USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 605 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 LEU N :NH3+ -117:sc= -0.0317 (180deg=-1.09) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 134:sc= -1.56! USER MOD Single : A 5 SER OG : rot 30:sc= 1.26 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 137:sc= -0.11 (180deg=-1.95!) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 LYS NZ :NH3+ 141:sc= -0.383 (180deg=-1.91!) USER MOD Single : A 20 LYS NZ :NH3+ -128:sc= 0.107 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -0.7 K(o=-0.7,f=-1.4) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -21.7! C(o=-22!,f=-23!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot -156:sc= -1.58! USER MOD Single : A 42 LYS NZ :NH3+ -130:sc= -1.85! (180deg=-4.63!) USER MOD Single : A 46 TYR OH : rot -151:sc= -1.96! USER MOD Single : A 47 LYS NZ :NH3+ -170:sc= -4.93! (180deg=-5.96!) USER MOD Single : A 49 GLN : amide:sc= -2.89! C(o=-2.9!,f=-2.9!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 ASN : amide:sc= -1.04 K(o=-1,f=-2.3!) USER MOD Single : A 61 THR OG1 : rot 93:sc= 1.28 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 SER OG : rot 23:sc= 0.0718 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 -7.571 -1.621 13.997 1.00 0.00 N ATOM 2 CA LEU A 1 -8.428 -2.795 13.683 1.00 0.00 C ATOM 3 C LEU A 1 -7.602 -3.936 13.097 1.00 0.00 C ATOM 4 O LEU A 1 -6.581 -3.709 12.447 1.00 0.00 O ATOM 5 CB LEU A 1 -9.506 -2.361 12.688 1.00 0.00 C ATOM 6 CG LEU A 1 -10.787 -1.815 13.321 1.00 0.00 C ATOM 7 CD1 LEU A 1 -10.643 -0.332 13.625 1.00 0.00 C ATOM 8 CD2 LEU A 1 -11.978 -2.062 12.406 1.00 0.00 C ATOM 0 H1 LEU A 1 -7.592 -1.440 15.021 1.00 0.00 H new ATOM 0 H2 LEU A 1 -6.594 -1.815 13.700 1.00 0.00 H new ATOM 0 H3 LEU A 1 -7.927 -0.786 13.490 1.00 0.00 H new ATOM 0 HA LEU A 1 -8.889 -3.158 14.602 1.00 0.00 H new ATOM 0 HB2 LEU A 1 -9.088 -1.597 12.033 1.00 0.00 H new ATOM 0 HB3 LEU A 1 -9.764 -3.214 12.060 1.00 0.00 H new ATOM 0 HG LEU A 1 -10.959 -2.340 14.260 1.00 0.00 H new ATOM 0 HD11 LEU A 1 -11.564 0.038 14.075 1.00 0.00 H new ATOM 0 HD12 LEU A 1 -9.815 -0.181 14.318 1.00 0.00 H new ATOM 0 HD13 LEU A 1 -10.446 0.211 12.701 1.00 0.00 H new ATOM 0 HD21 LEU A 1 -12.882 -1.668 12.871 1.00 0.00 H new ATOM 0 HD22 LEU A 1 -11.813 -1.562 11.451 1.00 0.00 H new ATOM 0 HD23 LEU A 1 -12.093 -3.133 12.240 1.00 0.00 H new ATOM 22 N LYS A 2 -8.049 -5.165 13.335 1.00 0.00 N ATOM 23 CA LYS A 2 -7.350 -6.342 12.831 1.00 0.00 C ATOM 24 C LYS A 2 -8.341 -7.435 12.437 1.00 0.00 C ATOM 25 O LYS A 2 -8.238 -8.018 11.357 1.00 0.00 O ATOM 26 CB LYS A 2 -6.378 -6.874 13.887 1.00 0.00 C ATOM 27 CG LYS A 2 -5.030 -7.287 13.319 1.00 0.00 C ATOM 28 CD LYS A 2 -4.950 -8.789 13.099 1.00 0.00 C ATOM 29 CE LYS A 2 -3.626 -9.356 13.586 1.00 0.00 C ATOM 30 NZ LYS A 2 -3.245 -10.593 12.850 1.00 0.00 N ATOM 0 H LYS A 2 -8.891 -5.372 13.873 1.00 0.00 H new ATOM 0 HA LYS A 2 -6.788 -6.049 11.944 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -6.224 -6.107 14.646 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -6.830 -7.731 14.387 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -4.860 -6.771 12.374 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -4.237 -6.976 14.000 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -5.771 -9.278 13.623 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -5.073 -9.009 12.039 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -2.844 -8.606 13.465 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -3.695 -9.575 14.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -2.337 -10.947 13.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -3.978 -11.318 12.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -3.153 -10.380 11.836 1.00 0.00 H new ATOM 44 N LYS A 3 -9.298 -7.706 13.317 1.00 0.00 N ATOM 45 CA LYS A 3 -10.307 -8.728 13.060 1.00 0.00 C ATOM 46 C LYS A 3 -11.650 -8.092 12.716 1.00 0.00 C ATOM 47 O LYS A 3 -12.451 -7.795 13.601 1.00 0.00 O ATOM 48 CB LYS A 3 -10.458 -9.642 14.276 1.00 0.00 C ATOM 49 CG LYS A 3 -9.147 -10.258 14.740 1.00 0.00 C ATOM 50 CD LYS A 3 -9.351 -11.670 15.269 1.00 0.00 C ATOM 51 CE LYS A 3 -8.087 -12.207 15.920 1.00 0.00 C ATOM 52 NZ LYS A 3 -8.349 -13.449 16.699 1.00 0.00 N ATOM 0 H LYS A 3 -9.397 -7.232 14.215 1.00 0.00 H new ATOM 0 HA LYS A 3 -9.978 -9.322 12.207 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -10.893 -9.072 15.097 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -11.160 -10.440 14.035 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -8.439 -10.278 13.911 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -8.707 -9.636 15.520 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -10.165 -11.674 15.994 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -9.648 -12.327 14.452 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -7.341 -12.411 15.152 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -7.667 -11.447 16.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -7.462 -13.784 17.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -9.042 -13.249 17.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -8.726 -14.183 16.066 1.00 0.00 H new ATOM 66 N THR A 4 -11.889 -7.888 11.424 1.00 0.00 N ATOM 67 CA THR A 4 -13.136 -7.288 10.964 1.00 0.00 C ATOM 68 C THR A 4 -13.761 -8.120 9.849 1.00 0.00 C ATOM 69 O THR A 4 -14.961 -8.396 9.863 1.00 0.00 O ATOM 70 CB THR A 4 -12.890 -5.860 10.473 1.00 0.00 C ATOM 71 OG1 THR A 4 -12.163 -5.118 11.436 1.00 0.00 O ATOM 72 CG2 THR A 4 -14.167 -5.102 10.178 1.00 0.00 C ATOM 0 H THR A 4 -11.236 -8.129 10.678 1.00 0.00 H new ATOM 0 HA THR A 4 -13.828 -7.261 11.805 1.00 0.00 H new ATOM 0 HB THR A 4 -12.326 -5.965 9.546 1.00 0.00 H new ATOM 0 HG1 THR A 4 -11.438 -4.629 10.993 1.00 0.00 H new ATOM 0 HG21 THR A 4 -13.922 -4.097 9.834 1.00 0.00 H new ATOM 0 HG22 THR A 4 -14.729 -5.624 9.403 1.00 0.00 H new ATOM 0 HG23 THR A 4 -14.770 -5.039 11.084 1.00 0.00 H new ATOM 80 N SER A 5 -12.939 -8.520 8.884 1.00 0.00 N ATOM 81 CA SER A 5 -13.410 -9.321 7.761 1.00 0.00 C ATOM 82 C SER A 5 -12.240 -9.837 6.930 1.00 0.00 C ATOM 83 O SER A 5 -11.372 -9.069 6.518 1.00 0.00 O ATOM 84 CB SER A 5 -14.352 -8.496 6.879 1.00 0.00 C ATOM 85 OG SER A 5 -15.689 -8.585 7.336 1.00 0.00 O ATOM 0 H SER A 5 -11.943 -8.302 8.858 1.00 0.00 H new ATOM 0 HA SER A 5 -13.953 -10.177 8.161 1.00 0.00 H new ATOM 0 HB2 SER A 5 -14.034 -7.453 6.878 1.00 0.00 H new ATOM 0 HB3 SER A 5 -14.292 -8.849 5.849 1.00 0.00 H new ATOM 0 HG SER A 5 -15.695 -8.715 8.307 1.00 0.00 H new ATOM 91 N SER A 6 -12.224 -11.145 6.691 1.00 0.00 N ATOM 92 CA SER A 6 -11.161 -11.766 5.910 1.00 0.00 C ATOM 93 C SER A 6 -11.605 -11.991 4.469 1.00 0.00 C ATOM 94 O SER A 6 -11.222 -12.976 3.837 1.00 0.00 O ATOM 95 CB SER A 6 -10.747 -13.096 6.542 1.00 0.00 C ATOM 96 OG SER A 6 -9.353 -13.312 6.412 1.00 0.00 O ATOM 0 H SER A 6 -12.935 -11.794 7.027 1.00 0.00 H new ATOM 0 HA SER A 6 -10.305 -11.091 5.906 1.00 0.00 H new ATOM 0 HB2 SER A 6 -11.022 -13.102 7.597 1.00 0.00 H new ATOM 0 HB3 SER A 6 -11.290 -13.913 6.066 1.00 0.00 H new ATOM 0 HG SER A 6 -9.115 -14.168 6.825 1.00 0.00 H new ATOM 102 N SER A 7 -12.416 -11.071 3.954 1.00 0.00 N ATOM 103 CA SER A 7 -12.913 -11.171 2.588 1.00 0.00 C ATOM 104 C SER A 7 -12.124 -10.257 1.654 1.00 0.00 C ATOM 105 O SER A 7 -11.962 -10.553 0.470 1.00 0.00 O ATOM 106 CB SER A 7 -14.399 -10.811 2.535 1.00 0.00 C ATOM 107 OG SER A 7 -15.090 -11.631 1.610 1.00 0.00 O ATOM 0 H SER A 7 -12.742 -10.249 4.463 1.00 0.00 H new ATOM 0 HA SER A 7 -12.784 -12.201 2.256 1.00 0.00 H new ATOM 0 HB2 SER A 7 -14.839 -10.924 3.526 1.00 0.00 H new ATOM 0 HB3 SER A 7 -14.513 -9.764 2.253 1.00 0.00 H new ATOM 0 HG SER A 7 -16.038 -11.382 1.596 1.00 0.00 H new ATOM 113 N GLY A 8 -11.636 -9.144 2.195 1.00 0.00 N ATOM 114 CA GLY A 8 -10.871 -8.206 1.397 1.00 0.00 C ATOM 115 C GLY A 8 -10.325 -7.055 2.219 1.00 0.00 C ATOM 116 O GLY A 8 -10.798 -6.795 3.325 1.00 0.00 O ATOM 0 H GLY A 8 -11.757 -8.876 3.172 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -10.044 -8.731 0.918 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -11.502 -7.812 0.600 1.00 0.00 H new ATOM 120 N LEU A 9 -9.329 -6.360 1.677 1.00 0.00 N ATOM 121 CA LEU A 9 -8.725 -5.231 2.365 1.00 0.00 C ATOM 122 C LEU A 9 -8.348 -4.157 1.365 1.00 0.00 C ATOM 123 O LEU A 9 -7.844 -4.452 0.283 1.00 0.00 O ATOM 124 CB LEU A 9 -7.492 -5.679 3.152 1.00 0.00 C ATOM 125 CG LEU A 9 -7.791 -6.324 4.510 1.00 0.00 C ATOM 126 CD1 LEU A 9 -7.354 -7.781 4.519 1.00 0.00 C ATOM 127 CD2 LEU A 9 -7.104 -5.554 5.630 1.00 0.00 C ATOM 0 H LEU A 9 -8.925 -6.562 0.762 1.00 0.00 H new ATOM 0 HA LEU A 9 -9.451 -4.821 3.068 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -6.930 -6.389 2.545 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -6.847 -4.815 3.311 1.00 0.00 H new ATOM 0 HG LEU A 9 -8.868 -6.288 4.677 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -7.575 -8.221 5.491 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -7.891 -8.327 3.743 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -6.282 -7.841 4.329 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -7.328 -6.026 6.587 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.026 -5.558 5.466 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -7.466 -4.526 5.640 1.00 0.00 H new ATOM 139 N TYR A 10 -8.585 -2.908 1.732 1.00 0.00 N ATOM 140 CA TYR A 10 -8.261 -1.796 0.862 1.00 0.00 C ATOM 141 C TYR A 10 -6.970 -1.144 1.317 1.00 0.00 C ATOM 142 O TYR A 10 -6.934 -0.442 2.329 1.00 0.00 O ATOM 143 CB TYR A 10 -9.406 -0.789 0.842 1.00 0.00 C ATOM 144 CG TYR A 10 -10.752 -1.427 0.574 1.00 0.00 C ATOM 145 CD1 TYR A 10 -11.084 -1.879 -0.694 1.00 0.00 C ATOM 146 CD2 TYR A 10 -11.684 -1.585 1.590 1.00 0.00 C ATOM 147 CE1 TYR A 10 -12.306 -2.469 -0.947 1.00 0.00 C ATOM 148 CE2 TYR A 10 -12.912 -2.173 1.346 1.00 0.00 C ATOM 149 CZ TYR A 10 -13.217 -2.614 0.075 1.00 0.00 C ATOM 150 OH TYR A 10 -14.437 -3.200 -0.171 1.00 0.00 O ATOM 0 H TYR A 10 -9.000 -2.642 2.625 1.00 0.00 H new ATOM 0 HA TYR A 10 -8.120 -2.165 -0.154 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -9.441 -0.269 1.799 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -9.208 -0.038 0.078 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -10.373 -1.767 -1.499 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -11.447 -1.244 2.587 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -12.546 -2.815 -1.941 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -13.628 -2.286 2.146 1.00 0.00 H new ATOM 0 HH TYR A 10 -14.960 -3.226 0.657 1.00 0.00 H new ATOM 160 N LYS A 11 -5.909 -1.374 0.557 1.00 0.00 N ATOM 161 CA LYS A 11 -4.605 -0.803 0.876 1.00 0.00 C ATOM 162 C LYS A 11 -4.058 -0.025 -0.316 1.00 0.00 C ATOM 163 O LYS A 11 -4.386 -0.330 -1.463 1.00 0.00 O ATOM 164 CB LYS A 11 -3.625 -1.905 1.276 1.00 0.00 C ATOM 165 CG LYS A 11 -4.201 -2.899 2.272 1.00 0.00 C ATOM 166 CD LYS A 11 -3.893 -4.334 1.874 1.00 0.00 C ATOM 167 CE LYS A 11 -3.979 -5.273 3.065 1.00 0.00 C ATOM 168 NZ LYS A 11 -3.942 -6.702 2.649 1.00 0.00 N ATOM 0 H LYS A 11 -5.924 -1.951 -0.284 1.00 0.00 H new ATOM 0 HA LYS A 11 -4.726 -0.118 1.715 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -3.309 -2.441 0.381 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -2.733 -1.448 1.705 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -3.792 -2.700 3.263 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -5.280 -2.763 2.339 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -4.593 -4.657 1.103 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -2.895 -4.386 1.440 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -3.152 -5.072 3.746 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -4.900 -5.079 3.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -3.318 -7.234 3.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -4.902 -7.101 2.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -3.581 -6.771 1.676 1.00 0.00 H new ATOM 182 N VAL A 12 -3.223 0.977 -0.047 1.00 0.00 N ATOM 183 CA VAL A 12 -2.647 1.776 -1.123 1.00 0.00 C ATOM 184 C VAL A 12 -1.178 1.407 -1.329 1.00 0.00 C ATOM 185 O VAL A 12 -0.445 1.228 -0.366 1.00 0.00 O ATOM 186 CB VAL A 12 -2.768 3.301 -0.858 1.00 0.00 C ATOM 187 CG1 VAL A 12 -3.103 4.039 -2.137 1.00 0.00 C ATOM 188 CG2 VAL A 12 -3.820 3.619 0.194 1.00 0.00 C ATOM 0 H VAL A 12 -2.934 1.251 0.892 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.216 1.551 -2.025 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.800 3.632 -0.482 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -3.184 5.106 -1.931 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.316 3.870 -2.872 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -4.051 3.673 -2.531 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -3.869 4.697 0.346 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -4.791 3.256 -0.141 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -3.555 3.132 1.133 1.00 0.00 H new ATOM 198 N GLN A 13 -0.761 1.273 -2.584 1.00 0.00 N ATOM 199 CA GLN A 13 0.619 0.908 -2.899 1.00 0.00 C ATOM 200 C GLN A 13 1.232 1.886 -3.896 1.00 0.00 C ATOM 201 O GLN A 13 0.590 2.270 -4.871 1.00 0.00 O ATOM 202 CB GLN A 13 0.677 -0.514 -3.461 1.00 0.00 C ATOM 203 CG GLN A 13 2.091 -1.043 -3.635 1.00 0.00 C ATOM 204 CD GLN A 13 2.144 -2.558 -3.665 1.00 0.00 C ATOM 205 OE1 GLN A 13 2.293 -3.165 -4.726 1.00 0.00 O ATOM 206 NE2 GLN A 13 2.023 -3.177 -2.497 1.00 0.00 N ATOM 0 H GLN A 13 -1.357 1.411 -3.400 1.00 0.00 H new ATOM 0 HA GLN A 13 1.197 0.952 -1.976 1.00 0.00 H new ATOM 0 HB2 GLN A 13 0.128 -1.181 -2.796 1.00 0.00 H new ATOM 0 HB3 GLN A 13 0.169 -0.536 -4.425 1.00 0.00 H new ATOM 0 HG2 GLN A 13 2.511 -0.649 -4.560 1.00 0.00 H new ATOM 0 HG3 GLN A 13 2.715 -0.677 -2.820 1.00 0.00 H new ATOM 0 HE21 GLN A 13 1.901 -2.634 -1.642 1.00 0.00 H new ATOM 0 HE22 GLN A 13 2.052 -4.196 -2.454 1.00 0.00 H new ATOM 215 N ILE A 14 2.468 2.304 -3.634 1.00 0.00 N ATOM 216 CA ILE A 14 3.137 3.259 -4.509 1.00 0.00 C ATOM 217 C ILE A 14 4.248 2.632 -5.351 1.00 0.00 C ATOM 218 O ILE A 14 4.798 3.300 -6.228 1.00 0.00 O ATOM 219 CB ILE A 14 3.724 4.439 -3.712 1.00 0.00 C ATOM 220 CG1 ILE A 14 4.660 3.921 -2.614 1.00 0.00 C ATOM 221 CG2 ILE A 14 2.605 5.296 -3.140 1.00 0.00 C ATOM 222 CD1 ILE A 14 4.162 4.170 -1.207 1.00 0.00 C ATOM 0 H ILE A 14 3.020 2.000 -2.832 1.00 0.00 H new ATOM 0 HA ILE A 14 2.361 3.616 -5.186 1.00 0.00 H new ATOM 0 HB ILE A 14 4.313 5.068 -4.380 1.00 0.00 H new ATOM 0 HG12 ILE A 14 4.806 2.850 -2.752 1.00 0.00 H new ATOM 0 HG13 ILE A 14 5.636 4.393 -2.731 1.00 0.00 H new ATOM 0 HG21 ILE A 14 3.033 6.127 -2.579 1.00 0.00 H new ATOM 0 HG22 ILE A 14 1.993 5.685 -3.953 1.00 0.00 H new ATOM 0 HG23 ILE A 14 1.986 4.691 -2.477 1.00 0.00 H new ATOM 0 HD11 ILE A 14 4.882 3.773 -0.491 1.00 0.00 H new ATOM 0 HD12 ILE A 14 4.044 5.242 -1.047 1.00 0.00 H new ATOM 0 HD13 ILE A 14 3.201 3.674 -1.068 1.00 0.00 H new ATOM 234 N GLY A 15 4.576 1.357 -5.125 1.00 0.00 N ATOM 235 CA GLY A 15 5.614 0.745 -5.941 1.00 0.00 C ATOM 236 C GLY A 15 6.232 -0.518 -5.368 1.00 0.00 C ATOM 237 O GLY A 15 5.985 -0.890 -4.221 1.00 0.00 O ATOM 0 H GLY A 15 4.157 0.755 -4.416 1.00 0.00 H new ATOM 0 HA2 GLY A 15 5.193 0.512 -6.919 1.00 0.00 H new ATOM 0 HA3 GLY A 15 6.406 1.477 -6.101 1.00 0.00 H new ATOM 241 N ALA A 16 7.075 -1.146 -6.189 1.00 0.00 N ATOM 242 CA ALA A 16 7.806 -2.356 -5.822 1.00 0.00 C ATOM 243 C ALA A 16 9.118 -2.400 -6.605 1.00 0.00 C ATOM 244 O ALA A 16 9.159 -1.993 -7.767 1.00 0.00 O ATOM 245 CB ALA A 16 6.964 -3.601 -6.080 1.00 0.00 C ATOM 0 H ALA A 16 7.270 -0.824 -7.137 1.00 0.00 H new ATOM 0 HA ALA A 16 8.028 -2.337 -4.755 1.00 0.00 H new ATOM 0 HB1 ALA A 16 7.531 -4.488 -5.799 1.00 0.00 H new ATOM 0 HB2 ALA A 16 6.050 -3.551 -5.488 1.00 0.00 H new ATOM 0 HB3 ALA A 16 6.708 -3.654 -7.138 1.00 0.00 H new ATOM 251 N PHE A 17 10.193 -2.873 -5.980 1.00 0.00 N ATOM 252 CA PHE A 17 11.488 -2.931 -6.654 1.00 0.00 C ATOM 253 C PHE A 17 12.364 -4.033 -6.076 1.00 0.00 C ATOM 254 O PHE A 17 12.263 -4.368 -4.899 1.00 0.00 O ATOM 255 CB PHE A 17 12.214 -1.585 -6.535 1.00 0.00 C ATOM 256 CG PHE A 17 11.306 -0.392 -6.646 1.00 0.00 C ATOM 257 CD1 PHE A 17 10.686 0.128 -5.523 1.00 0.00 C ATOM 258 CD2 PHE A 17 11.076 0.207 -7.875 1.00 0.00 C ATOM 259 CE1 PHE A 17 9.850 1.226 -5.621 1.00 0.00 C ATOM 260 CE2 PHE A 17 10.243 1.304 -7.979 1.00 0.00 C ATOM 261 CZ PHE A 17 9.630 1.815 -6.852 1.00 0.00 C ATOM 0 H PHE A 17 10.195 -3.218 -5.020 1.00 0.00 H new ATOM 0 HA PHE A 17 11.302 -3.152 -7.705 1.00 0.00 H new ATOM 0 HB2 PHE A 17 12.733 -1.547 -5.577 1.00 0.00 H new ATOM 0 HB3 PHE A 17 12.975 -1.524 -7.313 1.00 0.00 H new ATOM 0 HD1 PHE A 17 10.857 -0.329 -4.559 1.00 0.00 H new ATOM 0 HD2 PHE A 17 11.553 -0.188 -8.760 1.00 0.00 H new ATOM 0 HE1 PHE A 17 9.371 1.622 -4.738 1.00 0.00 H new ATOM 0 HE2 PHE A 17 10.071 1.762 -8.942 1.00 0.00 H new ATOM 0 HZ PHE A 17 8.980 2.674 -6.932 1.00 0.00 H new ATOM 271 N LYS A 18 13.233 -4.588 -6.914 1.00 0.00 N ATOM 272 CA LYS A 18 14.136 -5.653 -6.492 1.00 0.00 C ATOM 273 C LYS A 18 15.051 -5.198 -5.355 1.00 0.00 C ATOM 274 O LYS A 18 15.678 -6.023 -4.691 1.00 0.00 O ATOM 275 CB LYS A 18 14.979 -6.131 -7.676 1.00 0.00 C ATOM 276 CG LYS A 18 15.776 -5.020 -8.342 1.00 0.00 C ATOM 277 CD LYS A 18 16.526 -5.527 -9.563 1.00 0.00 C ATOM 278 CE LYS A 18 17.732 -4.656 -9.877 1.00 0.00 C ATOM 279 NZ LYS A 18 18.587 -4.437 -8.677 1.00 0.00 N ATOM 0 H LYS A 18 13.331 -4.317 -7.892 1.00 0.00 H new ATOM 0 HA LYS A 18 13.525 -6.477 -6.124 1.00 0.00 H new ATOM 0 HB2 LYS A 18 15.666 -6.905 -7.334 1.00 0.00 H new ATOM 0 HB3 LYS A 18 14.324 -6.591 -8.416 1.00 0.00 H new ATOM 0 HG2 LYS A 18 15.103 -4.214 -8.636 1.00 0.00 H new ATOM 0 HG3 LYS A 18 16.484 -4.600 -7.627 1.00 0.00 H new ATOM 0 HD2 LYS A 18 16.852 -6.553 -9.391 1.00 0.00 H new ATOM 0 HD3 LYS A 18 15.855 -5.545 -10.422 1.00 0.00 H new ATOM 0 HE2 LYS A 18 18.323 -5.125 -10.663 1.00 0.00 H new ATOM 0 HE3 LYS A 18 17.394 -3.694 -10.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 19.589 -4.464 -8.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 18.369 -3.510 -8.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 18.401 -5.184 -7.977 1.00 0.00 H new ATOM 293 N VAL A 19 15.135 -3.887 -5.135 1.00 0.00 N ATOM 294 CA VAL A 19 15.986 -3.348 -4.079 1.00 0.00 C ATOM 295 C VAL A 19 15.167 -2.815 -2.907 1.00 0.00 C ATOM 296 O VAL A 19 14.260 -2.000 -3.085 1.00 0.00 O ATOM 297 CB VAL A 19 16.890 -2.220 -4.610 1.00 0.00 C ATOM 298 CG1 VAL A 19 17.915 -1.817 -3.560 1.00 0.00 C ATOM 299 CG2 VAL A 19 17.577 -2.646 -5.899 1.00 0.00 C ATOM 0 H VAL A 19 14.627 -3.183 -5.671 1.00 0.00 H new ATOM 0 HA VAL A 19 16.605 -4.175 -3.730 1.00 0.00 H new ATOM 0 HB VAL A 19 16.266 -1.353 -4.828 1.00 0.00 H new ATOM 0 HG11 VAL A 19 18.545 -1.019 -3.954 1.00 0.00 H new ATOM 0 HG12 VAL A 19 17.401 -1.466 -2.665 1.00 0.00 H new ATOM 0 HG13 VAL A 19 18.535 -2.677 -3.308 1.00 0.00 H new ATOM 0 HG21 VAL A 19 18.211 -1.836 -6.258 1.00 0.00 H new ATOM 0 HG22 VAL A 19 18.188 -3.529 -5.711 1.00 0.00 H new ATOM 0 HG23 VAL A 19 16.825 -2.879 -6.652 1.00 0.00 H new ATOM 309 N LYS A 20 15.499 -3.284 -1.707 1.00 0.00 N ATOM 310 CA LYS A 20 14.816 -2.868 -0.495 1.00 0.00 C ATOM 311 C LYS A 20 15.194 -1.442 -0.129 1.00 0.00 C ATOM 312 O LYS A 20 14.350 -0.667 0.311 1.00 0.00 O ATOM 313 CB LYS A 20 15.160 -3.811 0.660 1.00 0.00 C ATOM 314 CG LYS A 20 14.370 -3.533 1.930 1.00 0.00 C ATOM 315 CD LYS A 20 15.138 -2.625 2.875 1.00 0.00 C ATOM 316 CE LYS A 20 14.218 -1.981 3.901 1.00 0.00 C ATOM 317 NZ LYS A 20 14.790 -2.041 5.275 1.00 0.00 N ATOM 0 H LYS A 20 16.247 -3.960 -1.552 1.00 0.00 H new ATOM 0 HA LYS A 20 13.742 -2.908 -0.678 1.00 0.00 H new ATOM 0 HB2 LYS A 20 14.977 -4.839 0.346 1.00 0.00 H new ATOM 0 HB3 LYS A 20 16.225 -3.730 0.879 1.00 0.00 H new ATOM 0 HG2 LYS A 20 13.417 -3.070 1.673 1.00 0.00 H new ATOM 0 HG3 LYS A 20 14.143 -4.474 2.432 1.00 0.00 H new ATOM 0 HD2 LYS A 20 15.909 -3.200 3.387 1.00 0.00 H new ATOM 0 HD3 LYS A 20 15.646 -1.849 2.303 1.00 0.00 H new ATOM 0 HE2 LYS A 20 14.040 -0.941 3.627 1.00 0.00 H new ATOM 0 HE3 LYS A 20 13.251 -2.484 3.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 14.089 -2.450 5.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 15.645 -2.634 5.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 15.036 -1.081 5.591 1.00 0.00 H new ATOM 331 N ALA A 21 16.464 -1.088 -0.330 1.00 0.00 N ATOM 332 CA ALA A 21 16.925 0.262 -0.032 1.00 0.00 C ATOM 333 C ALA A 21 16.052 1.272 -0.762 1.00 0.00 C ATOM 334 O ALA A 21 15.752 2.349 -0.245 1.00 0.00 O ATOM 335 CB ALA A 21 18.384 0.428 -0.432 1.00 0.00 C ATOM 0 H ALA A 21 17.183 -1.713 -0.694 1.00 0.00 H new ATOM 0 HA ALA A 21 16.847 0.436 1.041 1.00 0.00 H new ATOM 0 HB1 ALA A 21 18.711 1.442 -0.202 1.00 0.00 H new ATOM 0 HB2 ALA A 21 18.996 -0.285 0.121 1.00 0.00 H new ATOM 0 HB3 ALA A 21 18.491 0.246 -1.501 1.00 0.00 H new ATOM 341 N ASN A 22 15.618 0.888 -1.957 1.00 0.00 N ATOM 342 CA ASN A 22 14.744 1.729 -2.754 1.00 0.00 C ATOM 343 C ASN A 22 13.348 1.706 -2.154 1.00 0.00 C ATOM 344 O ASN A 22 12.619 2.696 -2.208 1.00 0.00 O ATOM 345 CB ASN A 22 14.706 1.246 -4.205 1.00 0.00 C ATOM 346 CG ASN A 22 16.043 1.400 -4.902 1.00 0.00 C ATOM 347 OD1 ASN A 22 16.942 2.078 -4.404 1.00 0.00 O ATOM 348 ND2 ASN A 22 16.182 0.772 -6.063 1.00 0.00 N ATOM 0 H ASN A 22 15.860 -0.002 -2.392 1.00 0.00 H new ATOM 0 HA ASN A 22 15.127 2.750 -2.749 1.00 0.00 H new ATOM 0 HB2 ASN A 22 14.406 0.198 -4.228 1.00 0.00 H new ATOM 0 HB3 ASN A 22 13.948 1.807 -4.752 1.00 0.00 H new ATOM 0 HD21 ASN A 22 17.060 0.841 -6.578 1.00 0.00 H new ATOM 0 HD22 ASN A 22 15.411 0.220 -6.440 1.00 0.00 H new ATOM 355 N ALA A 23 12.988 0.565 -1.565 1.00 0.00 N ATOM 356 CA ALA A 23 11.683 0.417 -0.935 1.00 0.00 C ATOM 357 C ALA A 23 11.623 1.184 0.387 1.00 0.00 C ATOM 358 O ALA A 23 10.542 1.496 0.885 1.00 0.00 O ATOM 359 CB ALA A 23 11.371 -1.055 -0.708 1.00 0.00 C ATOM 0 H ALA A 23 13.580 -0.264 -1.513 1.00 0.00 H new ATOM 0 HA ALA A 23 10.932 0.837 -1.604 1.00 0.00 H new ATOM 0 HB1 ALA A 23 10.393 -1.151 -0.237 1.00 0.00 H new ATOM 0 HB2 ALA A 23 11.366 -1.578 -1.665 1.00 0.00 H new ATOM 0 HB3 ALA A 23 12.131 -1.492 -0.060 1.00 0.00 H new ATOM 365 N ASP A 24 12.793 1.486 0.946 1.00 0.00 N ATOM 366 CA ASP A 24 12.877 2.215 2.207 1.00 0.00 C ATOM 367 C ASP A 24 12.736 3.713 1.974 1.00 0.00 C ATOM 368 O ASP A 24 12.091 4.416 2.751 1.00 0.00 O ATOM 369 CB ASP A 24 14.205 1.915 2.907 1.00 0.00 C ATOM 370 CG ASP A 24 14.034 1.683 4.395 1.00 0.00 C ATOM 371 OD1 ASP A 24 13.045 2.190 4.966 1.00 0.00 O ATOM 372 OD2 ASP A 24 14.888 0.994 4.990 1.00 0.00 O ATOM 0 H ASP A 24 13.696 1.236 0.544 1.00 0.00 H new ATOM 0 HA ASP A 24 12.058 1.886 2.847 1.00 0.00 H new ATOM 0 HB2 ASP A 24 14.660 1.034 2.455 1.00 0.00 H new ATOM 0 HB3 ASP A 24 14.892 2.746 2.748 1.00 0.00 H new ATOM 377 N SER A 25 13.332 4.196 0.887 1.00 0.00 N ATOM 378 CA SER A 25 13.255 5.610 0.546 1.00 0.00 C ATOM 379 C SER A 25 11.829 5.967 0.143 1.00 0.00 C ATOM 380 O SER A 25 11.329 7.049 0.454 1.00 0.00 O ATOM 381 CB SER A 25 14.221 5.940 -0.594 1.00 0.00 C ATOM 382 OG SER A 25 14.704 7.268 -0.485 1.00 0.00 O ATOM 0 H SER A 25 13.871 3.630 0.231 1.00 0.00 H new ATOM 0 HA SER A 25 13.538 6.197 1.420 1.00 0.00 H new ATOM 0 HB2 SER A 25 15.059 5.243 -0.578 1.00 0.00 H new ATOM 0 HB3 SER A 25 13.716 5.811 -1.551 1.00 0.00 H new ATOM 0 HG SER A 25 15.320 7.454 -1.224 1.00 0.00 H new ATOM 388 N LEU A 26 11.179 5.033 -0.544 1.00 0.00 N ATOM 389 CA LEU A 26 9.806 5.217 -0.990 1.00 0.00 C ATOM 390 C LEU A 26 8.863 5.304 0.207 1.00 0.00 C ATOM 391 O LEU A 26 8.081 6.250 0.332 1.00 0.00 O ATOM 392 CB LEU A 26 9.409 4.057 -1.906 1.00 0.00 C ATOM 393 CG LEU A 26 8.001 4.133 -2.501 1.00 0.00 C ATOM 394 CD1 LEU A 26 7.819 5.407 -3.309 1.00 0.00 C ATOM 395 CD2 LEU A 26 7.727 2.913 -3.371 1.00 0.00 C ATOM 0 H LEU A 26 11.587 4.135 -0.805 1.00 0.00 H new ATOM 0 HA LEU A 26 9.731 6.152 -1.546 1.00 0.00 H new ATOM 0 HB2 LEU A 26 10.127 4.002 -2.724 1.00 0.00 H new ATOM 0 HB3 LEU A 26 9.496 3.128 -1.343 1.00 0.00 H new ATOM 0 HG LEU A 26 7.286 4.147 -1.678 1.00 0.00 H new ATOM 0 HD11 LEU A 26 6.810 5.436 -3.721 1.00 0.00 H new ATOM 0 HD12 LEU A 26 7.973 6.272 -2.664 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.544 5.428 -4.123 1.00 0.00 H new ATOM 0 HD21 LEU A 26 6.722 2.981 -3.787 1.00 0.00 H new ATOM 0 HD22 LEU A 26 8.454 2.874 -4.182 1.00 0.00 H new ATOM 0 HD23 LEU A 26 7.809 2.009 -2.767 1.00 0.00 H new ATOM 407 N ALA A 27 8.954 4.322 1.099 1.00 0.00 N ATOM 408 CA ALA A 27 8.122 4.300 2.295 1.00 0.00 C ATOM 409 C ALA A 27 8.343 5.566 3.119 1.00 0.00 C ATOM 410 O ALA A 27 7.448 6.024 3.829 1.00 0.00 O ATOM 411 CB ALA A 27 8.423 3.064 3.128 1.00 0.00 C ATOM 0 H ALA A 27 9.595 3.533 1.015 1.00 0.00 H new ATOM 0 HA ALA A 27 7.076 4.264 1.990 1.00 0.00 H new ATOM 0 HB1 ALA A 27 7.793 3.063 4.018 1.00 0.00 H new ATOM 0 HB2 ALA A 27 8.220 2.170 2.539 1.00 0.00 H new ATOM 0 HB3 ALA A 27 9.472 3.072 3.426 1.00 0.00 H new ATOM 417 N SER A 28 9.544 6.127 3.008 1.00 0.00 N ATOM 418 CA SER A 28 9.892 7.343 3.730 1.00 0.00 C ATOM 419 C SER A 28 9.082 8.526 3.211 1.00 0.00 C ATOM 420 O SER A 28 8.599 9.353 3.988 1.00 0.00 O ATOM 421 CB SER A 28 11.389 7.631 3.593 1.00 0.00 C ATOM 422 OG SER A 28 12.091 7.247 4.762 1.00 0.00 O ATOM 0 H SER A 28 10.293 5.756 2.423 1.00 0.00 H new ATOM 0 HA SER A 28 9.655 7.196 4.784 1.00 0.00 H new ATOM 0 HB2 SER A 28 11.788 7.094 2.732 1.00 0.00 H new ATOM 0 HB3 SER A 28 11.542 8.694 3.405 1.00 0.00 H new ATOM 0 HG SER A 28 13.045 7.440 4.649 1.00 0.00 H new ATOM 428 N ASN A 29 8.931 8.602 1.889 1.00 0.00 N ATOM 429 CA ASN A 29 8.173 9.684 1.273 1.00 0.00 C ATOM 430 C ASN A 29 6.734 9.685 1.772 1.00 0.00 C ATOM 431 O ASN A 29 6.199 10.725 2.157 1.00 0.00 O ATOM 432 CB ASN A 29 8.220 9.569 -0.261 1.00 0.00 C ATOM 433 CG ASN A 29 7.083 8.754 -0.852 1.00 0.00 C ATOM 434 OD1 ASN A 29 5.908 9.051 -0.640 1.00 0.00 O ATOM 435 ND2 ASN A 29 7.428 7.726 -1.608 1.00 0.00 N ATOM 0 H ASN A 29 9.322 7.930 1.229 1.00 0.00 H new ATOM 0 HA ASN A 29 8.630 10.631 1.559 1.00 0.00 H new ATOM 0 HB2 ASN A 29 8.198 10.570 -0.691 1.00 0.00 H new ATOM 0 HB3 ASN A 29 9.168 9.117 -0.553 1.00 0.00 H new ATOM 0 HD21 ASN A 29 6.708 7.146 -2.040 1.00 0.00 H new ATOM 0 HD22 ASN A 29 8.414 7.513 -1.760 1.00 0.00 H new ATOM 442 N ALA A 30 6.111 8.512 1.760 1.00 0.00 N ATOM 443 CA ALA A 30 4.734 8.379 2.208 1.00 0.00 C ATOM 444 C ALA A 30 4.593 8.834 3.651 1.00 0.00 C ATOM 445 O ALA A 30 3.634 9.519 4.007 1.00 0.00 O ATOM 446 CB ALA A 30 4.266 6.944 2.056 1.00 0.00 C ATOM 0 H ALA A 30 6.539 7.641 1.445 1.00 0.00 H new ATOM 0 HA ALA A 30 4.107 9.017 1.586 1.00 0.00 H new ATOM 0 HB1 ALA A 30 3.234 6.860 2.395 1.00 0.00 H new ATOM 0 HB2 ALA A 30 4.329 6.650 1.008 1.00 0.00 H new ATOM 0 HB3 ALA A 30 4.899 6.289 2.655 1.00 0.00 H new ATOM 452 N GLU A 31 5.558 8.450 4.479 1.00 0.00 N ATOM 453 CA GLU A 31 5.541 8.823 5.886 1.00 0.00 C ATOM 454 C GLU A 31 5.456 10.338 6.033 1.00 0.00 C ATOM 455 O GLU A 31 4.784 10.853 6.925 1.00 0.00 O ATOM 456 CB GLU A 31 6.789 8.294 6.595 1.00 0.00 C ATOM 457 CG GLU A 31 6.785 8.535 8.095 1.00 0.00 C ATOM 458 CD GLU A 31 8.161 8.385 8.714 1.00 0.00 C ATOM 459 OE1 GLU A 31 9.141 8.855 8.101 1.00 0.00 O ATOM 460 OE2 GLU A 31 8.257 7.798 9.813 1.00 0.00 O ATOM 0 H GLU A 31 6.359 7.883 4.200 1.00 0.00 H new ATOM 0 HA GLU A 31 4.661 8.376 6.350 1.00 0.00 H new ATOM 0 HB2 GLU A 31 6.877 7.224 6.408 1.00 0.00 H new ATOM 0 HB3 GLU A 31 7.670 8.767 6.162 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.407 9.537 8.297 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.099 7.834 8.570 1.00 0.00 H new ATOM 467 N ALA A 32 6.139 11.043 5.136 1.00 0.00 N ATOM 468 CA ALA A 32 6.141 12.499 5.140 1.00 0.00 C ATOM 469 C ALA A 32 4.715 13.030 5.131 1.00 0.00 C ATOM 470 O ALA A 32 4.340 13.850 5.969 1.00 0.00 O ATOM 471 CB ALA A 32 6.915 13.033 3.943 1.00 0.00 C ATOM 0 H ALA A 32 6.700 10.625 4.394 1.00 0.00 H new ATOM 0 HA ALA A 32 6.633 12.843 6.050 1.00 0.00 H new ATOM 0 HB1 ALA A 32 6.907 14.123 3.961 1.00 0.00 H new ATOM 0 HB2 ALA A 32 7.944 12.677 3.987 1.00 0.00 H new ATOM 0 HB3 ALA A 32 6.449 12.682 3.022 1.00 0.00 H new ATOM 477 N LYS A 33 3.912 12.534 4.194 1.00 0.00 N ATOM 478 CA LYS A 33 2.518 12.942 4.107 1.00 0.00 C ATOM 479 C LYS A 33 1.795 12.530 5.382 1.00 0.00 C ATOM 480 O LYS A 33 0.837 13.172 5.808 1.00 0.00 O ATOM 481 CB LYS A 33 1.842 12.302 2.898 1.00 0.00 C ATOM 482 CG LYS A 33 2.061 13.063 1.603 1.00 0.00 C ATOM 483 CD LYS A 33 1.324 14.393 1.606 1.00 0.00 C ATOM 484 CE LYS A 33 2.249 15.541 1.976 1.00 0.00 C ATOM 485 NZ LYS A 33 1.908 16.787 1.236 1.00 0.00 N ATOM 0 H LYS A 33 4.202 11.855 3.491 1.00 0.00 H new ATOM 0 HA LYS A 33 2.473 14.025 3.990 1.00 0.00 H new ATOM 0 HB2 LYS A 33 2.216 11.285 2.779 1.00 0.00 H new ATOM 0 HB3 LYS A 33 0.771 12.227 3.089 1.00 0.00 H new ATOM 0 HG2 LYS A 33 3.127 13.237 1.458 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.720 12.459 0.763 1.00 0.00 H new ATOM 0 HD2 LYS A 33 0.894 14.574 0.621 1.00 0.00 H new ATOM 0 HD3 LYS A 33 0.495 14.350 2.313 1.00 0.00 H new ATOM 0 HE2 LYS A 33 2.187 15.727 3.048 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.280 15.261 1.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 2.561 17.547 1.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 1.992 16.617 0.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 0.933 17.069 1.461 1.00 0.00 H new ATOM 499 N GLY A 34 2.286 11.455 5.992 1.00 0.00 N ATOM 500 CA GLY A 34 1.711 10.964 7.223 1.00 0.00 C ATOM 501 C GLY A 34 0.969 9.658 7.035 1.00 0.00 C ATOM 502 O GLY A 34 -0.018 9.393 7.722 1.00 0.00 O ATOM 0 H GLY A 34 3.079 10.914 5.648 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.502 10.826 7.960 1.00 0.00 H new ATOM 0 HA3 GLY A 34 1.028 11.712 7.625 1.00 0.00 H new ATOM 506 N PHE A 35 1.450 8.836 6.112 1.00 0.00 N ATOM 507 CA PHE A 35 0.833 7.548 5.848 1.00 0.00 C ATOM 508 C PHE A 35 1.632 6.426 6.494 1.00 0.00 C ATOM 509 O PHE A 35 2.813 6.585 6.800 1.00 0.00 O ATOM 510 CB PHE A 35 0.727 7.315 4.344 1.00 0.00 C ATOM 511 CG PHE A 35 0.178 8.493 3.595 1.00 0.00 C ATOM 512 CD1 PHE A 35 -0.780 9.315 4.168 1.00 0.00 C ATOM 513 CD2 PHE A 35 0.625 8.779 2.319 1.00 0.00 C ATOM 514 CE1 PHE A 35 -1.282 10.401 3.479 1.00 0.00 C ATOM 515 CE2 PHE A 35 0.128 9.865 1.623 1.00 0.00 C ATOM 516 CZ PHE A 35 -0.827 10.676 2.203 1.00 0.00 C ATOM 0 H PHE A 35 2.266 9.040 5.535 1.00 0.00 H new ATOM 0 HA PHE A 35 -0.168 7.552 6.279 1.00 0.00 H new ATOM 0 HB2 PHE A 35 1.714 7.072 3.951 1.00 0.00 H new ATOM 0 HB3 PHE A 35 0.090 6.449 4.162 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -1.138 9.103 5.165 1.00 0.00 H new ATOM 0 HD2 PHE A 35 1.371 8.147 1.860 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -2.028 11.034 3.936 1.00 0.00 H new ATOM 0 HE2 PHE A 35 0.486 10.079 0.627 1.00 0.00 H new ATOM 0 HZ PHE A 35 -1.218 11.524 1.661 1.00 0.00 H new ATOM 526 N ASP A 36 0.983 5.287 6.686 1.00 0.00 N ATOM 527 CA ASP A 36 1.638 4.133 7.281 1.00 0.00 C ATOM 528 C ASP A 36 2.303 3.299 6.197 1.00 0.00 C ATOM 529 O ASP A 36 1.659 2.464 5.561 1.00 0.00 O ATOM 530 CB ASP A 36 0.626 3.282 8.053 1.00 0.00 C ATOM 531 CG ASP A 36 -0.610 2.965 7.233 1.00 0.00 C ATOM 532 OD1 ASP A 36 -1.481 3.850 7.105 1.00 0.00 O ATOM 533 OD2 ASP A 36 -0.704 1.831 6.719 1.00 0.00 O ATOM 0 H ASP A 36 0.005 5.138 6.439 1.00 0.00 H new ATOM 0 HA ASP A 36 2.399 4.484 7.978 1.00 0.00 H new ATOM 0 HB2 ASP A 36 1.101 2.351 8.364 1.00 0.00 H new ATOM 0 HB3 ASP A 36 0.331 3.808 8.961 1.00 0.00 H new ATOM 538 N SER A 37 3.590 3.540 5.972 1.00 0.00 N ATOM 539 CA SER A 37 4.324 2.820 4.942 1.00 0.00 C ATOM 540 C SER A 37 4.755 1.451 5.440 1.00 0.00 C ATOM 541 O SER A 37 4.859 1.215 6.643 1.00 0.00 O ATOM 542 CB SER A 37 5.546 3.626 4.500 1.00 0.00 C ATOM 543 OG SER A 37 6.529 3.661 5.520 1.00 0.00 O ATOM 0 H SER A 37 4.143 4.225 6.487 1.00 0.00 H new ATOM 0 HA SER A 37 3.662 2.682 4.087 1.00 0.00 H new ATOM 0 HB2 SER A 37 5.969 3.185 3.597 1.00 0.00 H new ATOM 0 HB3 SER A 37 5.243 4.642 4.247 1.00 0.00 H new ATOM 0 HG SER A 37 7.103 4.446 5.395 1.00 0.00 H new ATOM 549 N ILE A 38 4.985 0.545 4.501 1.00 0.00 N ATOM 550 CA ILE A 38 5.381 -0.815 4.830 1.00 0.00 C ATOM 551 C ILE A 38 6.156 -1.449 3.679 1.00 0.00 C ATOM 552 O ILE A 38 5.770 -1.326 2.516 1.00 0.00 O ATOM 553 CB ILE A 38 4.138 -1.670 5.160 1.00 0.00 C ATOM 554 CG1 ILE A 38 4.459 -3.168 5.087 1.00 0.00 C ATOM 555 CG2 ILE A 38 2.997 -1.317 4.215 1.00 0.00 C ATOM 556 CD1 ILE A 38 3.744 -3.991 6.138 1.00 0.00 C ATOM 0 H ILE A 38 4.904 0.729 3.501 1.00 0.00 H new ATOM 0 HA ILE A 38 6.030 -0.776 5.705 1.00 0.00 H new ATOM 0 HB ILE A 38 3.831 -1.448 6.182 1.00 0.00 H new ATOM 0 HG12 ILE A 38 4.189 -3.541 4.099 1.00 0.00 H new ATOM 0 HG13 ILE A 38 5.534 -3.307 5.198 1.00 0.00 H new ATOM 0 HG21 ILE A 38 2.125 -1.925 4.455 1.00 0.00 H new ATOM 0 HG22 ILE A 38 2.746 -0.262 4.326 1.00 0.00 H new ATOM 0 HG23 ILE A 38 3.303 -1.511 3.187 1.00 0.00 H new ATOM 0 HD11 ILE A 38 4.018 -5.040 6.027 1.00 0.00 H new ATOM 0 HD12 ILE A 38 4.032 -3.644 7.130 1.00 0.00 H new ATOM 0 HD13 ILE A 38 2.667 -3.882 6.014 1.00 0.00 H new ATOM 568 N VAL A 39 7.249 -2.128 4.009 1.00 0.00 N ATOM 569 CA VAL A 39 8.075 -2.781 3.001 1.00 0.00 C ATOM 570 C VAL A 39 7.997 -4.298 3.126 1.00 0.00 C ATOM 571 O VAL A 39 8.477 -4.875 4.101 1.00 0.00 O ATOM 572 CB VAL A 39 9.547 -2.344 3.112 1.00 0.00 C ATOM 573 CG1 VAL A 39 10.353 -2.873 1.937 1.00 0.00 C ATOM 574 CG2 VAL A 39 9.650 -0.829 3.201 1.00 0.00 C ATOM 0 H VAL A 39 7.583 -2.240 4.966 1.00 0.00 H new ATOM 0 HA VAL A 39 7.686 -2.478 2.029 1.00 0.00 H new ATOM 0 HB VAL A 39 9.963 -2.767 4.026 1.00 0.00 H new ATOM 0 HG11 VAL A 39 11.391 -2.553 2.034 1.00 0.00 H new ATOM 0 HG12 VAL A 39 10.308 -3.962 1.926 1.00 0.00 H new ATOM 0 HG13 VAL A 39 9.939 -2.484 1.007 1.00 0.00 H new ATOM 0 HG21 VAL A 39 10.698 -0.540 3.279 1.00 0.00 H new ATOM 0 HG22 VAL A 39 9.215 -0.382 2.307 1.00 0.00 H new ATOM 0 HG23 VAL A 39 9.111 -0.479 4.081 1.00 0.00 H new ATOM 584 N LEU A 40 7.388 -4.944 2.133 1.00 0.00 N ATOM 585 CA LEU A 40 7.252 -6.398 2.141 1.00 0.00 C ATOM 586 C LEU A 40 8.047 -7.024 1.000 1.00 0.00 C ATOM 587 O LEU A 40 7.967 -6.576 -0.142 1.00 0.00 O ATOM 588 CB LEU A 40 5.769 -6.796 2.046 1.00 0.00 C ATOM 589 CG LEU A 40 5.402 -7.793 0.933 1.00 0.00 C ATOM 590 CD1 LEU A 40 6.074 -9.140 1.167 1.00 0.00 C ATOM 591 CD2 LEU A 40 3.892 -7.958 0.850 1.00 0.00 C ATOM 0 H LEU A 40 6.983 -4.486 1.317 1.00 0.00 H new ATOM 0 HA LEU A 40 7.655 -6.774 3.081 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.467 -7.224 3.002 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.180 -5.890 1.902 1.00 0.00 H new ATOM 0 HG LEU A 40 5.763 -7.395 -0.016 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.799 -9.828 0.367 1.00 0.00 H new ATOM 0 HD12 LEU A 40 7.156 -9.010 1.178 1.00 0.00 H new ATOM 0 HD13 LEU A 40 5.748 -9.548 2.124 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.646 -8.666 0.059 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.514 -8.332 1.802 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.432 -6.994 0.630 1.00 0.00 H new ATOM 603 N LEU A 41 8.818 -8.053 1.318 1.00 0.00 N ATOM 604 CA LEU A 41 9.627 -8.736 0.321 1.00 0.00 C ATOM 605 C LEU A 41 8.863 -9.897 -0.313 1.00 0.00 C ATOM 606 O LEU A 41 8.606 -10.912 0.334 1.00 0.00 O ATOM 607 CB LEU A 41 10.926 -9.252 0.948 1.00 0.00 C ATOM 608 CG LEU A 41 11.744 -10.198 0.063 1.00 0.00 C ATOM 609 CD1 LEU A 41 11.885 -9.627 -1.337 1.00 0.00 C ATOM 610 CD2 LEU A 41 13.109 -10.458 0.679 1.00 0.00 C ATOM 0 H LEU A 41 8.900 -8.434 2.261 1.00 0.00 H new ATOM 0 HA LEU A 41 9.867 -8.015 -0.461 1.00 0.00 H new ATOM 0 HB2 LEU A 41 11.549 -8.397 1.212 1.00 0.00 H new ATOM 0 HB3 LEU A 41 10.683 -9.768 1.877 1.00 0.00 H new ATOM 0 HG LEU A 41 11.216 -11.149 -0.007 1.00 0.00 H new ATOM 0 HD11 LEU A 41 12.469 -10.312 -1.952 1.00 0.00 H new ATOM 0 HD12 LEU A 41 10.897 -9.496 -1.778 1.00 0.00 H new ATOM 0 HD13 LEU A 41 12.391 -8.663 -1.287 1.00 0.00 H new ATOM 0 HD21 LEU A 41 13.676 -11.132 0.037 1.00 0.00 H new ATOM 0 HD22 LEU A 41 13.647 -9.516 0.781 1.00 0.00 H new ATOM 0 HD23 LEU A 41 12.984 -10.913 1.662 1.00 0.00 H new ATOM 622 N LYS A 42 8.537 -9.749 -1.591 1.00 0.00 N ATOM 623 CA LYS A 42 7.845 -10.794 -2.332 1.00 0.00 C ATOM 624 C LYS A 42 8.832 -11.483 -3.255 1.00 0.00 C ATOM 625 O LYS A 42 9.806 -10.865 -3.670 1.00 0.00 O ATOM 626 CB LYS A 42 6.686 -10.214 -3.149 1.00 0.00 C ATOM 627 CG LYS A 42 7.146 -9.471 -4.388 1.00 0.00 C ATOM 628 CD LYS A 42 7.343 -10.408 -5.575 1.00 0.00 C ATOM 629 CE LYS A 42 8.573 -10.038 -6.369 1.00 0.00 C ATOM 630 NZ LYS A 42 8.656 -10.795 -7.649 1.00 0.00 N ATOM 0 H LYS A 42 8.742 -8.912 -2.137 1.00 0.00 H new ATOM 0 HA LYS A 42 7.432 -11.512 -1.624 1.00 0.00 H new ATOM 0 HB2 LYS A 42 6.017 -11.022 -3.445 1.00 0.00 H new ATOM 0 HB3 LYS A 42 6.109 -9.537 -2.520 1.00 0.00 H new ATOM 0 HG2 LYS A 42 6.412 -8.708 -4.646 1.00 0.00 H new ATOM 0 HG3 LYS A 42 8.082 -8.954 -4.175 1.00 0.00 H new ATOM 0 HD2 LYS A 42 7.432 -11.435 -5.220 1.00 0.00 H new ATOM 0 HD3 LYS A 42 6.466 -10.370 -6.221 1.00 0.00 H new ATOM 0 HE2 LYS A 42 8.561 -8.969 -6.580 1.00 0.00 H new ATOM 0 HE3 LYS A 42 9.463 -10.235 -5.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 9.601 -11.219 -7.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 7.937 -11.546 -7.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 8.488 -10.149 -8.446 1.00 0.00 H new ATOM 644 N ASP A 43 8.582 -12.752 -3.574 1.00 0.00 N ATOM 645 CA ASP A 43 9.465 -13.520 -4.456 1.00 0.00 C ATOM 646 C ASP A 43 10.930 -13.093 -4.286 1.00 0.00 C ATOM 647 O ASP A 43 11.683 -13.709 -3.534 1.00 0.00 O ATOM 648 CB ASP A 43 9.023 -13.371 -5.916 1.00 0.00 C ATOM 649 CG ASP A 43 9.384 -14.580 -6.755 1.00 0.00 C ATOM 650 OD1 ASP A 43 10.515 -14.620 -7.286 1.00 0.00 O ATOM 651 OD2 ASP A 43 8.537 -15.489 -6.882 1.00 0.00 O ATOM 0 H ASP A 43 7.773 -13.273 -3.235 1.00 0.00 H new ATOM 0 HA ASP A 43 9.391 -14.571 -4.176 1.00 0.00 H new ATOM 0 HB2 ASP A 43 7.945 -13.216 -5.952 1.00 0.00 H new ATOM 0 HB3 ASP A 43 9.487 -12.483 -6.345 1.00 0.00 H new ATOM 656 N GLY A 44 11.314 -12.018 -4.973 1.00 0.00 N ATOM 657 CA GLY A 44 12.664 -11.499 -4.879 1.00 0.00 C ATOM 658 C GLY A 44 12.694 -9.980 -4.970 1.00 0.00 C ATOM 659 O GLY A 44 13.745 -9.389 -5.225 1.00 0.00 O ATOM 0 H GLY A 44 10.703 -11.494 -5.600 1.00 0.00 H new ATOM 0 HA2 GLY A 44 13.110 -11.815 -3.936 1.00 0.00 H new ATOM 0 HA3 GLY A 44 13.273 -11.923 -5.678 1.00 0.00 H new ATOM 663 N LEU A 45 11.537 -9.347 -4.759 1.00 0.00 N ATOM 664 CA LEU A 45 11.424 -7.890 -4.813 1.00 0.00 C ATOM 665 C LEU A 45 10.801 -7.338 -3.540 1.00 0.00 C ATOM 666 O LEU A 45 10.219 -8.074 -2.747 1.00 0.00 O ATOM 667 CB LEU A 45 10.562 -7.444 -6.000 1.00 0.00 C ATOM 668 CG LEU A 45 10.744 -8.232 -7.296 1.00 0.00 C ATOM 669 CD1 LEU A 45 9.879 -7.641 -8.399 1.00 0.00 C ATOM 670 CD2 LEU A 45 12.205 -8.231 -7.708 1.00 0.00 C ATOM 0 H LEU A 45 10.661 -9.826 -4.548 1.00 0.00 H new ATOM 0 HA LEU A 45 12.436 -7.502 -4.926 1.00 0.00 H new ATOM 0 HB2 LEU A 45 9.514 -7.505 -5.705 1.00 0.00 H new ATOM 0 HB3 LEU A 45 10.775 -6.395 -6.204 1.00 0.00 H new ATOM 0 HG LEU A 45 10.431 -9.262 -7.127 1.00 0.00 H new ATOM 0 HD11 LEU A 45 10.019 -8.212 -9.317 1.00 0.00 H new ATOM 0 HD12 LEU A 45 8.831 -7.683 -8.102 1.00 0.00 H new ATOM 0 HD13 LEU A 45 10.166 -6.604 -8.570 1.00 0.00 H new ATOM 0 HD21 LEU A 45 12.323 -8.796 -8.633 1.00 0.00 H new ATOM 0 HD22 LEU A 45 12.538 -7.205 -7.864 1.00 0.00 H new ATOM 0 HD23 LEU A 45 12.805 -8.692 -6.923 1.00 0.00 H new ATOM 682 N TYR A 46 10.909 -6.029 -3.369 1.00 0.00 N ATOM 683 CA TYR A 46 10.340 -5.352 -2.213 1.00 0.00 C ATOM 684 C TYR A 46 9.276 -4.363 -2.668 1.00 0.00 C ATOM 685 O TYR A 46 9.452 -3.661 -3.662 1.00 0.00 O ATOM 686 CB TYR A 46 11.432 -4.629 -1.422 1.00 0.00 C ATOM 687 CG TYR A 46 12.361 -5.565 -0.685 1.00 0.00 C ATOM 688 CD1 TYR A 46 13.256 -6.367 -1.376 1.00 0.00 C ATOM 689 CD2 TYR A 46 12.342 -5.647 0.702 1.00 0.00 C ATOM 690 CE1 TYR A 46 14.107 -7.230 -0.708 1.00 0.00 C ATOM 691 CE2 TYR A 46 13.189 -6.505 1.378 1.00 0.00 C ATOM 692 CZ TYR A 46 14.069 -7.293 0.667 1.00 0.00 C ATOM 693 OH TYR A 46 14.915 -8.149 1.337 1.00 0.00 O ATOM 0 H TYR A 46 11.390 -5.410 -4.022 1.00 0.00 H new ATOM 0 HA TYR A 46 9.881 -6.095 -1.561 1.00 0.00 H new ATOM 0 HB2 TYR A 46 12.017 -4.012 -2.105 1.00 0.00 H new ATOM 0 HB3 TYR A 46 10.964 -3.955 -0.705 1.00 0.00 H new ATOM 0 HD1 TYR A 46 13.290 -6.317 -2.454 1.00 0.00 H new ATOM 0 HD2 TYR A 46 11.654 -5.030 1.261 1.00 0.00 H new ATOM 0 HE1 TYR A 46 14.797 -7.850 -1.262 1.00 0.00 H new ATOM 0 HE2 TYR A 46 13.162 -6.558 2.456 1.00 0.00 H new ATOM 0 HH TYR A 46 14.497 -8.430 2.178 1.00 0.00 H new ATOM 703 N LYS A 47 8.172 -4.308 -1.940 1.00 0.00 N ATOM 704 CA LYS A 47 7.084 -3.400 -2.280 1.00 0.00 C ATOM 705 C LYS A 47 6.834 -2.416 -1.157 1.00 0.00 C ATOM 706 O LYS A 47 7.174 -2.672 -0.004 1.00 0.00 O ATOM 707 CB LYS A 47 5.806 -4.175 -2.592 1.00 0.00 C ATOM 708 CG LYS A 47 6.041 -5.410 -3.441 1.00 0.00 C ATOM 709 CD LYS A 47 6.163 -6.650 -2.577 1.00 0.00 C ATOM 710 CE LYS A 47 4.802 -7.253 -2.289 1.00 0.00 C ATOM 711 NZ LYS A 47 3.942 -6.337 -1.491 1.00 0.00 N ATOM 0 H LYS A 47 8.004 -4.879 -1.112 1.00 0.00 H new ATOM 0 HA LYS A 47 7.379 -2.845 -3.170 1.00 0.00 H new ATOM 0 HB2 LYS A 47 5.332 -4.472 -1.656 1.00 0.00 H new ATOM 0 HB3 LYS A 47 5.107 -3.516 -3.108 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.218 -5.533 -4.145 1.00 0.00 H new ATOM 0 HG3 LYS A 47 6.949 -5.283 -4.030 1.00 0.00 H new ATOM 0 HD2 LYS A 47 6.791 -7.386 -3.079 1.00 0.00 H new ATOM 0 HD3 LYS A 47 6.657 -6.396 -1.639 1.00 0.00 H new ATOM 0 HE2 LYS A 47 4.304 -7.490 -3.229 1.00 0.00 H new ATOM 0 HE3 LYS A 47 4.929 -8.192 -1.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 3.093 -6.847 -1.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 4.472 -5.997 -0.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 3.659 -5.527 -2.078 1.00 0.00 H new ATOM 725 N VAL A 48 6.246 -1.283 -1.508 1.00 0.00 N ATOM 726 CA VAL A 48 5.958 -0.247 -0.537 1.00 0.00 C ATOM 727 C VAL A 48 4.484 0.125 -0.545 1.00 0.00 C ATOM 728 O VAL A 48 3.988 0.750 -1.483 1.00 0.00 O ATOM 729 CB VAL A 48 6.822 0.996 -0.798 1.00 0.00 C ATOM 730 CG1 VAL A 48 6.539 2.085 0.232 1.00 0.00 C ATOM 731 CG2 VAL A 48 8.294 0.618 -0.789 1.00 0.00 C ATOM 0 H VAL A 48 5.960 -1.060 -2.461 1.00 0.00 H new ATOM 0 HA VAL A 48 6.201 -0.642 0.449 1.00 0.00 H new ATOM 0 HB VAL A 48 6.567 1.393 -1.781 1.00 0.00 H new ATOM 0 HG11 VAL A 48 7.164 2.954 0.024 1.00 0.00 H new ATOM 0 HG12 VAL A 48 5.489 2.372 0.179 1.00 0.00 H new ATOM 0 HG13 VAL A 48 6.762 1.708 1.230 1.00 0.00 H new ATOM 0 HG21 VAL A 48 8.899 1.506 -0.975 1.00 0.00 H new ATOM 0 HG22 VAL A 48 8.556 0.197 0.182 1.00 0.00 H new ATOM 0 HG23 VAL A 48 8.485 -0.121 -1.568 1.00 0.00 H new ATOM 741 N GLN A 49 3.790 -0.265 0.519 1.00 0.00 N ATOM 742 CA GLN A 49 2.372 0.021 0.660 1.00 0.00 C ATOM 743 C GLN A 49 2.148 1.098 1.713 1.00 0.00 C ATOM 744 O GLN A 49 2.815 1.117 2.748 1.00 0.00 O ATOM 745 CB GLN A 49 1.614 -1.253 1.041 1.00 0.00 C ATOM 746 CG GLN A 49 0.117 -1.173 0.791 1.00 0.00 C ATOM 747 CD GLN A 49 -0.590 -2.482 1.082 1.00 0.00 C ATOM 748 OE1 GLN A 49 -0.820 -2.836 2.239 1.00 0.00 O ATOM 749 NE2 GLN A 49 -0.941 -3.211 0.029 1.00 0.00 N ATOM 0 H GLN A 49 4.193 -0.783 1.300 1.00 0.00 H new ATOM 0 HA GLN A 49 1.994 0.386 -0.295 1.00 0.00 H new ATOM 0 HB2 GLN A 49 2.023 -2.091 0.476 1.00 0.00 H new ATOM 0 HB3 GLN A 49 1.786 -1.465 2.096 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -0.311 -0.387 1.413 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -0.060 -0.891 -0.247 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -0.731 -2.880 -0.913 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -1.420 -4.101 0.162 1.00 0.00 H new ATOM 758 N ILE A 50 1.202 1.991 1.445 1.00 0.00 N ATOM 759 CA ILE A 50 0.887 3.066 2.367 1.00 0.00 C ATOM 760 C ILE A 50 -0.622 3.242 2.529 1.00 0.00 C ATOM 761 O ILE A 50 -1.350 3.465 1.565 1.00 0.00 O ATOM 762 CB ILE A 50 1.545 4.385 1.934 1.00 0.00 C ATOM 763 CG1 ILE A 50 1.241 4.707 0.466 1.00 0.00 C ATOM 764 CG2 ILE A 50 3.047 4.284 2.156 1.00 0.00 C ATOM 765 CD1 ILE A 50 0.220 5.804 0.289 1.00 0.00 C ATOM 0 H ILE A 50 0.641 1.988 0.593 1.00 0.00 H new ATOM 0 HA ILE A 50 1.297 2.787 3.338 1.00 0.00 H new ATOM 0 HB ILE A 50 1.136 5.197 2.535 1.00 0.00 H new ATOM 0 HG12 ILE A 50 2.165 4.998 -0.033 1.00 0.00 H new ATOM 0 HG13 ILE A 50 0.882 3.804 -0.029 1.00 0.00 H new ATOM 0 HG21 ILE A 50 3.523 5.216 1.851 1.00 0.00 H new ATOM 0 HG22 ILE A 50 3.247 4.102 3.212 1.00 0.00 H new ATOM 0 HG23 ILE A 50 3.448 3.461 1.564 1.00 0.00 H new ATOM 0 HD11 ILE A 50 0.054 5.979 -0.774 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -0.718 5.507 0.759 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.585 6.719 0.755 1.00 0.00 H new ATOM 777 N GLY A 51 -1.060 3.141 3.774 1.00 0.00 N ATOM 778 CA GLY A 51 -2.464 3.289 4.107 1.00 0.00 C ATOM 779 C GLY A 51 -3.267 2.030 3.847 1.00 0.00 C ATOM 780 O GLY A 51 -3.576 1.707 2.700 1.00 0.00 O ATOM 0 H GLY A 51 -0.456 2.956 4.575 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.556 3.562 5.158 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -2.886 4.109 3.526 1.00 0.00 H new ATOM 784 N ALA A 52 -3.616 1.325 4.917 1.00 0.00 N ATOM 785 CA ALA A 52 -4.399 0.100 4.809 1.00 0.00 C ATOM 786 C ALA A 52 -5.614 0.162 5.729 1.00 0.00 C ATOM 787 O ALA A 52 -5.473 0.173 6.951 1.00 0.00 O ATOM 788 CB ALA A 52 -3.540 -1.111 5.141 1.00 0.00 C ATOM 0 H ALA A 52 -3.368 1.582 5.872 1.00 0.00 H new ATOM 0 HA ALA A 52 -4.749 0.003 3.781 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -4.140 -2.017 5.056 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -2.702 -1.164 4.446 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -3.162 -1.021 6.159 1.00 0.00 H new ATOM 794 N PHE A 53 -6.802 0.217 5.137 1.00 0.00 N ATOM 795 CA PHE A 53 -8.034 0.297 5.916 1.00 0.00 C ATOM 796 C PHE A 53 -9.055 -0.738 5.454 1.00 0.00 C ATOM 797 O PHE A 53 -8.873 -1.398 4.428 1.00 0.00 O ATOM 798 CB PHE A 53 -8.640 1.699 5.814 1.00 0.00 C ATOM 799 CG PHE A 53 -7.617 2.798 5.717 1.00 0.00 C ATOM 800 CD1 PHE A 53 -6.893 2.984 4.552 1.00 0.00 C ATOM 801 CD2 PHE A 53 -7.386 3.643 6.789 1.00 0.00 C ATOM 802 CE1 PHE A 53 -5.953 3.992 4.458 1.00 0.00 C ATOM 803 CE2 PHE A 53 -6.447 4.654 6.701 1.00 0.00 C ATOM 804 CZ PHE A 53 -5.729 4.828 5.534 1.00 0.00 C ATOM 0 H PHE A 53 -6.939 0.208 4.126 1.00 0.00 H new ATOM 0 HA PHE A 53 -7.780 0.087 6.955 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -9.289 1.741 4.939 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -9.269 1.877 6.686 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -7.065 2.334 3.707 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -7.945 3.511 7.704 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -5.394 4.126 3.544 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -6.275 5.307 7.544 1.00 0.00 H new ATOM 0 HZ PHE A 53 -4.994 5.616 5.463 1.00 0.00 H new ATOM 814 N SER A 54 -10.133 -0.866 6.221 1.00 0.00 N ATOM 815 CA SER A 54 -11.197 -1.809 5.900 1.00 0.00 C ATOM 816 C SER A 54 -12.136 -1.236 4.842 1.00 0.00 C ATOM 817 O SER A 54 -12.888 -1.973 4.205 1.00 0.00 O ATOM 818 CB SER A 54 -11.987 -2.164 7.162 1.00 0.00 C ATOM 819 OG SER A 54 -13.088 -3.003 6.855 1.00 0.00 O ATOM 0 H SER A 54 -10.292 -0.326 7.072 1.00 0.00 H new ATOM 0 HA SER A 54 -10.738 -2.712 5.498 1.00 0.00 H new ATOM 0 HB2 SER A 54 -11.333 -2.664 7.876 1.00 0.00 H new ATOM 0 HB3 SER A 54 -12.343 -1.252 7.641 1.00 0.00 H new ATOM 0 HG SER A 54 -13.576 -3.217 7.678 1.00 0.00 H new ATOM 825 N SER A 55 -12.089 0.082 4.657 1.00 0.00 N ATOM 826 CA SER A 55 -12.936 0.749 3.673 1.00 0.00 C ATOM 827 C SER A 55 -12.100 1.333 2.535 1.00 0.00 C ATOM 828 O SER A 55 -11.107 2.021 2.771 1.00 0.00 O ATOM 829 CB SER A 55 -13.755 1.855 4.340 1.00 0.00 C ATOM 830 OG SER A 55 -14.989 1.356 4.827 1.00 0.00 O ATOM 0 H SER A 55 -11.473 0.708 5.176 1.00 0.00 H new ATOM 0 HA SER A 55 -13.614 0.006 3.254 1.00 0.00 H new ATOM 0 HB2 SER A 55 -13.185 2.288 5.162 1.00 0.00 H new ATOM 0 HB3 SER A 55 -13.941 2.656 3.624 1.00 0.00 H new ATOM 0 HG SER A 55 -15.492 2.083 5.250 1.00 0.00 H new ATOM 836 N LYS A 56 -12.511 1.050 1.302 1.00 0.00 N ATOM 837 CA LYS A 56 -11.802 1.543 0.126 1.00 0.00 C ATOM 838 C LYS A 56 -11.699 3.065 0.136 1.00 0.00 C ATOM 839 O LYS A 56 -10.675 3.627 -0.247 1.00 0.00 O ATOM 840 CB LYS A 56 -12.500 1.089 -1.149 1.00 0.00 C ATOM 841 CG LYS A 56 -11.717 1.431 -2.404 1.00 0.00 C ATOM 842 CD LYS A 56 -11.811 0.322 -3.436 1.00 0.00 C ATOM 843 CE LYS A 56 -13.247 0.101 -3.886 1.00 0.00 C ATOM 844 NZ LYS A 56 -13.399 -1.164 -4.656 1.00 0.00 N ATOM 0 H LYS A 56 -13.332 0.482 1.092 1.00 0.00 H new ATOM 0 HA LYS A 56 -10.795 1.128 0.154 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -12.657 0.011 -1.107 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -13.485 1.553 -1.203 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -12.097 2.359 -2.830 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -10.672 1.603 -2.147 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -11.193 0.572 -4.298 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -11.414 -0.602 -3.016 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -13.901 0.076 -3.014 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -13.568 0.941 -4.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -14.392 -1.278 -4.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -12.794 -1.130 -5.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -13.117 -1.969 -4.061 1.00 0.00 H new ATOM 858 N ASP A 57 -12.767 3.727 0.575 1.00 0.00 N ATOM 859 CA ASP A 57 -12.795 5.188 0.630 1.00 0.00 C ATOM 860 C ASP A 57 -11.517 5.730 1.260 1.00 0.00 C ATOM 861 O ASP A 57 -11.051 6.816 0.918 1.00 0.00 O ATOM 862 CB ASP A 57 -14.013 5.669 1.423 1.00 0.00 C ATOM 863 CG ASP A 57 -14.147 4.968 2.759 1.00 0.00 C ATOM 864 OD1 ASP A 57 -13.177 4.997 3.545 1.00 0.00 O ATOM 865 OD2 ASP A 57 -15.224 4.391 3.022 1.00 0.00 O ATOM 0 H ASP A 57 -13.623 3.277 0.897 1.00 0.00 H new ATOM 0 HA ASP A 57 -12.866 5.564 -0.391 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -13.935 6.744 1.586 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -14.915 5.500 0.835 1.00 0.00 H new ATOM 870 N ASN A 58 -10.953 4.956 2.180 1.00 0.00 N ATOM 871 CA ASN A 58 -9.722 5.347 2.858 1.00 0.00 C ATOM 872 C ASN A 58 -8.537 5.241 1.906 1.00 0.00 C ATOM 873 O ASN A 58 -7.748 6.175 1.771 1.00 0.00 O ATOM 874 CB ASN A 58 -9.490 4.469 4.089 1.00 0.00 C ATOM 875 CG ASN A 58 -10.648 4.524 5.064 1.00 0.00 C ATOM 876 OD1 ASN A 58 -11.302 3.516 5.327 1.00 0.00 O ATOM 877 ND2 ASN A 58 -10.907 5.709 5.609 1.00 0.00 N ATOM 0 H ASN A 58 -11.328 4.054 2.474 1.00 0.00 H new ATOM 0 HA ASN A 58 -9.819 6.383 3.182 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -9.334 3.438 3.772 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -8.578 4.789 4.593 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -11.674 5.808 6.274 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -10.339 6.519 5.362 1.00 0.00 H new ATOM 884 N ALA A 59 -8.427 4.095 1.242 1.00 0.00 N ATOM 885 CA ALA A 59 -7.347 3.858 0.290 1.00 0.00 C ATOM 886 C ALA A 59 -7.334 4.920 -0.800 1.00 0.00 C ATOM 887 O ALA A 59 -6.277 5.418 -1.174 1.00 0.00 O ATOM 888 CB ALA A 59 -7.492 2.476 -0.324 1.00 0.00 C ATOM 0 H ALA A 59 -9.074 3.314 1.346 1.00 0.00 H new ATOM 0 HA ALA A 59 -6.400 3.915 0.826 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -6.682 2.306 -1.034 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -7.449 1.722 0.462 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -8.449 2.406 -0.842 1.00 0.00 H new ATOM 894 N ASP A 60 -8.513 5.259 -1.312 1.00 0.00 N ATOM 895 CA ASP A 60 -8.627 6.263 -2.365 1.00 0.00 C ATOM 896 C ASP A 60 -8.086 7.608 -1.893 1.00 0.00 C ATOM 897 O ASP A 60 -7.281 8.240 -2.577 1.00 0.00 O ATOM 898 CB ASP A 60 -10.085 6.410 -2.801 1.00 0.00 C ATOM 899 CG ASP A 60 -10.578 5.207 -3.581 1.00 0.00 C ATOM 900 OD1 ASP A 60 -10.130 4.081 -3.283 1.00 0.00 O ATOM 901 OD2 ASP A 60 -11.415 5.393 -4.491 1.00 0.00 O ATOM 0 H ASP A 60 -9.401 4.854 -1.016 1.00 0.00 H new ATOM 0 HA ASP A 60 -8.033 5.932 -3.216 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -10.712 6.551 -1.921 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -10.190 7.305 -3.414 1.00 0.00 H new ATOM 906 N THR A 61 -8.535 8.041 -0.719 1.00 0.00 N ATOM 907 CA THR A 61 -8.095 9.312 -0.154 1.00 0.00 C ATOM 908 C THR A 61 -6.587 9.318 0.060 1.00 0.00 C ATOM 909 O THR A 61 -5.927 10.342 -0.118 1.00 0.00 O ATOM 910 CB THR A 61 -8.813 9.582 1.169 1.00 0.00 C ATOM 911 OG1 THR A 61 -10.169 9.179 1.096 1.00 0.00 O ATOM 912 CG2 THR A 61 -8.788 11.038 1.577 1.00 0.00 C ATOM 0 H THR A 61 -9.203 7.531 -0.141 1.00 0.00 H new ATOM 0 HA THR A 61 -8.346 10.102 -0.862 1.00 0.00 H new ATOM 0 HB THR A 61 -8.269 9.003 1.915 1.00 0.00 H new ATOM 0 HG1 THR A 61 -10.255 8.260 1.426 1.00 0.00 H new ATOM 0 HG21 THR A 61 -9.315 11.160 2.524 1.00 0.00 H new ATOM 0 HG22 THR A 61 -7.755 11.366 1.692 1.00 0.00 H new ATOM 0 HG23 THR A 61 -9.277 11.639 0.810 1.00 0.00 H new ATOM 920 N LEU A 62 -6.043 8.163 0.429 1.00 0.00 N ATOM 921 CA LEU A 62 -4.608 8.020 0.656 1.00 0.00 C ATOM 922 C LEU A 62 -3.867 8.100 -0.649 1.00 0.00 C ATOM 923 O LEU A 62 -2.909 8.856 -0.807 1.00 0.00 O ATOM 924 CB LEU A 62 -4.303 6.650 1.248 1.00 0.00 C ATOM 925 CG LEU A 62 -3.093 6.598 2.173 1.00 0.00 C ATOM 926 CD1 LEU A 62 -1.929 7.361 1.565 1.00 0.00 C ATOM 927 CD2 LEU A 62 -3.444 7.158 3.544 1.00 0.00 C ATOM 0 H LEU A 62 -6.577 7.307 0.578 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.299 8.817 1.333 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.178 6.308 1.801 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -4.146 5.946 0.431 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.796 5.557 2.296 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.073 7.315 2.238 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.663 6.915 0.607 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.215 8.402 1.414 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.568 7.113 4.191 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.767 8.194 3.442 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -4.249 6.569 3.982 1.00 0.00 H new ATOM 939 N ALA A 63 -4.310 7.266 -1.574 1.00 0.00 N ATOM 940 CA ALA A 63 -3.690 7.177 -2.865 1.00 0.00 C ATOM 941 C ALA A 63 -3.623 8.547 -3.532 1.00 0.00 C ATOM 942 O ALA A 63 -2.544 9.042 -3.854 1.00 0.00 O ATOM 943 CB ALA A 63 -4.428 6.182 -3.747 1.00 0.00 C ATOM 0 H ALA A 63 -5.104 6.640 -1.443 1.00 0.00 H new ATOM 0 HA ALA A 63 -2.669 6.820 -2.728 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -3.942 6.129 -4.721 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -4.410 5.198 -3.279 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -5.461 6.505 -3.874 1.00 0.00 H new ATOM 949 N ALA A 64 -4.792 9.158 -3.723 1.00 0.00 N ATOM 950 CA ALA A 64 -4.875 10.477 -4.339 1.00 0.00 C ATOM 951 C ALA A 64 -3.939 11.451 -3.636 1.00 0.00 C ATOM 952 O ALA A 64 -3.299 12.287 -4.275 1.00 0.00 O ATOM 953 CB ALA A 64 -6.307 10.993 -4.298 1.00 0.00 C ATOM 0 H ALA A 64 -5.693 8.759 -3.459 1.00 0.00 H new ATOM 0 HA ALA A 64 -4.567 10.392 -5.381 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -6.352 11.978 -4.762 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -6.957 10.307 -4.841 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -6.639 11.064 -3.262 1.00 0.00 H new ATOM 959 N ARG A 65 -3.846 11.317 -2.316 1.00 0.00 N ATOM 960 CA ARG A 65 -2.969 12.165 -1.526 1.00 0.00 C ATOM 961 C ARG A 65 -1.519 11.895 -1.898 1.00 0.00 C ATOM 962 O ARG A 65 -0.702 12.814 -1.975 1.00 0.00 O ATOM 963 CB ARG A 65 -3.187 11.899 -0.037 1.00 0.00 C ATOM 964 CG ARG A 65 -2.898 13.096 0.851 1.00 0.00 C ATOM 965 CD ARG A 65 -3.298 12.824 2.290 1.00 0.00 C ATOM 966 NE ARG A 65 -3.984 13.965 2.895 1.00 0.00 N ATOM 967 CZ ARG A 65 -3.357 15.038 3.374 1.00 0.00 C ATOM 968 NH1 ARG A 65 -2.032 15.123 3.319 1.00 0.00 N ATOM 969 NH2 ARG A 65 -4.056 16.029 3.910 1.00 0.00 N ATOM 0 H ARG A 65 -4.368 10.629 -1.774 1.00 0.00 H new ATOM 0 HA ARG A 65 -3.200 13.210 -1.734 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -4.219 11.585 0.118 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -2.551 11.069 0.271 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -1.836 13.337 0.806 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -3.439 13.966 0.479 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -3.948 11.950 2.326 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -2.409 12.585 2.874 1.00 0.00 H new ATOM 0 HE ARG A 65 -5.002 13.938 2.954 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -1.489 14.364 2.908 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -1.558 15.948 3.688 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -5.073 15.969 3.955 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -3.576 16.851 4.277 1.00 0.00 H new ATOM 983 N ALA A 66 -1.211 10.625 -2.149 1.00 0.00 N ATOM 984 CA ALA A 66 0.130 10.230 -2.538 1.00 0.00 C ATOM 985 C ALA A 66 0.469 10.827 -3.890 1.00 0.00 C ATOM 986 O ALA A 66 1.566 11.342 -4.096 1.00 0.00 O ATOM 987 CB ALA A 66 0.258 8.714 -2.561 1.00 0.00 C ATOM 0 H ALA A 66 -1.877 9.855 -2.088 1.00 0.00 H new ATOM 0 HA ALA A 66 0.839 10.610 -1.803 1.00 0.00 H new ATOM 0 HB1 ALA A 66 1.271 8.439 -2.855 1.00 0.00 H new ATOM 0 HB2 ALA A 66 0.048 8.316 -1.568 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -0.453 8.300 -3.276 1.00 0.00 H new ATOM 993 N LYS A 67 -0.494 10.780 -4.804 1.00 0.00 N ATOM 994 CA LYS A 67 -0.302 11.343 -6.131 1.00 0.00 C ATOM 995 C LYS A 67 -0.041 12.837 -6.021 1.00 0.00 C ATOM 996 O LYS A 67 0.893 13.366 -6.624 1.00 0.00 O ATOM 997 CB LYS A 67 -1.528 11.081 -7.008 1.00 0.00 C ATOM 998 CG LYS A 67 -1.729 9.614 -7.353 1.00 0.00 C ATOM 999 CD LYS A 67 -3.135 9.350 -7.866 1.00 0.00 C ATOM 1000 CE LYS A 67 -3.335 7.888 -8.227 1.00 0.00 C ATOM 1001 NZ LYS A 67 -3.491 7.693 -9.696 1.00 0.00 N ATOM 0 H LYS A 67 -1.410 10.360 -4.649 1.00 0.00 H new ATOM 0 HA LYS A 67 0.559 10.864 -6.596 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -2.416 11.450 -6.495 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -1.433 11.653 -7.931 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -1.003 9.314 -8.108 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -1.542 9.003 -6.470 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -3.860 9.640 -7.106 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -3.326 9.971 -8.742 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -2.484 7.307 -7.872 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -4.218 7.505 -7.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -3.625 6.682 -9.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -4.319 8.226 -10.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -2.638 8.034 -10.184 1.00 0.00 H new ATOM 1015 N ASN A 68 -0.860 13.506 -5.218 1.00 0.00 N ATOM 1016 CA ASN A 68 -0.709 14.937 -4.990 1.00 0.00 C ATOM 1017 C ASN A 68 0.552 15.196 -4.172 1.00 0.00 C ATOM 1018 O ASN A 68 1.142 16.273 -4.237 1.00 0.00 O ATOM 1019 CB ASN A 68 -1.934 15.487 -4.259 1.00 0.00 C ATOM 1020 CG ASN A 68 -2.146 16.967 -4.517 1.00 0.00 C ATOM 1021 OD1 ASN A 68 -2.679 17.357 -5.555 1.00 0.00 O ATOM 1022 ND2 ASN A 68 -1.729 17.797 -3.569 1.00 0.00 N ATOM 0 H ASN A 68 -1.637 13.079 -4.713 1.00 0.00 H new ATOM 0 HA ASN A 68 -0.621 15.444 -5.951 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -2.820 14.936 -4.574 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -1.820 15.321 -3.188 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -1.845 18.804 -3.685 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -1.292 17.428 -2.724 1.00 0.00 H new ATOM 1029 N ALA A 69 0.954 14.186 -3.403 1.00 0.00 N ATOM 1030 CA ALA A 69 2.140 14.270 -2.564 1.00 0.00 C ATOM 1031 C ALA A 69 3.413 14.105 -3.387 1.00 0.00 C ATOM 1032 O ALA A 69 4.489 14.538 -2.978 1.00 0.00 O ATOM 1033 CB ALA A 69 2.080 13.207 -1.479 1.00 0.00 C ATOM 0 H ALA A 69 0.467 13.292 -3.346 1.00 0.00 H new ATOM 0 HA ALA A 69 2.162 15.258 -2.104 1.00 0.00 H new ATOM 0 HB1 ALA A 69 2.970 13.274 -0.854 1.00 0.00 H new ATOM 0 HB2 ALA A 69 1.193 13.363 -0.865 1.00 0.00 H new ATOM 0 HB3 ALA A 69 2.034 12.220 -1.939 1.00 0.00 H new ATOM 1039 N GLY A 70 3.285 13.463 -4.545 1.00 0.00 N ATOM 1040 CA GLY A 70 4.430 13.238 -5.401 1.00 0.00 C ATOM 1041 C GLY A 70 4.788 11.769 -5.475 1.00 0.00 C ATOM 1042 O GLY A 70 5.932 11.411 -5.751 1.00 0.00 O ATOM 0 H GLY A 70 2.404 13.095 -4.904 1.00 0.00 H new ATOM 0 HA2 GLY A 70 4.216 13.612 -6.402 1.00 0.00 H new ATOM 0 HA3 GLY A 70 5.283 13.803 -5.025 1.00 0.00 H new ATOM 1046 N PHE A 71 3.800 10.919 -5.211 1.00 0.00 N ATOM 1047 CA PHE A 71 3.995 9.480 -5.230 1.00 0.00 C ATOM 1048 C PHE A 71 2.901 8.817 -6.056 1.00 0.00 C ATOM 1049 O PHE A 71 1.775 9.306 -6.104 1.00 0.00 O ATOM 1050 CB PHE A 71 3.962 8.937 -3.802 1.00 0.00 C ATOM 1051 CG PHE A 71 4.468 9.911 -2.773 1.00 0.00 C ATOM 1052 CD1 PHE A 71 5.705 10.515 -2.922 1.00 0.00 C ATOM 1053 CD2 PHE A 71 3.698 10.231 -1.661 1.00 0.00 C ATOM 1054 CE1 PHE A 71 6.170 11.417 -1.983 1.00 0.00 C ATOM 1055 CE2 PHE A 71 4.158 11.132 -0.720 1.00 0.00 C ATOM 1056 CZ PHE A 71 5.396 11.727 -0.882 1.00 0.00 C ATOM 0 H PHE A 71 2.850 11.209 -4.980 1.00 0.00 H new ATOM 0 HA PHE A 71 4.963 9.258 -5.679 1.00 0.00 H new ATOM 0 HB2 PHE A 71 2.938 8.658 -3.553 1.00 0.00 H new ATOM 0 HB3 PHE A 71 4.561 8.028 -3.754 1.00 0.00 H new ATOM 0 HD1 PHE A 71 6.314 10.279 -3.782 1.00 0.00 H new ATOM 0 HD2 PHE A 71 2.730 9.770 -1.531 1.00 0.00 H new ATOM 0 HE1 PHE A 71 7.138 11.879 -2.110 1.00 0.00 H new ATOM 0 HE2 PHE A 71 3.552 11.371 0.141 1.00 0.00 H new ATOM 0 HZ PHE A 71 5.757 12.433 -0.149 1.00 0.00 H new ATOM 1066 N ASP A 72 3.223 7.706 -6.698 1.00 0.00 N ATOM 1067 CA ASP A 72 2.244 6.998 -7.513 1.00 0.00 C ATOM 1068 C ASP A 72 1.531 5.930 -6.695 1.00 0.00 C ATOM 1069 O ASP A 72 1.783 4.739 -6.870 1.00 0.00 O ATOM 1070 CB ASP A 72 2.923 6.364 -8.727 1.00 0.00 C ATOM 1071 CG ASP A 72 1.930 5.961 -9.801 1.00 0.00 C ATOM 1072 OD1 ASP A 72 1.410 6.859 -10.494 1.00 0.00 O ATOM 1073 OD2 ASP A 72 1.674 4.746 -9.947 1.00 0.00 O ATOM 0 H ASP A 72 4.147 7.276 -6.673 1.00 0.00 H new ATOM 0 HA ASP A 72 1.503 7.719 -7.859 1.00 0.00 H new ATOM 0 HB2 ASP A 72 3.642 7.068 -9.146 1.00 0.00 H new ATOM 0 HB3 ASP A 72 3.485 5.486 -8.408 1.00 0.00 H new ATOM 1078 N ALA A 73 0.635 6.354 -5.803 1.00 0.00 N ATOM 1079 CA ALA A 73 -0.105 5.414 -4.969 1.00 0.00 C ATOM 1080 C ALA A 73 -1.359 4.903 -5.672 1.00 0.00 C ATOM 1081 O ALA A 73 -2.063 5.657 -6.343 1.00 0.00 O ATOM 1082 CB ALA A 73 -0.483 6.061 -3.647 1.00 0.00 C ATOM 0 H ALA A 73 0.407 7.335 -5.642 1.00 0.00 H new ATOM 0 HA ALA A 73 0.548 4.562 -4.780 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -1.035 5.346 -3.037 1.00 0.00 H new ATOM 0 HB2 ALA A 73 0.421 6.367 -3.120 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -1.107 6.935 -3.835 1.00 0.00 H new ATOM 1088 N ILE A 74 -1.633 3.617 -5.496 1.00 0.00 N ATOM 1089 CA ILE A 74 -2.804 2.985 -6.088 1.00 0.00 C ATOM 1090 C ILE A 74 -3.528 2.145 -5.042 1.00 0.00 C ATOM 1091 O ILE A 74 -2.909 1.652 -4.103 1.00 0.00 O ATOM 1092 CB ILE A 74 -2.424 2.093 -7.284 1.00 0.00 C ATOM 1093 CG1 ILE A 74 -1.370 1.062 -6.868 1.00 0.00 C ATOM 1094 CG2 ILE A 74 -1.918 2.943 -8.439 1.00 0.00 C ATOM 1095 CD1 ILE A 74 -1.814 -0.371 -7.071 1.00 0.00 C ATOM 0 H ILE A 74 -1.054 2.986 -4.942 1.00 0.00 H new ATOM 0 HA ILE A 74 -3.460 3.778 -6.448 1.00 0.00 H new ATOM 0 HB ILE A 74 -3.314 1.558 -7.616 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -0.458 1.236 -7.439 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -1.122 1.212 -5.817 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -1.653 2.298 -9.277 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -2.699 3.638 -8.749 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -1.039 3.503 -8.121 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -1.019 -1.046 -6.756 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -2.709 -0.562 -6.478 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -2.035 -0.538 -8.125 1.00 0.00 H new ATOM 1107 N VAL A 75 -4.832 1.976 -5.207 1.00 0.00 N ATOM 1108 CA VAL A 75 -5.613 1.186 -4.260 1.00 0.00 C ATOM 1109 C VAL A 75 -5.899 -0.203 -4.812 1.00 0.00 C ATOM 1110 O VAL A 75 -6.224 -0.362 -5.989 1.00 0.00 O ATOM 1111 CB VAL A 75 -6.939 1.883 -3.895 1.00 0.00 C ATOM 1112 CG1 VAL A 75 -7.795 0.990 -3.002 1.00 0.00 C ATOM 1113 CG2 VAL A 75 -6.665 3.216 -3.214 1.00 0.00 C ATOM 0 H VAL A 75 -5.369 2.370 -5.979 1.00 0.00 H new ATOM 0 HA VAL A 75 -5.014 1.092 -3.355 1.00 0.00 H new ATOM 0 HB VAL A 75 -7.493 2.070 -4.815 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -8.725 1.504 -2.758 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -8.020 0.061 -3.525 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -7.252 0.767 -2.083 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -7.610 3.697 -2.962 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -6.089 3.048 -2.304 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -6.099 3.859 -3.888 1.00 0.00 H new ATOM 1123 N ILE A 76 -5.779 -1.208 -3.952 1.00 0.00 N ATOM 1124 CA ILE A 76 -6.024 -2.585 -4.352 1.00 0.00 C ATOM 1125 C ILE A 76 -6.741 -3.361 -3.252 1.00 0.00 C ATOM 1126 O ILE A 76 -6.417 -3.232 -2.067 1.00 0.00 O ATOM 1127 CB ILE A 76 -4.710 -3.310 -4.700 1.00 0.00 C ATOM 1128 CG1 ILE A 76 -3.674 -3.094 -3.595 1.00 0.00 C ATOM 1129 CG2 ILE A 76 -4.175 -2.824 -6.037 1.00 0.00 C ATOM 1130 CD1 ILE A 76 -2.619 -4.176 -3.538 1.00 0.00 C ATOM 0 H ILE A 76 -5.513 -1.093 -2.974 1.00 0.00 H new ATOM 0 HA ILE A 76 -6.658 -2.547 -5.238 1.00 0.00 H new ATOM 0 HB ILE A 76 -4.912 -4.378 -4.778 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -3.187 -2.131 -3.747 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -4.185 -3.045 -2.633 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -3.246 -3.346 -6.269 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -4.909 -3.025 -6.817 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -3.986 -1.752 -5.985 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -1.918 -3.959 -2.732 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -3.095 -5.139 -3.355 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -2.082 -4.211 -4.486 1.00 0.00 H new ATOM 1142 N LEU A 77 -7.716 -4.169 -3.660 1.00 0.00 N ATOM 1143 CA LEU A 77 -8.489 -4.978 -2.728 1.00 0.00 C ATOM 1144 C LEU A 77 -7.842 -6.352 -2.556 1.00 0.00 C ATOM 1145 O LEU A 77 -7.895 -7.188 -3.456 1.00 0.00 O ATOM 1146 CB LEU A 77 -9.930 -5.123 -3.233 1.00 0.00 C ATOM 1147 CG LEU A 77 -10.716 -6.303 -2.656 1.00 0.00 C ATOM 1148 CD1 LEU A 77 -10.838 -6.179 -1.144 1.00 0.00 C ATOM 1149 CD2 LEU A 77 -12.091 -6.392 -3.301 1.00 0.00 C ATOM 0 H LEU A 77 -7.989 -4.280 -4.637 1.00 0.00 H new ATOM 0 HA LEU A 77 -8.506 -4.482 -1.758 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -10.470 -4.204 -3.006 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -9.908 -5.220 -4.318 1.00 0.00 H new ATOM 0 HG LEU A 77 -10.172 -7.221 -2.879 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -11.400 -7.027 -0.754 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -9.843 -6.167 -0.699 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -11.358 -5.254 -0.896 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -12.637 -7.236 -2.880 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -12.643 -5.472 -3.110 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -11.980 -6.532 -4.376 1.00 0.00 H new ATOM 1161 N GLU A 78 -7.226 -6.573 -1.399 1.00 0.00 N ATOM 1162 CA GLU A 78 -6.565 -7.842 -1.116 1.00 0.00 C ATOM 1163 C GLU A 78 -7.439 -8.731 -0.240 1.00 0.00 C ATOM 1164 O GLU A 78 -7.866 -8.327 0.842 1.00 0.00 O ATOM 1165 CB GLU A 78 -5.219 -7.600 -0.433 1.00 0.00 C ATOM 1166 CG GLU A 78 -4.240 -6.805 -1.282 1.00 0.00 C ATOM 1167 CD GLU A 78 -2.795 -7.162 -0.994 1.00 0.00 C ATOM 1168 OE1 GLU A 78 -2.442 -8.354 -1.113 1.00 0.00 O ATOM 1169 OE2 GLU A 78 -2.015 -6.249 -0.648 1.00 0.00 O ATOM 0 H GLU A 78 -7.171 -5.891 -0.643 1.00 0.00 H new ATOM 0 HA GLU A 78 -6.397 -8.352 -2.065 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -5.387 -7.071 0.505 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -4.771 -8.561 -0.181 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -4.451 -6.983 -2.336 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -4.390 -5.740 -1.102 1.00 0.00 H new ATOM 1176 N SER A 79 -7.700 -9.947 -0.713 1.00 0.00 N ATOM 1177 CA SER A 79 -8.524 -10.897 0.028 1.00 0.00 C ATOM 1178 C SER A 79 -7.932 -11.171 1.407 1.00 0.00 C ATOM 1179 O SER A 79 -6.795 -10.719 1.664 1.00 0.00 O ATOM 1180 CB SER A 79 -8.655 -12.206 -0.753 1.00 0.00 C ATOM 1181 OG SER A 79 -9.953 -12.756 -0.611 1.00 0.00 O ATOM 1182 OXT SER A 79 -8.610 -11.837 2.218 1.00 0.00 O ATOM 0 H SER A 79 -7.353 -10.297 -1.606 1.00 0.00 H new ATOM 0 HA SER A 79 -9.513 -10.458 0.158 1.00 0.00 H new ATOM 0 HB2 SER A 79 -8.446 -12.027 -1.808 1.00 0.00 H new ATOM 0 HB3 SER A 79 -7.913 -12.921 -0.398 1.00 0.00 H new ATOM 0 HG SER A 79 -10.584 -12.047 -0.368 1.00 0.00 H new TER 1188 SER A 79