USER MOD reduce.3.24.130724 H: found=0, std=0, add=404, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 406 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 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot 111:sc= 0.745 USER MOD Single : A 98 SER OG : rot 180:sc= 0.836 USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=-0.00091) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 GLN : amide:sc= -0.0612 X(o=-0.061,f=0) USER MOD Single : A 105 MET CE :methyl 168:sc= -2.3! (180deg=-2.45!) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 122 THR OG1 : rot 180:sc= -0.383 USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 130 SER OG : rot -127:sc= 0.916 USER MOD Single : A 131 ASN : amide:sc= -1.46 K(o=-1.5,f=-9!) USER MOD Single : A 132 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 39 N ILE A 81 10.931 -1.796 1.238 1.00 0.00 N ATOM 40 CA ILE A 81 9.851 -1.931 0.219 1.00 0.00 C ATOM 41 C ILE A 81 8.664 -1.054 0.612 1.00 0.00 C ATOM 42 O ILE A 81 7.551 -1.520 0.706 1.00 0.00 O ATOM 43 CB ILE A 81 9.452 -3.410 0.177 1.00 0.00 C ATOM 44 CG1 ILE A 81 8.919 -3.870 1.563 1.00 0.00 C ATOM 45 CG2 ILE A 81 10.650 -4.249 -0.298 1.00 0.00 C ATOM 46 CD1 ILE A 81 10.025 -4.467 2.458 1.00 0.00 C ATOM 0 HA ILE A 81 10.189 -1.607 -0.766 1.00 0.00 H new ATOM 0 HB ILE A 81 8.639 -3.554 -0.535 1.00 0.00 H new ATOM 0 HG12 ILE A 81 8.464 -3.021 2.073 1.00 0.00 H new ATOM 0 HG13 ILE A 81 8.134 -4.613 1.418 1.00 0.00 H new ATOM 0 HG21 ILE A 81 10.368 -5.301 -0.328 1.00 0.00 H new ATOM 0 HG22 ILE A 81 10.949 -3.925 -1.295 1.00 0.00 H new ATOM 0 HG23 ILE A 81 11.483 -4.117 0.392 1.00 0.00 H new ATOM 0 HD11 ILE A 81 9.596 -4.771 3.413 1.00 0.00 H new ATOM 0 HD12 ILE A 81 10.464 -5.334 1.965 1.00 0.00 H new ATOM 0 HD13 ILE A 81 10.798 -3.718 2.630 1.00 0.00 H new ATOM 58 N ILE A 82 8.881 0.222 0.833 1.00 0.00 N ATOM 59 CA ILE A 82 7.734 1.098 1.213 1.00 0.00 C ATOM 60 C ILE A 82 7.208 1.811 -0.021 1.00 0.00 C ATOM 61 O ILE A 82 7.909 1.965 -0.994 1.00 0.00 O ATOM 62 CB ILE A 82 8.274 2.101 2.241 1.00 0.00 C ATOM 63 CG1 ILE A 82 8.804 1.347 3.463 1.00 0.00 C ATOM 64 CG2 ILE A 82 7.149 3.051 2.682 1.00 0.00 C ATOM 65 CD1 ILE A 82 9.706 2.275 4.280 1.00 0.00 C ATOM 0 H ILE A 82 9.787 0.685 0.767 1.00 0.00 H new ATOM 0 HA ILE A 82 6.908 0.526 1.636 1.00 0.00 H new ATOM 0 HB ILE A 82 9.080 2.678 1.787 1.00 0.00 H new ATOM 0 HG12 ILE A 82 7.974 0.996 4.076 1.00 0.00 H new ATOM 0 HG13 ILE A 82 9.362 0.465 3.147 1.00 0.00 H new ATOM 0 HG21 ILE A 82 7.538 3.761 3.412 1.00 0.00 H new ATOM 0 HG22 ILE A 82 6.769 3.592 1.815 1.00 0.00 H new ATOM 0 HG23 ILE A 82 6.341 2.474 3.132 1.00 0.00 H new ATOM 0 HD11 ILE A 82 10.085 1.740 5.151 1.00 0.00 H new ATOM 0 HD12 ILE A 82 10.543 2.604 3.664 1.00 0.00 H new ATOM 0 HD13 ILE A 82 9.134 3.143 4.608 1.00 0.00 H new ATOM 77 N VAL A 83 5.979 2.242 0.020 1.00 0.00 N ATOM 78 CA VAL A 83 5.388 2.951 -1.143 1.00 0.00 C ATOM 79 C VAL A 83 4.528 4.121 -0.649 1.00 0.00 C ATOM 80 O VAL A 83 4.272 4.256 0.534 1.00 0.00 O ATOM 81 CB VAL A 83 4.515 1.902 -1.854 1.00 0.00 C ATOM 82 CG1 VAL A 83 5.371 0.719 -2.322 1.00 0.00 C ATOM 83 CG2 VAL A 83 3.426 1.393 -0.903 1.00 0.00 C ATOM 0 H VAL A 83 5.354 2.131 0.819 1.00 0.00 H new ATOM 0 HA VAL A 83 6.145 3.362 -1.810 1.00 0.00 H new ATOM 0 HB VAL A 83 4.052 2.373 -2.721 1.00 0.00 H new ATOM 0 HG11 VAL A 83 4.737 -0.013 -2.823 1.00 0.00 H new ATOM 0 HG12 VAL A 83 6.134 1.074 -3.016 1.00 0.00 H new ATOM 0 HG13 VAL A 83 5.852 0.254 -1.461 1.00 0.00 H new ATOM 0 HG21 VAL A 83 2.813 0.651 -1.415 1.00 0.00 H new ATOM 0 HG22 VAL A 83 3.891 0.938 -0.028 1.00 0.00 H new ATOM 0 HG23 VAL A 83 2.799 2.227 -0.589 1.00 0.00 H new ATOM 93 N VAL A 84 4.060 4.945 -1.547 1.00 0.00 N ATOM 94 CA VAL A 84 3.190 6.083 -1.135 1.00 0.00 C ATOM 95 C VAL A 84 1.937 6.090 -2.012 1.00 0.00 C ATOM 96 O VAL A 84 2.018 6.183 -3.228 1.00 0.00 O ATOM 97 CB VAL A 84 4.037 7.365 -1.309 1.00 0.00 C ATOM 98 CG1 VAL A 84 4.184 7.744 -2.786 1.00 0.00 C ATOM 99 CG2 VAL A 84 3.350 8.522 -0.583 1.00 0.00 C ATOM 0 H VAL A 84 4.243 4.879 -2.548 1.00 0.00 H new ATOM 0 HA VAL A 84 2.854 6.008 -0.101 1.00 0.00 H new ATOM 0 HB VAL A 84 5.027 7.173 -0.895 1.00 0.00 H new ATOM 0 HG11 VAL A 84 4.785 8.649 -2.871 1.00 0.00 H new ATOM 0 HG12 VAL A 84 4.674 6.932 -3.323 1.00 0.00 H new ATOM 0 HG13 VAL A 84 3.198 7.921 -3.216 1.00 0.00 H new ATOM 0 HG21 VAL A 84 3.942 9.429 -0.702 1.00 0.00 H new ATOM 0 HG22 VAL A 84 2.358 8.679 -1.006 1.00 0.00 H new ATOM 0 HG23 VAL A 84 3.260 8.284 0.477 1.00 0.00 H new ATOM 109 N ALA A 85 0.782 5.978 -1.413 1.00 0.00 N ATOM 110 CA ALA A 85 -0.470 5.980 -2.218 1.00 0.00 C ATOM 111 C ALA A 85 -0.602 7.313 -2.934 1.00 0.00 C ATOM 112 O ALA A 85 -0.685 8.351 -2.299 1.00 0.00 O ATOM 113 CB ALA A 85 -1.605 5.825 -1.220 1.00 0.00 C ATOM 0 H ALA A 85 0.653 5.886 -0.405 1.00 0.00 H new ATOM 0 HA ALA A 85 -0.477 5.185 -2.964 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -2.557 5.819 -1.750 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -1.486 4.888 -0.677 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -1.587 6.657 -0.516 1.00 0.00 H new ATOM 119 N LEU A 86 -0.616 7.282 -4.242 1.00 0.00 N ATOM 120 CA LEU A 86 -0.729 8.541 -5.029 1.00 0.00 C ATOM 121 C LEU A 86 -2.189 8.834 -5.398 1.00 0.00 C ATOM 122 O LEU A 86 -2.470 9.802 -6.075 1.00 0.00 O ATOM 123 CB LEU A 86 0.089 8.285 -6.297 1.00 0.00 C ATOM 124 CG LEU A 86 1.579 8.318 -5.960 1.00 0.00 C ATOM 125 CD1 LEU A 86 2.384 7.822 -7.162 1.00 0.00 C ATOM 126 CD2 LEU A 86 1.993 9.751 -5.629 1.00 0.00 C ATOM 0 H LEU A 86 -0.553 6.431 -4.800 1.00 0.00 H new ATOM 0 HA LEU A 86 -0.372 9.401 -4.463 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -0.176 7.318 -6.724 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -0.141 9.040 -7.049 1.00 0.00 H new ATOM 0 HG LEU A 86 1.772 7.675 -5.102 1.00 0.00 H new ATOM 0 HD11 LEU A 86 3.447 7.845 -6.923 1.00 0.00 H new ATOM 0 HD12 LEU A 86 2.088 6.801 -7.402 1.00 0.00 H new ATOM 0 HD13 LEU A 86 2.191 8.466 -8.020 1.00 0.00 H new ATOM 0 HD21 LEU A 86 3.056 9.776 -5.388 1.00 0.00 H new ATOM 0 HD22 LEU A 86 1.800 10.393 -6.488 1.00 0.00 H new ATOM 0 HD23 LEU A 86 1.419 10.107 -4.774 1.00 0.00 H new ATOM 138 N TYR A 87 -3.124 8.015 -4.958 1.00 0.00 N ATOM 139 CA TYR A 87 -4.571 8.264 -5.276 1.00 0.00 C ATOM 140 C TYR A 87 -5.434 7.633 -4.179 1.00 0.00 C ATOM 141 O TYR A 87 -5.032 6.681 -3.539 1.00 0.00 O ATOM 142 CB TYR A 87 -4.852 7.584 -6.628 1.00 0.00 C ATOM 143 CG TYR A 87 -3.861 8.053 -7.665 1.00 0.00 C ATOM 144 CD1 TYR A 87 -4.030 9.294 -8.290 1.00 0.00 C ATOM 145 CD2 TYR A 87 -2.759 7.251 -7.983 1.00 0.00 C ATOM 146 CE1 TYR A 87 -3.094 9.732 -9.236 1.00 0.00 C ATOM 147 CE2 TYR A 87 -1.826 7.686 -8.931 1.00 0.00 C ATOM 148 CZ TYR A 87 -1.992 8.927 -9.557 1.00 0.00 C ATOM 149 OH TYR A 87 -1.069 9.357 -10.487 1.00 0.00 O ATOM 0 H TYR A 87 -2.945 7.185 -4.392 1.00 0.00 H new ATOM 0 HA TYR A 87 -4.798 9.329 -5.328 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -4.789 6.501 -6.518 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -5.866 7.813 -6.954 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -4.880 9.913 -8.043 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -2.629 6.296 -7.496 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -3.221 10.690 -9.718 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -0.978 7.065 -9.179 1.00 0.00 H new ATOM 0 HH TYR A 87 -0.369 8.679 -10.590 1.00 0.00 H new ATOM 159 N ASP A 88 -6.610 8.159 -3.952 1.00 0.00 N ATOM 160 CA ASP A 88 -7.496 7.592 -2.886 1.00 0.00 C ATOM 161 C ASP A 88 -8.009 6.203 -3.297 1.00 0.00 C ATOM 162 O ASP A 88 -8.279 5.957 -4.457 1.00 0.00 O ATOM 163 CB ASP A 88 -8.663 8.572 -2.761 1.00 0.00 C ATOM 164 CG ASP A 88 -8.183 9.859 -2.084 1.00 0.00 C ATOM 165 OD1 ASP A 88 -7.529 9.756 -1.060 1.00 0.00 O ATOM 166 OD2 ASP A 88 -8.478 10.925 -2.601 1.00 0.00 O ATOM 0 H ASP A 88 -6.997 8.956 -4.457 1.00 0.00 H new ATOM 0 HA ASP A 88 -6.964 7.470 -1.942 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -9.069 8.798 -3.747 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -9.468 8.122 -2.180 1.00 0.00 H new ATOM 171 N TYR A 89 -8.153 5.298 -2.353 1.00 0.00 N ATOM 172 CA TYR A 89 -8.662 3.924 -2.698 1.00 0.00 C ATOM 173 C TYR A 89 -9.317 3.263 -1.477 1.00 0.00 C ATOM 174 O TYR A 89 -8.728 3.187 -0.417 1.00 0.00 O ATOM 175 CB TYR A 89 -7.430 3.127 -3.130 1.00 0.00 C ATOM 176 CG TYR A 89 -7.873 1.818 -3.746 1.00 0.00 C ATOM 177 CD1 TYR A 89 -8.520 1.810 -4.988 1.00 0.00 C ATOM 178 CD2 TYR A 89 -7.651 0.613 -3.066 1.00 0.00 C ATOM 179 CE1 TYR A 89 -8.944 0.599 -5.550 1.00 0.00 C ATOM 180 CE2 TYR A 89 -8.078 -0.599 -3.627 1.00 0.00 C ATOM 181 CZ TYR A 89 -8.724 -0.605 -4.870 1.00 0.00 C ATOM 182 OH TYR A 89 -9.145 -1.796 -5.424 1.00 0.00 O ATOM 0 H TYR A 89 -7.943 5.448 -1.366 1.00 0.00 H new ATOM 0 HA TYR A 89 -9.419 3.965 -3.481 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -6.845 3.701 -3.849 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -6.785 2.939 -2.272 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -8.692 2.738 -5.513 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -7.151 0.618 -2.109 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -9.441 0.594 -6.509 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -7.909 -1.527 -3.101 1.00 0.00 H new ATOM 0 HH TYR A 89 -8.365 -2.328 -5.687 1.00 0.00 H new ATOM 192 N GLU A 90 -10.529 2.779 -1.623 1.00 0.00 N ATOM 193 CA GLU A 90 -11.227 2.119 -0.474 1.00 0.00 C ATOM 194 C GLU A 90 -11.027 0.596 -0.517 1.00 0.00 C ATOM 195 O GLU A 90 -10.906 0.010 -1.578 1.00 0.00 O ATOM 196 CB GLU A 90 -12.713 2.472 -0.655 1.00 0.00 C ATOM 197 CG GLU A 90 -13.239 1.906 -1.988 1.00 0.00 C ATOM 198 CD GLU A 90 -13.824 3.033 -2.843 1.00 0.00 C ATOM 199 OE1 GLU A 90 -14.560 3.842 -2.301 1.00 0.00 O ATOM 200 OE2 GLU A 90 -13.529 3.064 -4.026 1.00 0.00 O ATOM 0 H GLU A 90 -11.065 2.813 -2.490 1.00 0.00 H new ATOM 0 HA GLU A 90 -10.838 2.457 0.487 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -13.293 2.067 0.174 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -12.842 3.554 -0.636 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -12.430 1.412 -2.527 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -14.002 1.151 -1.796 1.00 0.00 H new ATOM 207 N ALA A 91 -11.006 -0.048 0.629 1.00 0.00 N ATOM 208 CA ALA A 91 -10.827 -1.536 0.655 1.00 0.00 C ATOM 209 C ALA A 91 -11.959 -2.212 -0.126 1.00 0.00 C ATOM 210 O ALA A 91 -12.919 -1.575 -0.515 1.00 0.00 O ATOM 211 CB ALA A 91 -10.877 -1.942 2.134 1.00 0.00 C ATOM 0 H ALA A 91 -11.105 0.392 1.544 1.00 0.00 H new ATOM 0 HA ALA A 91 -9.887 -1.839 0.194 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -10.752 -3.021 2.219 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -10.076 -1.440 2.676 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -11.839 -1.654 2.558 1.00 0.00 H new ATOM 285 N ASP A 96 -7.862 -6.469 2.741 1.00 0.00 N ATOM 286 CA ASP A 96 -7.780 -5.227 1.909 1.00 0.00 C ATOM 287 C ASP A 96 -7.391 -4.023 2.780 1.00 0.00 C ATOM 288 O ASP A 96 -7.310 -4.130 3.990 1.00 0.00 O ATOM 289 CB ASP A 96 -9.194 -5.051 1.338 1.00 0.00 C ATOM 290 CG ASP A 96 -10.229 -4.920 2.470 1.00 0.00 C ATOM 291 OD1 ASP A 96 -9.834 -4.932 3.627 1.00 0.00 O ATOM 292 OD2 ASP A 96 -11.402 -4.819 2.156 1.00 0.00 O ATOM 0 HA ASP A 96 -7.026 -5.299 1.125 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -9.227 -4.165 0.704 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -9.445 -5.904 0.707 1.00 0.00 H new ATOM 297 N LEU A 97 -7.150 -2.881 2.178 1.00 0.00 N ATOM 298 CA LEU A 97 -6.765 -1.673 2.980 1.00 0.00 C ATOM 299 C LEU A 97 -7.125 -0.382 2.233 1.00 0.00 C ATOM 300 O LEU A 97 -6.765 -0.198 1.085 1.00 0.00 O ATOM 301 CB LEU A 97 -5.247 -1.774 3.155 1.00 0.00 C ATOM 302 CG LEU A 97 -4.779 -0.758 4.206 1.00 0.00 C ATOM 303 CD1 LEU A 97 -3.693 -1.386 5.079 1.00 0.00 C ATOM 304 CD2 LEU A 97 -4.209 0.482 3.510 1.00 0.00 C ATOM 0 H LEU A 97 -7.203 -2.733 1.170 1.00 0.00 H new ATOM 0 HA LEU A 97 -7.291 -1.642 3.934 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -4.973 -2.783 3.463 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -4.748 -1.585 2.205 1.00 0.00 H new ATOM 0 HG LEU A 97 -5.628 -0.470 4.826 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -3.362 -0.663 5.825 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -4.094 -2.267 5.581 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -2.848 -1.677 4.455 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -3.878 1.200 4.260 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -3.363 0.193 2.887 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -4.980 0.936 2.888 1.00 0.00 H new ATOM 316 N SER A 98 -7.822 0.521 2.885 1.00 0.00 N ATOM 317 CA SER A 98 -8.196 1.807 2.223 1.00 0.00 C ATOM 318 C SER A 98 -7.179 2.894 2.555 1.00 0.00 C ATOM 319 O SER A 98 -7.025 3.288 3.697 1.00 0.00 O ATOM 320 CB SER A 98 -9.546 2.193 2.811 1.00 0.00 C ATOM 321 OG SER A 98 -10.365 1.040 2.925 1.00 0.00 O ATOM 0 H SER A 98 -8.146 0.420 3.847 1.00 0.00 H new ATOM 0 HA SER A 98 -8.227 1.698 1.139 1.00 0.00 H new ATOM 0 HB2 SER A 98 -9.409 2.652 3.790 1.00 0.00 H new ATOM 0 HB3 SER A 98 -10.031 2.934 2.176 1.00 0.00 H new ATOM 0 HG SER A 98 -11.233 1.291 3.305 1.00 0.00 H new ATOM 327 N PHE A 99 -6.501 3.394 1.560 1.00 0.00 N ATOM 328 CA PHE A 99 -5.496 4.482 1.796 1.00 0.00 C ATOM 329 C PHE A 99 -5.925 5.774 1.085 1.00 0.00 C ATOM 330 O PHE A 99 -7.046 5.891 0.618 1.00 0.00 O ATOM 331 CB PHE A 99 -4.154 3.961 1.257 1.00 0.00 C ATOM 332 CG PHE A 99 -4.287 3.426 -0.155 1.00 0.00 C ATOM 333 CD1 PHE A 99 -4.354 4.309 -1.237 1.00 0.00 C ATOM 334 CD2 PHE A 99 -4.311 2.044 -0.379 1.00 0.00 C ATOM 335 CE1 PHE A 99 -4.446 3.813 -2.544 1.00 0.00 C ATOM 336 CE2 PHE A 99 -4.399 1.548 -1.685 1.00 0.00 C ATOM 337 CZ PHE A 99 -4.466 2.433 -2.768 1.00 0.00 C ATOM 0 H PHE A 99 -6.596 3.099 0.588 1.00 0.00 H new ATOM 0 HA PHE A 99 -5.413 4.725 2.855 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -3.418 4.765 1.274 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -3.780 3.173 1.911 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -4.335 5.375 -1.065 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -4.262 1.361 0.456 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -4.501 4.496 -3.378 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -4.415 0.482 -1.857 1.00 0.00 H new ATOM 0 HZ PHE A 99 -4.533 2.050 -3.776 1.00 0.00 H new ATOM 347 N GLN A 100 -5.053 6.756 1.030 1.00 0.00 N ATOM 348 CA GLN A 100 -5.430 8.052 0.386 1.00 0.00 C ATOM 349 C GLN A 100 -4.447 8.468 -0.719 1.00 0.00 C ATOM 350 O GLN A 100 -3.500 7.779 -1.039 1.00 0.00 O ATOM 351 CB GLN A 100 -5.424 9.081 1.526 1.00 0.00 C ATOM 352 CG GLN A 100 -6.802 9.740 1.631 1.00 0.00 C ATOM 353 CD GLN A 100 -7.084 10.104 3.091 1.00 0.00 C ATOM 354 OE1 GLN A 100 -7.335 9.239 3.906 1.00 0.00 O ATOM 355 NE2 GLN A 100 -7.052 11.356 3.459 1.00 0.00 N ATOM 0 H GLN A 100 -4.104 6.714 1.401 1.00 0.00 H new ATOM 0 HA GLN A 100 -6.400 7.972 -0.105 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -5.170 8.594 2.468 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -4.661 9.838 1.342 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -6.838 10.634 1.009 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -7.570 9.062 1.259 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -6.841 12.083 2.776 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -7.238 11.607 4.430 1.00 0.00 H new ATOM 364 N LYS A 101 -4.730 9.587 -1.328 1.00 0.00 N ATOM 365 CA LYS A 101 -3.905 10.116 -2.467 1.00 0.00 C ATOM 366 C LYS A 101 -2.444 10.421 -2.135 1.00 0.00 C ATOM 367 O LYS A 101 -1.613 10.515 -3.021 1.00 0.00 O ATOM 368 CB LYS A 101 -4.612 11.393 -2.869 1.00 0.00 C ATOM 369 CG LYS A 101 -4.094 11.843 -4.222 1.00 0.00 C ATOM 370 CD LYS A 101 -5.226 12.524 -4.987 1.00 0.00 C ATOM 371 CE LYS A 101 -6.221 11.462 -5.469 1.00 0.00 C ATOM 372 NZ LYS A 101 -7.382 12.235 -5.995 1.00 0.00 N ATOM 0 H LYS A 101 -5.523 10.179 -1.079 1.00 0.00 H new ATOM 0 HA LYS A 101 -3.839 9.357 -3.247 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -5.689 11.228 -2.914 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -4.439 12.169 -2.123 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -3.258 12.531 -4.095 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -3.720 10.988 -4.785 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -5.730 13.247 -4.346 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -4.825 13.076 -5.837 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -5.782 10.832 -6.243 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -6.521 10.803 -4.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -8.108 11.577 -6.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -7.783 12.820 -5.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -7.067 12.848 -6.774 1.00 0.00 H new ATOM 386 N GLY A 102 -2.134 10.603 -0.902 1.00 0.00 N ATOM 387 CA GLY A 102 -0.726 10.929 -0.512 1.00 0.00 C ATOM 388 C GLY A 102 -0.372 10.178 0.763 1.00 0.00 C ATOM 389 O GLY A 102 0.257 10.713 1.658 1.00 0.00 O ATOM 0 H GLY A 102 -2.792 10.543 -0.125 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -0.041 10.652 -1.313 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -0.618 12.003 -0.357 1.00 0.00 H new ATOM 393 N ASP A 103 -0.783 8.944 0.856 1.00 0.00 N ATOM 394 CA ASP A 103 -0.481 8.146 2.098 1.00 0.00 C ATOM 395 C ASP A 103 0.839 7.376 1.970 1.00 0.00 C ATOM 396 O ASP A 103 1.416 7.280 0.909 1.00 0.00 O ATOM 397 CB ASP A 103 -1.653 7.178 2.278 1.00 0.00 C ATOM 398 CG ASP A 103 -2.764 7.873 3.068 1.00 0.00 C ATOM 399 OD1 ASP A 103 -2.964 9.058 2.854 1.00 0.00 O ATOM 400 OD2 ASP A 103 -3.398 7.208 3.870 1.00 0.00 O ATOM 0 H ASP A 103 -1.311 8.449 0.137 1.00 0.00 H new ATOM 0 HA ASP A 103 -0.366 8.805 2.959 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -2.028 6.857 1.306 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -1.323 6.282 2.804 1.00 0.00 H new ATOM 405 N GLN A 104 1.299 6.802 3.054 1.00 0.00 N ATOM 406 CA GLN A 104 2.554 6.008 3.026 1.00 0.00 C ATOM 407 C GLN A 104 2.294 4.623 3.615 1.00 0.00 C ATOM 408 O GLN A 104 1.751 4.492 4.694 1.00 0.00 O ATOM 409 CB GLN A 104 3.552 6.776 3.897 1.00 0.00 C ATOM 410 CG GLN A 104 4.340 7.766 3.035 1.00 0.00 C ATOM 411 CD GLN A 104 5.803 7.776 3.482 1.00 0.00 C ATOM 412 OE1 GLN A 104 6.296 8.776 3.964 1.00 0.00 O ATOM 413 NE2 GLN A 104 6.519 6.693 3.342 1.00 0.00 N ATOM 0 H GLN A 104 0.848 6.854 3.967 1.00 0.00 H new ATOM 0 HA GLN A 104 2.932 5.873 2.013 1.00 0.00 H new ATOM 0 HB2 GLN A 104 3.024 7.309 4.688 1.00 0.00 H new ATOM 0 HB3 GLN A 104 4.235 6.080 4.383 1.00 0.00 H new ATOM 0 HG2 GLN A 104 4.271 7.485 1.984 1.00 0.00 H new ATOM 0 HG3 GLN A 104 3.913 8.765 3.127 1.00 0.00 H new ATOM 0 HE21 GLN A 104 6.102 5.855 2.937 1.00 0.00 H new ATOM 0 HE22 GLN A 104 7.495 6.685 3.638 1.00 0.00 H new ATOM 422 N MET A 105 2.682 3.596 2.914 1.00 0.00 N ATOM 423 CA MET A 105 2.470 2.212 3.422 1.00 0.00 C ATOM 424 C MET A 105 3.718 1.379 3.160 1.00 0.00 C ATOM 425 O MET A 105 4.460 1.641 2.234 1.00 0.00 O ATOM 426 CB MET A 105 1.285 1.663 2.624 1.00 0.00 C ATOM 427 CG MET A 105 0.040 2.511 2.899 1.00 0.00 C ATOM 428 SD MET A 105 -0.204 3.702 1.554 1.00 0.00 S ATOM 429 CE MET A 105 -0.955 2.550 0.377 1.00 0.00 C ATOM 0 H MET A 105 3.140 3.656 2.005 1.00 0.00 H new ATOM 0 HA MET A 105 2.276 2.188 4.494 1.00 0.00 H new ATOM 0 HB2 MET A 105 1.516 1.673 1.559 1.00 0.00 H new ATOM 0 HB3 MET A 105 1.098 0.625 2.900 1.00 0.00 H new ATOM 0 HG2 MET A 105 -0.836 1.868 2.991 1.00 0.00 H new ATOM 0 HG3 MET A 105 0.150 3.037 3.847 1.00 0.00 H new ATOM 0 HE1 MET A 105 -1.385 3.108 -0.454 1.00 0.00 H new ATOM 0 HE2 MET A 105 -0.194 1.867 0.000 1.00 0.00 H new ATOM 0 HE3 MET A 105 -1.739 1.980 0.876 1.00 0.00 H new ATOM 439 N VAL A 106 3.952 0.376 3.959 1.00 0.00 N ATOM 440 CA VAL A 106 5.148 -0.481 3.738 1.00 0.00 C ATOM 441 C VAL A 106 4.684 -1.753 3.046 1.00 0.00 C ATOM 442 O VAL A 106 3.558 -2.159 3.200 1.00 0.00 O ATOM 443 CB VAL A 106 5.714 -0.796 5.124 1.00 0.00 C ATOM 444 CG1 VAL A 106 7.042 -1.535 4.980 1.00 0.00 C ATOM 445 CG2 VAL A 106 5.942 0.502 5.911 1.00 0.00 C ATOM 0 H VAL A 106 3.368 0.114 4.753 1.00 0.00 H new ATOM 0 HA VAL A 106 5.908 -0.001 3.121 1.00 0.00 H new ATOM 0 HB VAL A 106 5.000 -1.421 5.661 1.00 0.00 H new ATOM 0 HG11 VAL A 106 7.443 -1.758 5.969 1.00 0.00 H new ATOM 0 HG12 VAL A 106 6.883 -2.465 4.434 1.00 0.00 H new ATOM 0 HG13 VAL A 106 7.749 -0.910 4.434 1.00 0.00 H new ATOM 0 HG21 VAL A 106 6.345 0.265 6.896 1.00 0.00 H new ATOM 0 HG22 VAL A 106 6.648 1.135 5.373 1.00 0.00 H new ATOM 0 HG23 VAL A 106 4.995 1.030 6.024 1.00 0.00 H new ATOM 455 N VAL A 107 5.523 -2.383 2.286 1.00 0.00 N ATOM 456 CA VAL A 107 5.080 -3.632 1.588 1.00 0.00 C ATOM 457 C VAL A 107 5.471 -4.864 2.397 1.00 0.00 C ATOM 458 O VAL A 107 6.544 -4.948 2.963 1.00 0.00 O ATOM 459 CB VAL A 107 5.749 -3.636 0.205 1.00 0.00 C ATOM 460 CG1 VAL A 107 5.379 -4.924 -0.546 1.00 0.00 C ATOM 461 CG2 VAL A 107 5.242 -2.437 -0.598 1.00 0.00 C ATOM 0 H VAL A 107 6.487 -2.100 2.113 1.00 0.00 H new ATOM 0 HA VAL A 107 3.995 -3.658 1.482 1.00 0.00 H new ATOM 0 HB VAL A 107 6.831 -3.580 0.327 1.00 0.00 H new ATOM 0 HG11 VAL A 107 5.855 -4.923 -1.526 1.00 0.00 H new ATOM 0 HG12 VAL A 107 5.722 -5.788 0.023 1.00 0.00 H new ATOM 0 HG13 VAL A 107 4.297 -4.976 -0.668 1.00 0.00 H new ATOM 0 HG21 VAL A 107 5.712 -2.433 -1.581 1.00 0.00 H new ATOM 0 HG22 VAL A 107 4.160 -2.507 -0.713 1.00 0.00 H new ATOM 0 HG23 VAL A 107 5.492 -1.515 -0.072 1.00 0.00 H new ATOM 471 N LEU A 108 4.602 -5.823 2.417 1.00 0.00 N ATOM 472 CA LEU A 108 4.859 -7.088 3.145 1.00 0.00 C ATOM 473 C LEU A 108 5.337 -8.149 2.147 1.00 0.00 C ATOM 474 O LEU A 108 6.066 -9.060 2.491 1.00 0.00 O ATOM 475 CB LEU A 108 3.486 -7.487 3.696 1.00 0.00 C ATOM 476 CG LEU A 108 3.094 -6.599 4.884 1.00 0.00 C ATOM 477 CD1 LEU A 108 2.243 -5.429 4.393 1.00 0.00 C ATOM 478 CD2 LEU A 108 2.280 -7.428 5.883 1.00 0.00 C ATOM 0 H LEU A 108 3.698 -5.783 1.946 1.00 0.00 H new ATOM 0 HA LEU A 108 5.614 -6.989 3.925 1.00 0.00 H new ATOM 0 HB2 LEU A 108 2.736 -7.402 2.910 1.00 0.00 H new ATOM 0 HB3 LEU A 108 3.504 -8.531 4.008 1.00 0.00 H new ATOM 0 HG LEU A 108 3.995 -6.216 5.364 1.00 0.00 H new ATOM 0 HD11 LEU A 108 1.966 -4.800 5.239 1.00 0.00 H new ATOM 0 HD12 LEU A 108 2.814 -4.840 3.675 1.00 0.00 H new ATOM 0 HD13 LEU A 108 1.341 -5.811 3.914 1.00 0.00 H new ATOM 0 HD21 LEU A 108 1.998 -6.803 6.730 1.00 0.00 H new ATOM 0 HD22 LEU A 108 1.381 -7.805 5.395 1.00 0.00 H new ATOM 0 HD23 LEU A 108 2.881 -8.266 6.235 1.00 0.00 H new ATOM 490 N GLU A 109 4.923 -8.023 0.909 1.00 0.00 N ATOM 491 CA GLU A 109 5.324 -9.006 -0.139 1.00 0.00 C ATOM 492 C GLU A 109 5.239 -8.361 -1.527 1.00 0.00 C ATOM 493 O GLU A 109 4.538 -7.386 -1.722 1.00 0.00 O ATOM 494 CB GLU A 109 4.302 -10.136 -0.025 1.00 0.00 C ATOM 495 CG GLU A 109 4.665 -11.049 1.146 1.00 0.00 C ATOM 496 CD GLU A 109 3.817 -12.321 1.080 1.00 0.00 C ATOM 497 OE1 GLU A 109 3.706 -12.884 0.003 1.00 0.00 O ATOM 498 OE2 GLU A 109 3.290 -12.710 2.109 1.00 0.00 O ATOM 0 H GLU A 109 4.317 -7.271 0.579 1.00 0.00 H new ATOM 0 HA GLU A 109 6.348 -9.357 -0.007 1.00 0.00 H new ATOM 0 HB2 GLU A 109 3.304 -9.722 0.121 1.00 0.00 H new ATOM 0 HB3 GLU A 109 4.277 -10.710 -0.951 1.00 0.00 H new ATOM 0 HG2 GLU A 109 5.724 -11.303 1.109 1.00 0.00 H new ATOM 0 HG3 GLU A 109 4.494 -10.533 2.091 1.00 0.00 H new ATOM 505 N GLU A 110 5.926 -8.914 -2.494 1.00 0.00 N ATOM 506 CA GLU A 110 5.872 -8.355 -3.884 1.00 0.00 C ATOM 507 C GLU A 110 4.952 -9.222 -4.751 1.00 0.00 C ATOM 508 O GLU A 110 4.790 -10.401 -4.501 1.00 0.00 O ATOM 509 CB GLU A 110 7.312 -8.421 -4.393 1.00 0.00 C ATOM 510 CG GLU A 110 8.116 -7.271 -3.785 1.00 0.00 C ATOM 511 CD GLU A 110 9.482 -7.183 -4.464 1.00 0.00 C ATOM 512 OE1 GLU A 110 9.526 -6.773 -5.613 1.00 0.00 O ATOM 513 OE2 GLU A 110 10.462 -7.527 -3.824 1.00 0.00 O ATOM 0 H GLU A 110 6.525 -9.732 -2.383 1.00 0.00 H new ATOM 0 HA GLU A 110 5.481 -7.338 -3.914 1.00 0.00 H new ATOM 0 HB2 GLU A 110 7.762 -9.377 -4.124 1.00 0.00 H new ATOM 0 HB3 GLU A 110 7.329 -8.356 -5.481 1.00 0.00 H new ATOM 0 HG2 GLU A 110 7.576 -6.332 -3.909 1.00 0.00 H new ATOM 0 HG3 GLU A 110 8.241 -7.428 -2.714 1.00 0.00 H new ATOM 520 N SER A 111 4.337 -8.651 -5.762 1.00 0.00 N ATOM 521 CA SER A 111 3.422 -9.455 -6.629 1.00 0.00 C ATOM 522 C SER A 111 3.473 -8.968 -8.084 1.00 0.00 C ATOM 523 O SER A 111 3.930 -9.674 -8.965 1.00 0.00 O ATOM 524 CB SER A 111 2.031 -9.243 -6.033 1.00 0.00 C ATOM 525 OG SER A 111 1.234 -10.394 -6.275 1.00 0.00 O ATOM 0 H SER A 111 4.430 -7.669 -6.021 1.00 0.00 H new ATOM 0 HA SER A 111 3.703 -10.508 -6.652 1.00 0.00 H new ATOM 0 HB2 SER A 111 2.107 -9.058 -4.961 1.00 0.00 H new ATOM 0 HB3 SER A 111 1.564 -8.364 -6.476 1.00 0.00 H new ATOM 0 HG SER A 111 0.342 -10.261 -5.892 1.00 0.00 H new ATOM 531 N GLY A 112 3.004 -7.774 -8.341 1.00 0.00 N ATOM 532 CA GLY A 112 3.016 -7.240 -9.734 1.00 0.00 C ATOM 533 C GLY A 112 2.098 -6.020 -9.819 1.00 0.00 C ATOM 534 O GLY A 112 2.545 -4.894 -9.705 1.00 0.00 O ATOM 0 H GLY A 112 2.612 -7.144 -7.642 1.00 0.00 H new ATOM 0 HA2 GLY A 112 4.031 -6.966 -10.021 1.00 0.00 H new ATOM 0 HA3 GLY A 112 2.684 -8.008 -10.432 1.00 0.00 H new ATOM 538 N GLU A 113 0.819 -6.235 -10.013 1.00 0.00 N ATOM 539 CA GLU A 113 -0.134 -5.085 -10.101 1.00 0.00 C ATOM 540 C GLU A 113 -0.844 -4.862 -8.758 1.00 0.00 C ATOM 541 O GLU A 113 -1.355 -3.792 -8.497 1.00 0.00 O ATOM 542 CB GLU A 113 -1.142 -5.479 -11.181 1.00 0.00 C ATOM 543 CG GLU A 113 -0.732 -4.858 -12.518 1.00 0.00 C ATOM 544 CD GLU A 113 -0.810 -3.332 -12.419 1.00 0.00 C ATOM 545 OE1 GLU A 113 -1.882 -2.832 -12.119 1.00 0.00 O ATOM 546 OE2 GLU A 113 0.203 -2.690 -12.640 1.00 0.00 O ATOM 0 H GLU A 113 0.394 -7.157 -10.114 1.00 0.00 H new ATOM 0 HA GLU A 113 0.378 -4.153 -10.341 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -1.187 -6.564 -11.272 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -2.140 -5.140 -10.902 1.00 0.00 H new ATOM 0 HG2 GLU A 113 0.281 -5.165 -12.778 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -1.387 -5.215 -13.313 1.00 0.00 H new ATOM 553 N TRP A 114 -0.880 -5.862 -7.912 1.00 0.00 N ATOM 554 CA TRP A 114 -1.549 -5.709 -6.582 1.00 0.00 C ATOM 555 C TRP A 114 -0.586 -6.146 -5.471 1.00 0.00 C ATOM 556 O TRP A 114 -0.313 -7.322 -5.311 1.00 0.00 O ATOM 557 CB TRP A 114 -2.772 -6.631 -6.626 1.00 0.00 C ATOM 558 CG TRP A 114 -3.797 -6.083 -7.572 1.00 0.00 C ATOM 559 CD1 TRP A 114 -3.822 -6.313 -8.906 1.00 0.00 C ATOM 560 CD2 TRP A 114 -4.949 -5.232 -7.284 1.00 0.00 C ATOM 561 NE1 TRP A 114 -4.909 -5.656 -9.453 1.00 0.00 N ATOM 562 CE2 TRP A 114 -5.635 -4.978 -8.495 1.00 0.00 C ATOM 563 CE3 TRP A 114 -5.461 -4.662 -6.102 1.00 0.00 C ATOM 564 CZ2 TRP A 114 -6.786 -4.189 -8.536 1.00 0.00 C ATOM 565 CZ3 TRP A 114 -6.619 -3.867 -6.139 1.00 0.00 C ATOM 566 CH2 TRP A 114 -7.281 -3.632 -7.354 1.00 0.00 C ATOM 0 H TRP A 114 -0.473 -6.781 -8.086 1.00 0.00 H new ATOM 0 HA TRP A 114 -1.838 -4.677 -6.381 1.00 0.00 H new ATOM 0 HB2 TRP A 114 -2.472 -7.630 -6.941 1.00 0.00 H new ATOM 0 HB3 TRP A 114 -3.201 -6.727 -5.629 1.00 0.00 H new ATOM 0 HD1 TRP A 114 -3.109 -6.912 -9.454 1.00 0.00 H new ATOM 0 HE1 TRP A 114 -5.146 -5.671 -10.445 1.00 0.00 H new ATOM 0 HE3 TRP A 114 -4.960 -4.837 -5.161 1.00 0.00 H new ATOM 0 HZ2 TRP A 114 -7.290 -4.010 -9.474 1.00 0.00 H new ATOM 0 HZ3 TRP A 114 -7.002 -3.434 -5.227 1.00 0.00 H new ATOM 0 HH2 TRP A 114 -8.172 -3.022 -7.375 1.00 0.00 H new ATOM 577 N TRP A 115 -0.060 -5.213 -4.713 1.00 0.00 N ATOM 578 CA TRP A 115 0.899 -5.580 -3.621 1.00 0.00 C ATOM 579 C TRP A 115 0.204 -5.570 -2.259 1.00 0.00 C ATOM 580 O TRP A 115 -0.767 -4.869 -2.049 1.00 0.00 O ATOM 581 CB TRP A 115 1.983 -4.493 -3.638 1.00 0.00 C ATOM 582 CG TRP A 115 2.693 -4.452 -4.960 1.00 0.00 C ATOM 583 CD1 TRP A 115 2.828 -5.492 -5.825 1.00 0.00 C ATOM 584 CD2 TRP A 115 3.384 -3.325 -5.572 1.00 0.00 C ATOM 585 NE1 TRP A 115 3.548 -5.065 -6.927 1.00 0.00 N ATOM 586 CE2 TRP A 115 3.910 -3.739 -6.819 1.00 0.00 C ATOM 587 CE3 TRP A 115 3.598 -1.992 -5.171 1.00 0.00 C ATOM 588 CZ2 TRP A 115 4.624 -2.864 -7.638 1.00 0.00 C ATOM 589 CZ3 TRP A 115 4.315 -1.108 -5.995 1.00 0.00 C ATOM 590 CH2 TRP A 115 4.826 -1.545 -7.226 1.00 0.00 C ATOM 0 H TRP A 115 -0.252 -4.215 -4.803 1.00 0.00 H new ATOM 0 HA TRP A 115 1.304 -6.580 -3.778 1.00 0.00 H new ATOM 0 HB2 TRP A 115 1.531 -3.522 -3.435 1.00 0.00 H new ATOM 0 HB3 TRP A 115 2.703 -4.682 -2.842 1.00 0.00 H new ATOM 0 HD1 TRP A 115 2.437 -6.488 -5.677 1.00 0.00 H new ATOM 0 HE1 TRP A 115 3.782 -5.659 -7.722 1.00 0.00 H new ATOM 0 HE3 TRP A 115 3.209 -1.647 -4.224 1.00 0.00 H new ATOM 0 HZ2 TRP A 115 5.018 -3.204 -8.584 1.00 0.00 H new ATOM 0 HZ3 TRP A 115 4.473 -0.087 -5.679 1.00 0.00 H new ATOM 0 HH2 TRP A 115 5.376 -0.861 -7.856 1.00 0.00 H new ATOM 601 N LYS A 116 0.726 -6.320 -1.325 1.00 0.00 N ATOM 602 CA LYS A 116 0.134 -6.352 0.049 1.00 0.00 C ATOM 603 C LYS A 116 0.976 -5.460 0.965 1.00 0.00 C ATOM 604 O LYS A 116 2.120 -5.767 1.237 1.00 0.00 O ATOM 605 CB LYS A 116 0.231 -7.822 0.485 1.00 0.00 C ATOM 606 CG LYS A 116 -1.137 -8.309 0.958 1.00 0.00 C ATOM 607 CD LYS A 116 -1.018 -9.752 1.455 1.00 0.00 C ATOM 608 CE LYS A 116 -2.220 -10.089 2.341 1.00 0.00 C ATOM 609 NZ LYS A 116 -2.141 -11.559 2.555 1.00 0.00 N ATOM 0 H LYS A 116 1.543 -6.917 -1.454 1.00 0.00 H new ATOM 0 HA LYS A 116 -0.894 -5.992 0.086 1.00 0.00 H new ATOM 0 HB2 LYS A 116 0.579 -8.436 -0.346 1.00 0.00 H new ATOM 0 HB3 LYS A 116 0.962 -7.926 1.287 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -1.508 -7.667 1.757 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -1.858 -8.252 0.142 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -0.974 -10.437 0.608 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -0.092 -9.879 2.016 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -2.176 -9.550 3.287 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -3.157 -9.810 1.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -2.934 -11.866 3.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -2.192 -12.047 1.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -1.242 -11.794 3.022 1.00 0.00 H new ATOM 623 N ALA A 117 0.439 -4.353 1.422 1.00 0.00 N ATOM 624 CA ALA A 117 1.254 -3.442 2.288 1.00 0.00 C ATOM 625 C ALA A 117 0.555 -3.100 3.612 1.00 0.00 C ATOM 626 O ALA A 117 -0.613 -3.375 3.820 1.00 0.00 O ATOM 627 CB ALA A 117 1.436 -2.178 1.451 1.00 0.00 C ATOM 0 H ALA A 117 -0.515 -4.044 1.236 1.00 0.00 H new ATOM 0 HA ALA A 117 2.195 -3.915 2.570 1.00 0.00 H new ATOM 0 HB1 ALA A 117 2.025 -1.452 2.012 1.00 0.00 H new ATOM 0 HB2 ALA A 117 1.953 -2.427 0.524 1.00 0.00 H new ATOM 0 HB3 ALA A 117 0.460 -1.752 1.219 1.00 0.00 H new ATOM 633 N ARG A 118 1.288 -2.484 4.504 1.00 0.00 N ATOM 634 CA ARG A 118 0.738 -2.097 5.820 1.00 0.00 C ATOM 635 C ARG A 118 0.668 -0.568 5.926 1.00 0.00 C ATOM 636 O ARG A 118 1.657 0.123 5.759 1.00 0.00 O ATOM 637 CB ARG A 118 1.738 -2.692 6.824 1.00 0.00 C ATOM 638 CG ARG A 118 1.430 -2.228 8.256 1.00 0.00 C ATOM 639 CD ARG A 118 2.734 -1.834 8.958 1.00 0.00 C ATOM 640 NE ARG A 118 2.376 -1.670 10.403 1.00 0.00 N ATOM 641 CZ ARG A 118 3.309 -1.523 11.326 1.00 0.00 C ATOM 642 NH1 ARG A 118 4.584 -1.481 11.014 1.00 0.00 N ATOM 643 NH2 ARG A 118 2.956 -1.420 12.578 1.00 0.00 N ATOM 0 H ARG A 118 2.266 -2.231 4.363 1.00 0.00 H new ATOM 0 HA ARG A 118 -0.276 -2.458 5.994 1.00 0.00 H new ATOM 0 HB2 ARG A 118 1.702 -3.780 6.776 1.00 0.00 H new ATOM 0 HB3 ARG A 118 2.751 -2.394 6.552 1.00 0.00 H new ATOM 0 HG2 ARG A 118 0.745 -1.380 8.235 1.00 0.00 H new ATOM 0 HG3 ARG A 118 0.934 -3.025 8.809 1.00 0.00 H new ATOM 0 HD2 ARG A 118 3.497 -2.601 8.827 1.00 0.00 H new ATOM 0 HD3 ARG A 118 3.138 -0.909 8.546 1.00 0.00 H new ATOM 0 HE ARG A 118 1.394 -1.672 10.679 1.00 0.00 H new ATOM 0 HH11 ARG A 118 4.874 -1.563 10.039 1.00 0.00 H new ATOM 0 HH12 ARG A 118 5.285 -1.367 11.746 1.00 0.00 H new ATOM 0 HH21 ARG A 118 1.969 -1.453 12.834 1.00 0.00 H new ATOM 0 HH22 ARG A 118 3.667 -1.306 13.301 1.00 0.00 H new ATOM 657 N SER A 119 -0.497 -0.042 6.214 1.00 0.00 N ATOM 658 CA SER A 119 -0.647 1.438 6.344 1.00 0.00 C ATOM 659 C SER A 119 -0.113 1.899 7.699 1.00 0.00 C ATOM 660 O SER A 119 -0.652 1.548 8.737 1.00 0.00 O ATOM 661 CB SER A 119 -2.151 1.701 6.255 1.00 0.00 C ATOM 662 OG SER A 119 -2.379 3.101 6.168 1.00 0.00 O ATOM 0 H SER A 119 -1.352 -0.577 6.365 1.00 0.00 H new ATOM 0 HA SER A 119 -0.093 1.975 5.574 1.00 0.00 H new ATOM 0 HB2 SER A 119 -2.569 1.198 5.383 1.00 0.00 H new ATOM 0 HB3 SER A 119 -2.656 1.293 7.131 1.00 0.00 H new ATOM 0 HG SER A 119 -3.342 3.273 6.109 1.00 0.00 H new ATOM 668 N LEU A 120 0.940 2.682 7.696 1.00 0.00 N ATOM 669 CA LEU A 120 1.518 3.178 8.982 1.00 0.00 C ATOM 670 C LEU A 120 0.531 4.124 9.673 1.00 0.00 C ATOM 671 O LEU A 120 0.570 4.301 10.877 1.00 0.00 O ATOM 672 CB LEU A 120 2.800 3.919 8.595 1.00 0.00 C ATOM 673 CG LEU A 120 3.770 2.944 7.923 1.00 0.00 C ATOM 674 CD1 LEU A 120 4.735 3.714 7.019 1.00 0.00 C ATOM 675 CD2 LEU A 120 4.565 2.198 8.995 1.00 0.00 C ATOM 0 H LEU A 120 1.424 2.999 6.856 1.00 0.00 H new ATOM 0 HA LEU A 120 1.722 2.366 9.680 1.00 0.00 H new ATOM 0 HB2 LEU A 120 2.567 4.741 7.918 1.00 0.00 H new ATOM 0 HB3 LEU A 120 3.262 4.356 9.481 1.00 0.00 H new ATOM 0 HG LEU A 120 3.205 2.231 7.323 1.00 0.00 H new ATOM 0 HD11 LEU A 120 5.423 3.016 6.543 1.00 0.00 H new ATOM 0 HD12 LEU A 120 4.170 4.246 6.253 1.00 0.00 H new ATOM 0 HD13 LEU A 120 5.300 4.430 7.616 1.00 0.00 H new ATOM 0 HD21 LEU A 120 5.256 1.503 8.518 1.00 0.00 H new ATOM 0 HD22 LEU A 120 5.127 2.914 9.595 1.00 0.00 H new ATOM 0 HD23 LEU A 120 3.880 1.645 9.637 1.00 0.00 H new ATOM 687 N ALA A 121 -0.362 4.730 8.923 1.00 0.00 N ATOM 688 CA ALA A 121 -1.363 5.655 9.542 1.00 0.00 C ATOM 689 C ALA A 121 -2.179 4.905 10.597 1.00 0.00 C ATOM 690 O ALA A 121 -2.624 5.477 11.573 1.00 0.00 O ATOM 691 CB ALA A 121 -2.272 6.099 8.392 1.00 0.00 C ATOM 0 H ALA A 121 -0.439 4.623 7.912 1.00 0.00 H new ATOM 0 HA ALA A 121 -0.888 6.503 10.034 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -3.033 6.781 8.772 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -1.677 6.606 7.633 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -2.754 5.226 7.952 1.00 0.00 H new ATOM 697 N THR A 122 -2.370 3.624 10.400 1.00 0.00 N ATOM 698 CA THR A 122 -3.152 2.814 11.382 1.00 0.00 C ATOM 699 C THR A 122 -2.461 1.466 11.658 1.00 0.00 C ATOM 700 O THR A 122 -3.046 0.578 12.245 1.00 0.00 O ATOM 701 CB THR A 122 -4.509 2.583 10.712 1.00 0.00 C ATOM 702 OG1 THR A 122 -4.304 2.056 9.408 1.00 0.00 O ATOM 703 CG2 THR A 122 -5.281 3.901 10.612 1.00 0.00 C ATOM 0 H THR A 122 -2.016 3.103 9.598 1.00 0.00 H new ATOM 0 HA THR A 122 -3.242 3.322 12.342 1.00 0.00 H new ATOM 0 HB THR A 122 -5.087 1.879 11.311 1.00 0.00 H new ATOM 0 HG1 THR A 122 -5.171 1.905 8.976 1.00 0.00 H new ATOM 0 HG21 THR A 122 -6.244 3.723 10.134 1.00 0.00 H new ATOM 0 HG22 THR A 122 -5.441 4.305 11.611 1.00 0.00 H new ATOM 0 HG23 THR A 122 -4.708 4.614 10.020 1.00 0.00 H new ATOM 711 N ARG A 123 -1.223 1.301 11.234 1.00 0.00 N ATOM 712 CA ARG A 123 -0.497 0.003 11.461 1.00 0.00 C ATOM 713 C ARG A 123 -1.344 -1.180 10.966 1.00 0.00 C ATOM 714 O ARG A 123 -1.257 -2.274 11.489 1.00 0.00 O ATOM 715 CB ARG A 123 -0.290 -0.086 12.976 1.00 0.00 C ATOM 716 CG ARG A 123 0.728 0.970 13.424 1.00 0.00 C ATOM 717 CD ARG A 123 -0.008 2.198 13.974 1.00 0.00 C ATOM 718 NE ARG A 123 -0.341 1.859 15.396 1.00 0.00 N ATOM 719 CZ ARG A 123 -0.767 2.778 16.240 1.00 0.00 C ATOM 720 NH1 ARG A 123 -0.863 4.042 15.890 1.00 0.00 N ATOM 721 NH2 ARG A 123 -1.092 2.430 17.455 1.00 0.00 N ATOM 0 H ARG A 123 -0.684 2.012 10.739 1.00 0.00 H new ATOM 0 HA ARG A 123 0.448 -0.034 10.918 1.00 0.00 H new ATOM 0 HB2 ARG A 123 -1.238 0.068 13.491 1.00 0.00 H new ATOM 0 HB3 ARG A 123 0.062 -1.082 13.246 1.00 0.00 H new ATOM 0 HG2 ARG A 123 1.384 0.555 14.189 1.00 0.00 H new ATOM 0 HG3 ARG A 123 1.360 1.259 12.584 1.00 0.00 H new ATOM 0 HD2 ARG A 123 0.618 3.089 13.919 1.00 0.00 H new ATOM 0 HD3 ARG A 123 -0.910 2.406 13.398 1.00 0.00 H new ATOM 0 HE ARG A 123 -0.236 0.897 15.717 1.00 0.00 H new ATOM 0 HH11 ARG A 123 -0.605 4.331 14.946 1.00 0.00 H new ATOM 0 HH12 ARG A 123 -1.196 4.733 16.562 1.00 0.00 H new ATOM 0 HH21 ARG A 123 -1.015 1.455 17.744 1.00 0.00 H new ATOM 0 HH22 ARG A 123 -1.423 3.133 18.116 1.00 0.00 H new ATOM 735 N LYS A 124 -2.144 -0.968 9.951 1.00 0.00 N ATOM 736 CA LYS A 124 -2.987 -2.080 9.405 1.00 0.00 C ATOM 737 C LYS A 124 -2.318 -2.639 8.155 1.00 0.00 C ATOM 738 O LYS A 124 -1.275 -2.167 7.766 1.00 0.00 O ATOM 739 CB LYS A 124 -4.325 -1.434 9.045 1.00 0.00 C ATOM 740 CG LYS A 124 -4.998 -0.888 10.306 1.00 0.00 C ATOM 741 CD LYS A 124 -6.492 -0.670 10.035 1.00 0.00 C ATOM 742 CE LYS A 124 -7.305 -1.074 11.266 1.00 0.00 C ATOM 743 NZ LYS A 124 -8.574 -1.636 10.722 1.00 0.00 N ATOM 0 H LYS A 124 -2.251 -0.072 9.475 1.00 0.00 H new ATOM 0 HA LYS A 124 -3.117 -2.898 10.114 1.00 0.00 H new ATOM 0 HB2 LYS A 124 -4.168 -0.628 8.328 1.00 0.00 H new ATOM 0 HB3 LYS A 124 -4.974 -2.166 8.564 1.00 0.00 H new ATOM 0 HG2 LYS A 124 -4.866 -1.586 11.133 1.00 0.00 H new ATOM 0 HG3 LYS A 124 -4.531 0.051 10.603 1.00 0.00 H new ATOM 0 HD2 LYS A 124 -6.678 0.376 9.792 1.00 0.00 H new ATOM 0 HD3 LYS A 124 -6.804 -1.258 9.172 1.00 0.00 H new ATOM 0 HE2 LYS A 124 -6.772 -1.811 11.866 1.00 0.00 H new ATOM 0 HE3 LYS A 124 -7.497 -0.217 11.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 -9.186 -1.936 11.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 -9.063 -0.910 10.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 -8.360 -2.455 10.118 1.00 0.00 H new ATOM 757 N GLU A 125 -2.902 -3.628 7.517 1.00 0.00 N ATOM 758 CA GLU A 125 -2.265 -4.190 6.278 1.00 0.00 C ATOM 759 C GLU A 125 -3.286 -4.852 5.360 1.00 0.00 C ATOM 760 O GLU A 125 -4.155 -5.584 5.791 1.00 0.00 O ATOM 761 CB GLU A 125 -1.185 -5.209 6.717 1.00 0.00 C ATOM 762 CG GLU A 125 -1.539 -5.903 8.043 1.00 0.00 C ATOM 763 CD GLU A 125 -2.803 -6.748 7.871 1.00 0.00 C ATOM 764 OE1 GLU A 125 -2.683 -7.869 7.408 1.00 0.00 O ATOM 765 OE2 GLU A 125 -3.869 -6.262 8.212 1.00 0.00 O ATOM 0 H GLU A 125 -3.780 -4.066 7.795 1.00 0.00 H new ATOM 0 HA GLU A 125 -1.817 -3.378 5.706 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -1.061 -5.961 5.938 1.00 0.00 H new ATOM 0 HB3 GLU A 125 -0.228 -4.698 6.822 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -0.711 -6.534 8.365 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -1.693 -5.158 8.823 1.00 0.00 H new ATOM 772 N GLY A 126 -3.154 -4.601 4.082 1.00 0.00 N ATOM 773 CA GLY A 126 -4.081 -5.207 3.088 1.00 0.00 C ATOM 774 C GLY A 126 -3.485 -5.069 1.680 1.00 0.00 C ATOM 775 O GLY A 126 -2.282 -5.045 1.506 1.00 0.00 O ATOM 0 H GLY A 126 -2.436 -3.996 3.685 1.00 0.00 H new ATOM 0 HA2 GLY A 126 -4.246 -6.259 3.323 1.00 0.00 H new ATOM 0 HA3 GLY A 126 -5.052 -4.714 3.133 1.00 0.00 H new ATOM 779 N TYR A 127 -4.325 -4.975 0.679 1.00 0.00 N ATOM 780 CA TYR A 127 -3.834 -4.857 -0.731 1.00 0.00 C ATOM 781 C TYR A 127 -3.739 -3.394 -1.166 1.00 0.00 C ATOM 782 O TYR A 127 -4.324 -2.517 -0.563 1.00 0.00 O ATOM 783 CB TYR A 127 -4.893 -5.568 -1.579 1.00 0.00 C ATOM 784 CG TYR A 127 -5.011 -7.011 -1.162 1.00 0.00 C ATOM 785 CD1 TYR A 127 -3.963 -7.908 -1.408 1.00 0.00 C ATOM 786 CD2 TYR A 127 -6.172 -7.448 -0.523 1.00 0.00 C ATOM 787 CE1 TYR A 127 -4.082 -9.244 -1.009 1.00 0.00 C ATOM 788 CE2 TYR A 127 -6.292 -8.780 -0.122 1.00 0.00 C ATOM 789 CZ TYR A 127 -5.247 -9.681 -0.364 1.00 0.00 C ATOM 790 OH TYR A 127 -5.363 -10.997 0.033 1.00 0.00 O ATOM 0 H TYR A 127 -5.340 -4.975 0.779 1.00 0.00 H new ATOM 0 HA TYR A 127 -2.838 -5.287 -0.839 1.00 0.00 H new ATOM 0 HB2 TYR A 127 -5.855 -5.069 -1.465 1.00 0.00 H new ATOM 0 HB3 TYR A 127 -4.625 -5.507 -2.634 1.00 0.00 H new ATOM 0 HD1 TYR A 127 -3.066 -7.569 -1.904 1.00 0.00 H new ATOM 0 HD2 TYR A 127 -6.979 -6.755 -0.338 1.00 0.00 H new ATOM 0 HE1 TYR A 127 -3.276 -9.938 -1.198 1.00 0.00 H new ATOM 0 HE2 TYR A 127 -7.190 -9.116 0.375 1.00 0.00 H new ATOM 0 HH TYR A 127 -6.232 -11.133 0.466 1.00 0.00 H new ATOM 800 N ILE A 128 -3.010 -3.141 -2.226 1.00 0.00 N ATOM 801 CA ILE A 128 -2.867 -1.744 -2.743 1.00 0.00 C ATOM 802 C ILE A 128 -2.524 -1.766 -4.247 1.00 0.00 C ATOM 803 O ILE A 128 -1.441 -2.174 -4.615 1.00 0.00 O ATOM 804 CB ILE A 128 -1.729 -1.090 -1.935 1.00 0.00 C ATOM 805 CG1 ILE A 128 -0.518 -2.030 -1.827 1.00 0.00 C ATOM 806 CG2 ILE A 128 -2.236 -0.757 -0.535 1.00 0.00 C ATOM 807 CD1 ILE A 128 0.773 -1.204 -1.798 1.00 0.00 C ATOM 0 H ILE A 128 -2.504 -3.848 -2.759 1.00 0.00 H new ATOM 0 HA ILE A 128 -3.795 -1.183 -2.630 1.00 0.00 H new ATOM 0 HB ILE A 128 -1.415 -0.182 -2.450 1.00 0.00 H new ATOM 0 HG12 ILE A 128 -0.594 -2.636 -0.924 1.00 0.00 H new ATOM 0 HG13 ILE A 128 -0.502 -2.718 -2.672 1.00 0.00 H new ATOM 0 HG21 ILE A 128 -1.435 -0.294 0.041 1.00 0.00 H new ATOM 0 HG22 ILE A 128 -3.077 -0.067 -0.607 1.00 0.00 H new ATOM 0 HG23 ILE A 128 -2.559 -1.672 -0.038 1.00 0.00 H new ATOM 0 HD11 ILE A 128 1.631 -1.872 -1.721 1.00 0.00 H new ATOM 0 HD12 ILE A 128 0.850 -0.618 -2.714 1.00 0.00 H new ATOM 0 HD13 ILE A 128 0.757 -0.534 -0.938 1.00 0.00 H new ATOM 819 N PRO A 129 -3.455 -1.332 -5.084 1.00 0.00 N ATOM 820 CA PRO A 129 -3.212 -1.317 -6.559 1.00 0.00 C ATOM 821 C PRO A 129 -1.827 -0.747 -6.909 1.00 0.00 C ATOM 822 O PRO A 129 -1.608 0.447 -6.919 1.00 0.00 O ATOM 823 CB PRO A 129 -4.327 -0.431 -7.106 1.00 0.00 C ATOM 824 CG PRO A 129 -5.421 -0.485 -6.086 1.00 0.00 C ATOM 825 CD PRO A 129 -4.799 -0.829 -4.755 1.00 0.00 C ATOM 0 HA PRO A 129 -3.220 -2.320 -6.986 1.00 0.00 H new ATOM 0 HB2 PRO A 129 -3.979 0.591 -7.253 1.00 0.00 H new ATOM 0 HB3 PRO A 129 -4.675 -0.792 -8.074 1.00 0.00 H new ATOM 0 HG2 PRO A 129 -5.937 0.473 -6.029 1.00 0.00 H new ATOM 0 HG3 PRO A 129 -6.165 -1.232 -6.364 1.00 0.00 H new ATOM 0 HD2 PRO A 129 -4.746 0.045 -4.106 1.00 0.00 H new ATOM 0 HD3 PRO A 129 -5.385 -1.582 -4.228 1.00 0.00 H new ATOM 833 N SER A 130 -0.902 -1.622 -7.195 1.00 0.00 N ATOM 834 CA SER A 130 0.494 -1.207 -7.550 1.00 0.00 C ATOM 835 C SER A 130 0.520 -0.158 -8.668 1.00 0.00 C ATOM 836 O SER A 130 1.438 0.635 -8.756 1.00 0.00 O ATOM 837 CB SER A 130 1.151 -2.491 -8.051 1.00 0.00 C ATOM 838 OG SER A 130 1.107 -3.473 -7.026 1.00 0.00 O ATOM 0 H SER A 130 -1.055 -2.630 -7.199 1.00 0.00 H new ATOM 0 HA SER A 130 0.998 -0.755 -6.696 1.00 0.00 H new ATOM 0 HB2 SER A 130 0.635 -2.854 -8.940 1.00 0.00 H new ATOM 0 HB3 SER A 130 2.184 -2.296 -8.339 1.00 0.00 H new ATOM 0 HG SER A 130 2.009 -3.821 -6.867 1.00 0.00 H new ATOM 844 N ASN A 131 -0.458 -0.166 -9.539 1.00 0.00 N ATOM 845 CA ASN A 131 -0.467 0.817 -10.675 1.00 0.00 C ATOM 846 C ASN A 131 -1.008 2.200 -10.257 1.00 0.00 C ATOM 847 O ASN A 131 -1.255 3.045 -11.095 1.00 0.00 O ATOM 848 CB ASN A 131 -1.344 0.185 -11.764 1.00 0.00 C ATOM 849 CG ASN A 131 -2.748 -0.122 -11.229 1.00 0.00 C ATOM 850 OD1 ASN A 131 -2.916 -0.519 -10.092 1.00 0.00 O ATOM 851 ND2 ASN A 131 -3.775 0.037 -12.017 1.00 0.00 N ATOM 0 H ASN A 131 -1.251 -0.808 -9.516 1.00 0.00 H new ATOM 0 HA ASN A 131 0.548 1.005 -11.026 1.00 0.00 H new ATOM 0 HB2 ASN A 131 -1.415 0.861 -12.616 1.00 0.00 H new ATOM 0 HB3 ASN A 131 -0.879 -0.733 -12.123 1.00 0.00 H new ATOM 0 HD21 ASN A 131 -4.714 -0.171 -11.679 1.00 0.00 H new ATOM 0 HD22 ASN A 131 -3.639 0.370 -12.971 1.00 0.00 H new ATOM 858 N TYR A 132 -1.169 2.447 -8.979 1.00 0.00 N ATOM 859 CA TYR A 132 -1.654 3.787 -8.511 1.00 0.00 C ATOM 860 C TYR A 132 -0.820 4.212 -7.299 1.00 0.00 C ATOM 861 O TYR A 132 -1.303 4.879 -6.401 1.00 0.00 O ATOM 862 CB TYR A 132 -3.104 3.578 -8.074 1.00 0.00 C ATOM 863 CG TYR A 132 -4.037 3.650 -9.262 1.00 0.00 C ATOM 864 CD1 TYR A 132 -4.310 2.500 -10.011 1.00 0.00 C ATOM 865 CD2 TYR A 132 -4.645 4.865 -9.603 1.00 0.00 C ATOM 866 CE1 TYR A 132 -5.189 2.565 -11.099 1.00 0.00 C ATOM 867 CE2 TYR A 132 -5.525 4.929 -10.689 1.00 0.00 C ATOM 868 CZ TYR A 132 -5.797 3.778 -11.437 1.00 0.00 C ATOM 869 OH TYR A 132 -6.665 3.839 -12.508 1.00 0.00 O ATOM 0 H TYR A 132 -0.984 1.775 -8.235 1.00 0.00 H new ATOM 0 HA TYR A 132 -1.572 4.549 -9.286 1.00 0.00 H new ATOM 0 HB2 TYR A 132 -3.205 2.610 -7.584 1.00 0.00 H new ATOM 0 HB3 TYR A 132 -3.381 4.336 -7.341 1.00 0.00 H new ATOM 0 HD1 TYR A 132 -3.843 1.562 -9.750 1.00 0.00 H new ATOM 0 HD2 TYR A 132 -4.434 5.754 -9.027 1.00 0.00 H new ATOM 0 HE1 TYR A 132 -5.398 1.677 -11.678 1.00 0.00 H new ATOM 0 HE2 TYR A 132 -5.994 5.866 -10.950 1.00 0.00 H new ATOM 0 HH TYR A 132 -7.000 4.755 -12.606 1.00 0.00 H new ATOM 879 N VAL A 133 0.418 3.798 -7.253 1.00 0.00 N ATOM 880 CA VAL A 133 1.282 4.133 -6.085 1.00 0.00 C ATOM 881 C VAL A 133 2.739 4.283 -6.522 1.00 0.00 C ATOM 882 O VAL A 133 3.109 3.949 -7.633 1.00 0.00 O ATOM 883 CB VAL A 133 1.114 2.931 -5.138 1.00 0.00 C ATOM 884 CG1 VAL A 133 1.496 1.632 -5.856 1.00 0.00 C ATOM 885 CG2 VAL A 133 1.996 3.081 -3.901 1.00 0.00 C ATOM 0 H VAL A 133 0.869 3.240 -7.978 1.00 0.00 H new ATOM 0 HA VAL A 133 1.007 5.076 -5.613 1.00 0.00 H new ATOM 0 HB VAL A 133 0.068 2.896 -4.833 1.00 0.00 H new ATOM 0 HG11 VAL A 133 1.373 0.790 -5.175 1.00 0.00 H new ATOM 0 HG12 VAL A 133 0.852 1.494 -6.725 1.00 0.00 H new ATOM 0 HG13 VAL A 133 2.535 1.687 -6.180 1.00 0.00 H new ATOM 0 HG21 VAL A 133 1.858 2.219 -3.249 1.00 0.00 H new ATOM 0 HG22 VAL A 133 3.041 3.143 -4.205 1.00 0.00 H new ATOM 0 HG23 VAL A 133 1.720 3.989 -3.365 1.00 0.00 H new ATOM 895 N ALA A 134 3.565 4.767 -5.639 1.00 0.00 N ATOM 896 CA ALA A 134 5.015 4.929 -5.965 1.00 0.00 C ATOM 897 C ALA A 134 5.847 4.080 -5.001 1.00 0.00 C ATOM 898 O ALA A 134 5.657 4.124 -3.801 1.00 0.00 O ATOM 899 CB ALA A 134 5.315 6.417 -5.783 1.00 0.00 C ATOM 0 H ALA A 134 3.300 5.060 -4.699 1.00 0.00 H new ATOM 0 HA ALA A 134 5.256 4.604 -6.977 1.00 0.00 H new ATOM 0 HB1 ALA A 134 6.365 6.607 -6.007 1.00 0.00 H new ATOM 0 HB2 ALA A 134 4.689 7.000 -6.459 1.00 0.00 H new ATOM 0 HB3 ALA A 134 5.105 6.707 -4.753 1.00 0.00 H new ATOM 905 N ARG A 135 6.739 3.279 -5.523 1.00 0.00 N ATOM 906 CA ARG A 135 7.555 2.386 -4.665 1.00 0.00 C ATOM 907 C ARG A 135 8.899 3.009 -4.261 1.00 0.00 C ATOM 908 O ARG A 135 9.783 3.198 -5.074 1.00 0.00 O ATOM 909 CB ARG A 135 7.796 1.167 -5.543 1.00 0.00 C ATOM 910 CG ARG A 135 8.482 0.079 -4.730 1.00 0.00 C ATOM 911 CD ARG A 135 7.486 -1.044 -4.418 1.00 0.00 C ATOM 912 NE ARG A 135 8.283 -2.323 -4.472 1.00 0.00 N ATOM 913 CZ ARG A 135 8.909 -2.728 -5.558 1.00 0.00 C ATOM 914 NH1 ARG A 135 8.771 -2.096 -6.700 1.00 0.00 N ATOM 915 NH2 ARG A 135 9.656 -3.795 -5.506 1.00 0.00 N ATOM 0 H ARG A 135 6.935 3.209 -6.521 1.00 0.00 H new ATOM 0 HA ARG A 135 7.046 2.169 -3.726 1.00 0.00 H new ATOM 0 HB2 ARG A 135 6.849 0.798 -5.938 1.00 0.00 H new ATOM 0 HB3 ARG A 135 8.414 1.439 -6.399 1.00 0.00 H new ATOM 0 HG2 ARG A 135 9.332 -0.320 -5.284 1.00 0.00 H new ATOM 0 HG3 ARG A 135 8.874 0.498 -3.803 1.00 0.00 H new ATOM 0 HD2 ARG A 135 7.035 -0.905 -3.436 1.00 0.00 H new ATOM 0 HD3 ARG A 135 6.673 -1.059 -5.143 1.00 0.00 H new ATOM 0 HE ARG A 135 8.340 -2.899 -3.632 1.00 0.00 H new ATOM 0 HH11 ARG A 135 8.170 -1.274 -6.759 1.00 0.00 H new ATOM 0 HH12 ARG A 135 9.265 -2.427 -7.529 1.00 0.00 H new ATOM 0 HH21 ARG A 135 9.752 -4.308 -4.630 1.00 0.00 H new ATOM 0 HH22 ARG A 135 10.145 -4.117 -6.342 1.00 0.00 H new