.00 O ATOM 88 CB THR A 8 9.254 12.818 -2.619 1.00 0.00 C ATOM 89 OG1 THR A 8 9.044 11.877 -3.678 1.00 0.00 O ATOM 90 CG2 THR A 8 10.129 13.960 -3.114 1.00 0.00 C ATOM 0 H THR A 8 8.589 10.538 -1.839 1.00 0.00 H new ATOM 0 HA THR A 8 10.973 12.031 -1.581 1.00 0.00 H new ATOM 0 HB THR A 8 8.295 13.228 -2.302 1.00 0.00 H new ATOM 0 HG1 THR A 8 8.631 12.331 -4.442 1.00 0.00 H new ATOM 0 HG21 THR A 8 9.651 14.441 -3.968 1.00 0.00 H new ATOM 0 HG22 THR A 8 10.262 14.689 -2.315 1.00 0.00 H new ATOM 0 HG23 THR A 8 11.101 13.570 -3.414 1.00 0.00 H new ATOM 98 N SER A 9 8.695 12.517 0.655 1.00 0.00 N ATOM 99 CA SER A 9 8.357 13.227 1.883 1.00 0.00 C ATOM 100 C SER A 9 9.532 13.218 2.857 1.00 0.00 C ATOM 101 O SER A 9 9.952 14.265 3.350 1.00 0.00 O ATOM 102 CB SER A 9 7.130 12.595 2.542 1.00 0.00 C ATOM 103 OG SER A 9 6.382 13.560 3.261 1.00 0.00 O ATOM 0 H SER A 9 8.140 11.678 0.486 1.00 0.00 H new ATOM 0 HA SER A 9 8.129 14.261 1.624 1.00 0.00 H new ATOM 0 HB2 SER A 9 6.500 12.136 1.780 1.00 0.00 H new ATOM 0 HB3 SER A 9 7.445 11.799 3.216 1.00 0.00 H new ATOM 0 HG SER A 9 5.602 13.131 3.671 1.00 0.00 H new ATOM 109 N ASP A 10 10.058 12.029 3.129 1.00 0.00 N ATOM 110 CA ASP A 10 11.185 11.881 4.042 1.00 0.00 C ATOM 111 C ASP A 10 12.483 12.332 3.380 1.00 0.00 C ATOM 112 O ASP A 10 13.461 12.648 4.059 1.00 0.00 O ATOM 113 CB ASP A 10 11.310 10.428 4.502 1.00 0.00 C ATOM 114 CG ASP A 10 9.961 9.766 4.701 1.00 0.00 C ATOM 115 OD1 ASP A 10 9.050 10.427 5.242 1.00 0.00 O ATOM 116 OD2 ASP A 10 9.816 8.586 4.317 1.00 0.00 O ATOM 0 H ASP A 10 9.721 11.153 2.730 1.00 0.00 H new ATOM 0 HA ASP A 10 11.002 12.514 4.911 1.00 0.00 H new ATOM 0 HB2 ASP A 10 11.883 9.865 3.765 1.00 0.00 H new ATOM 0 HB3 ASP A 10 11.870 10.393 5.436 1.00 0.00 H new ATOM 121 N LEU A 11 12.486 12.359 2.052 1.00 0.00 N ATOM 122 CA LEU A 11 13.665 12.770 1.297 1.00 0.00 C ATOM 123 C LEU A 11 13.918 14.265 1.455 1.00 0.00 C ATOM 124 O LEU A 11 15.065 14.710 1.493 1.00 0.00 O ATOM 125 CB LEU A 11 13.493 12.423 -0.183 1.00 0.00 C ATOM 126 CG LEU A 11 13.712 10.957 -0.558 1.00 0.00 C ATOM 127 CD1 LEU A 11 13.137 10.668 -1.936 1.00 0.00 C ATOM 128 CD2 LEU A 11 15.193 10.610 -0.513 1.00 0.00 C ATOM 0 H LEU A 11 11.685 12.101 1.475 1.00 0.00 H new ATOM 0 HA LEU A 11 14.526 12.231 1.692 1.00 0.00 H new ATOM 0 HB2 LEU A 11 12.486 12.709 -0.488 1.00 0.00 H new ATOM 0 HB3 LEU A 11 14.187 13.033 -0.762 1.00 0.00 H new ATOM 0 HG LEU A 11 13.191 10.334 0.169 1.00 0.00 H new ATOM 0 HD11 LEU A 11 13.302 9.620 -2.187 1.00 0.00 H new ATOM 0 HD12 LEU A 11 12.067 10.877 -1.935 1.00 0.00 H new ATOM 0 HD13 LEU A 11 13.629 11.300 -2.675 1.00 0.00 H new ATOM 0 HD21 LEU A 11 15.330 9.563 -0.783 1.00 0.00 H new ATOM 0 HD22 LEU A 11 15.736 11.240 -1.218 1.00 0.00 H new ATOM 0 HD23 LEU A 11 15.576 10.778 0.494 1.00 0.00 H new ATOM 140 N SER A 12 12.839 15.036 1.549 1.00 0.00 N ATOM 141 CA SER A 12 12.944 16.483 1.701 1.00 0.00 C ATOM 142 C SER A 12 13.832 16.841 2.889 1.00 0.00 C ATOM 143 O SER A 12 14.839 17.537 2.757 1.00 0.00 O ATOM 144 CB SER A 12 11.556 17.100 1.883 1.00 0.00 C ATOM 145 OG SER A 12 11.618 18.268 2.683 1.00 0.00 O ATOM 0 H SER A 12 11.882 14.683 1.523 1.00 0.00 H new ATOM 0 HA SER A 12 13.397 16.887 0.796 1.00 0.00 H new ATOM 0 HB2 SER A 12 11.133 17.345 0.909 1.00 0.00 H new ATOM 0 HB3 SER A 12 10.889 16.373 2.347 1.00 0.00 H new ATOM 0 HG SER A 12 10.719 18.644 2.783 1.00 0.00 H new ATOM 151 N PRO A 13 13.451 16.354 4.080 1.00 0.00 N ATOM 152 CA PRO A 13 14.197 16.609 5.315 1.00 0.00 C ATOM 153 C PRO A 13 15.540 15.887 5.340 1.00 0.00 C ATOM 154 O PRO A 13 16.464 16.297 6.043 1.00 0.00 O ATOM 155 CB PRO A 13 13.275 16.060 6.407 1.00 0.00 C ATOM 156 CG PRO A 13 12.448 15.028 5.721 1.00 0.00 C ATOM 157 CD PRO A 13 12.261 15.517 4.311 1.00 0.00 C ATOM 0 HA PRO A 13 14.439 17.665 5.434 1.00 0.00 H new ATOM 0 HB2 PRO A 13 13.847 15.627 7.228 1.00 0.00 H new ATOM 0 HB3 PRO A 13 12.653 16.847 6.833 1.00 0.00 H new ATOM 0 HG2 PRO A 13 12.944 14.058 5.735 1.00 0.00 H new ATOM 0 HG3 PRO A 13 11.488 14.902 6.221 1.00 0.00 H new ATOM 0 HD2 PRO A 13 12.207 14.690 3.603 1.00 0.00 H new ATOM 0 HD3 PRO A 13 11.340 16.090 4.203 1.00 0.00 H new ATOM 165 N CYS A 14 15.642 14.810 4.568 1.00 0.00 N ATOM 166 CA CYS A 14 16.872 14.030 4.501 1.00 0.00 C ATOM 167 C CYS A 14 17.854 14.648 3.510 1.00 0.00 C ATOM 168 O CYS A 14 19.041 14.318 3.508 1.00 0.00 O ATOM 169 CB CYS A 14 16.564 12.587 4.099 1.00 0.00 C ATOM 170 SG CYS A 14 15.912 11.560 5.455 1.00 0.00 S ATOM 0 H CYS A 14 14.887 14.457 3.980 1.00 0.00 H new ATOM 0 HA CYS A 14 17.330 14.034 5.490 1.00 0.00 H new ATOM 0 HB2 CYS A 14 15.841 12.595 3.284 1.00 0.00 H new ATOM 0 HB3 CYS A 14 17.474 12.126 3.714 1.00 0.00 H new ATOM 175 N LEU A 15 17.352 15.544 2.668 1.00 0.00 N ATOM 176 CA LEU A 15 18.184 16.209 1.671 1.00 0.00 C ATOM 177 C LEU A 15 19.233 17.092 2.339 1.00 0.00 C ATOM 178 O LEU A 15 20.414 17.041 1.996 1.00 0.00 O ATOM 179 CB LEU A 15 17.316 17.048 0.732 1.00 0.00 C ATOM 180 CG LEU A 15 16.820 16.344 -0.532 1.00 0.00 C ATOM 181 CD1 LEU A 15 15.987 17.293 -1.379 1.00 0.00 C ATOM 182 CD2 LEU A 15 17.993 15.799 -1.334 1.00 0.00 C ATOM 0 H LEU A 15 16.372 15.827 2.656 1.00 0.00 H new ATOM 0 HA LEU A 15 18.698 15.442 1.092 1.00 0.00 H new ATOM 0 HB2 LEU A 15 16.449 17.402 1.290 1.00 0.00 H new ATOM 0 HB3 LEU A 15 17.885 17.929 0.434 1.00 0.00 H new ATOM 0 HG LEU A 15 16.189 15.506 -0.235 1.00 0.00 H new ATOM 0 HD11 LEU A 15 15.643 16.775 -2.274 1.00 0.00 H new ATOM 0 HD12 LEU A 15 15.126 17.634 -0.804 1.00 0.00 H new ATOM 0 HD13 LEU A 15 16.594 18.151 -1.667 1.00 0.00 H new ATOM 0 HD21 LEU A 15 17.621 15.301 -2.230 1.00 0.00 H new ATOM 0 HD22 LEU A 15 18.650 16.620 -1.621 1.00 0.00 H new ATOM 0 HD23 LEU A 15 18.549 15.085 -0.726 1.00 0.00 H new ATOM 194 N THR A 16 18.793 17.903 3.297 1.00 0.00 N ATOM 195 CA THR A 16 19.693 18.797 4.014 1.00 0.00 C ATOM 196 C THR A 16 20.914 18.047 4.535 1.00 0.00 C ATOM 197 O THR A 16 22.027 18.572 4.528 1.00 0.00 O ATOM 198 CB THR A 16 18.982 19.480 5.197 1.00 0.00 C ATOM 199 OG1 THR A 16 17.807 20.157 4.738 1.00 0.00 O ATOM 200 CG2 THR A 16 19.908 20.471 5.887 1.00 0.00 C ATOM 0 H THR A 16 17.819 17.958 3.594 1.00 0.00 H new ATOM 0 HA THR A 16 20.013 19.559 3.303 1.00 0.00 H new ATOM 0 HB THR A 16 18.700 18.710 5.915 1.00 0.00 H new ATOM 0 HG1 THR A 16 17.360 20.587 5.497 1.00 0.00 H new ATOM 0 HG21 THR A 16 19.383 20.941 6.719 1.00 0.00 H new ATOM 0 HG22 THR A 16 20.787 19.947 6.262 1.00 0.00 H new ATOM 0 HG23 THR A 16 20.218 21.236 5.175 1.00 0.00 H new ATOM 208 N TYR A 17 20.698 16.816 4.986 1.00 0.00 N ATOM 209 CA TYR A 17 21.781 15.994 5.512 1.00 0.00 C ATOM 210 C TYR A 17 22.502 15.257 4.387 1.00 0.00 C ATOM 211 O TYR A 17 23.725 15.112 4.406 1.00 0.00 O ATOM 212 CB TYR A 17 21.239 14.989 6.529 1.00 0.00 C ATOM 213 CG TYR A 17 22.311 14.134 7.167 1.00 0.00 C ATOM 214 CD1 TYR A 17 23.306 14.704 7.951 1.00 0.00 C ATOM 215 CD2 TYR A 17 22.328 12.756 6.986 1.00 0.00 C ATOM 216 CE1 TYR A 17 24.288 13.927 8.535 1.00 0.00 C ATOM 217 CE2 TYR A 17 23.305 11.971 7.567 1.00 0.00 C ATOM 218 CZ TYR A 17 24.283 12.561 8.340 1.00 0.00 C ATOM 219 OH TYR A 17 25.258 11.784 8.921 1.00 0.00 O ATOM 0 H TYR A 17 19.783 16.366 4.998 1.00 0.00 H new ATOM 0 HA TYR A 17 22.495 16.653 6.007 1.00 0.00 H new ATOM 0 HB2 TYR A 17 20.704 15.529 7.310 1.00 0.00 H new ATOM 0 HB3 TYR A 17 20.515 14.341 6.036 1.00 0.00 H new ATOM 0 HD1 TYR A 17 23.312 15.773 8.107 1.00 0.00 H new ATOM 0 HD2 TYR A 17 21.564 12.291 6.381 1.00 0.00 H new ATOM 0 HE1 TYR A 17 25.055 14.386 9.141 1.00 0.00 H new ATOM 0 HE2 TYR A 17 23.303 10.901 7.417 1.00 0.00 H new ATOM 0 HH TYR A 17 25.110 10.844 8.686 1.00 0.00 H new ATOM 229 N LEU A 18 21.735 14.793 3.406 1.00 0.00 N ATOM 230 CA LEU A 18 22.298 14.071 2.270 1.00 0.00 C ATOM 231 C LEU A 18 23.145 14.997 1.402 1.00 0.00 C ATOM 232 O LEU A 18 23.885 14.543 0.529 1.00 0.00 O ATOM 233 CB LEU A 18 21.181 13.448 1.432 1.00 0.00 C ATOM 234 CG LEU A 18 20.740 12.042 1.839 1.00 0.00 C ATOM 235 CD1 LEU A 18 19.594 11.566 0.961 1.00 0.00 C ATOM 236 CD2 LEU A 18 21.911 11.073 1.763 1.00 0.00 C ATOM 0 H LEU A 18 20.722 14.904 3.374 1.00 0.00 H new ATOM 0 HA LEU A 18 22.939 13.278 2.656 1.00 0.00 H new ATOM 0 HB2 LEU A 18 20.313 14.106 1.474 1.00 0.00 H new ATOM 0 HB3 LEU A 18 21.508 13.418 0.393 1.00 0.00 H new ATOM 0 HG LEU A 18 20.389 12.077 2.870 1.00 0.00 H new ATOM 0 HD11 LEU A 18 19.294 10.563 1.266 1.00 0.00 H new ATOM 0 HD12 LEU A 18 18.748 12.246 1.066 1.00 0.00 H new ATOM 0 HD13 LEU A 18 19.917 11.547 -0.080 1.00 0.00 H new ATOM 0 HD21 LEU A 18 21.579 10.077 2.056 1.00 0.00 H new ATOM 0 HD22 LEU A 18 22.292 11.043 0.742 1.00 0.00 H new ATOM 0 HD23 LEU A 18 22.702 11.404 2.436 1.00 0.00 H new ATOM 248 N THR A 19 23.033 16.298 1.650 1.00 0.00 N ATOM 249 CA THR A 19 23.789 17.288 0.893 1.00 0.00 C ATOM 250 C THR A 19 25.088 17.651 1.605 1.00 0.00 C ATOM 251 O THR A 19 25.965 18.293 1.028 1.00 0.00 O ATOM 252 CB THR A 19 22.966 18.570 0.667 1.00 0.00 C ATOM 253 OG1 THR A 19 22.226 18.893 1.850 1.00 0.00 O ATOM 254 CG2 THR A 19 22.010 18.400 -0.504 1.00 0.00 C ATOM 0 H THR A 19 22.426 16.691 2.369 1.00 0.00 H new ATOM 0 HA THR A 19 24.021 16.838 -0.072 1.00 0.00 H new ATOM 0 HB THR A 19 23.656 19.382 0.438 1.00 0.00 H new ATOM 0 HG1 THR A 19 21.421 18.336 1.894 1.00 0.00 H new ATOM 0 HG21 THR A 19 21.440 19.318 -0.644 1.00 0.00 H new ATOM 0 HG22 THR A 19 22.578 18.184 -1.409 1.00 0.00 H new ATOM 0 HG23 THR A 19 21.326 17.576 -0.299 1.00 0.00 H new ATOM 262 N GLY A 20 25.205 17.234 2.862 1.00 0.00 N ATOM 263 CA GLY A 20 26.400 17.524 3.631 1.00 0.00 C ATOM 264 C GLY A 20 26.129 18.454 4.797 1.00 0.00 C ATOM 265 O GLY A 20 27.033 18.781 5.564 1.00 0.00 O ATOM 0 H GLY A 20 24.493 16.700 3.361 1.00 0.00 H new ATOM 0 HA2 GLY A 20 26.823 16.591 4.005 1.00 0.00 H new ATOM 0 HA3 GLY A 20 27.148 17.974 2.978 1.00 0.00 H new ATOM 269 N GLY A 21 24.877 18.883 4.931 1.00 0.00 N ATOM 270 CA GLY A 21 24.512 19.779 6.013 1.00 0.00 C ATOM 271 C GLY A 21 24.423 19.068 7.348 1.00 0.00 C ATOM 272 O GLY A 21 24.843 17.920 7.494 1.00 0.00 O ATOM 0 H GLY A 21 24.110 18.626 4.310 1.00 0.00 H new ATOM 0 HA2 GLY A 21 25.247 20.581 6.080 1.00 0.00 H new ATOM 0 HA3 GLY A 21 23.552 20.244 5.788 1.00 0.00 H new ATOM 276 N PRO A 22 23.865 19.758 8.354 1.00 0.00 N ATOM 277 CA PRO A 22 23.711 19.205 9.703 1.00 0.00 C ATOM 278 C PRO A 22 22.669 18.093 9.758 1.00 0.00 C ATOM 279 O PRO A 22 21.612 18.188 9.136 1.00 0.00 O ATOM 280 CB PRO A 22 23.252 20.410 10.530 1.00 0.00 C ATOM 281 CG PRO A 22 22.598 21.317 9.546 1.00 0.00 C ATOM 282 CD PRO A 22 23.342 21.131 8.252 1.00 0.00 C ATOM 0 HA PRO A 22 24.633 18.749 10.064 1.00 0.00 H new ATOM 0 HB2 PRO A 22 22.557 20.110 11.315 1.00 0.00 H new ATOM 0 HB3 PRO A 22 24.095 20.898 11.020 1.00 0.00 H new ATOM 0 HG2 PRO A 22 21.543 21.069 9.428 1.00 0.00 H new ATOM 0 HG3 PRO A 22 22.647 22.354 9.879 1.00 0.00 H new ATOM 0 HD2 PRO A 22 22.685 21.248 7.390 1.00 0.00 H new ATOM 0 HD3 PRO A 22 24.145 21.860 8.142 1.00 0.00 H new ATOM 290 N GLY A 23 22.974 17.039 10.509 1.00 0.00 N ATOM 291 CA GLY A 23 22.053 15.924 10.631 1.00 0.00 C ATOM 292 C GLY A 23 22.726 14.671 11.156 1.00 0.00 C ATOM 293 O GLY A 23 23.847 14.709 11.663 1.00 0.00 O ATOM 0 H GLY A 23 23.842 16.937 11.035 1.00 0.00 H new ATOM 0 HA2 GLY A 23 21.238 16.202 11.299 1.00 0.00 H new ATOM 0 HA3 GLY A 23 21.610 15.714 9.657 1.00 0.00 H new ATOM 297 N PRO A 24 22.032 13.529 11.039 1.00 0.00 N ATOM 298 CA PRO A 24 20.697 13.472 10.438 1.00 0.00 C ATOM 299 C PRO A 24 19.639 14.139 11.311 1.00 0.00 C ATOM 300 O PRO A 24 19.598 13.928 12.523 1.00 0.00 O ATOM 301 CB PRO A 24 20.424 11.970 10.321 1.00 0.00 C ATOM 302 CG PRO A 24 21.268 11.349 11.380 1.00 0.00 C ATOM 303 CD PRO A 24 22.499 12.205 11.485 1.00 0.00 C ATOM 0 HA PRO A 24 20.656 14.002 9.486 1.00 0.00 H new ATOM 0 HB2 PRO A 24 19.368 11.746 10.474 1.00 0.00 H new ATOM 0 HB3 PRO A 24 20.689 11.595 9.333 1.00 0.00 H new ATOM 0 HG2 PRO A 24 20.736 11.312 12.331 1.00 0.00 H new ATOM 0 HG3 PRO A 24 21.528 10.323 11.120 1.00 0.00 H new ATOM 0 HD2 PRO A 24 22.881 12.236 12.505 1.00 0.00 H new ATOM 0 HD3 PRO A 24 23.305 11.829 10.854 1.00 0.00 H new ATOM 311 N SER A 25 18.785 14.944 10.687 1.00 0.00 N ATOM 312 CA SER A 25 17.729 15.645 11.408 1.00 0.00 C ATOM 313 C SER A 25 16.742 14.656 12.021 1.00 0.00 C ATOM 314 O SER A 25 16.705 13.477 11.669 1.00 0.00 O ATOM 315 CB SER A 25 16.992 16.603 10.471 1.00 0.00 C ATOM 316 OG SER A 25 17.029 16.137 9.133 1.00 0.00 O ATOM 0 H SER A 25 18.804 15.127 9.684 1.00 0.00 H new ATOM 0 HA SER A 25 18.190 16.218 12.212 1.00 0.00 H new ATOM 0 HB2 SER A 25 15.956 16.708 10.794 1.00 0.00 H new ATOM 0 HB3 SER A 25 17.445 17.593 10.527 1.00 0.00 H new ATOM 0 HG SER A 25 16.421 16.674 8.583 1.00 0.00 H new ATOM 322 N PRO A 26 15.923 15.146 12.963 1.00 0.00 N ATOM 323 CA PRO A 26 14.920 14.324 13.646 1.00 0.00 C ATOM 324 C PRO A 26 13.776 13.919 12.723 1.00 0.00 C ATOM 325 O PRO A 26 13.328 12.772 12.742 1.00 0.00 O ATOM 326 CB PRO A 26 14.409 15.241 14.761 1.00 0.00 C ATOM 327 CG PRO A 26 14.658 16.621 14.259 1.00 0.00 C ATOM 328 CD PRO A 26 15.912 16.542 13.433 1.00 0.00 C ATOM 0 HA PRO A 26 15.340 13.385 14.007 1.00 0.00 H new ATOM 0 HB2 PRO A 26 13.349 15.075 14.955 1.00 0.00 H new ATOM 0 HB3 PRO A 26 14.937 15.059 15.697 1.00 0.00 H new ATOM 0 HG2 PRO A 26 13.819 16.976 13.661 1.00 0.00 H new ATOM 0 HG3 PRO A 26 14.779 17.321 15.086 1.00 0.00 H new ATOM 0 HD2 PRO A 26 15.890 17.246 12.601 1.00 0.00 H new ATOM 0 HD3 PRO A 26 16.798 16.774 14.024 1.00 0.00 H new ATOM 336 N GLN A 27 13.308 14.866 11.917 1.00 0.00 N ATOM 337 CA GLN A 27 12.216 14.606 10.987 1.00 0.00 C ATOM 338 C GLN A 27 12.638 13.602 9.919 1.00 0.00 C ATOM 339 O GLN A 27 11.836 12.781 9.472 1.00 0.00 O ATOM 340 CB GLN A 27 11.759 15.909 10.327 1.00 0.00 C ATOM 341 CG GLN A 27 10.671 16.634 11.103 1.00 0.00 C ATOM 342 CD GLN A 27 10.684 18.131 10.865 1.00 0.00 C ATOM 343 OE1 GLN A 27 9.832 18.666 10.155 1.00 0.00 O ATOM 344 NE2 GLN A 27 11.653 18.816 11.460 1.00 0.00 N ATOM 0 H GLN A 27 13.668 15.820 11.889 1.00 0.00 H new ATOM 0 HA GLN A 27 11.385 14.182 11.551 1.00 0.00 H new ATOM 0 HB2 GLN A 27 12.618 16.571 10.216 1.00 0.00 H new ATOM 0 HB3 GLN A 27 11.394 15.690 9.324 1.00 0.00 H new ATOM 0 HG2 GLN A 27 9.698 16.233 10.818 1.00 0.00 H new ATOM 0 HG3 GLN A 27 10.797 16.438 12.168 1.00 0.00 H new ATOM 0 HE21 GLN A 27 12.338 18.331 12.040 1.00 0.00 H new ATOM 0 HE22 GLN A 27 11.712 19.827 11.337 1.00 0.00 H new ATOM 353 N CYS A 28 13.901 13.674 9.513 1.00 0.00 N ATOM 354 CA CYS A 28 14.430 12.772 8.496 1.00 0.00 C ATOM 355 C CYS A 28 14.433 11.331 8.996 1.00 0.00 C ATOM 356 O CYS A 28 13.938 10.427 8.323 1.00 0.00 O ATOM 357 CB CYS A 28 15.848 13.191 8.102 1.00 0.00 C ATOM 358 SG CYS A 28 16.764 11.924 7.167 1.00 0.00 S ATOM 0 H CYS A 28 14.578 14.347 9.872 1.00 0.00 H new ATOM 0 HA CYS A 28 13.784 12.832 7.620 1.00 0.00 H new ATOM 0 HB2 CYS A 28 15.794 14.101 7.504 1.00 0.00 H new ATOM 0 HB3 CYS A 28 16.407 13.436 9.005 1.00 0.00 H new ATOM 363 N CYS A 29 14.996 11.123 10.182 1.00 0.00 N ATOM 364 CA CYS A 29 15.065 9.793 10.774 1.00 0.00 C ATOM 365 C CYS A 29 13.686 9.140 10.809 1.00 0.00 C ATOM 366 O CYS A 29 13.513 8.004 10.369 1.00 0.00 O ATOM 367 CB CYS A 29 15.640 9.871 12.190 1.00 0.00 C ATOM 368 SG CYS A 29 17.428 10.214 12.248 1.00 0.00 S ATOM 0 H CYS A 29 15.411 11.860 10.752 1.00 0.00 H new ATOM 0 HA CYS A 29 15.722 9.181 10.155 1.00 0.00 H new ATOM 0 HB2 CYS A 29 15.113 10.649 12.742 1.00 0.00 H new ATOM 0 HB3 CYS A 29 15.445 8.929 12.702 1.00 0.00 H new ATOM 373 N GLY A 30 12.705 9.869 11.334 1.00 0.00 N ATOM 374 CA GLY A 30 11.354 9.345 11.417 1.00 0.00 C ATOM 375 C GLY A 30 10.840 8.856 10.078 1.00 0.00 C ATOM 376 O GLY A 30 10.272 7.768 9.983 1.00 0.00 O ATOM 0 H GLY A 30 12.822 10.813 11.703 1.00 0.00 H new ATOM 0 HA2 GLY A 30 11.329 8.525 12.134 1.00 0.00 H new ATOM 0 HA3 GLY A 30 10.689 10.121 11.797 1.00 0.00 H new ATOM 380 N GLY A 31 11.037 9.662 9.039 1.00 0.00 N ATOM 381 CA GLY A 31 10.581 9.288 7.713 1.00 0.00 C ATOM 382 C GLY A 31 11.342 8.104 7.150 1.00 0.00 C ATOM 383 O GLY A 31 10.757 7.225 6.518 1.00 0.00 O ATOM 0 H GLY A 31 11.504 10.567 9.092 1.00 0.00 H new ATOM 0 HA2 GLY A 31 9.519 9.048 7.752 1.00 0.00 H new ATOM 0 HA3 GLY A 31 10.691 10.139 7.041 1.00 0.00 H new ATOM 387 N VAL A 32 12.651 8.080 7.380 1.00 0.00 N ATOM 388 CA VAL A 32 13.493 6.995 6.891 1.00 0.00 C ATOM 389 C VAL A 32 12.981 5.643 7.373 1.00 0.00 C ATOM 390 O VAL A 32 12.680 4.759 6.571 1.00 0.00 O ATOM 391 CB VAL A 32 14.954 7.171 7.346 1.00 0.00 C ATOM 392 CG1 VAL A 32 15.807 6.008 6.862 1.00 0.00 C ATOM 393 CG2 VAL A 32 15.511 8.496 6.848 1.00 0.00 C ATOM 0 H VAL A 32 13.151 8.800 7.902 1.00 0.00 H new ATOM 0 HA VAL A 32 13.453 7.028 5.802 1.00 0.00 H new ATOM 0 HB VAL A 32 14.979 7.180 8.436 1.00 0.00 H new ATOM 0 HG11 VAL A 32 16.836 6.149 7.193 1.00 0.00 H new ATOM 0 HG12 VAL A 32 15.418 5.076 7.273 1.00 0.00 H new ATOM 0 HG13 VAL A 32 15.779 5.964 5.773 1.00 0.00 H new ATOM 0 HG21 VAL A 32 16.544 8.604 7.179 1.00 0.00 H new ATOM 0 HG22 VAL A 32 15.474 8.520 5.759 1.00 0.00 H new ATOM 0 HG23 VAL A 32 14.914 9.315 7.249 1.00 0.00 H new ATOM 403 N LYS A 33 12.885 5.487 8.689 1.00 0.00 N ATOM 404 CA LYS A 33 12.408 4.243 9.280 1.00 0.00 C ATOM 405 C LYS A 33 11.012 3.899 8.771 1.00 0.00 C ATOM 406 O LYS A 33 10.603 2.737 8.785 1.00 0.00 O ATOM 407 CB LYS A 33 12.393 4.352 10.806 1.00 0.00 C ATOM 408 CG LYS A 33 13.758 4.158 11.443 1.00 0.00 C ATOM 409 CD LYS A 33 13.737 4.502 12.923 1.00 0.00 C ATOM 410 CE LYS A 33 14.477 3.460 13.748 1.00 0.00 C ATOM 411 NZ LYS A 33 14.090 3.513 15.185 1.00 0.00 N ATOM 0 H LYS A 33 13.132 6.208 9.367 1.00 0.00 H new ATOM 0 HA LYS A 33 13.090 3.445 8.985 1.00 0.00 H new ATOM 0 HB2 LYS A 33 12.006 5.331 11.088 1.00 0.00 H new ATOM 0 HB3 LYS A 33 11.705 3.609 11.208 1.00 0.00 H new ATOM 0 HG2 LYS A 33 14.077 3.124 11.313 1.00 0.00 H new ATOM 0 HG3 LYS A 33 14.491 4.784 10.933 1.00 0.00 H new ATOM 0 HD2 LYS A 33 14.193 5.480 13.077 1.00 0.00 H new ATOM 0 HD3 LYS A 33 12.705 4.574 13.266 1.00 0.00 H new ATOM 0 HE2 LYS A 33 14.267 2.467 13.352 1.00 0.00 H new ATOM 0 HE3 LYS A 33 15.551 3.619 13.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 14.616 2.788 15.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 14.314 4.453 15.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 13.069 3.336 15.276 1.00 0.00 H new ATOM 425 N LYS A 34 10.284 4.915 8.320 1.00 0.00 N ATOM 426 CA LYS A 34 8.935 4.721 7.803 1.00 0.00 C ATOM 427 C LYS A 34 8.968 4.055 6.431 1.00 0.00 C ATOM 428 O LYS A 34 8.160 3.173 6.138 1.00 0.00 O ATOM 429 CB LYS A 34 8.203 6.062 7.713 1.00 0.00 C ATOM 430 CG LYS A 34 6.697 5.944 7.867 1.00 0.00 C ATOM 431 CD LYS A 34 6.135 7.067 8.723 1.00 0.00 C ATOM 432 CE LYS A 34 4.789 7.546 8.200 1.00 0.00 C ATOM 433 NZ LYS A 34 3.783 7.673 9.291 1.00 0.00 N ATOM 0 H LYS A 34 10.607 5.882 8.302 1.00 0.00 H new ATOM 0 HA LYS A 34 8.400 4.067 8.492 1.00 0.00 H new ATOM 0 HB2 LYS A 34 8.588 6.729 8.485 1.00 0.00 H new ATOM 0 HB3 LYS A 34 8.426 6.525 6.752 1.00 0.00 H new ATOM 0 HG2 LYS A 34 6.227 5.964 6.884 1.00 0.00 H new ATOM 0 HG3 LYS A 34 6.451 4.983 8.318 1.00 0.00 H new ATOM 0 HD2 LYS A 34 6.025 6.722 9.751 1.00 0.00 H new ATOM 0 HD3 LYS A 34 6.838 7.900 8.739 1.00 0.00 H new ATOM 0 HE2 LYS A 34 4.913 8.510 7.707 1.00 0.00 H new ATOM 0 HE3 LYS A 34 4.422 6.848 7.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 2.880 8.002 8.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 3.645 6.748 9.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 4.121 8.358 9.997 1.00 0.00 H new ATOM 447 N LEU A 35 9.908 4.481 5.594 1.00 0.00 N ATOM 448 CA LEU A 35 10.048 3.925 4.253 1.00 0.00 C ATOM 449 C LEU A 35 10.456 2.456 4.312 1.00 0.00 C ATOM 450 O LEU A 35 9.997 1.640 3.511 1.00 0.00 O ATOM 451 CB LEU A 35 11.081 4.721 3.454 1.00 0.00 C ATOM 452 CG LEU A 35 11.106 4.466 1.947 1.00 0.00 C ATOM 453 CD1 LEU A 35 11.764 5.628 1.220 1.00 0.00 C ATOM 454 CD2 LEU A 35 11.829 3.163 1.638 1.00 0.00 C ATOM 0 H LEU A 35 10.585 5.210 5.821 1.00 0.00 H new ATOM 0 HA LEU A 35 9.081 3.995 3.755 1.00 0.00 H new ATOM 0 HB2 LEU A 35 10.899 5.783 3.620 1.00 0.00 H new ATOM 0 HB3 LEU A 35 12.070 4.501 3.856 1.00 0.00 H new ATOM 0 HG LEU A 35 10.078 4.380 1.596 1.00 0.00 H new ATOM 0 HD11 LEU A 35 11.773 5.429 0.148 1.00 0.00 H new ATOM 0 HD12 LEU A 35 11.204 6.543 1.414 1.00 0.00 H new ATOM 0 HD13 LEU A 35 12.788 5.747 1.575 1.00 0.00 H new ATOM 0 HD21 LEU A 35 11.837 2.998 0.561 1.00 0.00 H new ATOM 0 HD22 LEU A 35 12.854 3.220 2.004 1.00 0.00 H new ATOM 0 HD23 LEU A 35 11.314 2.336 2.128 1.00 0.00 H new ATOM 466 N LEU A 36 11.318 2.125 5.267 1.00 0.00 N ATOM 467 CA LEU A 36 11.786 0.754 5.434 1.00 0.00 C ATOM 468 C LEU A 36 10.746 -0.093 6.161 1.00 0.00 C ATOM 469 O LEU A 36 10.597 -1.283 5.885 1.00 0.00 O ATOM 470 CB LEU A 36 13.106 0.735 6.206 1.00 0.00 C ATOM 471 CG LEU A 36 14.252 1.545 5.598 1.00 0.00 C ATOM 472 CD1 LEU A 36 15.392 1.688 6.594 1.00 0.00 C ATOM 473 CD2 LEU A 36 14.742 0.893 4.313 1.00 0.00 C ATOM 0 H LEU A 36 11.707 2.788 5.938 1.00 0.00 H new ATOM 0 HA LEU A 36 11.945 0.328 4.443 1.00 0.00 H new ATOM 0 HB2 LEU A 36 12.920 1.107 7.214 1.00 0.00 H new ATOM 0 HB3 LEU A 36 13.432 -0.301 6.304 1.00 0.00 H new ATOM 0 HG LEU A 36 13.880 2.541 5.358 1.00 0.00 H new ATOM 0 HD11 LEU A 36 16.198 2.267 6.144 1.00 0.00 H new ATOM 0 HD12 LEU A 36 15.033 2.199 7.487 1.00 0.00 H new ATOM 0 HD13 LEU A 36 15.763 0.700 6.866 1.00 0.00 H new ATOM 0 HD21 LEU A 36 15.557 1.483 3.894 1.00 0.00 H new ATOM 0 HD22 LEU A 36 15.096 -0.115 4.529 1.00 0.00 H new ATOM 0 HD23 LEU A 36 13.923 0.844 3.595 1.00 0.00 H new ATOM 485 N ALA A 37 10.028 0.530 7.089 1.00 0.00 N ATOM 486 CA ALA A 37 8.999 -0.164 7.853 1.00 0.00 C ATOM 487 C ALA A 37 7.752 -0.399 7.007 1.00 0.00 C ATOM 488 O ALA A 37 7.033 -1.378 7.203 1.00 0.00 O ATOM 489 CB ALA A 37 8.648 0.625 9.105 1.00 0.00 C ATOM 0 H ALA A 37 10.140 1.515 7.330 1.00 0.00 H new ATOM 0 HA ALA A 37 9.395 -1.136 8.149 1.00 0.00 H new ATOM 0 HB1 ALA A 37 7.878 0.095 9.666 1.00 0.00 H new ATOM 0 HB2 ALA A 37 9.537 0.737 9.726 1.00 0.00 H new ATOM 0 HB3 ALA A 37 8.277 1.610 8.822 1.00 0.00 H new ATOM 495 N ALA A 38 7.502 0.505 6.065 1.00 0.00 N ATOM 496 CA ALA A 38 6.343 0.395 5.189 1.00 0.00 C ATOM 497 C ALA A 38 6.580 -0.638 4.093 1.00 0.00 C ATOM 498 O ALA A 38 5.660 -1.003 3.361 1.00 0.00 O ATOM 499 CB ALA A 38 6.013 1.749 4.578 1.00 0.00 C ATOM 0 H ALA A 38 8.087 1.322 5.889 1.00 0.00 H new ATOM 0 HA ALA A 38 5.495 0.063 5.788 1.00 0.00 H new ATOM 0 HB1 ALA A 38 5.145 1.652 3.926 1.00 0.00 H new ATOM 0 HB2 ALA A 38 5.792 2.462 5.372 1.00 0.00 H new ATOM 0 HB3 ALA A 38 6.865 2.104 3.998 1.00 0.00 H new ATOM 505 N ALA A 39 7.819 -1.106 3.984 1.00 0.00 N ATOM 506 CA ALA A 39 8.176 -2.098 2.978 1.00 0.00 C ATOM 507 C ALA A 39 8.815 -3.325 3.620 1.00 0.00 C ATOM 508 O ALA A 39 10.038 -3.452 3.656 1.00 0.00 O ATOM 509 CB ALA A 39 9.114 -1.490 1.947 1.00 0.00 C ATOM 0 H ALA A 39 8.593 -0.814 4.581 1.00 0.00 H new ATOM 0 HA ALA A 39 7.262 -2.417 2.477 1.00 0.00 H new ATOM 0 HB1 ALA A 39 9.372 -2.242 1.202 1.00 0.00 H new ATOM 0 HB2 ALA A 39 8.622 -0.649 1.458 1.00 0.00 H new ATOM 0 HB3 ALA A 39 10.021 -1.142 2.441 1.00 0.00 H new ATOM 515 N ASN A 40 7.979 -4.226 4.126 1.00 0.00 N ATOM 516 CA ASN A 40 8.464 -5.443 4.767 1.00 0.00 C ATOM 517 C ASN A 40 8.837 -6.495 3.727 1.00 0.00 C ATOM 518 O ASN A 40 9.821 -7.218 3.885 1.00 0.00 O ATOM 519 CB ASN A 40 7.401 -6.002 5.716 1.00 0.00 C ATOM 520 CG ASN A 40 6.982 -4.997 6.772 1.00 0.00 C ATOM 521 OD1 ASN A 40 7.738 -4.088 7.114 1.00 0.00 O ATOM 522 ND2 ASN A 40 5.772 -5.158 7.294 1.00 0.00 N ATOM 0 H ASN A 40 6.963 -4.136 4.105 1.00 0.00 H new ATOM 0 HA ASN A 40 9.357 -5.192 5.339 1.00 0.00 H new ATOM 0 HB2 ASN A 40 6.527 -6.305 5.140 1.00 0.00 H new ATOM 0 HB3 ASN A 40 7.788 -6.897 6.203 1.00 0.00 H new ATOM 0 HD21 ASN A 40 5.435 -4.513 8.009 1.00 0.00 H new ATOM 0 HD22 ASN A 40 5.179 -5.926 6.980 1.00 0.00 H new ATOM 529 N THR A 41 8.045 -6.574 2.662 1.00 0.00 N ATOM 530 CA THR A 41 8.291 -7.536 1.597 1.00 0.00 C ATOM 531 C THR A 41 9.292 -6.991 0.584 1.00 0.00 C ATOM 532 O THR A 41 9.871 -5.923 0.780 1.00 0.00 O ATOM 533 CB THR A 41 6.988 -7.910 0.865 1.00 0.00 C ATOM 534 OG1 THR A 41 6.508 -6.787 0.116 1.00 0.00 O ATOM 535 CG2 THR A 41 5.923 -8.360 1.852 1.00 0.00 C ATOM 0 H THR A 41 7.227 -5.982 2.515 1.00 0.00 H new ATOM 0 HA THR A 41 8.704 -8.429 2.067 1.00 0.00 H new ATOM 0 HB THR A 41 7.202 -8.735 0.186 1.00 0.00 H new ATOM 0 HG1 THR A 41 5.681 -7.033 -0.348 1.00 0.00 H new ATOM 0 HG21 THR A 41 5.012 -8.619 1.312 1.00 0.00 H new ATOM 0 HG22 THR A 41 6.280 -9.232 2.400 1.00 0.00 H new ATOM 0 HG23 THR A 41 5.712 -7.552 2.553 1.00 0.00 H new ATOM 543 N THR A 42 9.490 -7.732 -0.503 1.00 0.00 N ATOM 544 CA THR A 42 10.421 -7.323 -1.547 1.00 0.00 C ATOM 545 C THR A 42 9.776 -6.321 -2.497 1.00 0.00 C ATOM 546 O THR A 42 10.332 -5.264 -2.795 1.00 0.00 O ATOM 547 CB THR A 42 10.923 -8.533 -2.357 1.00 0.00 C ATOM 548 OG1 THR A 42 10.893 -9.713 -1.546 1.00 0.00 O ATOM 549 CG2 THR A 42 12.337 -8.296 -2.864 1.00 0.00 C ATOM 0 H THR A 42 9.018 -8.618 -0.682 1.00 0.00 H new ATOM 0 HA THR A 42 11.268 -6.852 -1.049 1.00 0.00 H new ATOM 0 HB THR A 42 10.264 -8.666 -3.215 1.00 0.00 H new ATOM 0 HG1 THR A 42 11.212 -10.478 -2.069 1.00 0.00 H new ATOM 0 HG21 THR A 42 12.670 -9.164 -3.433 1.00 0.00 H new ATOM 0 HG22 THR A 42 12.351 -7.415 -3.505 1.00 0.00 H new ATOM 0 HG23 THR A 42 13.006 -8.139 -2.018 1.00 0.00 H new ATOM 557 N PRO A 43 8.573 -6.658 -2.986 1.00 0.00 N ATOM 558 CA PRO A 43 7.825 -5.800 -3.909 1.00 0.00 C ATOM 559 C PRO A 43 7.764 -4.352 -3.434 1.00 0.00 C ATOM 560 O PRO A 43 8.042 -3.426 -4.197 1.00 0.00 O ATOM 561 CB PRO A 43 6.426 -6.420 -3.916 1.00 0.00 C ATOM 562 CG PRO A 43 6.644 -7.850 -3.560 1.00 0.00 C ATOM 563 CD PRO A 43 7.850 -7.902 -2.674 1.00 0.00 C ATOM 0 HA PRO A 43 8.291 -5.757 -4.893 1.00 0.00 H new ATOM 0 HB2 PRO A 43 5.771 -5.928 -3.196 1.00 0.00 H new ATOM 0 HB3 PRO A 43 5.955 -6.323 -4.894 1.00 0.00 H new ATOM 0 HG2 PRO A 43 5.772 -8.257 -3.048 1.00 0.00 H new ATOM 0 HG3 PRO A 43 6.798 -8.451 -4.456 1.00 0.00 H new ATOM 0 HD2 PRO A 43 7.571 -7.948 -1.621 1.00 0.00 H new ATOM 0 HD3 PRO A 43 8.460 -8.781 -2.881 1.00 0.00 H new ATOM 571 N ASP A 44 7.399 -4.164 -2.171 1.00 0.00 N ATOM 572 CA ASP A 44 7.303 -2.828 -1.594 1.00 0.00 C ATOM 573 C ASP A 44 8.672 -2.157 -1.546 1.00 0.00 C ATOM 574 O ASP A 44 8.815 -0.989 -1.911 1.00 0.00 O ATOM 575 CB ASP A 44 6.706 -2.899 -0.187 1.00 0.00 C ATOM 576 CG ASP A 44 5.195 -2.784 -0.193 1.00 0.00 C ATOM 577 OD1 ASP A 44 4.560 -3.340 -1.114 1.00 0.00 O ATOM 578 OD2 ASP A 44 4.646 -2.139 0.725 1.00 0.00 O ATOM 0 H ASP A 44 7.165 -4.919 -1.527 1.00 0.00 H new ATOM 0 HA ASP A 44 6.648 -2.231 -2.229 1.00 0.00 H new ATOM 0 HB2 ASP A 44 6.994 -3.841 0.280 1.00 0.00 H new ATOM 0 HB3 ASP A 44 7.126 -2.100 0.423 1.00 0.00 H new ATOM 583 N ARG A 45 9.675 -2.902 -1.094 1.00 0.00 N ATOM 584 CA ARG A 45 11.032 -2.378 -0.996 1.00 0.00 C ATOM 585 C ARG A 45 11.576 -2.016 -2.375 1.00 0.00 C ATOM 586 O ARG A 45 12.438 -1.148 -2.504 1.00 0.00 O ATOM 587 CB ARG A 45 11.950 -3.402 -0.327 1.00 0.00 C ATOM 588 CG ARG A 45 11.864 -3.397 1.191 1.00 0.00 C ATOM 589 CD ARG A 45 13.008 -4.179 1.816 1.00 0.00 C ATOM 590 NE ARG A 45 12.541 -5.103 2.846 1.00 0.00 N ATOM 591 CZ ARG A 45 13.241 -6.152 3.265 1.00 0.00 C ATOM 592 NH1 ARG A 45 14.434 -6.407 2.745 1.00 0.00 N ATOM 593 NH2 ARG A 45 12.749 -6.946 4.207 1.00 0.00 N ATOM 0 H ARG A 45 9.574 -3.870 -0.790 1.00 0.00 H new ATOM 0 HA ARG A 45 11.002 -1.474 -0.387 1.00 0.00 H new ATOM 0 HB2 ARG A 45 11.698 -4.397 -0.693 1.00 0.00 H new ATOM 0 HB3 ARG A 45 12.980 -3.204 -0.625 1.00 0.00 H new ATOM 0 HG2 ARG A 45 11.883 -2.369 1.554 1.00 0.00 H new ATOM 0 HG3 ARG A 45 10.913 -3.828 1.504 1.00 0.00 H new ATOM 0 HD2 ARG A 45 13.533 -4.736 1.040 1.00 0.00 H new ATOM 0 HD3 ARG A 45 13.727 -3.485 2.251 1.00 0.00 H new ATOM 0 HE ARG A 45 11.627 -4.934 3.267 1.00 0.00 H new ATOM 0 HH11 ARG A 45 14.816 -5.797 2.022 1.00 0.00 H new ATOM 0 HH12 ARG A 45 14.970 -7.213 3.068 1.00 0.00 H new ATOM 0 HH21 ARG A 45 11.833 -6.752 4.610 1.00 0.00 H new ATOM 0 HH22 ARG A 45 13.287 -7.751 4.528 1.00 0.00 H new ATOM 607 N GLN A 46 11.065 -2.689 -3.402 1.00 0.00 N ATOM 608 CA GLN A 46 11.501 -2.439 -4.771 1.00 0.00 C ATOM 609 C GLN A 46 11.031 -1.069 -5.250 1.00 0.00 C ATOM 610 O GLN A 46 11.820 -0.276 -5.763 1.00 0.00 O ATOM 611 CB GLN A 46 10.970 -3.528 -5.704 1.00 0.00 C ATOM 612 CG GLN A 46 11.911 -4.712 -5.854 1.00 0.00 C ATOM 613 CD GLN A 46 12.409 -4.887 -7.275 1.00 0.00 C ATOM 614 OE1 GLN A 46 13.541 -4.526 -7.598 1.00 0.00 O ATOM 615 NE2 GLN A 46 11.563 -5.443 -8.135 1.00 0.00 N ATOM 0 H GLN A 46 10.350 -3.410 -3.312 1.00 0.00 H new ATOM 0 HA GLN A 46 12.591 -2.456 -4.788 1.00 0.00 H new ATOM 0 HB2 GLN A 46 10.011 -3.882 -5.326 1.00 0.00 H new ATOM 0 HB3 GLN A 46 10.785 -3.094 -6.687 1.00 0.00 H new ATOM 0 HG2 GLN A 46 12.764 -4.580 -5.188 1.00 0.00 H new ATOM 0 HG3 GLN A 46 11.398 -5.621 -5.539 1.00 0.00 H new ATOM 0 HE21 GLN A 46 10.634 -5.728 -7.825 1.00 0.00 H new ATOM 0 HE22 GLN A 46 11.842 -5.585 -9.106 1.00 0.00 H new ATOM 624 N ALA A 47 9.741 -0.798 -5.080 1.00 0.00 N ATOM 625 CA ALA A 47 9.167 0.476 -5.493 1.00 0.00 C ATOM 626 C ALA A 47 9.899 1.645 -4.843 1.00 0.00 C ATOM 627 O ALA A 47 10.370 2.553 -5.528 1.00 0.00 O ATOM 628 CB ALA A 47 7.685 0.523 -5.151 1.00 0.00 C ATOM 0 H ALA A 47 9.074 -1.444 -4.659 1.00 0.00 H new ATOM 0 HA ALA A 47 9.282 0.565 -6.573 1.00 0.00 H new ATOM 0 HB1 ALA A 47 7.269 1.480 -5.465 1.00 0.00 H new ATOM 0 HB2 ALA A 47 7.167 -0.285 -5.668 1.00 0.00 H new ATOM 0 HB3 ALA A 47 7.556 0.407 -4.075 1.00 0.00 H new ATOM 634 N ALA A 48 9.992 1.616 -3.518 1.00 0.00 N ATOM 635 CA ALA A 48 10.668 2.673 -2.776 1.00 0.00 C ATOM 636 C ALA A 48 12.114 2.827 -3.235 1.00 0.00 C ATOM 637 O ALA A 48 12.546 3.919 -3.604 1.00 0.00 O ATOM 638 CB ALA A 48 10.613 2.387 -1.283 1.00 0.00 C ATOM 0 H ALA A 48 9.608 0.872 -2.936 1.00 0.00 H new ATOM 0 HA ALA A 48 10.150 3.611 -2.974 1.00 0.00 H new ATOM 0 HB1 ALA A 48 11.122 3.184 -0.741 1.00 0.00 H new ATOM 0 HB2 ALA A 48 9.573 2.335 -0.961 1.00 0.00 H new ATOM 0 HB3 ALA A 48 11.105 1.437 -1.076 1.00 0.00 H new ATOM 644 N CYS A 49 12.858 1.726 -3.209 1.00 0.00 N ATOM 645 CA CYS A 49 14.257 1.738 -3.621 1.00 0.00 C ATOM 646 C CYS A 49 14.424 2.458 -4.956 1.00 0.00 C ATOM 647 O CYS A 49 15.395 3.185 -5.163 1.00 0.00 O ATOM 648 CB CYS A 49 14.791 0.309 -3.729 1.00 0.00 C ATOM 649 SG CYS A 49 15.516 -0.333 -2.186 1.00 0.00 S ATOM 0 H CYS A 49 12.515 0.814 -2.907 1.00 0.00 H new ATOM 0 HA CYS A 49 14.828 2.275 -2.864 1.00 0.00 H new ATOM 0 HB2 CYS A 49 13.978 -0.349 -4.037 1.00 0.00 H new ATOM 0 HB3 CYS A 49 15.546 0.273 -4.515 1.00 0.00 H new ATOM 654 N ASN A 50 13.471 2.250 -5.858 1.00 0.00 N ATOM 655 CA ASN A 50 13.512 2.879 -7.173 1.00 0.00 C ATOM 656 C ASN A 50 13.378 4.394 -7.056 1.00 0.00 C ATOM 657 O ASN A 50 14.081 5.145 -7.733 1.00 0.00 O ATOM 658 CB ASN A 50 12.398 2.324 -8.062 1.00 0.00 C ATOM 659 CG ASN A 50 12.499 0.822 -8.247 1.00 0.00 C ATOM 660 OD1 ASN A 50 13.592 0.255 -8.221 1.00 0.00 O ATOM 661 ND2 ASN A 50 11.358 0.171 -8.436 1.00 0.00 N ATOM 0 H ASN A 50 12.661 1.651 -5.703 1.00 0.00 H new ATOM 0 HA ASN A 50 14.477 2.652 -7.627 1.00 0.00 H new ATOM 0 HB2 ASN A 50 11.431 2.569 -7.623 1.00 0.00 H new ATOM 0 HB3 ASN A 50 12.438 2.811 -9.036 1.00 0.00 H new ATOM 0 HD21 ASN A 50 11.364 -0.841 -8.567 1.00 0.00 H new ATOM 0 HD22 ASN A 50 10.475 0.682 -8.450 1.00 0.00 H new ATOM 668 N CYS A 51 12.471 4.837 -6.192 1.00 0.00 N ATOM 669 CA CYS A 51 12.244 6.262 -5.985 1.00 0.00 C ATOM 670 C CYS A 51 13.408 6.895 -5.228 1.00 0.00 C ATOM 671 O CYS A 51 13.746 8.059 -5.447 1.00 0.00 O ATOM 672 CB CYS A 51 10.940 6.486 -5.217 1.00 0.00 C ATOM 673 SG CYS A 51 9.436 6.222 -6.211 1.00 0.00 S ATOM 0 H CYS A 51 11.881 4.229 -5.624 1.00 0.00 H new ATOM 0 HA CYS A 51 12.168 6.738 -6.963 1.00 0.00 H new ATOM 0 HB2 CYS A 51 10.917 5.815 -4.358 1.00 0.00 H new ATOM 0 HB3 CYS A 51 10.931 7.504 -4.827 1.00 0.00 H new ATOM 678 N LEU A 52 14.017 6.120 -4.338 1.00 0.00 N ATOM 679 CA LEU A 52 15.145 6.603 -3.547 1.00 0.00 C ATOM 680 C LEU A 52 16.409 6.687 -4.397 1.00 0.00 C ATOM 681 O LEU A 52 17.047 7.736 -4.478 1.00 0.00 O ATOM 682 CB LEU A 52 15.382 5.685 -2.347 1.00 0.00 C ATOM 683 CG LEU A 52 14.633 6.049 -1.065 1.00 0.00 C ATOM 684 CD1 LEU A 52 14.838 4.978 -0.005 1.00 0.00 C ATOM 685 CD2 LEU A 52 15.088 7.407 -0.549 1.00 0.00 C ATOM 0 H LEU A 52 13.749 5.155 -4.145 1.00 0.00 H new ATOM 0 HA LEU A 52 14.904 7.604 -3.188 1.00 0.00 H new ATOM 0 HB2 LEU A 52 15.104 4.670 -2.631 1.00 0.00 H new ATOM 0 HB3 LEU A 52 16.450 5.673 -2.129 1.00 0.00 H new ATOM 0 HG LEU A 52 13.569 6.107 -1.292 1.00 0.00 H new ATOM 0 HD11 LEU A 52 14.298 5.254 0.900 1.00 0.00 H new ATOM 0 HD12 LEU A 52 14.463 4.024 -0.375 1.00 0.00 H new ATOM 0 HD13 LEU A 52 15.901 4.888 0.220 1.00 0.00 H new ATOM 0 HD21 LEU A 52 14.544 7.650 0.364 1.00 0.00 H new ATOM 0 HD22 LEU A 52 16.157 7.376 -0.338 1.00 0.00 H new ATOM 0 HD23 LEU A 52 14.889 8.168 -1.303 1.00 0.00 H new ATOM 697 N LYS A 53 16.765 5.574 -5.029 1.00 0.00 N ATOM 698 CA LYS A 53 17.951 5.520 -5.876 1.00 0.00 C ATOM 699 C LYS A 53 17.955 6.669 -6.880 1.00 0.00 C ATOM 700 O LYS A 53 18.987 7.297 -7.115 1.00 0.00 O ATOM 701 CB LYS A 53 18.014 4.182 -6.616 1.00 0.00 C ATOM 702 CG LYS A 53 19.430 3.705 -6.889 1.00 0.00 C ATOM 703 CD LYS A 53 19.765 2.462 -6.082 1.00 0.00 C ATOM 704 CE LYS A 53 19.709 2.736 -4.587 1.00 0.00 C ATOM 705 NZ LYS A 53 18.800 1.789 -3.883 1.00 0.00 N ATOM 0 H LYS A 53 16.249 4.696 -4.971 1.00 0.00 H new ATOM 0 HA LYS A 53 18.828 5.616 -5.236 1.00 0.00 H new ATOM 0 HB2 LYS A 53 17.492 3.427 -6.029 1.00 0.00 H new ATOM 0 HB3 LYS A 53 17.482 4.274 -7.563 1.00 0.00 H new ATOM 0 HG2 LYS A 53 19.544 3.492 -7.952 1.00 0.00 H new ATOM 0 HG3 LYS A 53 20.136 4.499 -6.645 1.00 0.00 H new ATOM 0 HD2 LYS A 53 19.066 1.664 -6.333 1.00 0.00 H new ATOM 0 HD3 LYS A 53 20.761 2.109 -6.351 1.00 0.00 H new ATOM 0 HE2 LYS A 53 20.711 2.658 -4.166 1.00 0.00 H new ATOM 0 HE3 LYS A 53 19.370 3.758 -4.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 18.789 2.009 -2.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 17.838 1.881 -4.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 19.137 0.815 -4.023 1.00 0.00 H new ATOM 719 N SER A 54 16.794 6.939 -7.468 1.00 0.00 N ATOM 720 CA SER A 54 16.665 8.011 -8.448 1.00 0.00 C ATOM 721 C SER A 54 16.667 9.375 -7.764 1.00 0.00 C ATOM 722 O SER A 54 17.079 10.375 -8.352 1.00 0.00 O ATOM 723 CB SER A 54 15.379 7.837 -9.259 1.00 0.00 C ATOM 724 OG SER A 54 15.275 6.521 -9.774 1.00 0.00 O ATOM 0 H SER A 54 15.929 6.430 -7.283 1.00 0.00 H new ATOM 0 HA SER A 54 17.521 7.960 -9.121 1.00 0.00 H new ATOM 0 HB2 SER A 54 14.516 8.054 -8.629 1.00 0.00 H new ATOM 0 HB3 SER A 54 15.363 8.554 -10.080 1.00 0.00 H new ATOM 0 HG SER A 54 14.811 5.951 -9.125 1.00 0.00 H new ATOM 730 N ALA A 55 16.205 9.407 -6.519 1.00 0.00 N ATOM 731 CA ALA A 55 16.156 10.647 -5.754 1.00 0.00 C ATOM 732 C ALA A 55 17.559 11.167 -5.460 1.00 0.00 C ATOM 733 O ALA A 55 17.861 12.335 -5.703 1.00 0.00 O ATOM 734 CB ALA A 55 15.386 10.437 -4.458 1.00 0.00 C ATOM 0 H ALA A 55 15.859 8.588 -6.018 1.00 0.00 H new ATOM 0 HA ALA A 55 15.639 11.395 -6.354 1.00 0.00 H new ATOM 0 HB1 ALA A 55 15.357 11.371 -3.897 1.00 0.00 H new ATOM 0 HB2 ALA A 55 14.369 10.119 -4.687 1.00 0.00 H new ATOM 0 HB3 ALA A 55 15.880 9.670 -3.861 1.00 0.00 H new ATOM 740 N ALA A 56 18.411 10.293 -4.935 1.00 0.00 N ATOM 741 CA ALA A 56 19.782 10.664 -4.609 1.00 0.00 C ATOM 742 C ALA A 56 20.569 11.016 -5.867 1.00 0.00 C ATOM 743 O ALA A 56 21.585 11.707 -5.803 1.00 0.00 O ATOM 744 CB ALA A 56 20.469 9.536 -3.853 1.00 0.00 C ATOM 0 H ALA A 56 18.176 9.323 -4.726 1.00 0.00 H new ATOM 0 HA ALA A 56 19.751 11.548 -3.972 1.00 0.00 H new ATOM 0 HB1 ALA A 56 21.492 9.827 -3.616 1.00 0.00 H new ATOM 0 HB2 ALA A 56 19.926 9.333 -2.930 1.00 0.00 H new ATOM 0 HB3 ALA A 56 20.481 8.638 -4.471 1.00 0.00 H new ATOM 750 N GLY A 57 20.094 10.534 -7.012 1.00 0.00 N ATOM 751 CA GLY A 57 20.766 10.808 -8.268 1.00 0.00 C ATOM 752 C GLY A 57 20.887 12.292 -8.549 1.00 0.00 C ATOM 753 O GLY A 57 21.727 12.713 -9.345 1.00 0.00 O ATOM 0 H GLY A 57 19.256 9.959 -7.091 1.00 0.00 H new ATOM 0 HA2 GLY A 57 21.761 10.363 -8.249 1.00 0.00 H new ATOM 0 HA3 GLY A 57 20.219 10.331 -9.081 1.00 0.00 H new ATOM 757 N SER A 58 20.046 13.087 -7.896 1.00 0.00 N ATOM 758 CA SER A 58 20.059 14.533 -8.085 1.00 0.00 C ATOM 759 C SER A 58 20.845 15.219 -6.972 1.00 0.00 C ATOM 760 O SER A 58 20.659 16.407 -6.707 1.00 0.00 O ATOM 761 CB SER A 58 18.629 15.076 -8.124 1.00 0.00 C ATOM 762 OG SER A 58 18.574 16.318 -8.803 1.00 0.00 O ATOM 0 H SER A 58 19.347 12.755 -7.232 1.00 0.00 H new ATOM 0 HA SER A 58 20.547 14.746 -9.036 1.00 0.00 H new ATOM 0 HB2 SER A 58 17.977 14.357 -8.621 1.00 0.00 H new ATOM 0 HB3 SER A 58 18.255 15.197 -7.107 1.00 0.00 H new ATOM 0 HG SER A 58 19.240 16.928 -8.423 1.00 0.00 H new ATOM 768 N ILE A 59 21.725 14.462 -6.324 1.00 0.00 N ATOM 769 CA ILE A 59 22.541 14.996 -5.241 1.00 0.00 C ATOM 770 C ILE A 59 23.926 15.393 -5.741 1.00 0.00 C ATOM 771 O ILE A 59 24.705 14.548 -6.184 1.00 0.00 O ATOM 772 CB ILE A 59 22.693 13.978 -4.096 1.00 0.00 C ATOM 773 CG1 ILE A 59 21.320 13.597 -3.537 1.00 0.00 C ATOM 774 CG2 ILE A 59 23.579 14.545 -2.997 1.00 0.00 C ATOM 775 CD1 ILE A 59 20.603 14.745 -2.861 1.00 0.00 C ATOM 0 H ILE A 59 21.891 13.477 -6.531 1.00 0.00 H new ATOM 0 HA ILE A 59 22.026 15.880 -4.864 1.00 0.00 H new ATOM 0 HB ILE A 59 23.167 13.079 -4.490 1.00 0.00 H new ATOM 0 HG12 ILE A 59 20.699 13.219 -4.349 1.00 0.00 H new ATOM 0 HG13 ILE A 59 21.441 12.783 -2.822 1.00 0.00 H new ATOM 0 HG21 ILE A 59 23.677 13.814 -2.195 1.00 0.00 H new ATOM 0 HG22 ILE A 59 24.565 14.771 -3.404 1.00 0.00 H new ATOM 0 HG23 ILE A 59 23.131 15.458 -2.603 1.00 0.00 H new ATOM 0 HD11 ILE A 59 19.637 14.402 -2.489 1.00 0.00 H new ATOM 0 HD12 ILE A 59 21.204 15.109 -2.028 1.00 0.00 H new ATOM 0 HD13 ILE A 59 20.450 15.551 -3.578 1.00 0.00 H new ATOM 787 N THR A 60 24.228 16.686 -5.665 1.00 0.00 N ATOM 788 CA THR A 60 25.519 17.196 -6.108 1.00 0.00 C ATOM 789 C THR A 60 26.661 16.555 -5.327 1.00 0.00 C ATOM 790 O THR A 60 26.830 16.808 -4.134 1.00 0.00 O ATOM 791 CB THR A 60 25.602 18.726 -5.953 1.00 0.00 C ATOM 792 OG1 THR A 60 26.942 19.171 -6.192 1.00 0.00 O ATOM 793 CG2 THR A 60 25.161 19.154 -4.562 1.00 0.00 C ATOM 0 H THR A 60 23.596 17.398 -5.301 1.00 0.00 H new ATOM 0 HA THR A 60 25.615 16.939 -7.163 1.00 0.00 H new ATOM 0 HB THR A 60 24.933 19.180 -6.684 1.00 0.00 H new ATOM 0 HG1 THR A 60 26.986 20.145 -6.093 1.00 0.00 H new ATOM 0 HG21 THR A 60 25.228 20.239 -4.477 1.00 0.00 H new ATOM 0 HG22 THR A 60 24.131 18.840 -4.394 1.00 0.00 H new ATOM 0 HG23 THR A 60 25.807 18.691 -3.817 1.00 0.00 H new ATOM 801 N LYS A 61 27.444 15.725 -6.008 1.00 0.00 N ATOM 802 CA LYS A 61 28.572 15.048 -5.379 1.00 0.00 C ATOM 803 C LYS A 61 28.108 14.195 -4.202 1.00 0.00 C ATOM 804 O LYS A 61 28.561 14.381 -3.071 1.00 0.00 O ATOM 805 CB LYS A 61 29.607 16.071 -4.904 1.00 0.00 C ATOM 806 CG LYS A 61 30.564 16.519 -5.995 1.00 0.00 C ATOM 807 CD LYS A 61 31.645 17.435 -5.447 1.00 0.00 C ATOM 808 CE LYS A 61 32.955 16.691 -5.241 1.00 0.00 C ATOM 809 NZ LYS A 61 34.135 17.574 -5.459 1.00 0.00 N ATOM 0 H LYS A 61 27.318 15.505 -6.996 1.00 0.00 H new ATOM 0 HA LYS A 61 29.030 14.394 -6.121 1.00 0.00 H new ATOM 0 HB2 LYS A 61 29.088 16.943 -4.507 1.00 0.00 H new ATOM 0 HB3 LYS A 61 30.181 15.641 -4.083 1.00 0.00 H new ATOM 0 HG2 LYS A 61 31.025 15.646 -6.457 1.00 0.00 H new ATOM 0 HG3 LYS A 61 30.009 17.037 -6.777 1.00 0.00 H new ATOM 0 HD2 LYS A 61 31.802 18.266 -6.134 1.00 0.00 H new ATOM 0 HD3 LYS A 61 31.315 17.862 -4.500 1.00 0.00 H new ATOM 0 HE2 LYS A 61 32.987 16.285 -4.230 1.00 0.00 H new ATOM 0 HE3 LYS A 61 33.003 15.844 -5.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 35.008 17.030 -5.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 34.119 17.941 -6.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 34.103 18.368 -4.788 1.00 0.00 H new ATOM 823 N LEU A 62 27.205 13.260 -4.475 1.00 0.00 N ATOM 824 CA LEU A 62 26.681 12.377 -3.439 1.00 0.00 C ATOM 825 C LEU A 62 27.815 11.727 -2.653 1.00 0.00 C ATOM 826 O LEU A 62 28.827 11.323 -3.224 1.00 0.00 O ATOM 827 CB LEU A 62 25.793 11.299 -4.061 1.00 0.00 C ATOM 828 CG LEU A 62 25.300 10.205 -3.113 1.00 0.00 C ATOM 829 CD1 LEU A 62 23.968 10.597 -2.493 1.00 0.00 C ATOM 830 CD2 LEU A 62 25.179 8.878 -3.847 1.00 0.00 C ATOM 0 H LEU A 62 26.820 13.094 -5.405 1.00 0.00 H new ATOM 0 HA LEU A 62 26.085 12.978 -2.752 1.00 0.00 H new ATOM 0 HB2 LEU A 62 24.924 11.784 -4.506 1.00 0.00 H new ATOM 0 HB3 LEU A 62 26.345 10.826 -4.873 1.00 0.00 H new ATOM 0 HG LEU A 62 26.030 10.089 -2.312 1.00 0.00 H new ATOM 0 HD11 LEU A 62 23.633 9.807 -1.821 1.00 0.00 H new ATOM 0 HD12 LEU A 62 24.087 11.524 -1.932 1.00 0.00 H new ATOM 0 HD13 LEU A 62 23.229 10.742 -3.281 1.00 0.00 H new ATOM 0 HD21 LEU A 62 24.827 8.111 -3.157 1.00 0.00 H new ATOM 0 HD22 LEU A 62 24.470 8.980 -4.669 1.00 0.00 H new ATOM 0 HD23 LEU A 62 26.153 8.591 -4.242 1.00 0.00 H new ATOM 842 N ASN A 63 27.637 11.627 -1.339 1.00 0.00 N ATOM 843 CA ASN A 63 28.645 11.024 -0.475 1.00 0.00 C ATOM 844 C ASN A 63 28.174 9.670 0.047 1.00 0.00 C ATOM 845 O ASN A 63 27.338 9.596 0.949 1.00 0.00 O ATOM 846 CB ASN A 63 28.963 11.953 0.698 1.00 0.00 C ATOM 847 CG ASN A 63 30.390 11.800 1.187 1.00 0.00 C ATOM 848 OD1 ASN A 63 30.840 10.694 1.487 1.00 0.00 O ATOM 849 ND2 ASN A 63 31.110 12.912 1.268 1.00 0.00 N ATOM 0 H ASN A 63 26.804 11.956 -0.850 1.00 0.00 H new ATOM 0 HA ASN A 63 29.549 10.872 -1.064 1.00 0.00 H new ATOM 0 HB2 ASN A 63 28.795 12.986 0.395 1.00 0.00 H new ATOM 0 HB3 ASN A 63 28.276 11.745 1.519 1.00 0.00 H new ATOM 0 HD21 ASN A 63 32.077 12.871 1.589 1.00 0.00 H new ATOM 0 HD22 ASN A 63 30.696 13.808 1.009 1.00 0.00 H new ATOM 856 N THR A 64 28.716 8.599 -0.525 1.00 0.00 N ATOM 857 CA THR A 64 28.351 7.248 -0.119 1.00 0.00 C ATOM 858 C THR A 64 28.515 7.063 1.385 1.00 0.00 C ATOM 859 O THR A 64 27.735 6.356 2.022 1.00 0.00 O ATOM 860 CB THR A 64 29.202 6.193 -0.850 1.00 0.00 C ATOM 861 OG1 THR A 64 30.586 6.559 -0.801 1.00 0.00 O ATOM 862 CG2 THR A 64 28.761 6.050 -2.299 1.00 0.00 C ATOM 0 H THR A 64 29.410 8.642 -1.271 1.00 0.00 H new ATOM 0 HA THR A 64 27.304 7.109 -0.387 1.00 0.00 H new ATOM 0 HB THR A 64 29.062 5.235 -0.348 1.00 0.00 H new ATOM 0 HG1 THR A 64 31.120 5.882 -1.267 1.00 0.00 H new ATOM 0 HG21 THR A 64 29.377 5.299 -2.794 1.00 0.00 H new ATOM 0 HG22 THR A 64 27.716 5.742 -2.333 1.00 0.00 H new ATOM 0 HG23 THR A 64 28.874 7.006 -2.810 1.00 0.00 H new ATOM 870 N ASN A 65 29.533 7.705 1.948 1.00 0.00 N ATOM 871 CA ASN A 65 29.799 7.611 3.379 1.00 0.00 C ATOM 872 C ASN A 65 28.680 8.266 4.184 1.00 0.00 C ATOM 873 O ASN A 65 28.227 7.723 5.191 1.00 0.00 O ATOM 874 CB ASN A 65 31.138 8.272 3.715 1.00 0.00 C ATOM 875 CG ASN A 65 32.322 7.443 3.258 1.00 0.00 C ATOM 876 OD1 ASN A 65 32.287 6.824 2.194 1.00 0.00 O ATOM 877 ND2 ASN A 65 33.379 7.426 4.062 1.00 0.00 N ATOM 0 H ASN A 65 30.187 8.296 1.435 1.00 0.00 H new ATOM 0 HA ASN A 65 29.845 6.555 3.646 1.00 0.00 H new ATOM 0 HB2 ASN A 65 31.183 9.255 3.245 1.00 0.00 H new ATOM 0 HB3 ASN A 65 31.202 8.430 4.792 1.00 0.00 H new ATOM 0 HD21 ASN A 65 34.205 6.885 3.807 1.00 0.00 H new ATOM 0 HD22 ASN A 65 33.365 7.954 4.935 1.00 0.00 H new ATOM 884 N ASN A 66 28.240 9.435 3.732 1.00 0.00 N ATOM 885 CA ASN A 66 27.174 10.164 4.410 1.00 0.00 C ATOM 886 C ASN A 66 25.844 9.427 4.282 1.00 0.00 C ATOM 887 O ASN A 66 25.067 9.357 5.234 1.00 0.00 O ATOM 888 CB ASN A 66 27.045 11.575 3.833 1.00 0.00 C ATOM 889 CG ASN A 66 28.338 12.362 3.936 1.00 0.00 C ATOM 890 OD1 ASN A 66 29.294 11.925 4.576 1.00 0.00 O ATOM 891 ND2 ASN A 66 28.372 13.529 3.304 1.00 0.00 N ATOM 0 H ASN A 66 28.605 9.898 2.900 1.00 0.00 H new ATOM 0 HA ASN A 66 27.431 10.233 5.467 1.00 0.00 H new ATOM 0 HB2 ASN A 66 26.744 11.511 2.787 1.00 0.00 H new ATOM 0 HB3 ASN A 66 26.255 12.109 4.360 1.00 0.00 H new ATOM 0 HD21 ASN A 66 29.215 14.103 3.337 1.00 0.00 H new ATOM 0 HD22 ASN A 66 27.555 13.852 2.785 1.00 0.00 H new ATOM 898 N ALA A 67 25.589 8.879 3.098 1.00 0.00 N ATOM 899 CA ALA A 67 24.355 8.145 2.846 1.00 0.00 C ATOM 900 C ALA A 67 24.202 6.979 3.816 1.00 0.00 C ATOM 901 O ALA A 67 23.105 6.700 4.299 1.00 0.00 O ATOM 902 CB ALA A 67 24.322 7.648 1.409 1.00 0.00 C ATOM 0 H ALA A 67 26.221 8.930 2.299 1.00 0.00 H new ATOM 0 HA ALA A 67 23.518 8.825 3.003 1.00 0.00 H new ATOM 0 HB1 ALA A 67 23.395 7.102 1.234 1.00 0.00 H new ATOM 0 HB2 ALA A 67 24.376 8.498 0.729 1.00 0.00 H new ATOM 0 HB3 ALA A 67 25.171 6.988 1.233 1.00 0.00 H new ATOM 908 N ALA A 68 25.310 6.299 4.096 1.00 0.00 N ATOM 909 CA ALA A 68 25.298 5.163 5.010 1.00 0.00 C ATOM 910 C ALA A 68 25.212 5.626 6.460 1.00 0.00 C ATOM 911 O ALA A 68 24.707 4.906 7.322 1.00 0.00 O ATOM 912 CB ALA A 68 26.537 4.306 4.800 1.00 0.00 C ATOM 0 H ALA A 68 26.226 6.515 3.703 1.00 0.00 H new ATOM 0 HA ALA A 68 24.413 4.564 4.795 1.00 0.00 H new ATOM 0 HB1 ALA A 68 26.516 3.461 5.488 1.00 0.00 H new ATOM 0 HB2 ALA A 68 26.555 3.938 3.774 1.00 0.00 H new ATOM 0 HB3 ALA A 68 27.429 4.904 4.987 1.00 0.00 H new ATOM 918 N ALA A 69 25.708 6.830 6.723 1.00 0.00 N ATOM 919 CA ALA A 69 25.685 7.389 8.069 1.00 0.00 C ATOM 920 C ALA A 69 24.275 7.815 8.463 1.00 0.00 C ATOM 921 O ALA A 69 23.918 7.801 9.642 1.00 0.00 O ATOM 922 CB ALA A 69 26.642 8.568 8.168 1.00 0.00 C ATOM 0 H ALA A 69 26.131 7.438 6.021 1.00 0.00 H new ATOM 0 HA ALA A 69 26.009 6.613 8.763 1.00 0.00 H new ATOM 0 HB1 ALA A 69 26.614 8.975 9.179 1.00 0.00 H new ATOM 0 HB2 ALA A 69 27.654 8.235 7.939 1.00 0.00 H new ATOM 0 HB3 ALA A 69 26.344 9.339 7.458 1.00 0.00 H new ATOM 928 N LEU A 70 23.478 8.194 7.470 1.00 0.00 N ATOM 929 CA LEU A 70 22.106 8.625 7.713 1.00 0.00 C ATOM 930 C LEU A 70 21.337 7.573 8.506 1.00 0.00 C ATOM 931 O LEU A 70 20.817 7.835 9.591 1.00 0.00 O ATOM 932 CB LEU A 70 21.395 8.902 6.387 1.00 0.00 C ATOM 933 CG LEU A 70 19.878 8.708 6.386 1.00 0.00 C ATOM 934 CD1 LEU A 70 19.226 9.591 7.439 1.00 0.00 C ATOM 935 CD2 LEU A 70 19.304 9.005 5.009 1.00 0.00 C ATOM 0 H LEU A 70 23.758 8.212 6.489 1.00 0.00 H new ATOM 0 HA LEU A 70 22.138 9.543 8.299 1.00 0.00 H new ATOM 0 HB2 LEU A 70 21.610 9.928 6.090 1.00 0.00 H new ATOM 0 HB3 LEU A 70 21.825 8.252 5.624 1.00 0.00 H new ATOM 0 HG LEU A 70 19.664 7.668 6.631 1.00 0.00 H new ATOM 0 HD11 LEU A 70 18.147 9.439 7.423 1.00 0.00 H new ATOM 0 HD12 LEU A 70 19.615 9.331 8.423 1.00 0.00 H new ATOM 0 HD13 LEU A 70 19.449 10.636 7.226 1.00 0.00 H new ATOM 0 HD21 LEU A 70 18.224 8.862 5.027 1.00 0.00 H new ATOM 0 HD22 LEU A 70 19.529 10.036 4.736 1.00 0.00 H new ATOM 0 HD23 LEU A 70 19.747 8.330 4.277 1.00 0.00 H new ATOM 947 N PRO A 71 21.263 6.353 7.955 1.00 0.00 N ATOM 948 CA PRO A 71 20.562 5.236 8.595 1.00 0.00 C ATOM 949 C PRO A 71 21.284 4.736 9.841 1.00 0.00 C ATOM 950 O PRO A 71 20.652 4.365 10.830 1.00 0.00 O ATOM 951 CB PRO A 71 20.554 4.155 7.511 1.00 0.00 C ATOM 952 CG PRO A 71 21.729 4.472 6.651 1.00 0.00 C ATOM 953 CD PRO A 71 21.859 5.970 6.664 1.00 0.00 C ATOM 0 HA PRO A 71 19.568 5.522 8.939 1.00 0.00 H new ATOM 0 HB2 PRO A 71 20.638 3.159 7.945 1.00 0.00 H new ATOM 0 HB3 PRO A 71 19.627 4.176 6.938 1.00 0.00 H new ATOM 0 HG2 PRO A 71 22.633 3.998 7.035 1.00 0.00 H new ATOM 0 HG3 PRO A 71 21.581 4.102 5.636 1.00 0.00 H new ATOM 0 HD2 PRO A 71 22.901 6.284 6.593 1.00 0.00 H new ATOM 0 HD3 PRO A 71 21.331 6.426 5.827 1.00 0.00 H new ATOM 961 N GLY A 72 22.613 4.730 9.787 1.00 0.00 N ATOM 962 CA GLY A 72 23.399 4.274 10.919 1.00 0.00 C ATOM 963 C GLY A 72 23.203 5.139 12.147 1.00 0.00 C ATOM 964 O GLY A 72 22.996 4.630 13.249 1.00 0.00 O ATOM 0 H GLY A 72 23.159 5.033 8.980 1.00 0.00 H new ATOM 0 HA2 GLY A 72 23.127 3.245 11.156 1.00 0.00 H new ATOM 0 HA3 GLY A 72 24.454 4.269 10.646 1.00 0.00 H new ATOM 968 N LYS A 73 23.270 6.453 11.960 1.00 0.00 N ATOM 969 CA LYS A 73 23.099 7.393 13.062 1.00 0.00 C ATOM 970 C LYS A 73 21.630 7.506 13.458 1.00 0.00 C ATOM 971 O LYS A 73 21.307 7.897 14.580 1.00 0.00 O ATOM 972 CB LYS A 73 23.640 8.771 12.672 1.00 0.00 C ATOM 973 CG LYS A 73 25.140 8.911 12.864 1.00 0.00 C ATOM 974 CD LYS A 73 25.903 8.498 11.616 1.00 0.00 C ATOM 975 CE LYS A 73 27.389 8.792 11.749 1.00 0.00 C ATOM 976 NZ LYS A 73 27.974 8.158 12.963 1.00 0.00 N ATOM 0 H LYS A 73 23.442 6.891 11.055 1.00 0.00 H new ATOM 0 HA LYS A 73 23.660 7.017 13.918 1.00 0.00 H new ATOM 0 HB2 LYS A 73 23.396 8.966 11.628 1.00 0.00 H new ATOM 0 HB3 LYS A 73 23.133 9.532 13.265 1.00 0.00 H new ATOM 0 HG2 LYS A 73 25.381 9.944 13.114 1.00 0.00 H new ATOM 0 HG3 LYS A 73 25.459 8.297 13.706 1.00 0.00 H new ATOM 0 HD2 LYS A 73 25.756 7.433 11.434 1.00 0.00 H new ATOM 0 HD3 LYS A 73 25.502 9.027 10.751 1.00 0.00 H new ATOM 0 HE2 LYS A 73 27.911 8.431 10.863 1.00 0.00 H new ATOM 0 HE3 LYS A 73 27.543 9.870 11.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 29.011 8.222 12.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 27.630 8.651 13.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 27.690 7.158 13.004 1.00 0.00 H new ATOM 990 N CYS A 74 20.743 7.160 12.530 1.00 0.00 N ATOM 991 CA CYS A 74 19.309 7.222 12.782 1.00 0.00 C ATOM 992 C CYS A 74 18.828 5.962 13.496 1.00 0.00 C ATOM 993 O CYS A 74 17.637 5.802 13.762 1.00 0.00 O ATOM 994 CB CYS A 74 18.546 7.399 11.468 1.00 0.00 C ATOM 995 SG CYS A 74 18.394 9.131 10.925 1.00 0.00 S ATOM 0 H CYS A 74 20.993 6.834 11.597 1.00 0.00 H new ATOM 0 HA CYS A 74 19.115 8.080 13.425 1.00 0.00 H new ATOM 0 HB2 CYS A 74 19.049 6.828 10.688 1.00 0.00 H new ATOM 0 HB3 CYS A 74 17.548 6.975 11.580 1.00 0.00 H new ATOM 1000 N GLY A 75 19.763 5.068 13.803 1.00 0.00 N ATOM 1001 CA GLY A 75 19.416 3.834 14.483 1.00 0.00 C ATOM 1002 C GLY A 75 18.582 2.910 13.618 1.00 0.00 C ATOM 1003 O GLY A 75 17.795 2.112 14.128 1.00 0.00 O ATOM 0 H GLY A 75 20.755 5.177 13.593 1.00 0.00 H new ATOM 0 HA2 GLY A 75 20.329 3.320 14.784 1.00 0.00 H new ATOM 0 HA3 GLY A 75 18.866 4.067 15.395 1.00 0.00 H new ATOM 1007 N VAL A 76 18.751 3.019 12.304 1.00 0.00 N ATOM 1008 CA VAL A 76 18.008 2.187 11.366 1.00 0.00 C ATOM 1009 C VAL A 76 18.858 1.834 10.151 1.00 0.00 C ATOM 1010 O VAL A 76 18.797 2.505 9.122 1.00 0.00 O ATOM 1011 CB VAL A 76 16.721 2.889 10.891 1.00 0.00 C ATOM 1012 CG1 VAL A 76 17.029 4.297 10.406 1.00 0.00 C ATOM 1013 CG2 VAL A 76 16.043 2.076 9.799 1.00 0.00 C ATOM 0 H VAL A 76 19.396 3.676 11.865 1.00 0.00 H new ATOM 0 HA VAL A 76 17.741 1.273 11.897 1.00 0.00 H new ATOM 0 HB VAL A 76 16.035 2.963 11.735 1.00 0.00 H new ATOM 0 HG11 VAL A 76 16.108 4.777 10.075 1.00 0.00 H new ATOM 0 HG12 VAL A 76 17.467 4.875 11.220 1.00 0.00 H new ATOM 0 HG13 VAL A 76 17.733 4.250 9.575 1.00 0.00 H new ATOM 0 HG21 VAL A 76 15.136 2.586 9.475 1.00 0.00 H new ATOM 0 HG22 VAL A 76 16.720 1.968 8.952 1.00 0.00 H new ATOM 0 HG23 VAL A 76 15.786 1.090 10.186 1.00 0.00 H new ATOM 1023 N ASN A 77 19.651 0.775 10.278 1.00 0.00 N ATOM 1024 CA ASN A 77 20.515 0.332 9.190 1.00 0.00 C ATOM 1025 C ASN A 77 19.789 -0.666 8.291 1.00 0.00 C ATOM 1026 O ASN A 77 18.935 -1.423 8.751 1.00 0.00 O ATOM 1027 CB ASN A 77 21.790 -0.302 9.749 1.00 0.00 C ATOM 1028 CG ASN A 77 22.911 -0.342 8.729 1.00 0.00 C ATOM 1029 OD1 ASN A 77 22.998 0.518 7.852 1.00 0.00 O ATOM 1030 ND2 ASN A 77 23.776 -1.344 8.839 1.00 0.00 N ATOM 0 H ASN A 77 19.713 0.208 11.123 1.00 0.00 H new ATOM 0 HA ASN A 77 20.783 1.204 8.593 1.00 0.00 H new ATOM 0 HB2 ASN A 77 22.118 0.259 10.624 1.00 0.00 H new ATOM 0 HB3 ASN A 77 21.571 -1.316 10.085 1.00 0.00 H new ATOM 0 HD21 ASN A 77 24.551 -1.423 8.181 1.00 0.00 H new ATOM 0 HD22 ASN A 77 23.665 -2.034 9.582 1.00 0.00 H new ATOM 1037 N ILE A 78 20.137 -0.660 7.009 1.00 0.00 N ATOM 1038 CA ILE A 78 19.521 -1.565 6.046 1.00 0.00 C ATOM 1039 C ILE A 78 20.522 -2.600 5.546 1.00 0.00 C ATOM 1040 O ILE A 78 21.736 -2.394 5.580 1.00 0.00 O ATOM 1041 CB ILE A 78 18.946 -0.798 4.841 1.00 0.00 C ATOM 1042 CG1 ILE A 78 19.956 0.236 4.338 1.00 0.00 C ATOM 1043 CG2 ILE A 78 17.634 -0.126 5.217 1.00 0.00 C ATOM 1044 CD1 ILE A 78 19.823 1.586 5.009 1.00 0.00 C ATOM 0 H ILE A 78 20.842 -0.039 6.613 1.00 0.00 H new ATOM 0 HA ILE A 78 18.707 -2.072 6.565 1.00 0.00 H new ATOM 0 HB ILE A 78 18.750 -1.508 4.037 1.00 0.00 H new ATOM 0 HG12 ILE A 78 20.965 -0.144 4.501 1.00 0.00 H new ATOM 0 HG13 ILE A 78 19.832 0.360 3.262 1.00 0.00 H new ATOM 0 HG21 ILE A 78 17.240 0.412 4.355 1.00 0.00 H new ATOM 0 HG22 ILE A 78 16.915 -0.882 5.532 1.00 0.00 H new ATOM 0 HG23 ILE A 78 17.805 0.575 6.034 1.00 0.00 H new ATOM 0 HD11 ILE A 78 20.570 2.269 4.604 1.00 0.00 H new ATOM 0 HD12 ILE A 78 18.826 1.987 4.825 1.00 0.00 H new ATOM 0 HD13 ILE A 78 19.977 1.476 6.082 1.00 0.00 H new ATOM 1056 N PRO A 79 20.004 -3.741 5.067 1.00 0.00 N ATOM 1057 CA PRO A 79 20.836 -4.831 4.548 1.00 0.00 C ATOM 1058 C PRO A 79 21.509 -4.468 3.228 1.00 0.00 C ATOM 1059 O PRO A 79 22.371 -5.198 2.739 1.00 0.00 O ATOM 1060 CB PRO A 79 19.836 -5.972 4.343 1.00 0.00 C ATOM 1061 CG PRO A 79 18.523 -5.296 4.149 1.00 0.00 C ATOM 1062 CD PRO A 79 18.567 -4.055 4.997 1.00 0.00 C ATOM 0 HA PRO A 79 21.654 -5.079 5.225 1.00 0.00 H new ATOM 0 HB2 PRO A 79 20.100 -6.579 3.477 1.00 0.00 H new ATOM 0 HB3 PRO A 79 19.814 -6.639 5.205 1.00 0.00 H new ATOM 0 HG2 PRO A 79 18.364 -5.046 3.100 1.00 0.00 H new ATOM 0 HG3 PRO A 79 17.701 -5.946 4.450 1.00 0.00 H new ATOM 0 HD2 PRO A 79 17.999 -3.241 4.547 1.00 0.00 H new ATOM 0 HD3 PRO A 79 18.145 -4.229 5.987 1.00 0.00 H new ATOM 1070 N TYR A 80 21.110 -3.337 2.658 1.00 0.00 N ATOM 1071 CA TYR A 80 21.673 -2.879 1.393 1.00 0.00 C ATOM 1072 C TYR A 80 22.230 -1.465 1.526 1.00 0.00 C ATOM 1073 O TYR A 80 21.972 -0.772 2.510 1.00 0.00 O ATOM 1074 CB TYR A 80 20.611 -2.920 0.293 1.00 0.00 C ATOM 1075 CG TYR A 80 19.281 -2.337 0.713 1.00 0.00 C ATOM 1076 CD1 TYR A 80 19.116 -0.964 0.854 1.00 0.00 C ATOM 1077 CD2 TYR A 80 18.190 -3.157 0.970 1.00 0.00 C ATOM 1078 CE1 TYR A 80 17.903 -0.426 1.238 1.00 0.00 C ATOM 1079 CE2 TYR A 80 16.973 -2.628 1.353 1.00 0.00 C ATOM 1080 CZ TYR A 80 16.834 -1.262 1.486 1.00 0.00 C ATOM 1081 OH TYR A 80 15.624 -0.731 1.869 1.00 0.00 O ATOM 0 H TYR A 80 20.399 -2.720 3.051 1.00 0.00 H new ATOM 0 HA TYR A 80 22.490 -3.548 1.124 1.00 0.00 H new ATOM 0 HB2 TYR A 80 20.979 -2.375 -0.576 1.00 0.00 H new ATOM 0 HB3 TYR A 80 20.463 -3.954 -0.019 1.00 0.00 H new ATOM 0 HD1 TYR A 80 19.951 -0.307 0.660 1.00 0.00 H new ATOM 0 HD2 TYR A 80 18.295 -4.227 0.869 1.00 0.00 H new ATOM 0 HE1 TYR A 80 17.792 0.643 1.343 1.00 0.00 H new ATOM 0 HE2 TYR A 80 16.135 -3.280 1.547 1.00 0.00 H new ATOM 0 HH TYR A 80 14.977 -1.455 2.003 1.00 0.00 H new ATOM 1091 N LYS A 81 22.996 -1.042 0.526 1.00 0.00 N ATOM 1092 CA LYS A 81 23.589 0.290 0.527 1.00 0.00 C ATOM 1093 C LYS A 81 22.776 1.248 -0.338 1.00 0.00 C ATOM 1094 O LYS A 81 21.809 0.846 -0.986 1.00 0.00 O ATOM 1095 CB LYS A 81 25.032 0.228 0.019 1.00 0.00 C ATOM 1096 CG LYS A 81 25.144 -0.121 -1.454 1.00 0.00 C ATOM 1097 CD LYS A 81 26.361 -0.988 -1.731 1.00 0.00 C ATOM 1098 CE LYS A 81 27.574 -0.146 -2.093 1.00 0.00 C ATOM 1099 NZ LYS A 81 28.435 -0.819 -3.105 1.00 0.00 N ATOM 0 H LYS A 81 23.221 -1.603 -0.296 1.00 0.00 H new ATOM 0 HA LYS A 81 23.586 0.661 1.552 1.00 0.00 H new ATOM 0 HB2 LYS A 81 25.511 1.192 0.193 1.00 0.00 H new ATOM 0 HB3 LYS A 81 25.582 -0.511 0.602 1.00 0.00 H new ATOM 0 HG2 LYS A 81 24.243 -0.644 -1.774 1.00 0.00 H new ATOM 0 HG3 LYS A 81 25.207 0.795 -2.042 1.00 0.00 H new ATOM 0 HD2 LYS A 81 26.586 -1.593 -0.853 1.00 0.00 H new ATOM 0 HD3 LYS A 81 26.140 -1.678 -2.545 1.00 0.00 H new ATOM 0 HE2 LYS A 81 27.244 0.818 -2.480 1.00 0.00 H new ATOM 0 HE3 LYS A 81 28.158 0.054 -1.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 29.251 -0.213 -3.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 28.771 -1.727 -2.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 27.885 -0.987 -3.972 1.00 0.00 H new ATOM 1113 N ILE A 82 23.175 2.516 -0.343 1.00 0.00 N ATOM 1114 CA ILE A 82 22.484 3.530 -1.130 1.00 0.00 C ATOM 1115 C ILE A 82 23.431 4.196 -2.121 1.00 0.00 C ATOM 1116 O ILE A 82 24.476 4.724 -1.739 1.00 0.00 O ATOM 1117 CB ILE A 82 21.858 4.611 -0.229 1.00 0.00 C ATOM 1118 CG1 ILE A 82 20.873 3.979 0.756 1.00 0.00 C ATOM 1119 CG2 ILE A 82 21.164 5.669 -1.075 1.00 0.00 C ATOM 1120 CD1 ILE A 82 21.523 3.486 2.029 1.00 0.00 C ATOM 0 H ILE A 82 23.972 2.865 0.189 1.00 0.00 H new ATOM 0 HA ILE A 82 21.691 3.020 -1.676 1.00 0.00 H new ATOM 0 HB ILE A 82 22.653 5.092 0.341 1.00 0.00 H new ATOM 0 HG12 ILE A 82 20.106 4.710 1.009 1.00 0.00 H new ATOM 0 HG13 ILE A 82 20.369 3.144 0.268 1.00 0.00 H new ATOM 0 HG21 ILE A 82 20.727 6.426 -0.424 1.00 0.00 H new ATOM 0 HG22 ILE A 82 21.890 6.137 -1.739 1.00 0.00 H new ATOM 0 HG23 ILE A 82 20.378 5.202 -1.668 1.00 0.00 H new ATOM 0 HD11 ILE A 82 20.765 3.050 2.680 1.00 0.00 H new ATOM 0 HD12 ILE A 82 22.271 2.731 1.787 1.00 0.00 H new ATOM 0 HD13 ILE A 82 22.003 4.321 2.539 1.00 0.00 H new ATOM 1132 N SER A 83 23.059 4.170 -3.397 1.00 0.00 N ATOM 1133 CA SER A 83 23.876 4.769 -4.445 1.00 0.00 C ATOM 1134 C SER A 83 23.212 4.611 -5.809 1.00 0.00 C ATOM 1135 O SER A 83 22.351 3.751 -5.999 1.00 0.00 O ATOM 1136 CB SER A 83 25.266 4.131 -4.465 1.00 0.00 C ATOM 1137 OG SER A 83 25.895 4.316 -5.721 1.00 0.00 O ATOM 0 H SER A 83 22.196 3.740 -3.730 1.00 0.00 H new ATOM 0 HA SER A 83 23.975 5.833 -4.230 1.00 0.00 H new ATOM 0 HB2 SER A 83 25.881 4.568 -3.679 1.00 0.00 H new ATOM 0 HB3 SER A 83 25.184 3.066 -4.250 1.00 0.00 H new ATOM 0 HG SER A 83 26.268 3.464 -6.029 1.00 0.00 H new ATOM 1143 N THR A 84 23.618 5.448 -6.759 1.00 0.00 N ATOM 1144 CA THR A 84 23.063 5.403 -8.106 1.00 0.00 C ATOM 1145 C THR A 84 23.483 4.130 -8.831 1.00 0.00 C ATOM 1146 O THR A 84 22.946 3.800 -9.889 1.00 0.00 O ATOM 1147 CB THR A 84 23.506 6.623 -8.936 1.00 0.00 C ATOM 1148 OG1 THR A 84 24.902 6.869 -8.740 1.00 0.00 O ATOM 1149 CG2 THR A 84 22.708 7.859 -8.549 1.00 0.00 C ATOM 0 H THR A 84 24.330 6.165 -6.620 1.00 0.00 H new ATOM 0 HA THR A 84 21.978 5.417 -8.002 1.00 0.00 H new ATOM 0 HB THR A 84 23.321 6.405 -9.988 1.00 0.00 H new ATOM 0 HG1 THR A 84 25.175 7.645 -9.273 1.00 0.00 H new ATOM 0 HG21 THR A 84 23.038 8.708 -9.148 1.00 0.00 H new ATOM 0 HG22 THR A 84 21.648 7.679 -8.728 1.00 0.00 H new ATOM 0 HG23 THR A 84 22.865 8.078 -7.493 1.00 0.00 H new ATOM 1157 N THR A 85 24.446 3.416 -8.256 1.00 0.00 N ATOM 1158 CA THR A 85 24.937 2.179 -8.848 1.00 0.00 C ATOM 1159 C THR A 85 24.529 0.970 -8.014 1.00 0.00 C ATOM 1160 O THR A 85 25.156 -0.088 -8.085 1.00 0.00 O ATOM 1161 CB THR A 85 26.471 2.195 -8.991 1.00 0.00 C ATOM 1162 OG1 THR A 85 27.084 2.161 -7.698 1.00 0.00 O ATOM 1163 CG2 THR A 85 26.931 3.434 -9.744 1.00 0.00 C ATOM 0 H THR A 85 24.901 3.674 -7.380 1.00 0.00 H new ATOM 0 HA THR A 85 24.487 2.103 -9.838 1.00 0.00 H new ATOM 0 HB THR A 85 26.770 1.313 -9.557 1.00 0.00 H new ATOM 0 HG1 THR A 85 28.059 2.170 -7.798 1.00 0.00 H new ATOM 0 HG21 THR A 85 28.017 3.423 -9.833 1.00 0.00 H new ATOM 0 HG22 THR A 85 26.486 3.441 -10.739 1.00 0.00 H new ATOM 0 HG23 THR A 85 26.620 4.326 -9.201 1.00 0.00 H new ATOM 1171 N THR A 86 23.473 1.132 -7.222 1.00 0.00 N ATOM 1172 CA THR A 86 22.982 0.054 -6.374 1.00 0.00 C ATOM 1173 C THR A 86 21.707 -0.557 -6.944 1.00 0.00 C ATOM 1174 O THR A 86 20.862 0.147 -7.495 1.00 0.00 O ATOM 1175 CB THR A 86 22.704 0.548 -4.941 1.00 0.00 C ATOM 1176 OG1 THR A 86 23.928 0.950 -4.316 1.00 0.00 O ATOM 1177 CG2 THR A 86 22.038 -0.540 -4.113 1.00 0.00 C ATOM 0 H THR A 86 22.942 2.000 -7.151 1.00 0.00 H new ATOM 0 HA THR A 86 23.764 -0.705 -6.344 1.00 0.00 H new ATOM 0 HB THR A 86 22.029 1.402 -4.999 1.00 0.00 H new ATOM 0 HG1 THR A 86 23.731 1.544 -3.562 1.00 0.00 H new ATOM 0 HG21 THR A 86 21.852 -0.168 -3.106 1.00 0.00 H new ATOM 0 HG22 THR A 86 21.093 -0.822 -4.576 1.00 0.00 H new ATOM 0 HG23 THR A 86 22.692 -1.411 -4.063 1.00 0.00 H new ATOM 1185 N ASN A 87 21.575 -1.873 -6.808 1.00 0.00 N ATOM 1186 CA ASN A 87 20.402 -2.579 -7.311 1.00 0.00 C ATOM 1187 C ASN A 87 19.674 -3.299 -6.179 1.00 0.00 C ATOM 1188 O ASN A 87 20.147 -4.317 -5.671 1.00 0.00 O ATOM 1189 CB ASN A 87 20.809 -3.583 -8.391 1.00 0.00 C ATOM 1190 CG ASN A 87 19.616 -4.294 -8.999 1.00 0.00 C ATOM 1191 OD1 ASN A 87 18.471 -4.041 -8.624 1.00 0.00 O ATOM 1192 ND2 ASN A 87 19.879 -5.190 -9.943 1.00 0.00 N ATOM 0 H ASN A 87 22.265 -2.471 -6.354 1.00 0.00 H new ATOM 0 HA ASN A 87 19.725 -1.844 -7.745 1.00 0.00 H new ATOM 0 HB2 ASN A 87 21.358 -3.064 -9.177 1.00 0.00 H new ATOM 0 HB3 ASN A 87 21.487 -4.320 -7.961 1.00 0.00 H new ATOM 0 HD21 ASN A 87 19.116 -5.700 -10.388 1.00 0.00 H new ATOM 0 HD22 ASN A 87 20.844 -5.368 -10.223 1.00 0.00 H new ATOM 1199 N CYS A 88 18.522 -2.765 -5.790 1.00 0.00 N ATOM 1200 CA CYS A 88 17.728 -3.356 -4.719 1.00 0.00 C ATOM 1201 C CYS A 88 17.046 -4.636 -5.191 1.00 0.00 C ATOM 1202 O CYS A 88 16.680 -5.490 -4.384 1.00 0.00 O ATOM 1203 CB CYS A 88 16.678 -2.358 -4.224 1.00 0.00 C ATOM 1204 SG CYS A 88 17.253 -1.285 -2.869 1.00 0.00 S ATOM 0 H CYS A 88 18.117 -1.924 -6.200 1.00 0.00 H new ATOM 0 HA CYS A 88 18.399 -3.605 -3.897 1.00 0.00 H new ATOM 0 HB2 CYS A 88 16.364 -1.733 -5.060 1.00 0.00 H new ATOM 0 HB3 CYS A 88 15.799 -2.908 -3.889 1.00 0.00 H new