USER MOD reduce.3.24.130724 H: found=0, std=0, add=262, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 263 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 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 74 TYR OH : rot -130:sc= -0.556 USER MOD Single : A 81 GLN :FLIP amide:sc= -0.212 F(o=-1.8!,f=-0.21) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot 180:sc= -0.166 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 61 -11.327 -0.305 3.654 1.00 0.00 N ATOM 2 CA LYS A 61 -10.943 -1.316 2.630 1.00 0.00 C ATOM 3 C LYS A 61 -9.459 -1.173 2.283 1.00 0.00 C ATOM 4 O LYS A 61 -9.041 -0.204 1.681 1.00 0.00 O ATOM 5 CB LYS A 61 -11.778 -1.100 1.367 1.00 0.00 C ATOM 6 CG LYS A 61 -13.255 -1.362 1.676 1.00 0.00 C ATOM 7 CD LYS A 61 -14.043 -1.434 0.367 1.00 0.00 C ATOM 8 CE LYS A 61 -15.508 -1.758 0.666 1.00 0.00 C ATOM 9 NZ LYS A 61 -16.306 -0.499 0.654 1.00 0.00 N ATOM 0 HA LYS A 61 -11.124 -2.314 3.029 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -11.648 -0.081 1.003 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -11.438 -1.768 0.575 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -13.362 -2.295 2.230 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -13.652 -0.568 2.309 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -13.971 -0.485 -0.165 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -13.617 -2.197 -0.284 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -15.897 -2.455 -0.077 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -15.593 -2.246 1.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -17.302 -0.718 0.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -15.940 0.151 1.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -16.234 -0.051 -0.282 1.00 0.00 H new ATOM 23 N ILE A 62 -8.666 -2.151 2.632 1.00 0.00 N ATOM 24 CA ILE A 62 -7.213 -2.099 2.297 1.00 0.00 C ATOM 25 C ILE A 62 -6.651 -3.521 2.276 1.00 0.00 C ATOM 26 O ILE A 62 -6.853 -4.293 3.193 1.00 0.00 O ATOM 27 CB ILE A 62 -6.417 -1.275 3.321 1.00 0.00 C ATOM 28 CG1 ILE A 62 -7.022 0.127 3.481 1.00 0.00 C ATOM 29 CG2 ILE A 62 -4.972 -1.148 2.826 1.00 0.00 C ATOM 30 CD1 ILE A 62 -6.172 0.941 4.463 1.00 0.00 C ATOM 0 H ILE A 62 -8.963 -2.986 3.136 1.00 0.00 H new ATOM 0 HA ILE A 62 -7.115 -1.623 1.322 1.00 0.00 H new ATOM 0 HB ILE A 62 -6.451 -1.777 4.288 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -7.062 0.630 2.515 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -8.047 0.053 3.845 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -4.392 -0.565 3.542 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -4.533 -2.141 2.726 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -4.962 -0.648 1.858 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -6.601 1.937 4.577 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -6.155 0.440 5.431 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -5.155 1.026 4.080 1.00 0.00 H new ATOM 42 N THR A 63 -5.945 -3.868 1.237 1.00 0.00 N ATOM 43 CA THR A 63 -5.357 -5.236 1.147 1.00 0.00 C ATOM 44 C THR A 63 -3.855 -5.122 0.886 1.00 0.00 C ATOM 45 O THR A 63 -3.430 -4.633 -0.142 1.00 0.00 O ATOM 46 CB THR A 63 -6.017 -6.001 -0.003 1.00 0.00 C ATOM 47 OG1 THR A 63 -7.399 -5.672 -0.055 1.00 0.00 O ATOM 48 CG2 THR A 63 -5.857 -7.506 0.224 1.00 0.00 C ATOM 0 H THR A 63 -5.748 -3.261 0.441 1.00 0.00 H new ATOM 0 HA THR A 63 -5.528 -5.770 2.082 1.00 0.00 H new ATOM 0 HB THR A 63 -5.541 -5.726 -0.944 1.00 0.00 H new ATOM 0 HG1 THR A 63 -7.824 -6.159 -0.792 1.00 0.00 H new ATOM 0 HG21 THR A 63 -6.327 -8.050 -0.595 1.00 0.00 H new ATOM 0 HG22 THR A 63 -4.797 -7.757 0.265 1.00 0.00 H new ATOM 0 HG23 THR A 63 -6.332 -7.785 1.164 1.00 0.00 H new ATOM 56 N PHE A 64 -3.049 -5.572 1.808 1.00 0.00 N ATOM 57 CA PHE A 64 -1.575 -5.491 1.614 1.00 0.00 C ATOM 58 C PHE A 64 -1.059 -6.843 1.093 1.00 0.00 C ATOM 59 O PHE A 64 -1.387 -7.876 1.642 1.00 0.00 O ATOM 60 CB PHE A 64 -0.892 -5.205 2.955 1.00 0.00 C ATOM 61 CG PHE A 64 -1.405 -3.912 3.543 1.00 0.00 C ATOM 62 CD1 PHE A 64 -1.036 -2.689 2.973 1.00 0.00 C ATOM 63 CD2 PHE A 64 -2.237 -3.938 4.668 1.00 0.00 C ATOM 64 CE1 PHE A 64 -1.498 -1.490 3.527 1.00 0.00 C ATOM 65 CE2 PHE A 64 -2.702 -2.740 5.222 1.00 0.00 C ATOM 66 CZ PHE A 64 -2.332 -1.516 4.653 1.00 0.00 C ATOM 0 H PHE A 64 -3.348 -5.992 2.688 1.00 0.00 H new ATOM 0 HA PHE A 64 -1.353 -4.695 0.903 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -1.078 -6.026 3.647 1.00 0.00 H new ATOM 0 HB3 PHE A 64 0.187 -5.145 2.815 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -0.394 -2.670 2.105 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -2.520 -4.883 5.109 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -1.212 -0.546 3.087 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -3.346 -2.760 6.089 1.00 0.00 H new ATOM 0 HZ PHE A 64 -2.689 -0.591 5.082 1.00 0.00 H new ATOM 76 N PRO A 65 -0.238 -6.855 0.068 1.00 0.00 N ATOM 77 CA PRO A 65 0.330 -8.121 -0.472 1.00 0.00 C ATOM 78 C PRO A 65 0.863 -9.036 0.639 1.00 0.00 C ATOM 79 O PRO A 65 1.212 -8.589 1.713 1.00 0.00 O ATOM 80 CB PRO A 65 1.495 -7.653 -1.341 1.00 0.00 C ATOM 81 CG PRO A 65 1.154 -6.264 -1.765 1.00 0.00 C ATOM 82 CD PRO A 65 0.226 -5.682 -0.697 1.00 0.00 C ATOM 0 HA PRO A 65 -0.423 -8.700 -1.007 1.00 0.00 H new ATOM 0 HB2 PRO A 65 2.431 -7.673 -0.783 1.00 0.00 H new ATOM 0 HB3 PRO A 65 1.625 -8.305 -2.205 1.00 0.00 H new ATOM 0 HG2 PRO A 65 2.055 -5.659 -1.863 1.00 0.00 H new ATOM 0 HG3 PRO A 65 0.665 -6.268 -2.739 1.00 0.00 H new ATOM 0 HD2 PRO A 65 0.752 -4.974 -0.057 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -0.610 -5.146 -1.147 1.00 0.00 H new ATOM 90 N SER A 66 0.931 -10.311 0.379 1.00 0.00 N ATOM 91 CA SER A 66 1.442 -11.268 1.403 1.00 0.00 C ATOM 92 C SER A 66 2.903 -10.954 1.748 1.00 0.00 C ATOM 93 O SER A 66 3.502 -11.619 2.569 1.00 0.00 O ATOM 94 CB SER A 66 1.352 -12.692 0.850 1.00 0.00 C ATOM 95 OG SER A 66 1.153 -13.602 1.925 1.00 0.00 O ATOM 0 H SER A 66 0.653 -10.736 -0.505 1.00 0.00 H new ATOM 0 HA SER A 66 0.837 -11.176 2.305 1.00 0.00 H new ATOM 0 HB2 SER A 66 0.530 -12.767 0.138 1.00 0.00 H new ATOM 0 HB3 SER A 66 2.265 -12.943 0.310 1.00 0.00 H new ATOM 0 HG SER A 66 1.093 -14.515 1.574 1.00 0.00 H new ATOM 101 N ASP A 67 3.489 -9.964 1.121 1.00 0.00 N ATOM 102 CA ASP A 67 4.919 -9.642 1.419 1.00 0.00 C ATOM 103 C ASP A 67 5.079 -8.169 1.818 1.00 0.00 C ATOM 104 O ASP A 67 6.181 -7.657 1.860 1.00 0.00 O ATOM 105 CB ASP A 67 5.766 -9.922 0.177 1.00 0.00 C ATOM 106 CG ASP A 67 5.922 -8.636 -0.637 1.00 0.00 C ATOM 107 OD1 ASP A 67 6.848 -7.892 -0.360 1.00 0.00 O ATOM 108 OD2 ASP A 67 5.113 -8.418 -1.522 1.00 0.00 O ATOM 0 H ASP A 67 3.044 -9.370 0.422 1.00 0.00 H new ATOM 0 HA ASP A 67 5.249 -10.264 2.251 1.00 0.00 H new ATOM 0 HB2 ASP A 67 6.745 -10.300 0.470 1.00 0.00 H new ATOM 0 HB3 ASP A 67 5.295 -10.694 -0.431 1.00 0.00 H new ATOM 113 N ILE A 68 4.004 -7.479 2.107 1.00 0.00 N ATOM 114 CA ILE A 68 4.128 -6.038 2.495 1.00 0.00 C ATOM 115 C ILE A 68 3.690 -5.818 3.946 1.00 0.00 C ATOM 116 O ILE A 68 2.610 -6.199 4.355 1.00 0.00 O ATOM 117 CB ILE A 68 3.254 -5.173 1.581 1.00 0.00 C ATOM 118 CG1 ILE A 68 3.884 -5.065 0.182 1.00 0.00 C ATOM 119 CG2 ILE A 68 3.106 -3.776 2.184 1.00 0.00 C ATOM 120 CD1 ILE A 68 5.298 -4.472 0.261 1.00 0.00 C ATOM 0 H ILE A 68 3.053 -7.846 2.092 1.00 0.00 H new ATOM 0 HA ILE A 68 5.176 -5.755 2.393 1.00 0.00 H new ATOM 0 HB ILE A 68 2.273 -5.639 1.491 1.00 0.00 H new ATOM 0 HG12 ILE A 68 3.925 -6.051 -0.280 1.00 0.00 H new ATOM 0 HG13 ILE A 68 3.259 -4.440 -0.455 1.00 0.00 H new ATOM 0 HG21 ILE A 68 2.484 -3.162 1.532 1.00 0.00 H new ATOM 0 HG22 ILE A 68 2.639 -3.851 3.166 1.00 0.00 H new ATOM 0 HG23 ILE A 68 4.090 -3.317 2.284 1.00 0.00 H new ATOM 0 HD11 ILE A 68 5.721 -4.406 -0.741 1.00 0.00 H new ATOM 0 HD12 ILE A 68 5.251 -3.476 0.701 1.00 0.00 H new ATOM 0 HD13 ILE A 68 5.927 -5.112 0.879 1.00 0.00 H new ATOM 132 N ASP A 69 4.534 -5.189 4.712 1.00 0.00 N ATOM 133 CA ASP A 69 4.202 -4.907 6.138 1.00 0.00 C ATOM 134 C ASP A 69 3.491 -3.542 6.220 1.00 0.00 C ATOM 135 O ASP A 69 3.869 -2.611 5.537 1.00 0.00 O ATOM 136 CB ASP A 69 5.494 -4.875 6.958 1.00 0.00 C ATOM 137 CG ASP A 69 5.178 -4.530 8.415 1.00 0.00 C ATOM 138 OD1 ASP A 69 5.012 -3.356 8.702 1.00 0.00 O ATOM 139 OD2 ASP A 69 5.105 -5.446 9.216 1.00 0.00 O ATOM 0 H ASP A 69 5.449 -4.854 4.410 1.00 0.00 H new ATOM 0 HA ASP A 69 3.547 -5.683 6.535 1.00 0.00 H new ATOM 0 HB2 ASP A 69 5.993 -5.843 6.904 1.00 0.00 H new ATOM 0 HB3 ASP A 69 6.181 -4.138 6.542 1.00 0.00 H new ATOM 144 N PRO A 70 2.460 -3.419 7.030 1.00 0.00 N ATOM 145 CA PRO A 70 1.696 -2.140 7.164 1.00 0.00 C ATOM 146 C PRO A 70 2.521 -1.007 7.788 1.00 0.00 C ATOM 147 O PRO A 70 2.402 0.139 7.402 1.00 0.00 O ATOM 148 CB PRO A 70 0.518 -2.499 8.073 1.00 0.00 C ATOM 149 CG PRO A 70 0.943 -3.719 8.817 1.00 0.00 C ATOM 150 CD PRO A 70 1.909 -4.470 7.904 1.00 0.00 C ATOM 0 HA PRO A 70 1.397 -1.763 6.186 1.00 0.00 H new ATOM 0 HB2 PRO A 70 0.288 -1.683 8.758 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -0.383 -2.689 7.490 1.00 0.00 H new ATOM 0 HG2 PRO A 70 1.426 -3.451 9.757 1.00 0.00 H new ATOM 0 HG3 PRO A 70 0.083 -4.340 9.067 1.00 0.00 H new ATOM 0 HD2 PRO A 70 2.693 -4.967 8.475 1.00 0.00 H new ATOM 0 HD3 PRO A 70 1.397 -5.241 7.328 1.00 0.00 H new ATOM 158 N GLN A 71 3.356 -1.311 8.743 1.00 0.00 N ATOM 159 CA GLN A 71 4.179 -0.241 9.377 1.00 0.00 C ATOM 160 C GLN A 71 5.310 0.162 8.430 1.00 0.00 C ATOM 161 O GLN A 71 5.741 1.298 8.422 1.00 0.00 O ATOM 162 CB GLN A 71 4.762 -0.745 10.699 1.00 0.00 C ATOM 163 CG GLN A 71 5.288 0.441 11.510 1.00 0.00 C ATOM 164 CD GLN A 71 5.795 -0.051 12.867 1.00 0.00 C ATOM 165 OE1 GLN A 71 6.357 -1.122 12.967 1.00 0.00 O ATOM 166 NE2 GLN A 71 5.614 0.693 13.925 1.00 0.00 N ATOM 0 H GLN A 71 3.504 -2.251 9.111 1.00 0.00 H new ATOM 0 HA GLN A 71 3.549 0.626 9.577 1.00 0.00 H new ATOM 0 HB2 GLN A 71 3.998 -1.277 11.266 1.00 0.00 H new ATOM 0 HB3 GLN A 71 5.568 -1.454 10.507 1.00 0.00 H new ATOM 0 HG2 GLN A 71 6.093 0.937 10.968 1.00 0.00 H new ATOM 0 HG3 GLN A 71 4.497 1.178 11.651 1.00 0.00 H new ATOM 0 HE21 GLN A 71 5.142 1.593 13.841 1.00 0.00 H new ATOM 0 HE22 GLN A 71 5.945 0.374 14.836 1.00 0.00 H new ATOM 175 N VAL A 72 5.789 -0.741 7.622 1.00 0.00 N ATOM 176 CA VAL A 72 6.881 -0.374 6.678 1.00 0.00 C ATOM 177 C VAL A 72 6.270 0.247 5.419 1.00 0.00 C ATOM 178 O VAL A 72 6.922 0.970 4.692 1.00 0.00 O ATOM 179 CB VAL A 72 7.685 -1.620 6.295 1.00 0.00 C ATOM 180 CG1 VAL A 72 8.931 -1.210 5.504 1.00 0.00 C ATOM 181 CG2 VAL A 72 8.111 -2.362 7.565 1.00 0.00 C ATOM 0 H VAL A 72 5.475 -1.710 7.574 1.00 0.00 H new ATOM 0 HA VAL A 72 7.547 0.343 7.159 1.00 0.00 H new ATOM 0 HB VAL A 72 7.066 -2.272 5.679 1.00 0.00 H new ATOM 0 HG11 VAL A 72 9.500 -2.100 5.234 1.00 0.00 H new ATOM 0 HG12 VAL A 72 8.630 -0.683 4.599 1.00 0.00 H new ATOM 0 HG13 VAL A 72 9.551 -0.555 6.116 1.00 0.00 H new ATOM 0 HG21 VAL A 72 8.683 -3.249 7.293 1.00 0.00 H new ATOM 0 HG22 VAL A 72 8.728 -1.706 8.180 1.00 0.00 H new ATOM 0 HG23 VAL A 72 7.226 -2.659 8.127 1.00 0.00 H new ATOM 191 N PHE A 73 5.020 -0.032 5.155 1.00 0.00 N ATOM 192 CA PHE A 73 4.355 0.530 3.943 1.00 0.00 C ATOM 193 C PHE A 73 3.969 1.992 4.189 1.00 0.00 C ATOM 194 O PHE A 73 4.370 2.882 3.465 1.00 0.00 O ATOM 195 CB PHE A 73 3.091 -0.287 3.664 1.00 0.00 C ATOM 196 CG PHE A 73 2.442 0.180 2.384 1.00 0.00 C ATOM 197 CD1 PHE A 73 3.069 -0.055 1.157 1.00 0.00 C ATOM 198 CD2 PHE A 73 1.207 0.841 2.426 1.00 0.00 C ATOM 199 CE1 PHE A 73 2.464 0.372 -0.030 1.00 0.00 C ATOM 200 CE2 PHE A 73 0.603 1.267 1.238 1.00 0.00 C ATOM 201 CZ PHE A 73 1.234 1.032 0.011 1.00 0.00 C ATOM 0 H PHE A 73 4.428 -0.629 5.732 1.00 0.00 H new ATOM 0 HA PHE A 73 5.035 0.483 3.093 1.00 0.00 H new ATOM 0 HB2 PHE A 73 3.342 -1.345 3.588 1.00 0.00 H new ATOM 0 HB3 PHE A 73 2.392 -0.184 4.494 1.00 0.00 H new ATOM 0 HD1 PHE A 73 4.020 -0.566 1.125 1.00 0.00 H new ATOM 0 HD2 PHE A 73 0.722 1.021 3.374 1.00 0.00 H new ATOM 0 HE1 PHE A 73 2.948 0.191 -0.978 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -0.349 1.776 1.268 1.00 0.00 H new ATOM 0 HZ PHE A 73 0.769 1.362 -0.906 1.00 0.00 H new ATOM 211 N TYR A 74 3.184 2.244 5.201 1.00 0.00 N ATOM 212 CA TYR A 74 2.766 3.646 5.481 1.00 0.00 C ATOM 213 C TYR A 74 4.005 4.509 5.733 1.00 0.00 C ATOM 214 O TYR A 74 3.947 5.722 5.681 1.00 0.00 O ATOM 215 CB TYR A 74 1.845 3.685 6.705 1.00 0.00 C ATOM 216 CG TYR A 74 0.484 3.137 6.341 1.00 0.00 C ATOM 217 CD1 TYR A 74 -0.295 3.773 5.364 1.00 0.00 C ATOM 218 CD2 TYR A 74 -0.004 1.993 6.986 1.00 0.00 C ATOM 219 CE1 TYR A 74 -1.558 3.263 5.035 1.00 0.00 C ATOM 220 CE2 TYR A 74 -1.265 1.484 6.655 1.00 0.00 C ATOM 221 CZ TYR A 74 -2.042 2.119 5.680 1.00 0.00 C ATOM 222 OH TYR A 74 -3.286 1.618 5.355 1.00 0.00 O ATOM 0 H TYR A 74 2.816 1.542 5.843 1.00 0.00 H new ATOM 0 HA TYR A 74 2.223 4.037 4.620 1.00 0.00 H new ATOM 0 HB2 TYR A 74 2.278 3.099 7.516 1.00 0.00 H new ATOM 0 HB3 TYR A 74 1.750 4.709 7.067 1.00 0.00 H new ATOM 0 HD1 TYR A 74 0.078 4.655 4.865 1.00 0.00 H new ATOM 0 HD2 TYR A 74 0.594 1.503 7.740 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -2.159 3.753 4.283 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -1.638 0.601 7.152 1.00 0.00 H new ATOM 0 HH TYR A 74 -3.803 1.468 6.174 1.00 0.00 H new ATOM 232 N GLU A 75 5.128 3.900 5.998 1.00 0.00 N ATOM 233 CA GLU A 75 6.368 4.692 6.241 1.00 0.00 C ATOM 234 C GLU A 75 6.931 5.178 4.903 1.00 0.00 C ATOM 235 O GLU A 75 7.915 5.887 4.855 1.00 0.00 O ATOM 236 CB GLU A 75 7.409 3.807 6.929 1.00 0.00 C ATOM 237 CG GLU A 75 7.458 4.138 8.421 1.00 0.00 C ATOM 238 CD GLU A 75 8.540 3.295 9.096 1.00 0.00 C ATOM 239 OE1 GLU A 75 9.448 2.866 8.402 1.00 0.00 O ATOM 240 OE2 GLU A 75 8.443 3.090 10.295 1.00 0.00 O ATOM 0 H GLU A 75 5.241 2.888 6.057 1.00 0.00 H new ATOM 0 HA GLU A 75 6.134 5.547 6.875 1.00 0.00 H new ATOM 0 HB2 GLU A 75 7.158 2.756 6.787 1.00 0.00 H new ATOM 0 HB3 GLU A 75 8.389 3.964 6.479 1.00 0.00 H new ATOM 0 HG2 GLU A 75 7.667 5.198 8.562 1.00 0.00 H new ATOM 0 HG3 GLU A 75 6.489 3.941 8.880 1.00 0.00 H new ATOM 247 N LEU A 76 6.321 4.793 3.816 1.00 0.00 N ATOM 248 CA LEU A 76 6.833 5.226 2.484 1.00 0.00 C ATOM 249 C LEU A 76 6.137 6.527 2.057 1.00 0.00 C ATOM 250 O LEU A 76 5.016 6.783 2.449 1.00 0.00 O ATOM 251 CB LEU A 76 6.529 4.139 1.452 1.00 0.00 C ATOM 252 CG LEU A 76 7.356 2.888 1.758 1.00 0.00 C ATOM 253 CD1 LEU A 76 6.921 1.752 0.829 1.00 0.00 C ATOM 254 CD2 LEU A 76 8.844 3.184 1.536 1.00 0.00 C ATOM 0 H LEU A 76 5.492 4.199 3.792 1.00 0.00 H new ATOM 0 HA LEU A 76 7.908 5.393 2.548 1.00 0.00 H new ATOM 0 HB2 LEU A 76 5.466 3.897 1.468 1.00 0.00 H new ATOM 0 HB3 LEU A 76 6.758 4.502 0.450 1.00 0.00 H new ATOM 0 HG LEU A 76 7.197 2.595 2.796 1.00 0.00 H new ATOM 0 HD11 LEU A 76 7.509 0.860 1.045 1.00 0.00 H new ATOM 0 HD12 LEU A 76 5.864 1.537 0.987 1.00 0.00 H new ATOM 0 HD13 LEU A 76 7.080 2.049 -0.208 1.00 0.00 H new ATOM 0 HD21 LEU A 76 9.429 2.291 1.755 1.00 0.00 H new ATOM 0 HD22 LEU A 76 9.006 3.479 0.499 1.00 0.00 H new ATOM 0 HD23 LEU A 76 9.156 3.993 2.196 1.00 0.00 H new ATOM 266 N PRO A 77 6.778 7.337 1.241 1.00 0.00 N ATOM 267 CA PRO A 77 6.169 8.608 0.751 1.00 0.00 C ATOM 268 C PRO A 77 4.800 8.367 0.104 1.00 0.00 C ATOM 269 O PRO A 77 4.484 7.272 -0.315 1.00 0.00 O ATOM 270 CB PRO A 77 7.154 9.135 -0.295 1.00 0.00 C ATOM 271 CG PRO A 77 8.453 8.451 -0.026 1.00 0.00 C ATOM 272 CD PRO A 77 8.142 7.145 0.707 1.00 0.00 C ATOM 0 HA PRO A 77 6.002 9.308 1.570 1.00 0.00 H new ATOM 0 HB2 PRO A 77 6.802 8.920 -1.304 1.00 0.00 H new ATOM 0 HB3 PRO A 77 7.261 10.217 -0.219 1.00 0.00 H new ATOM 0 HG2 PRO A 77 8.981 8.251 -0.958 1.00 0.00 H new ATOM 0 HG3 PRO A 77 9.102 9.085 0.578 1.00 0.00 H new ATOM 0 HD2 PRO A 77 8.187 6.290 0.032 1.00 0.00 H new ATOM 0 HD3 PRO A 77 8.859 6.958 1.507 1.00 0.00 H new ATOM 280 N GLU A 78 3.987 9.384 0.021 1.00 0.00 N ATOM 281 CA GLU A 78 2.639 9.219 -0.596 1.00 0.00 C ATOM 282 C GLU A 78 2.775 8.818 -2.071 1.00 0.00 C ATOM 283 O GLU A 78 2.133 7.893 -2.525 1.00 0.00 O ATOM 284 CB GLU A 78 1.872 10.541 -0.495 1.00 0.00 C ATOM 285 CG GLU A 78 1.920 11.048 0.949 1.00 0.00 C ATOM 286 CD GLU A 78 1.115 12.344 1.063 1.00 0.00 C ATOM 287 OE1 GLU A 78 1.022 13.051 0.072 1.00 0.00 O ATOM 288 OE2 GLU A 78 0.604 12.608 2.139 1.00 0.00 O ATOM 0 H GLU A 78 4.198 10.325 0.354 1.00 0.00 H new ATOM 0 HA GLU A 78 2.098 8.435 -0.066 1.00 0.00 H new ATOM 0 HB2 GLU A 78 2.309 11.280 -1.166 1.00 0.00 H new ATOM 0 HB3 GLU A 78 0.838 10.399 -0.808 1.00 0.00 H new ATOM 0 HG2 GLU A 78 1.513 10.295 1.624 1.00 0.00 H new ATOM 0 HG3 GLU A 78 2.953 11.222 1.250 1.00 0.00 H new ATOM 295 N ALA A 79 3.588 9.504 -2.830 1.00 0.00 N ATOM 296 CA ALA A 79 3.730 9.142 -4.272 1.00 0.00 C ATOM 297 C ALA A 79 4.037 7.646 -4.404 1.00 0.00 C ATOM 298 O ALA A 79 3.602 6.992 -5.334 1.00 0.00 O ATOM 299 CB ALA A 79 4.862 9.955 -4.904 1.00 0.00 C ATOM 0 H ALA A 79 4.155 10.292 -2.518 1.00 0.00 H new ATOM 0 HA ALA A 79 2.796 9.366 -4.788 1.00 0.00 H new ATOM 0 HB1 ALA A 79 4.960 9.686 -5.956 1.00 0.00 H new ATOM 0 HB2 ALA A 79 4.637 11.018 -4.821 1.00 0.00 H new ATOM 0 HB3 ALA A 79 5.797 9.741 -4.386 1.00 0.00 H new ATOM 305 N VAL A 80 4.762 7.092 -3.472 1.00 0.00 N ATOM 306 CA VAL A 80 5.077 5.637 -3.539 1.00 0.00 C ATOM 307 C VAL A 80 3.851 4.849 -3.087 1.00 0.00 C ATOM 308 O VAL A 80 3.549 3.790 -3.600 1.00 0.00 O ATOM 309 CB VAL A 80 6.255 5.322 -2.618 1.00 0.00 C ATOM 310 CG1 VAL A 80 6.648 3.853 -2.777 1.00 0.00 C ATOM 311 CG2 VAL A 80 7.443 6.208 -2.993 1.00 0.00 C ATOM 0 H VAL A 80 5.150 7.584 -2.667 1.00 0.00 H new ATOM 0 HA VAL A 80 5.341 5.362 -4.560 1.00 0.00 H new ATOM 0 HB VAL A 80 5.969 5.512 -1.584 1.00 0.00 H new ATOM 0 HG11 VAL A 80 7.488 3.628 -2.120 1.00 0.00 H new ATOM 0 HG12 VAL A 80 5.801 3.219 -2.513 1.00 0.00 H new ATOM 0 HG13 VAL A 80 6.935 3.663 -3.811 1.00 0.00 H new ATOM 0 HG21 VAL A 80 8.285 5.985 -2.337 1.00 0.00 H new ATOM 0 HG22 VAL A 80 7.728 6.016 -4.027 1.00 0.00 H new ATOM 0 HG23 VAL A 80 7.165 7.256 -2.882 1.00 0.00 H new ATOM 321 N GLN A 81 3.135 5.372 -2.132 1.00 0.00 N ATOM 322 CA GLN A 81 1.916 4.677 -1.641 1.00 0.00 C ATOM 323 C GLN A 81 0.914 4.541 -2.790 1.00 0.00 C ATOM 324 O GLN A 81 0.345 3.491 -3.015 1.00 0.00 O ATOM 325 CB GLN A 81 1.289 5.507 -0.515 1.00 0.00 C ATOM 326 CG GLN A 81 0.157 4.718 0.148 1.00 0.00 C ATOM 327 CD GLN A 81 0.262 4.865 1.666 1.00 0.00 C ATOM 328 OE1 GLN A 81 1.425 4.737 2.242 1.00 0.00 O flip ATOM 329 NE2 GLN A 81 -0.725 5.099 2.335 1.00 0.00 N flip ATOM 0 H GLN A 81 3.344 6.256 -1.669 1.00 0.00 H new ATOM 0 HA GLN A 81 2.178 3.687 -1.268 1.00 0.00 H new ATOM 0 HB2 GLN A 81 2.047 5.763 0.225 1.00 0.00 H new ATOM 0 HB3 GLN A 81 0.904 6.445 -0.914 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -0.809 5.085 -0.199 1.00 0.00 H new ATOM 0 HG3 GLN A 81 0.218 3.666 -0.132 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -1.635 5.199 1.884 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -0.644 5.195 3.347 1.00 0.00 H new ATOM 338 N LYS A 82 0.688 5.607 -3.511 1.00 0.00 N ATOM 339 CA LYS A 82 -0.285 5.568 -4.641 1.00 0.00 C ATOM 340 C LYS A 82 0.189 4.600 -5.727 1.00 0.00 C ATOM 341 O LYS A 82 -0.560 3.766 -6.192 1.00 0.00 O ATOM 342 CB LYS A 82 -0.410 6.968 -5.244 1.00 0.00 C ATOM 343 CG LYS A 82 -1.528 7.731 -4.534 1.00 0.00 C ATOM 344 CD LYS A 82 -1.168 7.897 -3.058 1.00 0.00 C ATOM 345 CE LYS A 82 -2.027 9.003 -2.446 1.00 0.00 C ATOM 346 NZ LYS A 82 -2.106 8.812 -0.970 1.00 0.00 N ATOM 0 H LYS A 82 1.139 6.510 -3.364 1.00 0.00 H new ATOM 0 HA LYS A 82 -1.249 5.230 -4.261 1.00 0.00 H new ATOM 0 HB2 LYS A 82 0.533 7.505 -5.142 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -0.623 6.898 -6.311 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -1.669 8.707 -4.998 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -2.471 7.192 -4.632 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -1.329 6.960 -2.526 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -0.111 8.144 -2.956 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -1.599 9.979 -2.675 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -3.027 8.984 -2.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -2.691 9.565 -0.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -2.533 7.887 -0.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -1.150 8.851 -0.563 1.00 0.00 H new ATOM 360 N GLU A 83 1.417 4.712 -6.152 1.00 0.00 N ATOM 361 CA GLU A 83 1.908 3.800 -7.224 1.00 0.00 C ATOM 362 C GLU A 83 1.803 2.344 -6.757 1.00 0.00 C ATOM 363 O GLU A 83 1.438 1.466 -7.516 1.00 0.00 O ATOM 364 CB GLU A 83 3.364 4.130 -7.561 1.00 0.00 C ATOM 365 CG GLU A 83 3.438 5.496 -8.249 1.00 0.00 C ATOM 366 CD GLU A 83 3.982 5.324 -9.668 1.00 0.00 C ATOM 367 OE1 GLU A 83 3.586 4.373 -10.323 1.00 0.00 O ATOM 368 OE2 GLU A 83 4.787 6.145 -10.076 1.00 0.00 O ATOM 0 H GLU A 83 2.097 5.389 -5.807 1.00 0.00 H new ATOM 0 HA GLU A 83 1.295 3.936 -8.115 1.00 0.00 H new ATOM 0 HB2 GLU A 83 3.965 4.137 -6.652 1.00 0.00 H new ATOM 0 HB3 GLU A 83 3.780 3.361 -8.212 1.00 0.00 H new ATOM 0 HG2 GLU A 83 2.449 5.953 -8.280 1.00 0.00 H new ATOM 0 HG3 GLU A 83 4.082 6.167 -7.680 1.00 0.00 H new ATOM 375 N LEU A 84 2.109 2.074 -5.519 1.00 0.00 N ATOM 376 CA LEU A 84 2.015 0.669 -5.036 1.00 0.00 C ATOM 377 C LEU A 84 0.541 0.282 -4.899 1.00 0.00 C ATOM 378 O LEU A 84 0.155 -0.831 -5.198 1.00 0.00 O ATOM 379 CB LEU A 84 2.740 0.528 -3.695 1.00 0.00 C ATOM 380 CG LEU A 84 4.236 0.790 -3.903 1.00 0.00 C ATOM 381 CD1 LEU A 84 4.972 0.729 -2.563 1.00 0.00 C ATOM 382 CD2 LEU A 84 4.811 -0.273 -4.842 1.00 0.00 C ATOM 0 H LEU A 84 2.417 2.757 -4.827 1.00 0.00 H new ATOM 0 HA LEU A 84 2.492 -0.000 -5.752 1.00 0.00 H new ATOM 0 HB2 LEU A 84 2.332 1.233 -2.971 1.00 0.00 H new ATOM 0 HB3 LEU A 84 2.586 -0.471 -3.288 1.00 0.00 H new ATOM 0 HG LEU A 84 4.366 1.781 -4.338 1.00 0.00 H new ATOM 0 HD11 LEU A 84 6.034 0.916 -2.722 1.00 0.00 H new ATOM 0 HD12 LEU A 84 4.567 1.485 -1.891 1.00 0.00 H new ATOM 0 HD13 LEU A 84 4.840 -0.258 -2.120 1.00 0.00 H new ATOM 0 HD21 LEU A 84 5.875 -0.089 -4.992 1.00 0.00 H new ATOM 0 HD22 LEU A 84 4.672 -1.261 -4.402 1.00 0.00 H new ATOM 0 HD23 LEU A 84 4.296 -0.227 -5.802 1.00 0.00 H new ATOM 394 N LEU A 85 -0.295 1.191 -4.472 1.00 0.00 N ATOM 395 CA LEU A 85 -1.743 0.856 -4.354 1.00 0.00 C ATOM 396 C LEU A 85 -2.320 0.682 -5.759 1.00 0.00 C ATOM 397 O LEU A 85 -3.155 -0.168 -5.997 1.00 0.00 O ATOM 398 CB LEU A 85 -2.490 1.983 -3.630 1.00 0.00 C ATOM 399 CG LEU A 85 -2.218 1.908 -2.126 1.00 0.00 C ATOM 400 CD1 LEU A 85 -2.596 3.238 -1.473 1.00 0.00 C ATOM 401 CD2 LEU A 85 -3.057 0.787 -1.503 1.00 0.00 C ATOM 0 H LEU A 85 -0.041 2.141 -4.202 1.00 0.00 H new ATOM 0 HA LEU A 85 -1.859 -0.064 -3.782 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -2.171 2.950 -4.018 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -3.560 1.901 -3.819 1.00 0.00 H new ATOM 0 HG LEU A 85 -1.160 1.704 -1.964 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -2.403 3.185 -0.402 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -2.001 4.040 -1.910 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -3.654 3.438 -1.641 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -2.860 0.737 -0.432 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -4.115 0.990 -1.668 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -2.793 -0.164 -1.965 1.00 0.00 H new ATOM 413 N ALA A 86 -1.874 1.476 -6.697 1.00 0.00 N ATOM 414 CA ALA A 86 -2.390 1.349 -8.088 1.00 0.00 C ATOM 415 C ALA A 86 -2.043 -0.040 -8.623 1.00 0.00 C ATOM 416 O ALA A 86 -2.791 -0.634 -9.375 1.00 0.00 O ATOM 417 CB ALA A 86 -1.741 2.416 -8.973 1.00 0.00 C ATOM 0 H ALA A 86 -1.175 2.206 -6.558 1.00 0.00 H new ATOM 0 HA ALA A 86 -3.471 1.486 -8.094 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -2.119 2.323 -9.991 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -1.982 3.406 -8.586 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -0.660 2.280 -8.973 1.00 0.00 H new ATOM 423 N GLU A 87 -0.917 -0.569 -8.226 1.00 0.00 N ATOM 424 CA GLU A 87 -0.526 -1.929 -8.696 1.00 0.00 C ATOM 425 C GLU A 87 -1.359 -2.974 -7.948 1.00 0.00 C ATOM 426 O GLU A 87 -1.728 -3.997 -8.496 1.00 0.00 O ATOM 427 CB GLU A 87 0.961 -2.163 -8.425 1.00 0.00 C ATOM 428 CG GLU A 87 1.373 -3.524 -8.990 1.00 0.00 C ATOM 429 CD GLU A 87 2.847 -3.787 -8.672 1.00 0.00 C ATOM 430 OE1 GLU A 87 3.685 -3.090 -9.219 1.00 0.00 O ATOM 431 OE2 GLU A 87 3.112 -4.684 -7.888 1.00 0.00 O ATOM 0 H GLU A 87 -0.252 -0.119 -7.597 1.00 0.00 H new ATOM 0 HA GLU A 87 -0.707 -2.013 -9.768 1.00 0.00 H new ATOM 0 HB2 GLU A 87 1.554 -1.372 -8.884 1.00 0.00 H new ATOM 0 HB3 GLU A 87 1.157 -2.128 -7.353 1.00 0.00 H new ATOM 0 HG2 GLU A 87 0.752 -4.310 -8.561 1.00 0.00 H new ATOM 0 HG3 GLU A 87 1.214 -3.545 -10.068 1.00 0.00 H new ATOM 438 N TRP A 88 -1.676 -2.719 -6.708 1.00 0.00 N ATOM 439 CA TRP A 88 -2.500 -3.692 -5.938 1.00 0.00 C ATOM 440 C TRP A 88 -3.914 -3.713 -6.521 1.00 0.00 C ATOM 441 O TRP A 88 -4.568 -4.735 -6.565 1.00 0.00 O ATOM 442 CB TRP A 88 -2.572 -3.258 -4.472 1.00 0.00 C ATOM 443 CG TRP A 88 -1.197 -3.175 -3.887 1.00 0.00 C ATOM 444 CD1 TRP A 88 -0.049 -3.553 -4.505 1.00 0.00 C ATOM 445 CD2 TRP A 88 -0.810 -2.687 -2.570 1.00 0.00 C ATOM 446 NE1 TRP A 88 1.012 -3.327 -3.644 1.00 0.00 N ATOM 447 CE2 TRP A 88 0.592 -2.796 -2.443 1.00 0.00 C ATOM 448 CE3 TRP A 88 -1.536 -2.167 -1.483 1.00 0.00 C ATOM 449 CZ2 TRP A 88 1.255 -2.403 -1.281 1.00 0.00 C ATOM 450 CZ3 TRP A 88 -0.872 -1.771 -0.310 1.00 0.00 C ATOM 451 CH2 TRP A 88 0.521 -1.889 -0.210 1.00 0.00 C ATOM 0 H TRP A 88 -1.401 -1.881 -6.196 1.00 0.00 H new ATOM 0 HA TRP A 88 -2.051 -4.683 -6.002 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -3.066 -2.289 -4.396 1.00 0.00 H new ATOM 0 HB3 TRP A 88 -3.174 -3.968 -3.905 1.00 0.00 H new ATOM 0 HD1 TRP A 88 0.025 -3.962 -5.502 1.00 0.00 H new ATOM 0 HE1 TRP A 88 1.986 -3.529 -3.871 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -2.610 -2.072 -1.551 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 2.329 -2.495 -1.210 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -1.438 -1.373 0.519 1.00 0.00 H new ATOM 0 HH2 TRP A 88 1.026 -1.583 0.694 1.00 0.00 H new ATOM 462 N LYS A 89 -4.390 -2.579 -6.960 1.00 0.00 N ATOM 463 CA LYS A 89 -5.762 -2.507 -7.535 1.00 0.00 C ATOM 464 C LYS A 89 -5.777 -3.118 -8.941 1.00 0.00 C ATOM 465 O LYS A 89 -6.742 -3.741 -9.336 1.00 0.00 O ATOM 466 CB LYS A 89 -6.215 -1.037 -7.579 1.00 0.00 C ATOM 467 CG LYS A 89 -6.385 -0.562 -9.028 1.00 0.00 C ATOM 468 CD LYS A 89 -6.743 0.926 -9.035 1.00 0.00 C ATOM 469 CE LYS A 89 -7.546 1.249 -10.297 1.00 0.00 C ATOM 470 NZ LYS A 89 -7.763 2.720 -10.387 1.00 0.00 N ATOM 0 H LYS A 89 -3.883 -1.694 -6.944 1.00 0.00 H new ATOM 0 HA LYS A 89 -6.451 -3.075 -6.910 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -7.157 -0.926 -7.042 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -5.482 -0.411 -7.070 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -5.465 -0.729 -9.588 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -7.167 -1.138 -9.522 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -7.324 1.176 -8.147 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -5.836 1.530 -9.003 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -7.014 0.895 -11.180 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -8.504 0.730 -10.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -8.309 2.939 -11.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -8.288 3.045 -9.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -6.844 3.205 -10.429 1.00 0.00 H new ATOM 484 N ARG A 90 -4.730 -2.950 -9.706 1.00 0.00 N ATOM 485 CA ARG A 90 -4.733 -3.536 -11.077 1.00 0.00 C ATOM 486 C ARG A 90 -4.819 -5.060 -10.965 1.00 0.00 C ATOM 487 O ARG A 90 -5.585 -5.699 -11.658 1.00 0.00 O ATOM 488 CB ARG A 90 -3.457 -3.138 -11.824 1.00 0.00 C ATOM 489 CG ARG A 90 -3.785 -2.046 -12.845 1.00 0.00 C ATOM 490 CD ARG A 90 -2.509 -1.627 -13.577 1.00 0.00 C ATOM 491 NE ARG A 90 -2.209 -2.611 -14.656 1.00 0.00 N ATOM 492 CZ ARG A 90 -1.013 -2.659 -15.179 1.00 0.00 C ATOM 493 NH1 ARG A 90 -0.084 -1.848 -14.757 1.00 0.00 N ATOM 494 NH2 ARG A 90 -0.748 -3.521 -16.122 1.00 0.00 N ATOM 0 H ARG A 90 -3.886 -2.440 -9.446 1.00 0.00 H new ATOM 0 HA ARG A 90 -5.591 -3.158 -11.633 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -2.707 -2.779 -11.119 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -3.031 -4.006 -12.328 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -4.522 -2.412 -13.559 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -4.227 -1.186 -12.343 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -2.631 -0.631 -14.002 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -1.676 -1.574 -12.876 1.00 0.00 H new ATOM 0 HE ARG A 90 -2.936 -3.246 -14.985 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -0.291 -1.176 -14.018 1.00 0.00 H new ATOM 0 HH12 ARG A 90 0.850 -1.886 -15.165 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -1.475 -4.157 -16.450 1.00 0.00 H new ATOM 0 HH22 ARG A 90 0.186 -3.559 -16.531 1.00 0.00 H new ATOM 508 N THR A 91 -4.053 -5.648 -10.085 1.00 0.00 N ATOM 509 CA THR A 91 -4.114 -7.129 -9.923 1.00 0.00 C ATOM 510 C THR A 91 -5.105 -7.464 -8.805 1.00 0.00 C ATOM 511 O THR A 91 -5.885 -8.390 -8.912 1.00 0.00 O ATOM 512 CB THR A 91 -2.725 -7.664 -9.560 1.00 0.00 C ATOM 513 OG1 THR A 91 -2.519 -7.530 -8.162 1.00 0.00 O ATOM 514 CG2 THR A 91 -1.657 -6.870 -10.316 1.00 0.00 C ATOM 0 H THR A 91 -3.391 -5.169 -9.474 1.00 0.00 H new ATOM 0 HA THR A 91 -4.440 -7.591 -10.855 1.00 0.00 H new ATOM 0 HB THR A 91 -2.655 -8.716 -9.838 1.00 0.00 H new ATOM 0 HG1 THR A 91 -1.632 -7.873 -7.928 1.00 0.00 H new ATOM 0 HG21 THR A 91 -0.669 -7.251 -10.057 1.00 0.00 H new ATOM 0 HG22 THR A 91 -1.817 -6.975 -11.389 1.00 0.00 H new ATOM 0 HG23 THR A 91 -1.723 -5.817 -10.041 1.00 0.00 H new ATOM 522 N GLY A 92 -5.082 -6.713 -7.738 1.00 0.00 N ATOM 523 CA GLY A 92 -6.025 -6.977 -6.612 1.00 0.00 C ATOM 524 C GLY A 92 -5.258 -7.555 -5.421 1.00 0.00 C ATOM 525 O GLY A 92 -5.837 -8.110 -4.509 1.00 0.00 O ATOM 0 H GLY A 92 -4.449 -5.926 -7.596 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -6.526 -6.054 -6.321 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -6.800 -7.674 -6.930 1.00 0.00 H new TER 529 GLY A 92