USER MOD reduce.3.24.130724 H: found=0, std=0, add=573, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 576 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 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 8 MET CE :methyl -163:sc= -1.59 (180deg=-2.76!) USER MOD Single : A 9 LYS NZ :NH3+ -140:sc= 0.571 (180deg=-0.297!) USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.108 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ -173:sc= 1.22 (180deg=1.18) USER MOD Single : A 42 THR OG1 : rot -20:sc= 0.323 USER MOD Single : A 46 LYS NZ :NH3+ -141:sc= 1.09 (180deg=0.398) USER MOD Single : A 47 LYS NZ :NH3+ 164:sc= 2.42 (180deg=1.18) USER MOD Single : A 48 ASN : amide:sc= 1.14 K(o=1.1,f=-0.063) USER MOD Single : A 50 GLN : amide:sc= -0.735 K(o=-0.74,f=-4.9!) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 4 7.052 18.346 8.201 1.00 0.00 N ATOM 2 CA MET A 4 6.675 17.650 6.949 1.00 0.00 C ATOM 3 C MET A 4 7.827 16.775 6.475 1.00 0.00 C ATOM 4 O MET A 4 8.915 17.272 6.184 1.00 0.00 O ATOM 5 CB MET A 4 6.313 18.661 5.859 1.00 0.00 C ATOM 6 CG MET A 4 5.863 18.020 4.555 1.00 0.00 C ATOM 7 SD MET A 4 5.550 19.231 3.256 1.00 0.00 S ATOM 8 CE MET A 4 4.966 18.166 1.939 1.00 0.00 C ATOM 0 HA MET A 4 5.804 17.025 7.150 1.00 0.00 H new ATOM 0 HB2 MET A 4 5.519 19.310 6.227 1.00 0.00 H new ATOM 0 HB3 MET A 4 7.178 19.295 5.662 1.00 0.00 H new ATOM 0 HG2 MET A 4 6.627 17.320 4.217 1.00 0.00 H new ATOM 0 HG3 MET A 4 4.956 17.442 4.733 1.00 0.00 H new ATOM 0 HE1 MET A 4 4.730 18.768 1.062 1.00 0.00 H new ATOM 0 HE2 MET A 4 5.741 17.443 1.685 1.00 0.00 H new ATOM 0 HE3 MET A 4 4.071 17.638 2.268 1.00 0.00 H new ATOM 20 N VAL A 5 7.590 15.476 6.401 1.00 0.00 N ATOM 21 CA VAL A 5 8.629 14.542 5.999 1.00 0.00 C ATOM 22 C VAL A 5 8.634 14.344 4.485 1.00 0.00 C ATOM 23 O VAL A 5 7.588 14.145 3.866 1.00 0.00 O ATOM 24 CB VAL A 5 8.482 13.177 6.718 1.00 0.00 C ATOM 25 CG1 VAL A 5 7.144 12.521 6.407 1.00 0.00 C ATOM 26 CG2 VAL A 5 9.632 12.249 6.355 1.00 0.00 C ATOM 0 H VAL A 5 6.690 15.045 6.613 1.00 0.00 H new ATOM 0 HA VAL A 5 9.583 14.977 6.296 1.00 0.00 H new ATOM 0 HB VAL A 5 8.516 13.366 7.791 1.00 0.00 H new ATOM 0 HG11 VAL A 5 7.077 11.566 6.928 1.00 0.00 H new ATOM 0 HG12 VAL A 5 6.334 13.172 6.737 1.00 0.00 H new ATOM 0 HG13 VAL A 5 7.061 12.354 5.333 1.00 0.00 H new ATOM 0 HG21 VAL A 5 9.508 11.297 6.871 1.00 0.00 H new ATOM 0 HG22 VAL A 5 9.637 12.080 5.278 1.00 0.00 H new ATOM 0 HG23 VAL A 5 10.576 12.704 6.655 1.00 0.00 H new ATOM 36 N ILE A 6 9.814 14.438 3.890 1.00 0.00 N ATOM 37 CA ILE A 6 9.974 14.203 2.464 1.00 0.00 C ATOM 38 C ILE A 6 10.924 13.031 2.246 1.00 0.00 C ATOM 39 O ILE A 6 12.043 13.033 2.753 1.00 0.00 O ATOM 40 CB ILE A 6 10.516 15.453 1.736 1.00 0.00 C ATOM 41 CG1 ILE A 6 9.586 16.647 1.974 1.00 0.00 C ATOM 42 CG2 ILE A 6 10.665 15.182 0.244 1.00 0.00 C ATOM 43 CD1 ILE A 6 10.073 17.935 1.347 1.00 0.00 C ATOM 0 H ILE A 6 10.678 14.677 4.376 1.00 0.00 H new ATOM 0 HA ILE A 6 8.993 13.974 2.048 1.00 0.00 H new ATOM 0 HB ILE A 6 11.500 15.691 2.139 1.00 0.00 H new ATOM 0 HG12 ILE A 6 8.599 16.411 1.577 1.00 0.00 H new ATOM 0 HG13 ILE A 6 9.470 16.797 3.047 1.00 0.00 H new ATOM 0 HG21 ILE A 6 11.048 16.074 -0.251 1.00 0.00 H new ATOM 0 HG22 ILE A 6 11.360 14.356 0.092 1.00 0.00 H new ATOM 0 HG23 ILE A 6 9.694 14.922 -0.177 1.00 0.00 H new ATOM 0 HD11 ILE A 6 9.362 18.734 1.559 1.00 0.00 H new ATOM 0 HD12 ILE A 6 11.047 18.196 1.762 1.00 0.00 H new ATOM 0 HD13 ILE A 6 10.161 17.804 0.268 1.00 0.00 H new ATOM 55 N GLY A 7 10.467 12.031 1.507 1.00 0.00 N ATOM 56 CA GLY A 7 11.274 10.847 1.294 1.00 0.00 C ATOM 57 C GLY A 7 10.887 9.737 2.245 1.00 0.00 C ATOM 58 O GLY A 7 11.663 9.355 3.116 1.00 0.00 O ATOM 0 H GLY A 7 9.554 12.018 1.052 1.00 0.00 H new ATOM 0 HA2 GLY A 7 11.156 10.505 0.266 1.00 0.00 H new ATOM 0 HA3 GLY A 7 12.327 11.093 1.429 1.00 0.00 H new ATOM 62 N MET A 8 9.681 9.222 2.064 1.00 0.00 N ATOM 63 CA MET A 8 9.116 8.231 2.970 1.00 0.00 C ATOM 64 C MET A 8 9.519 6.821 2.560 1.00 0.00 C ATOM 65 O MET A 8 9.725 6.546 1.379 1.00 0.00 O ATOM 66 CB MET A 8 7.586 8.322 2.961 1.00 0.00 C ATOM 67 CG MET A 8 6.979 7.940 1.617 1.00 0.00 C ATOM 68 SD MET A 8 5.182 8.024 1.593 1.00 0.00 S ATOM 69 CE MET A 8 4.862 7.279 0.001 1.00 0.00 C ATOM 0 H MET A 8 9.068 9.477 1.290 1.00 0.00 H new ATOM 0 HA MET A 8 9.501 8.438 3.969 1.00 0.00 H new ATOM 0 HB2 MET A 8 7.183 7.669 3.735 1.00 0.00 H new ATOM 0 HB3 MET A 8 7.286 9.339 3.214 1.00 0.00 H new ATOM 0 HG2 MET A 8 7.376 8.601 0.847 1.00 0.00 H new ATOM 0 HG3 MET A 8 7.291 6.928 1.361 1.00 0.00 H new ATOM 0 HE1 MET A 8 3.846 7.516 -0.314 1.00 0.00 H new ATOM 0 HE2 MET A 8 5.569 7.668 -0.732 1.00 0.00 H new ATOM 0 HE3 MET A 8 4.976 6.198 0.076 1.00 0.00 H new ATOM 79 N LYS A 9 9.627 5.933 3.530 1.00 0.00 N ATOM 80 CA LYS A 9 9.767 4.516 3.239 1.00 0.00 C ATOM 81 C LYS A 9 8.749 3.732 4.057 1.00 0.00 C ATOM 82 O LYS A 9 8.628 3.923 5.266 1.00 0.00 O ATOM 83 CB LYS A 9 11.199 4.000 3.492 1.00 0.00 C ATOM 84 CG LYS A 9 11.597 3.894 4.958 1.00 0.00 C ATOM 85 CD LYS A 9 11.823 5.254 5.580 1.00 0.00 C ATOM 86 CE LYS A 9 11.948 5.160 7.085 1.00 0.00 C ATOM 87 NZ LYS A 9 12.047 6.505 7.705 1.00 0.00 N ATOM 0 H LYS A 9 9.621 6.165 4.523 1.00 0.00 H new ATOM 0 HA LYS A 9 9.574 4.368 2.176 1.00 0.00 H new ATOM 0 HB2 LYS A 9 11.301 3.017 3.032 1.00 0.00 H new ATOM 0 HB3 LYS A 9 11.902 4.663 2.988 1.00 0.00 H new ATOM 0 HG2 LYS A 9 10.817 3.368 5.509 1.00 0.00 H new ATOM 0 HG3 LYS A 9 12.506 3.299 5.045 1.00 0.00 H new ATOM 0 HD2 LYS A 9 12.727 5.699 5.166 1.00 0.00 H new ATOM 0 HD3 LYS A 9 10.995 5.915 5.323 1.00 0.00 H new ATOM 0 HE2 LYS A 9 11.085 4.633 7.491 1.00 0.00 H new ATOM 0 HE3 LYS A 9 12.830 4.573 7.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 12.745 6.481 8.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 12.346 7.197 6.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 11.119 6.781 8.086 1.00 0.00 H new ATOM 101 N PHE A 10 7.997 2.877 3.393 1.00 0.00 N ATOM 102 CA PHE A 10 6.953 2.105 4.047 1.00 0.00 C ATOM 103 C PHE A 10 7.160 0.625 3.781 1.00 0.00 C ATOM 104 O PHE A 10 7.749 0.248 2.772 1.00 0.00 O ATOM 105 CB PHE A 10 5.567 2.547 3.557 1.00 0.00 C ATOM 106 CG PHE A 10 5.361 2.389 2.071 1.00 0.00 C ATOM 107 CD1 PHE A 10 5.795 3.366 1.186 1.00 0.00 C ATOM 108 CD2 PHE A 10 4.736 1.261 1.563 1.00 0.00 C ATOM 109 CE1 PHE A 10 5.609 3.219 -0.176 1.00 0.00 C ATOM 110 CE2 PHE A 10 4.549 1.108 0.202 1.00 0.00 C ATOM 111 CZ PHE A 10 4.986 2.089 -0.667 1.00 0.00 C ATOM 0 H PHE A 10 8.089 2.697 2.393 1.00 0.00 H new ATOM 0 HA PHE A 10 7.008 2.283 5.121 1.00 0.00 H new ATOM 0 HB2 PHE A 10 4.806 1.969 4.082 1.00 0.00 H new ATOM 0 HB3 PHE A 10 5.415 3.592 3.825 1.00 0.00 H new ATOM 0 HD1 PHE A 10 6.284 4.251 1.566 1.00 0.00 H new ATOM 0 HD2 PHE A 10 4.391 0.492 2.239 1.00 0.00 H new ATOM 0 HE1 PHE A 10 5.950 3.987 -0.855 1.00 0.00 H new ATOM 0 HE2 PHE A 10 4.062 0.223 -0.181 1.00 0.00 H new ATOM 0 HZ PHE A 10 4.840 1.972 -1.731 1.00 0.00 H new ATOM 121 N THR A 11 6.689 -0.217 4.680 1.00 0.00 N ATOM 122 CA THR A 11 6.849 -1.645 4.499 1.00 0.00 C ATOM 123 C THR A 11 5.505 -2.289 4.193 1.00 0.00 C ATOM 124 O THR A 11 4.582 -2.239 5.007 1.00 0.00 O ATOM 125 CB THR A 11 7.472 -2.296 5.745 1.00 0.00 C ATOM 126 OG1 THR A 11 8.440 -1.407 6.317 1.00 0.00 O ATOM 127 CG2 THR A 11 8.148 -3.610 5.384 1.00 0.00 C ATOM 0 H THR A 11 6.199 0.058 5.531 1.00 0.00 H new ATOM 0 HA THR A 11 7.524 -1.805 3.658 1.00 0.00 H new ATOM 0 HB THR A 11 6.679 -2.496 6.465 1.00 0.00 H new ATOM 0 HG1 THR A 11 8.835 -1.822 7.112 1.00 0.00 H new ATOM 0 HG21 THR A 11 8.582 -4.054 6.280 1.00 0.00 H new ATOM 0 HG22 THR A 11 7.412 -4.293 4.960 1.00 0.00 H new ATOM 0 HG23 THR A 11 8.935 -3.425 4.653 1.00 0.00 H new ATOM 135 N VAL A 12 5.400 -2.879 3.016 1.00 0.00 N ATOM 136 CA VAL A 12 4.166 -3.511 2.589 1.00 0.00 C ATOM 137 C VAL A 12 4.344 -5.021 2.501 1.00 0.00 C ATOM 138 O VAL A 12 5.238 -5.517 1.819 1.00 0.00 O ATOM 139 CB VAL A 12 3.674 -2.947 1.229 1.00 0.00 C ATOM 140 CG1 VAL A 12 4.779 -2.980 0.183 1.00 0.00 C ATOM 141 CG2 VAL A 12 2.450 -3.708 0.734 1.00 0.00 C ATOM 0 H VAL A 12 6.159 -2.933 2.336 1.00 0.00 H new ATOM 0 HA VAL A 12 3.405 -3.286 3.337 1.00 0.00 H new ATOM 0 HB VAL A 12 3.392 -1.906 1.389 1.00 0.00 H new ATOM 0 HG11 VAL A 12 4.402 -2.578 -0.758 1.00 0.00 H new ATOM 0 HG12 VAL A 12 5.621 -2.377 0.524 1.00 0.00 H new ATOM 0 HG13 VAL A 12 5.107 -4.009 0.033 1.00 0.00 H new ATOM 0 HG21 VAL A 12 2.125 -3.293 -0.220 1.00 0.00 H new ATOM 0 HG22 VAL A 12 2.703 -4.760 0.605 1.00 0.00 H new ATOM 0 HG23 VAL A 12 1.645 -3.615 1.463 1.00 0.00 H new ATOM 151 N ILE A 13 3.512 -5.756 3.219 1.00 0.00 N ATOM 152 CA ILE A 13 3.571 -7.203 3.164 1.00 0.00 C ATOM 153 C ILE A 13 2.679 -7.684 2.017 1.00 0.00 C ATOM 154 O ILE A 13 1.489 -7.364 1.955 1.00 0.00 O ATOM 155 CB ILE A 13 3.195 -7.845 4.538 1.00 0.00 C ATOM 156 CG1 ILE A 13 3.668 -9.309 4.634 1.00 0.00 C ATOM 157 CG2 ILE A 13 1.701 -7.745 4.822 1.00 0.00 C ATOM 158 CD1 ILE A 13 2.864 -10.295 3.811 1.00 0.00 C ATOM 0 H ILE A 13 2.796 -5.378 3.840 1.00 0.00 H new ATOM 0 HA ILE A 13 4.593 -7.526 2.965 1.00 0.00 H new ATOM 0 HB ILE A 13 3.719 -7.272 5.302 1.00 0.00 H new ATOM 0 HG12 ILE A 13 4.710 -9.360 4.319 1.00 0.00 H new ATOM 0 HG13 ILE A 13 3.635 -9.618 5.679 1.00 0.00 H new ATOM 0 HG21 ILE A 13 1.483 -8.203 5.787 1.00 0.00 H new ATOM 0 HG22 ILE A 13 1.404 -6.696 4.843 1.00 0.00 H new ATOM 0 HG23 ILE A 13 1.146 -8.264 4.040 1.00 0.00 H new ATOM 0 HD11 ILE A 13 3.272 -11.297 3.943 1.00 0.00 H new ATOM 0 HD12 ILE A 13 1.825 -10.280 4.139 1.00 0.00 H new ATOM 0 HD13 ILE A 13 2.916 -10.018 2.758 1.00 0.00 H new ATOM 170 N THR A 14 3.284 -8.391 1.074 1.00 0.00 N ATOM 171 CA THR A 14 2.588 -8.806 -0.132 1.00 0.00 C ATOM 172 C THR A 14 2.742 -10.315 -0.356 1.00 0.00 C ATOM 173 O THR A 14 3.112 -11.049 0.566 1.00 0.00 O ATOM 174 CB THR A 14 3.126 -8.028 -1.351 1.00 0.00 C ATOM 175 OG1 THR A 14 3.755 -6.818 -0.909 1.00 0.00 O ATOM 176 CG2 THR A 14 2.001 -7.675 -2.315 1.00 0.00 C ATOM 0 H THR A 14 4.258 -8.689 1.122 1.00 0.00 H new ATOM 0 HA THR A 14 1.528 -8.584 -0.011 1.00 0.00 H new ATOM 0 HB THR A 14 3.846 -8.663 -1.868 1.00 0.00 H new ATOM 0 HG1 THR A 14 4.098 -6.326 -1.684 1.00 0.00 H new ATOM 0 HG21 THR A 14 2.408 -7.127 -3.165 1.00 0.00 H new ATOM 0 HG22 THR A 14 1.524 -8.589 -2.668 1.00 0.00 H new ATOM 0 HG23 THR A 14 1.264 -7.055 -1.803 1.00 0.00 H new ATOM 184 N ASP A 15 2.484 -10.768 -1.579 1.00 0.00 N ATOM 185 CA ASP A 15 2.421 -12.197 -1.889 1.00 0.00 C ATOM 186 C ASP A 15 3.750 -12.901 -1.635 1.00 0.00 C ATOM 187 O ASP A 15 3.781 -13.968 -1.018 1.00 0.00 O ATOM 188 CB ASP A 15 1.995 -12.399 -3.347 1.00 0.00 C ATOM 189 CG ASP A 15 1.917 -13.863 -3.746 1.00 0.00 C ATOM 190 OD1 ASP A 15 0.842 -14.473 -3.588 1.00 0.00 O ATOM 191 OD2 ASP A 15 2.925 -14.411 -4.242 1.00 0.00 O ATOM 0 H ASP A 15 2.313 -10.161 -2.381 1.00 0.00 H new ATOM 0 HA ASP A 15 1.682 -12.642 -1.223 1.00 0.00 H new ATOM 0 HB2 ASP A 15 1.022 -11.933 -3.503 1.00 0.00 H new ATOM 0 HB3 ASP A 15 2.702 -11.887 -4.000 1.00 0.00 H new ATOM 196 N ASP A 16 4.846 -12.303 -2.090 1.00 0.00 N ATOM 197 CA ASP A 16 6.155 -12.946 -1.981 1.00 0.00 C ATOM 198 C ASP A 16 6.835 -12.635 -0.653 1.00 0.00 C ATOM 199 O ASP A 16 7.933 -13.123 -0.382 1.00 0.00 O ATOM 200 CB ASP A 16 7.075 -12.549 -3.143 1.00 0.00 C ATOM 201 CG ASP A 16 7.490 -11.088 -3.128 1.00 0.00 C ATOM 202 OD1 ASP A 16 8.494 -10.753 -2.466 1.00 0.00 O ATOM 203 OD2 ASP A 16 6.828 -10.276 -3.813 1.00 0.00 O ATOM 0 H ASP A 16 4.857 -11.384 -2.533 1.00 0.00 H new ATOM 0 HA ASP A 16 5.976 -14.020 -2.028 1.00 0.00 H new ATOM 0 HB2 ASP A 16 7.970 -13.171 -3.114 1.00 0.00 H new ATOM 0 HB3 ASP A 16 6.568 -12.763 -4.084 1.00 0.00 H new ATOM 208 N GLY A 17 6.184 -11.841 0.186 1.00 0.00 N ATOM 209 CA GLY A 17 6.750 -11.534 1.484 1.00 0.00 C ATOM 210 C GLY A 17 6.607 -10.075 1.851 1.00 0.00 C ATOM 211 O GLY A 17 5.832 -9.347 1.234 1.00 0.00 O ATOM 0 H GLY A 17 5.281 -11.407 -0.007 1.00 0.00 H new ATOM 0 HA2 GLY A 17 6.261 -12.145 2.243 1.00 0.00 H new ATOM 0 HA3 GLY A 17 7.806 -11.804 1.489 1.00 0.00 H new ATOM 215 N LYS A 18 7.356 -9.647 2.853 1.00 0.00 N ATOM 216 CA LYS A 18 7.273 -8.281 3.337 1.00 0.00 C ATOM 217 C LYS A 18 8.299 -7.406 2.624 1.00 0.00 C ATOM 218 O LYS A 18 9.506 -7.617 2.744 1.00 0.00 O ATOM 219 CB LYS A 18 7.484 -8.253 4.852 1.00 0.00 C ATOM 220 CG LYS A 18 7.108 -6.933 5.499 1.00 0.00 C ATOM 221 CD LYS A 18 7.169 -7.019 7.017 1.00 0.00 C ATOM 222 CE LYS A 18 8.578 -7.308 7.509 1.00 0.00 C ATOM 223 NZ LYS A 18 8.640 -7.374 8.994 1.00 0.00 N ATOM 0 H LYS A 18 8.031 -10.229 3.349 1.00 0.00 H new ATOM 0 HA LYS A 18 6.282 -7.882 3.121 1.00 0.00 H new ATOM 0 HB2 LYS A 18 6.895 -9.050 5.306 1.00 0.00 H new ATOM 0 HB3 LYS A 18 8.531 -8.467 5.068 1.00 0.00 H new ATOM 0 HG2 LYS A 18 7.782 -6.151 5.150 1.00 0.00 H new ATOM 0 HG3 LYS A 18 6.102 -6.648 5.190 1.00 0.00 H new ATOM 0 HD2 LYS A 18 6.818 -6.082 7.449 1.00 0.00 H new ATOM 0 HD3 LYS A 18 6.495 -7.802 7.364 1.00 0.00 H new ATOM 0 HE2 LYS A 18 8.924 -8.252 7.088 1.00 0.00 H new ATOM 0 HE3 LYS A 18 9.255 -6.532 7.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 9.616 -7.573 9.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 8.334 -6.465 9.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 8.013 -8.131 9.334 1.00 0.00 H new ATOM 237 N LYS A 19 7.807 -6.427 1.883 1.00 0.00 N ATOM 238 CA LYS A 19 8.647 -5.606 1.026 1.00 0.00 C ATOM 239 C LYS A 19 8.658 -4.152 1.500 1.00 0.00 C ATOM 240 O LYS A 19 7.632 -3.475 1.465 1.00 0.00 O ATOM 241 CB LYS A 19 8.116 -5.677 -0.408 1.00 0.00 C ATOM 242 CG LYS A 19 9.124 -5.277 -1.469 1.00 0.00 C ATOM 243 CD LYS A 19 10.201 -6.334 -1.624 1.00 0.00 C ATOM 244 CE LYS A 19 11.080 -6.056 -2.829 1.00 0.00 C ATOM 245 NZ LYS A 19 12.077 -7.136 -3.045 1.00 0.00 N ATOM 0 H LYS A 19 6.818 -6.179 1.858 1.00 0.00 H new ATOM 0 HA LYS A 19 9.668 -5.984 1.068 1.00 0.00 H new ATOM 0 HB2 LYS A 19 7.780 -6.694 -0.608 1.00 0.00 H new ATOM 0 HB3 LYS A 19 7.242 -5.030 -0.492 1.00 0.00 H new ATOM 0 HG2 LYS A 19 8.615 -5.129 -2.422 1.00 0.00 H new ATOM 0 HG3 LYS A 19 9.581 -4.324 -1.201 1.00 0.00 H new ATOM 0 HD2 LYS A 19 10.815 -6.365 -0.724 1.00 0.00 H new ATOM 0 HD3 LYS A 19 9.738 -7.315 -1.728 1.00 0.00 H new ATOM 0 HE2 LYS A 19 10.457 -5.953 -3.718 1.00 0.00 H new ATOM 0 HE3 LYS A 19 11.597 -5.106 -2.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 12.659 -6.910 -3.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 12.688 -7.217 -2.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 11.583 -8.038 -3.202 1.00 0.00 H new ATOM 259 N ILE A 20 9.803 -3.678 1.970 1.00 0.00 N ATOM 260 CA ILE A 20 9.941 -2.275 2.325 1.00 0.00 C ATOM 261 C ILE A 20 10.282 -1.452 1.072 1.00 0.00 C ATOM 262 O ILE A 20 11.275 -1.703 0.381 1.00 0.00 O ATOM 263 CB ILE A 20 10.985 -2.077 3.473 1.00 0.00 C ATOM 264 CG1 ILE A 20 10.815 -0.710 4.165 1.00 0.00 C ATOM 265 CG2 ILE A 20 12.420 -2.248 2.983 1.00 0.00 C ATOM 266 CD1 ILE A 20 11.278 0.484 3.352 1.00 0.00 C ATOM 0 H ILE A 20 10.642 -4.239 2.113 1.00 0.00 H new ATOM 0 HA ILE A 20 8.990 -1.912 2.715 1.00 0.00 H new ATOM 0 HB ILE A 20 10.788 -2.860 4.205 1.00 0.00 H new ATOM 0 HG12 ILE A 20 9.762 -0.574 4.414 1.00 0.00 H new ATOM 0 HG13 ILE A 20 11.366 -0.725 5.106 1.00 0.00 H new ATOM 0 HG21 ILE A 20 13.109 -2.101 3.815 1.00 0.00 H new ATOM 0 HG22 ILE A 20 12.549 -3.252 2.578 1.00 0.00 H new ATOM 0 HG23 ILE A 20 12.629 -1.513 2.205 1.00 0.00 H new ATOM 0 HD11 ILE A 20 11.117 1.398 3.924 1.00 0.00 H new ATOM 0 HD12 ILE A 20 12.339 0.380 3.125 1.00 0.00 H new ATOM 0 HD13 ILE A 20 10.711 0.533 2.422 1.00 0.00 H new ATOM 278 N LEU A 21 9.417 -0.496 0.764 1.00 0.00 N ATOM 279 CA LEU A 21 9.577 0.348 -0.411 1.00 0.00 C ATOM 280 C LEU A 21 9.787 1.797 0.006 1.00 0.00 C ATOM 281 O LEU A 21 9.107 2.297 0.902 1.00 0.00 O ATOM 282 CB LEU A 21 8.347 0.248 -1.319 1.00 0.00 C ATOM 283 CG LEU A 21 8.059 -1.141 -1.893 1.00 0.00 C ATOM 284 CD1 LEU A 21 6.776 -1.117 -2.709 1.00 0.00 C ATOM 285 CD2 LEU A 21 9.220 -1.621 -2.749 1.00 0.00 C ATOM 0 H LEU A 21 8.588 -0.284 1.319 1.00 0.00 H new ATOM 0 HA LEU A 21 10.451 0.002 -0.962 1.00 0.00 H new ATOM 0 HB2 LEU A 21 7.474 0.576 -0.755 1.00 0.00 H new ATOM 0 HB3 LEU A 21 8.472 0.945 -2.148 1.00 0.00 H new ATOM 0 HG LEU A 21 7.935 -1.837 -1.063 1.00 0.00 H new ATOM 0 HD11 LEU A 21 6.582 -2.111 -3.112 1.00 0.00 H new ATOM 0 HD12 LEU A 21 5.945 -0.816 -2.071 1.00 0.00 H new ATOM 0 HD13 LEU A 21 6.880 -0.407 -3.529 1.00 0.00 H new ATOM 0 HD21 LEU A 21 8.994 -2.610 -3.147 1.00 0.00 H new ATOM 0 HD22 LEU A 21 9.376 -0.925 -3.573 1.00 0.00 H new ATOM 0 HD23 LEU A 21 10.123 -1.672 -2.141 1.00 0.00 H new ATOM 297 N GLU A 22 10.731 2.462 -0.641 1.00 0.00 N ATOM 298 CA GLU A 22 11.025 3.856 -0.341 1.00 0.00 C ATOM 299 C GLU A 22 10.656 4.733 -1.530 1.00 0.00 C ATOM 300 O GLU A 22 10.883 4.356 -2.680 1.00 0.00 O ATOM 301 CB GLU A 22 12.509 4.021 0.001 1.00 0.00 C ATOM 302 CG GLU A 22 12.867 5.385 0.569 1.00 0.00 C ATOM 303 CD GLU A 22 14.343 5.513 0.879 1.00 0.00 C ATOM 304 OE1 GLU A 22 14.878 4.648 1.608 1.00 0.00 O ATOM 305 OE2 GLU A 22 14.982 6.464 0.379 1.00 0.00 O ATOM 0 H GLU A 22 11.308 2.059 -1.379 1.00 0.00 H new ATOM 0 HA GLU A 22 10.433 4.165 0.521 1.00 0.00 H new ATOM 0 HB2 GLU A 22 12.792 3.254 0.721 1.00 0.00 H new ATOM 0 HB3 GLU A 22 13.100 3.847 -0.899 1.00 0.00 H new ATOM 0 HG2 GLU A 22 12.580 6.159 -0.143 1.00 0.00 H new ATOM 0 HG3 GLU A 22 12.291 5.559 1.478 1.00 0.00 H new ATOM 312 N SER A 23 10.078 5.887 -1.251 1.00 0.00 N ATOM 313 CA SER A 23 9.706 6.825 -2.293 1.00 0.00 C ATOM 314 C SER A 23 10.171 8.226 -1.912 1.00 0.00 C ATOM 315 O SER A 23 9.963 8.674 -0.784 1.00 0.00 O ATOM 316 CB SER A 23 8.190 6.806 -2.522 1.00 0.00 C ATOM 317 OG SER A 23 7.846 7.484 -3.721 1.00 0.00 O ATOM 0 H SER A 23 9.855 6.198 -0.305 1.00 0.00 H new ATOM 0 HA SER A 23 10.191 6.530 -3.223 1.00 0.00 H new ATOM 0 HB2 SER A 23 7.839 5.775 -2.570 1.00 0.00 H new ATOM 0 HB3 SER A 23 7.686 7.275 -1.677 1.00 0.00 H new ATOM 0 HG SER A 23 6.874 7.456 -3.845 1.00 0.00 H new ATOM 323 N GLY A 24 10.802 8.912 -2.858 1.00 0.00 N ATOM 324 CA GLY A 24 11.377 10.217 -2.583 1.00 0.00 C ATOM 325 C GLY A 24 10.339 11.280 -2.274 1.00 0.00 C ATOM 326 O GLY A 24 10.673 12.348 -1.759 1.00 0.00 O ATOM 0 H GLY A 24 10.926 8.586 -3.816 1.00 0.00 H new ATOM 0 HA2 GLY A 24 12.063 10.133 -1.740 1.00 0.00 H new ATOM 0 HA3 GLY A 24 11.967 10.535 -3.443 1.00 0.00 H new ATOM 330 N ALA A 25 9.086 11.000 -2.585 1.00 0.00 N ATOM 331 CA ALA A 25 8.015 11.956 -2.361 1.00 0.00 C ATOM 332 C ALA A 25 6.820 11.284 -1.706 1.00 0.00 C ATOM 333 O ALA A 25 6.514 10.130 -2.010 1.00 0.00 O ATOM 334 CB ALA A 25 7.602 12.603 -3.675 1.00 0.00 C ATOM 0 H ALA A 25 8.784 10.116 -2.995 1.00 0.00 H new ATOM 0 HA ALA A 25 8.383 12.730 -1.688 1.00 0.00 H new ATOM 0 HB1 ALA A 25 6.799 13.317 -3.492 1.00 0.00 H new ATOM 0 HB2 ALA A 25 8.457 13.121 -4.110 1.00 0.00 H new ATOM 0 HB3 ALA A 25 7.254 11.835 -4.365 1.00 0.00 H new ATOM 340 N PRO A 26 6.146 11.990 -0.779 1.00 0.00 N ATOM 341 CA PRO A 26 4.900 11.508 -0.175 1.00 0.00 C ATOM 342 C PRO A 26 3.876 11.162 -1.248 1.00 0.00 C ATOM 343 O PRO A 26 3.667 11.929 -2.190 1.00 0.00 O ATOM 344 CB PRO A 26 4.430 12.697 0.670 1.00 0.00 C ATOM 345 CG PRO A 26 5.673 13.460 0.970 1.00 0.00 C ATOM 346 CD PRO A 26 6.548 13.305 -0.241 1.00 0.00 C ATOM 0 HA PRO A 26 5.034 10.599 0.411 1.00 0.00 H new ATOM 0 HB2 PRO A 26 3.710 13.309 0.127 1.00 0.00 H new ATOM 0 HB3 PRO A 26 3.939 12.364 1.584 1.00 0.00 H new ATOM 0 HG2 PRO A 26 5.451 14.510 1.161 1.00 0.00 H new ATOM 0 HG3 PRO A 26 6.166 13.071 1.861 1.00 0.00 H new ATOM 0 HD2 PRO A 26 6.382 14.104 -0.963 1.00 0.00 H new ATOM 0 HD3 PRO A 26 7.606 13.327 0.021 1.00 0.00 H new ATOM 354 N ARG A 27 3.236 10.013 -1.112 1.00 0.00 N ATOM 355 CA ARG A 27 2.440 9.476 -2.200 1.00 0.00 C ATOM 356 C ARG A 27 1.068 9.020 -1.716 1.00 0.00 C ATOM 357 O ARG A 27 0.882 8.719 -0.536 1.00 0.00 O ATOM 358 CB ARG A 27 3.185 8.297 -2.828 1.00 0.00 C ATOM 359 CG ARG A 27 3.172 8.295 -4.343 1.00 0.00 C ATOM 360 CD ARG A 27 3.923 9.489 -4.911 1.00 0.00 C ATOM 361 NE ARG A 27 3.925 9.484 -6.374 1.00 0.00 N ATOM 362 CZ ARG A 27 5.033 9.476 -7.118 1.00 0.00 C ATOM 363 NH1 ARG A 27 6.229 9.469 -6.538 1.00 0.00 N ATOM 364 NH2 ARG A 27 4.943 9.468 -8.443 1.00 0.00 N ATOM 0 H ARG A 27 3.252 9.440 -0.268 1.00 0.00 H new ATOM 0 HA ARG A 27 2.287 10.263 -2.938 1.00 0.00 H new ATOM 0 HB2 ARG A 27 4.219 8.309 -2.484 1.00 0.00 H new ATOM 0 HB3 ARG A 27 2.741 7.368 -2.470 1.00 0.00 H new ATOM 0 HG2 ARG A 27 3.623 7.373 -4.710 1.00 0.00 H new ATOM 0 HG3 ARG A 27 2.142 8.310 -4.699 1.00 0.00 H new ATOM 0 HD2 ARG A 27 3.466 10.411 -4.551 1.00 0.00 H new ATOM 0 HD3 ARG A 27 4.950 9.479 -4.546 1.00 0.00 H new ATOM 0 HE ARG A 27 3.025 9.487 -6.854 1.00 0.00 H new ATOM 0 HH11 ARG A 27 6.302 9.470 -5.521 1.00 0.00 H new ATOM 0 HH12 ARG A 27 7.073 9.463 -7.110 1.00 0.00 H new ATOM 0 HH21 ARG A 27 4.027 9.468 -8.892 1.00 0.00 H new ATOM 0 HH22 ARG A 27 5.790 9.462 -9.012 1.00 0.00 H new ATOM 378 N ARG A 28 0.115 8.981 -2.637 1.00 0.00 N ATOM 379 CA ARG A 28 -1.211 8.452 -2.363 1.00 0.00 C ATOM 380 C ARG A 28 -1.217 6.973 -2.741 1.00 0.00 C ATOM 381 O ARG A 28 -0.374 6.539 -3.528 1.00 0.00 O ATOM 382 CB ARG A 28 -2.243 9.212 -3.203 1.00 0.00 C ATOM 383 CG ARG A 28 -3.653 9.239 -2.631 1.00 0.00 C ATOM 384 CD ARG A 28 -4.648 9.686 -3.692 1.00 0.00 C ATOM 385 NE ARG A 28 -5.842 10.321 -3.137 1.00 0.00 N ATOM 386 CZ ARG A 28 -6.004 11.643 -3.030 1.00 0.00 C ATOM 387 NH1 ARG A 28 -5.034 12.470 -3.404 1.00 0.00 N ATOM 388 NH2 ARG A 28 -7.150 12.128 -2.572 1.00 0.00 N ATOM 0 H ARG A 28 0.240 9.315 -3.593 1.00 0.00 H new ATOM 0 HA ARG A 28 -1.462 8.569 -1.309 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -1.900 10.239 -3.329 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -2.280 8.764 -4.196 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -3.923 8.248 -2.265 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -3.693 9.916 -1.778 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -4.156 10.384 -4.370 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -4.947 8.822 -4.286 1.00 0.00 H new ATOM 0 HE ARG A 28 -6.598 9.718 -2.812 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -4.160 12.097 -3.775 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -5.163 13.478 -3.320 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -7.902 11.493 -2.304 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -7.280 13.136 -2.488 1.00 0.00 H new ATOM 402 N ILE A 29 -2.145 6.200 -2.192 1.00 0.00 N ATOM 403 CA ILE A 29 -2.271 4.794 -2.567 1.00 0.00 C ATOM 404 C ILE A 29 -2.561 4.681 -4.062 1.00 0.00 C ATOM 405 O ILE A 29 -2.045 3.797 -4.745 1.00 0.00 O ATOM 406 CB ILE A 29 -3.391 4.080 -1.767 1.00 0.00 C ATOM 407 CG1 ILE A 29 -3.064 4.064 -0.269 1.00 0.00 C ATOM 408 CG2 ILE A 29 -3.601 2.659 -2.277 1.00 0.00 C ATOM 409 CD1 ILE A 29 -1.825 3.268 0.084 1.00 0.00 C ATOM 0 H ILE A 29 -2.816 6.517 -1.492 1.00 0.00 H new ATOM 0 HA ILE A 29 -1.326 4.304 -2.331 1.00 0.00 H new ATOM 0 HB ILE A 29 -4.315 4.639 -1.913 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -2.934 5.090 0.075 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -3.915 3.652 0.273 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -4.391 2.179 -1.700 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -3.886 2.688 -3.329 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -2.676 2.093 -2.167 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -1.663 3.306 1.161 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -1.958 2.232 -0.226 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -0.962 3.693 -0.428 1.00 0.00 H new ATOM 421 N LYS A 30 -3.354 5.620 -4.564 1.00 0.00 N ATOM 422 CA LYS A 30 -3.782 5.624 -5.959 1.00 0.00 C ATOM 423 C LYS A 30 -2.611 5.880 -6.911 1.00 0.00 C ATOM 424 O LYS A 30 -2.694 5.567 -8.100 1.00 0.00 O ATOM 425 CB LYS A 30 -4.875 6.674 -6.154 1.00 0.00 C ATOM 426 CG LYS A 30 -5.735 6.447 -7.383 1.00 0.00 C ATOM 427 CD LYS A 30 -7.070 7.149 -7.237 1.00 0.00 C ATOM 428 CE LYS A 30 -8.080 6.645 -8.249 1.00 0.00 C ATOM 429 NZ LYS A 30 -9.445 6.614 -7.667 1.00 0.00 N ATOM 0 H LYS A 30 -3.719 6.400 -4.017 1.00 0.00 H new ATOM 0 HA LYS A 30 -4.179 4.638 -6.198 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -5.515 6.685 -5.272 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -4.411 7.658 -6.224 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -5.218 6.817 -8.268 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -5.894 5.379 -7.530 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -7.455 6.993 -6.229 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -6.933 8.223 -7.363 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -8.070 7.288 -9.129 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -7.800 5.646 -8.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -10.097 6.156 -8.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -9.430 6.078 -6.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -9.766 7.586 -7.482 1.00 0.00 H new ATOM 443 N ASP A 31 -1.525 6.447 -6.396 1.00 0.00 N ATOM 444 CA ASP A 31 -0.306 6.610 -7.186 1.00 0.00 C ATOM 445 C ASP A 31 0.274 5.249 -7.521 1.00 0.00 C ATOM 446 O ASP A 31 0.371 4.867 -8.687 1.00 0.00 O ATOM 447 CB ASP A 31 0.750 7.416 -6.430 1.00 0.00 C ATOM 448 CG ASP A 31 0.532 8.912 -6.490 1.00 0.00 C ATOM 449 OD1 ASP A 31 -0.154 9.453 -5.600 1.00 0.00 O ATOM 450 OD2 ASP A 31 1.087 9.557 -7.407 1.00 0.00 O ATOM 0 H ASP A 31 -1.462 6.800 -5.441 1.00 0.00 H new ATOM 0 HA ASP A 31 -0.573 7.148 -8.096 1.00 0.00 H new ATOM 0 HB2 ASP A 31 0.757 7.100 -5.387 1.00 0.00 H new ATOM 0 HB3 ASP A 31 1.733 7.184 -6.840 1.00 0.00 H new ATOM 455 N VAL A 32 0.637 4.520 -6.473 1.00 0.00 N ATOM 456 CA VAL A 32 1.207 3.186 -6.610 1.00 0.00 C ATOM 457 C VAL A 32 0.228 2.263 -7.325 1.00 0.00 C ATOM 458 O VAL A 32 0.606 1.497 -8.212 1.00 0.00 O ATOM 459 CB VAL A 32 1.556 2.600 -5.221 1.00 0.00 C ATOM 460 CG1 VAL A 32 2.184 1.220 -5.344 1.00 0.00 C ATOM 461 CG2 VAL A 32 2.480 3.544 -4.466 1.00 0.00 C ATOM 0 H VAL A 32 0.545 4.836 -5.507 1.00 0.00 H new ATOM 0 HA VAL A 32 2.120 3.264 -7.200 1.00 0.00 H new ATOM 0 HB VAL A 32 0.629 2.493 -4.658 1.00 0.00 H new ATOM 0 HG11 VAL A 32 2.417 0.837 -4.351 1.00 0.00 H new ATOM 0 HG12 VAL A 32 1.485 0.545 -5.839 1.00 0.00 H new ATOM 0 HG13 VAL A 32 3.100 1.288 -5.931 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.717 3.119 -3.491 1.00 0.00 H new ATOM 0 HG22 VAL A 32 3.400 3.684 -5.034 1.00 0.00 H new ATOM 0 HG23 VAL A 32 1.986 4.506 -4.332 1.00 0.00 H new ATOM 471 N LEU A 33 -1.038 2.376 -6.950 1.00 0.00 N ATOM 472 CA LEU A 33 -2.094 1.546 -7.509 1.00 0.00 C ATOM 473 C LEU A 33 -2.262 1.817 -9.005 1.00 0.00 C ATOM 474 O LEU A 33 -2.307 0.889 -9.814 1.00 0.00 O ATOM 475 CB LEU A 33 -3.403 1.846 -6.759 1.00 0.00 C ATOM 476 CG LEU A 33 -4.468 0.747 -6.777 1.00 0.00 C ATOM 477 CD1 LEU A 33 -5.095 0.599 -8.157 1.00 0.00 C ATOM 478 CD2 LEU A 33 -3.864 -0.569 -6.312 1.00 0.00 C ATOM 0 H LEU A 33 -1.361 3.045 -6.251 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.832 0.495 -7.391 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.158 2.067 -5.720 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.839 2.751 -7.183 1.00 0.00 H new ATOM 0 HG LEU A 33 -5.264 1.033 -6.089 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.847 -0.190 -8.132 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.565 1.539 -8.446 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -4.323 0.342 -8.882 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.628 -1.346 -6.328 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -3.048 -0.850 -6.977 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.483 -0.456 -5.297 1.00 0.00 H new ATOM 490 N GLY A 34 -2.325 3.095 -9.363 1.00 0.00 N ATOM 491 CA GLY A 34 -2.599 3.479 -10.734 1.00 0.00 C ATOM 492 C GLY A 34 -1.451 3.199 -11.684 1.00 0.00 C ATOM 493 O GLY A 34 -1.653 2.623 -12.755 1.00 0.00 O ATOM 0 H GLY A 34 -2.190 3.877 -8.722 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -3.485 2.947 -11.081 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -2.834 4.543 -10.765 1.00 0.00 H new ATOM 497 N GLU A 35 -0.243 3.590 -11.287 1.00 0.00 N ATOM 498 CA GLU A 35 0.920 3.506 -12.170 1.00 0.00 C ATOM 499 C GLU A 35 1.399 2.069 -12.358 1.00 0.00 C ATOM 500 O GLU A 35 1.829 1.688 -13.449 1.00 0.00 O ATOM 501 CB GLU A 35 2.062 4.372 -11.634 1.00 0.00 C ATOM 502 CG GLU A 35 1.717 5.851 -11.560 1.00 0.00 C ATOM 503 CD GLU A 35 1.242 6.405 -12.888 1.00 0.00 C ATOM 504 OE1 GLU A 35 2.079 6.597 -13.793 1.00 0.00 O ATOM 505 OE2 GLU A 35 0.028 6.657 -13.033 1.00 0.00 O ATOM 0 H GLU A 35 -0.043 3.968 -10.361 1.00 0.00 H new ATOM 0 HA GLU A 35 0.609 3.880 -13.146 1.00 0.00 H new ATOM 0 HB2 GLU A 35 2.338 4.021 -10.640 1.00 0.00 H new ATOM 0 HB3 GLU A 35 2.936 4.242 -12.272 1.00 0.00 H new ATOM 0 HG2 GLU A 35 0.942 6.002 -10.809 1.00 0.00 H new ATOM 0 HG3 GLU A 35 2.593 6.409 -11.230 1.00 0.00 H new ATOM 512 N LEU A 36 1.331 1.272 -11.300 1.00 0.00 N ATOM 513 CA LEU A 36 1.783 -0.113 -11.373 1.00 0.00 C ATOM 514 C LEU A 36 0.664 -1.028 -11.845 1.00 0.00 C ATOM 515 O LEU A 36 0.910 -2.175 -12.224 1.00 0.00 O ATOM 516 CB LEU A 36 2.313 -0.580 -10.015 1.00 0.00 C ATOM 517 CG LEU A 36 3.549 0.169 -9.509 1.00 0.00 C ATOM 518 CD1 LEU A 36 4.019 -0.413 -8.185 1.00 0.00 C ATOM 519 CD2 LEU A 36 4.669 0.115 -10.539 1.00 0.00 C ATOM 0 H LEU A 36 0.971 1.556 -10.389 1.00 0.00 H new ATOM 0 HA LEU A 36 2.594 -0.162 -12.100 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.517 -0.478 -9.277 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.552 -1.641 -10.081 1.00 0.00 H new ATOM 0 HG LEU A 36 3.276 1.213 -9.352 1.00 0.00 H new ATOM 0 HD11 LEU A 36 4.898 0.131 -7.840 1.00 0.00 H new ATOM 0 HD12 LEU A 36 3.223 -0.323 -7.445 1.00 0.00 H new ATOM 0 HD13 LEU A 36 4.273 -1.464 -8.319 1.00 0.00 H new ATOM 0 HD21 LEU A 36 5.538 0.653 -10.160 1.00 0.00 H new ATOM 0 HD22 LEU A 36 4.939 -0.924 -10.728 1.00 0.00 H new ATOM 0 HD23 LEU A 36 4.332 0.577 -11.467 1.00 0.00 H new ATOM 531 N GLU A 37 -0.558 -0.501 -11.831 1.00 0.00 N ATOM 532 CA GLU A 37 -1.745 -1.241 -12.250 1.00 0.00 C ATOM 533 C GLU A 37 -1.921 -2.497 -11.403 1.00 0.00 C ATOM 534 O GLU A 37 -1.585 -3.607 -11.821 1.00 0.00 O ATOM 535 CB GLU A 37 -1.677 -1.600 -13.736 1.00 0.00 C ATOM 536 CG GLU A 37 -2.971 -2.183 -14.277 1.00 0.00 C ATOM 537 CD GLU A 37 -2.832 -2.672 -15.699 1.00 0.00 C ATOM 538 OE1 GLU A 37 -2.983 -1.853 -16.632 1.00 0.00 O ATOM 539 OE2 GLU A 37 -2.568 -3.878 -15.891 1.00 0.00 O ATOM 0 H GLU A 37 -0.753 0.453 -11.528 1.00 0.00 H new ATOM 0 HA GLU A 37 -2.612 -0.597 -12.100 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -1.424 -0.706 -14.307 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -0.871 -2.317 -13.892 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -3.288 -3.009 -13.641 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -3.754 -1.427 -14.231 1.00 0.00 H new ATOM 546 N ILE A 38 -2.422 -2.304 -10.198 1.00 0.00 N ATOM 547 CA ILE A 38 -2.641 -3.398 -9.269 1.00 0.00 C ATOM 548 C ILE A 38 -4.125 -3.492 -8.934 1.00 0.00 C ATOM 549 O ILE A 38 -4.764 -2.475 -8.679 1.00 0.00 O ATOM 550 CB ILE A 38 -1.824 -3.195 -7.970 1.00 0.00 C ATOM 551 CG1 ILE A 38 -0.340 -3.015 -8.301 1.00 0.00 C ATOM 552 CG2 ILE A 38 -2.014 -4.370 -7.017 1.00 0.00 C ATOM 553 CD1 ILE A 38 0.516 -2.673 -7.099 1.00 0.00 C ATOM 0 H ILE A 38 -2.688 -1.388 -9.836 1.00 0.00 H new ATOM 0 HA ILE A 38 -2.309 -4.323 -9.740 1.00 0.00 H new ATOM 0 HB ILE A 38 -2.188 -2.294 -7.476 1.00 0.00 H new ATOM 0 HG12 ILE A 38 0.036 -3.932 -8.754 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -0.236 -2.226 -9.046 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -1.430 -4.203 -6.112 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -3.069 -4.460 -6.756 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -1.680 -5.288 -7.500 1.00 0.00 H new ATOM 0 HD11 ILE A 38 1.554 -2.561 -7.412 1.00 0.00 H new ATOM 0 HD12 ILE A 38 0.167 -1.739 -6.658 1.00 0.00 H new ATOM 0 HD13 ILE A 38 0.443 -3.472 -6.361 1.00 0.00 H new ATOM 565 N PRO A 39 -4.705 -4.700 -8.971 1.00 0.00 N ATOM 566 CA PRO A 39 -6.118 -4.908 -8.636 1.00 0.00 C ATOM 567 C PRO A 39 -6.432 -4.546 -7.184 1.00 0.00 C ATOM 568 O PRO A 39 -6.168 -5.317 -6.263 1.00 0.00 O ATOM 569 CB PRO A 39 -6.333 -6.406 -8.881 1.00 0.00 C ATOM 570 CG PRO A 39 -5.198 -6.824 -9.753 1.00 0.00 C ATOM 571 CD PRO A 39 -4.044 -5.955 -9.358 1.00 0.00 C ATOM 0 HA PRO A 39 -6.773 -4.273 -9.232 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -6.336 -6.962 -7.944 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -7.292 -6.593 -9.365 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -4.962 -7.878 -9.610 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -5.445 -6.693 -10.807 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -3.476 -6.385 -8.533 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -3.346 -5.808 -10.182 1.00 0.00 H new ATOM 579 N ILE A 40 -6.998 -3.363 -6.992 1.00 0.00 N ATOM 580 CA ILE A 40 -7.312 -2.859 -5.659 1.00 0.00 C ATOM 581 C ILE A 40 -8.676 -3.367 -5.202 1.00 0.00 C ATOM 582 O ILE A 40 -8.940 -3.504 -4.011 1.00 0.00 O ATOM 583 CB ILE A 40 -7.297 -1.306 -5.645 1.00 0.00 C ATOM 584 CG1 ILE A 40 -7.563 -0.755 -4.239 1.00 0.00 C ATOM 585 CG2 ILE A 40 -8.311 -0.739 -6.635 1.00 0.00 C ATOM 586 CD1 ILE A 40 -6.465 -1.060 -3.242 1.00 0.00 C ATOM 0 H ILE A 40 -7.252 -2.728 -7.749 1.00 0.00 H new ATOM 0 HA ILE A 40 -6.550 -3.225 -4.971 1.00 0.00 H new ATOM 0 HB ILE A 40 -6.300 -0.989 -5.950 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -7.693 0.325 -4.302 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -8.501 -1.168 -3.869 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -8.279 0.350 -6.605 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -8.068 -1.081 -7.641 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -9.311 -1.081 -6.367 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -6.727 -0.637 -2.272 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -6.348 -2.140 -3.148 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -5.528 -0.623 -3.587 1.00 0.00 H new ATOM 598 N GLU A 41 -9.520 -3.683 -6.170 1.00 0.00 N ATOM 599 CA GLU A 41 -10.904 -4.040 -5.898 1.00 0.00 C ATOM 600 C GLU A 41 -11.030 -5.459 -5.342 1.00 0.00 C ATOM 601 O GLU A 41 -12.027 -5.792 -4.704 1.00 0.00 O ATOM 602 CB GLU A 41 -11.717 -3.913 -7.189 1.00 0.00 C ATOM 603 CG GLU A 41 -13.223 -3.999 -6.993 1.00 0.00 C ATOM 604 CD GLU A 41 -13.778 -2.847 -6.189 1.00 0.00 C ATOM 605 OE1 GLU A 41 -13.537 -1.682 -6.566 1.00 0.00 O ATOM 606 OE2 GLU A 41 -14.485 -3.102 -5.191 1.00 0.00 O ATOM 0 H GLU A 41 -9.269 -3.700 -7.159 1.00 0.00 H new ATOM 0 HA GLU A 41 -11.288 -3.358 -5.140 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -11.478 -2.961 -7.662 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -11.407 -4.698 -7.878 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -13.710 -4.023 -7.968 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -13.466 -4.936 -6.492 1.00 0.00 H new ATOM 613 N THR A 42 -10.021 -6.292 -5.567 1.00 0.00 N ATOM 614 CA THR A 42 -10.150 -7.708 -5.249 1.00 0.00 C ATOM 615 C THR A 42 -9.307 -8.135 -4.040 1.00 0.00 C ATOM 616 O THR A 42 -9.474 -9.248 -3.539 1.00 0.00 O ATOM 617 CB THR A 42 -9.791 -8.586 -6.468 1.00 0.00 C ATOM 618 OG1 THR A 42 -10.056 -9.968 -6.182 1.00 0.00 O ATOM 619 CG2 THR A 42 -8.330 -8.422 -6.859 1.00 0.00 C ATOM 0 H THR A 42 -9.121 -6.019 -5.961 1.00 0.00 H new ATOM 0 HA THR A 42 -11.197 -7.859 -4.985 1.00 0.00 H new ATOM 0 HB THR A 42 -10.411 -8.259 -7.303 1.00 0.00 H new ATOM 0 HG1 THR A 42 -10.096 -10.099 -5.212 1.00 0.00 H new ATOM 0 HG21 THR A 42 -8.111 -9.053 -7.720 1.00 0.00 H new ATOM 0 HG22 THR A 42 -8.136 -7.380 -7.114 1.00 0.00 H new ATOM 0 HG23 THR A 42 -7.695 -8.715 -6.023 1.00 0.00 H new ATOM 627 N VAL A 43 -8.412 -7.279 -3.562 1.00 0.00 N ATOM 628 CA VAL A 43 -7.578 -7.647 -2.420 1.00 0.00 C ATOM 629 C VAL A 43 -7.752 -6.658 -1.274 1.00 0.00 C ATOM 630 O VAL A 43 -8.185 -5.525 -1.480 1.00 0.00 O ATOM 631 CB VAL A 43 -6.077 -7.763 -2.787 1.00 0.00 C ATOM 632 CG1 VAL A 43 -5.871 -8.790 -3.891 1.00 0.00 C ATOM 633 CG2 VAL A 43 -5.496 -6.421 -3.196 1.00 0.00 C ATOM 0 H VAL A 43 -8.245 -6.345 -3.936 1.00 0.00 H new ATOM 0 HA VAL A 43 -7.917 -8.633 -2.102 1.00 0.00 H new ATOM 0 HB VAL A 43 -5.547 -8.097 -1.895 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -4.810 -8.856 -4.133 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -6.227 -9.763 -3.554 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -6.428 -8.487 -4.778 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -4.442 -6.542 -3.446 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -6.034 -6.041 -4.065 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -5.595 -5.715 -2.371 1.00 0.00 H new ATOM 643 N VAL A 44 -7.418 -7.096 -0.070 1.00 0.00 N ATOM 644 CA VAL A 44 -7.624 -6.284 1.121 1.00 0.00 C ATOM 645 C VAL A 44 -6.364 -5.514 1.481 1.00 0.00 C ATOM 646 O VAL A 44 -5.357 -6.099 1.868 1.00 0.00 O ATOM 647 CB VAL A 44 -8.051 -7.148 2.328 1.00 0.00 C ATOM 648 CG1 VAL A 44 -8.317 -6.279 3.551 1.00 0.00 C ATOM 649 CG2 VAL A 44 -9.277 -7.983 1.985 1.00 0.00 C ATOM 0 H VAL A 44 -7.003 -8.010 0.109 1.00 0.00 H new ATOM 0 HA VAL A 44 -8.424 -5.580 0.890 1.00 0.00 H new ATOM 0 HB VAL A 44 -7.231 -7.826 2.566 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -8.616 -6.910 4.388 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -7.411 -5.733 3.814 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -9.115 -5.571 3.328 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -9.561 -8.584 2.849 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -10.102 -7.324 1.714 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -9.047 -8.640 1.146 1.00 0.00 H new ATOM 659 N VAL A 45 -6.426 -4.201 1.362 1.00 0.00 N ATOM 660 CA VAL A 45 -5.287 -3.359 1.683 1.00 0.00 C ATOM 661 C VAL A 45 -5.482 -2.695 3.040 1.00 0.00 C ATOM 662 O VAL A 45 -6.540 -2.132 3.326 1.00 0.00 O ATOM 663 CB VAL A 45 -5.062 -2.279 0.601 1.00 0.00 C ATOM 664 CG1 VAL A 45 -3.885 -1.383 0.960 1.00 0.00 C ATOM 665 CG2 VAL A 45 -4.844 -2.929 -0.756 1.00 0.00 C ATOM 0 H VAL A 45 -7.252 -3.694 1.046 1.00 0.00 H new ATOM 0 HA VAL A 45 -4.405 -3.998 1.718 1.00 0.00 H new ATOM 0 HB VAL A 45 -5.955 -1.656 0.551 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -3.749 -0.632 0.182 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -4.081 -0.888 1.911 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -2.981 -1.986 1.044 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -4.687 -2.156 -1.509 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -3.968 -3.577 -0.713 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -5.720 -3.521 -1.021 1.00 0.00 H new ATOM 675 N LYS A 46 -4.462 -2.780 3.878 1.00 0.00 N ATOM 676 CA LYS A 46 -4.514 -2.190 5.203 1.00 0.00 C ATOM 677 C LYS A 46 -3.462 -1.105 5.356 1.00 0.00 C ATOM 678 O LYS A 46 -2.278 -1.330 5.111 1.00 0.00 O ATOM 679 CB LYS A 46 -4.293 -3.247 6.279 1.00 0.00 C ATOM 680 CG LYS A 46 -5.402 -4.275 6.388 1.00 0.00 C ATOM 681 CD LYS A 46 -5.014 -5.364 7.368 1.00 0.00 C ATOM 682 CE LYS A 46 -6.104 -6.407 7.540 1.00 0.00 C ATOM 683 NZ LYS A 46 -5.680 -7.466 8.493 1.00 0.00 N ATOM 0 H LYS A 46 -3.585 -3.254 3.662 1.00 0.00 H new ATOM 0 HA LYS A 46 -5.505 -1.752 5.324 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -3.355 -3.763 6.076 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -4.181 -2.749 7.242 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -6.323 -3.793 6.715 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -5.601 -4.711 5.409 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -4.101 -5.850 7.023 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -4.790 -4.915 8.335 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -7.015 -5.930 7.902 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -6.340 -6.854 6.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -6.012 -8.391 8.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -4.642 -7.475 8.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -6.089 -7.274 9.430 1.00 0.00 H new ATOM 697 N LYS A 47 -3.917 0.063 5.761 1.00 0.00 N ATOM 698 CA LYS A 47 -3.043 1.185 6.049 1.00 0.00 C ATOM 699 C LYS A 47 -2.770 1.241 7.546 1.00 0.00 C ATOM 700 O LYS A 47 -3.664 1.579 8.330 1.00 0.00 O ATOM 701 CB LYS A 47 -3.711 2.470 5.557 1.00 0.00 C ATOM 702 CG LYS A 47 -3.067 3.758 6.030 1.00 0.00 C ATOM 703 CD LYS A 47 -3.867 4.952 5.539 1.00 0.00 C ATOM 704 CE LYS A 47 -3.518 6.223 6.291 1.00 0.00 C ATOM 705 NZ LYS A 47 -4.429 7.341 5.927 1.00 0.00 N ATOM 0 H LYS A 47 -4.907 0.263 5.901 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.089 1.070 5.535 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -3.714 2.464 4.467 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -4.752 2.465 5.879 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -3.014 3.769 7.119 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -2.043 3.819 5.660 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -3.682 5.099 4.475 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -4.931 4.746 5.652 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -3.576 6.040 7.364 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -2.488 6.505 6.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -4.348 8.099 6.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -4.167 7.712 4.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -5.409 6.995 5.900 1.00 0.00 H new ATOM 719 N ASN A 48 -1.553 0.849 7.926 1.00 0.00 N ATOM 720 CA ASN A 48 -1.114 0.776 9.328 1.00 0.00 C ATOM 721 C ASN A 48 -1.802 -0.382 10.055 1.00 0.00 C ATOM 722 O ASN A 48 -1.145 -1.236 10.651 1.00 0.00 O ATOM 723 CB ASN A 48 -1.377 2.098 10.055 1.00 0.00 C ATOM 724 CG ASN A 48 -0.679 2.178 11.399 1.00 0.00 C ATOM 725 OD1 ASN A 48 -1.219 1.764 12.425 1.00 0.00 O ATOM 726 ND2 ASN A 48 0.523 2.733 11.403 1.00 0.00 N ATOM 0 H ASN A 48 -0.831 0.568 7.262 1.00 0.00 H new ATOM 0 HA ASN A 48 -0.039 0.593 9.332 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -1.044 2.925 9.428 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -2.450 2.220 10.200 1.00 0.00 H new ATOM 0 HD21 ASN A 48 1.037 2.830 12.279 1.00 0.00 H new ATOM 0 HD22 ASN A 48 0.935 3.063 10.530 1.00 0.00 H new ATOM 733 N GLY A 49 -3.124 -0.405 9.985 1.00 0.00 N ATOM 734 CA GLY A 49 -3.903 -1.464 10.596 1.00 0.00 C ATOM 735 C GLY A 49 -5.388 -1.319 10.309 1.00 0.00 C ATOM 736 O GLY A 49 -6.225 -1.864 11.030 1.00 0.00 O ATOM 0 H GLY A 49 -3.680 0.304 9.507 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -3.555 -2.429 10.227 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -3.740 -1.458 11.674 1.00 0.00 H new ATOM 740 N GLN A 50 -5.714 -0.587 9.247 1.00 0.00 N ATOM 741 CA GLN A 50 -7.101 -0.327 8.877 1.00 0.00 C ATOM 742 C GLN A 50 -7.348 -0.752 7.439 1.00 0.00 C ATOM 743 O GLN A 50 -6.475 -0.585 6.591 1.00 0.00 O ATOM 744 CB GLN A 50 -7.419 1.167 9.010 1.00 0.00 C ATOM 745 CG GLN A 50 -7.354 1.706 10.430 1.00 0.00 C ATOM 746 CD GLN A 50 -8.510 1.239 11.293 1.00 0.00 C ATOM 747 OE1 GLN A 50 -9.034 0.139 11.122 1.00 0.00 O ATOM 748 NE2 GLN A 50 -8.932 2.085 12.214 1.00 0.00 N ATOM 0 H GLN A 50 -5.029 -0.160 8.623 1.00 0.00 H new ATOM 0 HA GLN A 50 -7.743 -0.898 9.547 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -6.721 1.730 8.390 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -8.417 1.349 8.612 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -6.416 1.394 10.889 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -7.347 2.796 10.400 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -8.472 2.988 12.326 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -9.718 1.835 12.814 1.00 0.00 H new ATOM 757 N ILE A 51 -8.529 -1.282 7.163 1.00 0.00 N ATOM 758 CA ILE A 51 -8.894 -1.650 5.802 1.00 0.00 C ATOM 759 C ILE A 51 -9.200 -0.384 5.011 1.00 0.00 C ATOM 760 O ILE A 51 -10.161 0.327 5.307 1.00 0.00 O ATOM 761 CB ILE A 51 -10.114 -2.609 5.751 1.00 0.00 C ATOM 762 CG1 ILE A 51 -9.773 -3.982 6.350 1.00 0.00 C ATOM 763 CG2 ILE A 51 -10.606 -2.777 4.318 1.00 0.00 C ATOM 764 CD1 ILE A 51 -9.670 -3.995 7.862 1.00 0.00 C ATOM 0 H ILE A 51 -9.250 -1.467 7.860 1.00 0.00 H new ATOM 0 HA ILE A 51 -8.051 -2.184 5.364 1.00 0.00 H new ATOM 0 HB ILE A 51 -10.907 -2.162 6.350 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -10.535 -4.698 6.043 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -8.827 -4.324 5.930 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -11.461 -3.453 4.304 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -10.903 -1.807 3.919 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -9.806 -3.192 3.705 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -9.427 -5.002 8.201 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -8.887 -3.306 8.179 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -10.622 -3.687 8.294 1.00 0.00 H new ATOM 776 N VAL A 52 -8.372 -0.093 4.023 1.00 0.00 N ATOM 777 CA VAL A 52 -8.475 1.160 3.290 1.00 0.00 C ATOM 778 C VAL A 52 -8.610 0.930 1.793 1.00 0.00 C ATOM 779 O VAL A 52 -8.601 -0.207 1.320 1.00 0.00 O ATOM 780 CB VAL A 52 -7.257 2.068 3.555 1.00 0.00 C ATOM 781 CG1 VAL A 52 -7.178 2.445 5.027 1.00 0.00 C ATOM 782 CG2 VAL A 52 -5.971 1.391 3.098 1.00 0.00 C ATOM 0 H VAL A 52 -7.620 -0.706 3.709 1.00 0.00 H new ATOM 0 HA VAL A 52 -9.377 1.655 3.651 1.00 0.00 H new ATOM 0 HB VAL A 52 -7.381 2.984 2.977 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -6.312 3.086 5.193 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -8.084 2.978 5.315 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -7.081 1.542 5.629 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -5.124 2.049 3.294 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -5.838 0.456 3.643 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -6.029 1.183 2.030 1.00 0.00 H new ATOM 792 N ILE A 53 -8.741 2.024 1.058 1.00 0.00 N ATOM 793 CA ILE A 53 -8.881 1.974 -0.388 1.00 0.00 C ATOM 794 C ILE A 53 -7.789 2.800 -1.062 1.00 0.00 C ATOM 795 O ILE A 53 -6.869 3.286 -0.400 1.00 0.00 O ATOM 796 CB ILE A 53 -10.269 2.489 -0.838 1.00 0.00 C ATOM 797 CG1 ILE A 53 -10.538 3.884 -0.261 1.00 0.00 C ATOM 798 CG2 ILE A 53 -11.359 1.511 -0.417 1.00 0.00 C ATOM 799 CD1 ILE A 53 -11.864 4.477 -0.689 1.00 0.00 C ATOM 0 H ILE A 53 -8.753 2.967 1.446 1.00 0.00 H new ATOM 0 HA ILE A 53 -8.783 0.931 -0.689 1.00 0.00 H new ATOM 0 HB ILE A 53 -10.276 2.564 -1.925 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -10.510 3.829 0.827 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -9.735 4.555 -0.567 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -12.330 1.887 -0.740 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -11.174 0.540 -0.877 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -11.354 1.405 0.668 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -11.983 5.464 -0.241 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -11.889 4.566 -1.775 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -12.676 3.829 -0.359 1.00 0.00 H new ATOM 811 N ASP A 54 -7.916 2.978 -2.371 1.00 0.00 N ATOM 812 CA ASP A 54 -6.916 3.678 -3.176 1.00 0.00 C ATOM 813 C ASP A 54 -6.887 5.177 -2.879 1.00 0.00 C ATOM 814 O ASP A 54 -5.952 5.876 -3.264 1.00 0.00 O ATOM 815 CB ASP A 54 -7.203 3.456 -4.666 1.00 0.00 C ATOM 816 CG ASP A 54 -8.622 3.845 -5.048 1.00 0.00 C ATOM 817 OD1 ASP A 54 -9.569 3.147 -4.623 1.00 0.00 O ATOM 818 OD2 ASP A 54 -8.802 4.846 -5.766 1.00 0.00 O ATOM 0 H ASP A 54 -8.716 2.642 -2.908 1.00 0.00 H new ATOM 0 HA ASP A 54 -5.940 3.269 -2.916 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -6.498 4.038 -5.259 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -7.038 2.407 -4.912 1.00 0.00 H new ATOM 823 N GLU A 55 -7.895 5.660 -2.175 1.00 0.00 N ATOM 824 CA GLU A 55 -8.040 7.089 -1.938 1.00 0.00 C ATOM 825 C GLU A 55 -7.161 7.558 -0.772 1.00 0.00 C ATOM 826 O GLU A 55 -7.020 8.761 -0.535 1.00 0.00 O ATOM 827 CB GLU A 55 -9.510 7.414 -1.661 1.00 0.00 C ATOM 828 CG GLU A 55 -9.852 8.883 -1.822 1.00 0.00 C ATOM 829 CD GLU A 55 -9.635 9.367 -3.238 1.00 0.00 C ATOM 830 OE1 GLU A 55 -10.523 9.160 -4.087 1.00 0.00 O ATOM 831 OE2 GLU A 55 -8.575 9.961 -3.507 1.00 0.00 O ATOM 0 H GLU A 55 -8.626 5.085 -1.756 1.00 0.00 H new ATOM 0 HA GLU A 55 -7.710 7.621 -2.831 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -10.135 6.829 -2.335 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -9.757 7.102 -0.646 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -10.892 9.045 -1.540 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -9.240 9.474 -1.140 1.00 0.00 H new ATOM 838 N GLU A 56 -6.559 6.614 -0.059 1.00 0.00 N ATOM 839 CA GLU A 56 -5.760 6.938 1.120 1.00 0.00 C ATOM 840 C GLU A 56 -4.349 7.387 0.748 1.00 0.00 C ATOM 841 O GLU A 56 -3.887 7.164 -0.371 1.00 0.00 O ATOM 842 CB GLU A 56 -5.680 5.732 2.061 1.00 0.00 C ATOM 843 CG GLU A 56 -6.976 5.428 2.791 1.00 0.00 C ATOM 844 CD GLU A 56 -7.300 6.453 3.857 1.00 0.00 C ATOM 845 OE1 GLU A 56 -6.740 6.359 4.970 1.00 0.00 O ATOM 846 OE2 GLU A 56 -8.119 7.356 3.590 1.00 0.00 O ATOM 0 H GLU A 56 -6.608 5.618 -0.275 1.00 0.00 H new ATOM 0 HA GLU A 56 -6.257 7.766 1.625 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.385 4.855 1.485 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.895 5.910 2.796 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -7.793 5.388 2.071 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -6.907 4.442 3.250 1.00 0.00 H new ATOM 853 N GLU A 57 -3.676 8.022 1.699 1.00 0.00 N ATOM 854 CA GLU A 57 -2.300 8.467 1.522 1.00 0.00 C ATOM 855 C GLU A 57 -1.345 7.527 2.252 1.00 0.00 C ATOM 856 O GLU A 57 -1.753 6.802 3.160 1.00 0.00 O ATOM 857 CB GLU A 57 -2.101 9.905 2.044 1.00 0.00 C ATOM 858 CG GLU A 57 -3.365 10.593 2.557 1.00 0.00 C ATOM 859 CD GLU A 57 -3.830 10.086 3.913 1.00 0.00 C ATOM 860 OE1 GLU A 57 -4.507 9.038 3.959 1.00 0.00 O ATOM 861 OE2 GLU A 57 -3.540 10.740 4.938 1.00 0.00 O ATOM 0 H GLU A 57 -4.068 8.243 2.614 1.00 0.00 H new ATOM 0 HA GLU A 57 -2.084 8.455 0.454 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -1.366 9.884 2.849 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -1.678 10.510 1.242 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -3.183 11.666 2.623 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -4.166 10.450 1.831 1.00 0.00 H new ATOM 868 N ILE A 58 -0.082 7.542 1.846 1.00 0.00 N ATOM 869 CA ILE A 58 0.945 6.726 2.483 1.00 0.00 C ATOM 870 C ILE A 58 1.817 7.609 3.382 1.00 0.00 C ATOM 871 O ILE A 58 1.932 8.813 3.149 1.00 0.00 O ATOM 872 CB ILE A 58 1.839 6.021 1.432 1.00 0.00 C ATOM 873 CG1 ILE A 58 0.985 5.409 0.316 1.00 0.00 C ATOM 874 CG2 ILE A 58 2.684 4.939 2.091 1.00 0.00 C ATOM 875 CD1 ILE A 58 1.799 4.843 -0.829 1.00 0.00 C ATOM 0 H ILE A 58 0.258 8.114 1.073 1.00 0.00 H new ATOM 0 HA ILE A 58 0.448 5.960 3.078 1.00 0.00 H new ATOM 0 HB ILE A 58 2.501 6.769 0.995 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.366 4.617 0.737 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.309 6.171 -0.072 1.00 0.00 H new ATOM 0 HG21 ILE A 58 3.306 4.454 1.338 1.00 0.00 H new ATOM 0 HG22 ILE A 58 3.321 5.388 2.853 1.00 0.00 H new ATOM 0 HG23 ILE A 58 2.031 4.199 2.554 1.00 0.00 H new ATOM 0 HD11 ILE A 58 1.129 4.427 -1.581 1.00 0.00 H new ATOM 0 HD12 ILE A 58 2.399 5.636 -1.276 1.00 0.00 H new ATOM 0 HD13 ILE A 58 2.456 4.058 -0.455 1.00 0.00 H new ATOM 887 N PHE A 59 2.430 7.015 4.402 1.00 0.00 N ATOM 888 CA PHE A 59 3.248 7.764 5.348 1.00 0.00 C ATOM 889 C PHE A 59 4.621 7.123 5.504 1.00 0.00 C ATOM 890 O PHE A 59 4.849 5.996 5.057 1.00 0.00 O ATOM 891 CB PHE A 59 2.556 7.850 6.712 1.00 0.00 C ATOM 892 CG PHE A 59 1.319 8.704 6.711 1.00 0.00 C ATOM 893 CD1 PHE A 59 1.410 10.073 6.908 1.00 0.00 C ATOM 894 CD2 PHE A 59 0.068 8.140 6.517 1.00 0.00 C ATOM 895 CE1 PHE A 59 0.277 10.863 6.909 1.00 0.00 C ATOM 896 CE2 PHE A 59 -1.068 8.927 6.516 1.00 0.00 C ATOM 897 CZ PHE A 59 -0.963 10.290 6.713 1.00 0.00 C ATOM 0 H PHE A 59 2.375 6.015 4.594 1.00 0.00 H new ATOM 0 HA PHE A 59 3.376 8.772 4.953 1.00 0.00 H new ATOM 0 HB2 PHE A 59 2.292 6.844 7.039 1.00 0.00 H new ATOM 0 HB3 PHE A 59 3.261 8.248 7.442 1.00 0.00 H new ATOM 0 HD1 PHE A 59 2.378 10.527 7.062 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -0.020 7.074 6.365 1.00 0.00 H new ATOM 0 HE1 PHE A 59 0.361 11.929 7.063 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -2.037 8.477 6.361 1.00 0.00 H new ATOM 0 HZ PHE A 59 -1.850 10.906 6.714 1.00 0.00 H new ATOM 907 N ASP A 60 5.531 7.842 6.150 1.00 0.00 N ATOM 908 CA ASP A 60 6.886 7.352 6.363 1.00 0.00 C ATOM 909 C ASP A 60 6.938 6.402 7.550 1.00 0.00 C ATOM 910 O ASP A 60 6.452 6.722 8.638 1.00 0.00 O ATOM 911 CB ASP A 60 7.859 8.510 6.592 1.00 0.00 C ATOM 912 CG ASP A 60 9.259 8.015 6.890 1.00 0.00 C ATOM 913 OD1 ASP A 60 9.909 7.488 5.971 1.00 0.00 O ATOM 914 OD2 ASP A 60 9.714 8.141 8.047 1.00 0.00 O ATOM 0 H ASP A 60 5.354 8.769 6.536 1.00 0.00 H new ATOM 0 HA ASP A 60 7.185 6.814 5.463 1.00 0.00 H new ATOM 0 HB2 ASP A 60 7.879 9.148 5.709 1.00 0.00 H new ATOM 0 HB3 ASP A 60 7.506 9.124 7.421 1.00 0.00 H new ATOM 919 N GLY A 61 7.531 5.238 7.339 1.00 0.00 N ATOM 920 CA GLY A 61 7.635 4.250 8.393 1.00 0.00 C ATOM 921 C GLY A 61 6.303 3.606 8.696 1.00 0.00 C ATOM 922 O GLY A 61 6.066 3.146 9.814 1.00 0.00 O ATOM 0 H GLY A 61 7.945 4.958 6.450 1.00 0.00 H new ATOM 0 HA2 GLY A 61 8.351 3.482 8.101 1.00 0.00 H new ATOM 0 HA3 GLY A 61 8.024 4.722 9.296 1.00 0.00 H new ATOM 926 N ASP A 62 5.423 3.577 7.706 1.00 0.00 N ATOM 927 CA ASP A 62 4.099 3.019 7.904 1.00 0.00 C ATOM 928 C ASP A 62 4.041 1.578 7.418 1.00 0.00 C ATOM 929 O ASP A 62 4.892 1.135 6.639 1.00 0.00 O ATOM 930 CB ASP A 62 3.035 3.862 7.204 1.00 0.00 C ATOM 931 CG ASP A 62 1.647 3.524 7.707 1.00 0.00 C ATOM 932 OD1 ASP A 62 1.493 3.375 8.943 1.00 0.00 O ATOM 933 OD2 ASP A 62 0.725 3.382 6.882 1.00 0.00 O ATOM 0 H ASP A 62 5.602 3.931 6.766 1.00 0.00 H new ATOM 0 HA ASP A 62 3.891 3.031 8.974 1.00 0.00 H new ATOM 0 HB2 ASP A 62 3.237 4.920 7.372 1.00 0.00 H new ATOM 0 HB3 ASP A 62 3.085 3.695 6.128 1.00 0.00 H new ATOM 938 N ILE A 63 3.041 0.854 7.889 1.00 0.00 N ATOM 939 CA ILE A 63 2.914 -0.561 7.594 1.00 0.00 C ATOM 940 C ILE A 63 1.722 -0.808 6.685 1.00 0.00 C ATOM 941 O ILE A 63 0.579 -0.610 7.083 1.00 0.00 O ATOM 942 CB ILE A 63 2.731 -1.385 8.887 1.00 0.00 C ATOM 943 CG1 ILE A 63 3.827 -1.043 9.902 1.00 0.00 C ATOM 944 CG2 ILE A 63 2.731 -2.876 8.577 1.00 0.00 C ATOM 945 CD1 ILE A 63 5.225 -1.421 9.450 1.00 0.00 C ATOM 0 H ILE A 63 2.300 1.227 8.482 1.00 0.00 H new ATOM 0 HA ILE A 63 3.832 -0.875 7.096 1.00 0.00 H new ATOM 0 HB ILE A 63 1.767 -1.128 9.325 1.00 0.00 H new ATOM 0 HG12 ILE A 63 3.799 0.028 10.105 1.00 0.00 H new ATOM 0 HG13 ILE A 63 3.610 -1.552 10.841 1.00 0.00 H new ATOM 0 HG21 ILE A 63 2.601 -3.440 9.501 1.00 0.00 H new ATOM 0 HG22 ILE A 63 1.913 -3.106 7.894 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.679 -3.151 8.114 1.00 0.00 H new ATOM 0 HD11 ILE A 63 5.944 -1.147 10.222 1.00 0.00 H new ATOM 0 HD12 ILE A 63 5.273 -2.496 9.275 1.00 0.00 H new ATOM 0 HD13 ILE A 63 5.465 -0.892 8.527 1.00 0.00 H new ATOM 957 N ILE A 64 1.987 -1.239 5.468 1.00 0.00 N ATOM 958 CA ILE A 64 0.921 -1.522 4.527 1.00 0.00 C ATOM 959 C ILE A 64 0.700 -3.026 4.443 1.00 0.00 C ATOM 960 O ILE A 64 1.543 -3.762 3.932 1.00 0.00 O ATOM 961 CB ILE A 64 1.233 -0.957 3.124 1.00 0.00 C ATOM 962 CG1 ILE A 64 1.536 0.543 3.202 1.00 0.00 C ATOM 963 CG2 ILE A 64 0.070 -1.211 2.174 1.00 0.00 C ATOM 964 CD1 ILE A 64 0.386 1.380 3.727 1.00 0.00 C ATOM 0 H ILE A 64 2.928 -1.401 5.108 1.00 0.00 H new ATOM 0 HA ILE A 64 0.015 -1.034 4.887 1.00 0.00 H new ATOM 0 HB ILE A 64 2.115 -1.469 2.739 1.00 0.00 H new ATOM 0 HG12 ILE A 64 2.404 0.695 3.843 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.807 0.900 2.209 1.00 0.00 H new ATOM 0 HG21 ILE A 64 0.308 -0.806 1.191 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -0.105 -2.284 2.092 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -0.827 -0.725 2.559 1.00 0.00 H new ATOM 0 HD11 ILE A 64 0.681 2.429 3.751 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -0.478 1.261 3.074 1.00 0.00 H new ATOM 0 HD13 ILE A 64 0.128 1.052 4.734 1.00 0.00 H new ATOM 976 N GLU A 65 -0.417 -3.483 4.974 1.00 0.00 N ATOM 977 CA GLU A 65 -0.720 -4.903 4.976 1.00 0.00 C ATOM 978 C GLU A 65 -1.683 -5.237 3.846 1.00 0.00 C ATOM 979 O GLU A 65 -2.883 -5.001 3.953 1.00 0.00 O ATOM 980 CB GLU A 65 -1.300 -5.328 6.331 1.00 0.00 C ATOM 981 CG GLU A 65 -1.562 -6.825 6.436 1.00 0.00 C ATOM 982 CD GLU A 65 -2.048 -7.247 7.809 1.00 0.00 C ATOM 983 OE1 GLU A 65 -1.349 -6.965 8.803 1.00 0.00 O ATOM 984 OE2 GLU A 65 -3.119 -7.883 7.899 1.00 0.00 O ATOM 0 H GLU A 65 -1.128 -2.895 5.408 1.00 0.00 H new ATOM 0 HA GLU A 65 0.204 -5.458 4.815 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -0.611 -5.031 7.122 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -2.233 -4.791 6.503 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -2.304 -7.112 5.690 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -0.646 -7.366 6.199 1.00 0.00 H new ATOM 991 N VAL A 66 -1.151 -5.759 2.749 1.00 0.00 N ATOM 992 CA VAL A 66 -1.982 -6.114 1.613 1.00 0.00 C ATOM 993 C VAL A 66 -2.252 -7.610 1.597 1.00 0.00 C ATOM 994 O VAL A 66 -1.394 -8.415 1.227 1.00 0.00 O ATOM 995 CB VAL A 66 -1.352 -5.675 0.273 1.00 0.00 C ATOM 996 CG1 VAL A 66 -2.187 -6.155 -0.904 1.00 0.00 C ATOM 997 CG2 VAL A 66 -1.209 -4.164 0.229 1.00 0.00 C ATOM 0 H VAL A 66 -0.156 -5.944 2.624 1.00 0.00 H new ATOM 0 HA VAL A 66 -2.925 -5.579 1.725 1.00 0.00 H new ATOM 0 HB VAL A 66 -0.363 -6.128 0.199 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -1.722 -5.833 -1.836 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -2.249 -7.243 -0.887 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -3.190 -5.734 -0.835 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.764 -3.868 -0.721 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -2.191 -3.703 0.329 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -0.569 -3.835 1.048 1.00 0.00 H new ATOM 1007 N ILE A 67 -3.451 -7.970 2.011 1.00 0.00 N ATOM 1008 CA ILE A 67 -3.861 -9.356 2.040 1.00 0.00 C ATOM 1009 C ILE A 67 -4.545 -9.710 0.729 1.00 0.00 C ATOM 1010 O ILE A 67 -5.716 -9.383 0.515 1.00 0.00 O ATOM 1011 CB ILE A 67 -4.828 -9.649 3.208 1.00 0.00 C ATOM 1012 CG1 ILE A 67 -4.266 -9.101 4.525 1.00 0.00 C ATOM 1013 CG2 ILE A 67 -5.083 -11.148 3.317 1.00 0.00 C ATOM 1014 CD1 ILE A 67 -5.144 -9.393 5.721 1.00 0.00 C ATOM 0 H ILE A 67 -4.162 -7.314 2.334 1.00 0.00 H new ATOM 0 HA ILE A 67 -2.966 -9.962 2.182 1.00 0.00 H new ATOM 0 HB ILE A 67 -5.775 -9.148 3.008 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -3.278 -9.529 4.696 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -4.135 -8.023 4.435 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -5.766 -11.342 4.144 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -5.525 -11.510 2.389 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -4.140 -11.665 3.496 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -4.686 -8.977 6.619 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -6.125 -8.942 5.571 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -5.255 -10.471 5.837 1.00 0.00 H new ATOM 1026 N ARG A 68 -3.795 -10.339 -0.161 1.00 0.00 N ATOM 1027 CA ARG A 68 -4.352 -10.817 -1.414 1.00 0.00 C ATOM 1028 C ARG A 68 -5.406 -11.878 -1.133 1.00 0.00 C ATOM 1029 O ARG A 68 -5.335 -12.584 -0.127 1.00 0.00 O ATOM 1030 CB ARG A 68 -3.243 -11.339 -2.341 1.00 0.00 C ATOM 1031 CG ARG A 68 -2.225 -12.249 -1.666 1.00 0.00 C ATOM 1032 CD ARG A 68 -2.751 -13.662 -1.483 1.00 0.00 C ATOM 1033 NE ARG A 68 -1.881 -14.460 -0.620 1.00 0.00 N ATOM 1034 CZ ARG A 68 -1.478 -15.699 -0.900 1.00 0.00 C ATOM 1035 NH1 ARG A 68 -1.808 -16.264 -2.055 1.00 0.00 N ATOM 1036 NH2 ARG A 68 -0.729 -16.362 -0.026 1.00 0.00 N ATOM 0 H ARG A 68 -2.801 -10.530 -0.039 1.00 0.00 H new ATOM 0 HA ARG A 68 -4.835 -9.989 -1.934 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -3.704 -11.881 -3.167 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -2.718 -10.487 -2.773 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -1.313 -12.277 -2.263 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -1.957 -11.834 -0.694 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -3.752 -13.624 -1.054 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -2.840 -14.145 -2.456 1.00 0.00 H new ATOM 0 HE ARG A 68 -1.562 -14.041 0.253 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -2.372 -15.750 -2.732 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -1.498 -17.213 -2.266 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -0.464 -15.923 0.856 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -0.419 -17.311 -0.237 1.00 0.00 H new ATOM 1050 N VAL A 69 -6.378 -11.993 -2.017 1.00 0.00 N ATOM 1051 CA VAL A 69 -7.540 -12.818 -1.744 1.00 0.00 C ATOM 1052 C VAL A 69 -7.275 -14.292 -2.045 1.00 0.00 C ATOM 1053 O VAL A 69 -7.038 -14.683 -3.188 1.00 0.00 O ATOM 1054 CB VAL A 69 -8.783 -12.322 -2.526 1.00 0.00 C ATOM 1055 CG1 VAL A 69 -8.527 -12.285 -4.025 1.00 0.00 C ATOM 1056 CG2 VAL A 69 -10.001 -13.183 -2.209 1.00 0.00 C ATOM 0 H VAL A 69 -6.387 -11.529 -2.925 1.00 0.00 H new ATOM 0 HA VAL A 69 -7.747 -12.726 -0.678 1.00 0.00 H new ATOM 0 HB VAL A 69 -8.986 -11.301 -2.202 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -9.422 -11.932 -4.538 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -7.698 -11.610 -4.236 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -8.278 -13.286 -4.376 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -10.861 -12.816 -2.769 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -9.799 -14.217 -2.490 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -10.215 -13.132 -1.141 1.00 0.00 H new ATOM 1066 N ILE A 70 -7.270 -15.099 -0.996 1.00 0.00 N ATOM 1067 CA ILE A 70 -7.257 -16.535 -1.152 1.00 0.00 C ATOM 1068 C ILE A 70 -8.708 -17.015 -1.189 1.00 0.00 C ATOM 1069 O ILE A 70 -9.397 -17.072 -0.168 1.00 0.00 O ATOM 1070 CB ILE A 70 -6.413 -17.230 -0.035 1.00 0.00 C ATOM 1071 CG1 ILE A 70 -6.327 -18.758 -0.243 1.00 0.00 C ATOM 1072 CG2 ILE A 70 -6.933 -16.892 1.361 1.00 0.00 C ATOM 1073 CD1 ILE A 70 -7.535 -19.547 0.238 1.00 0.00 C ATOM 0 H ILE A 70 -7.275 -14.778 -0.028 1.00 0.00 H new ATOM 0 HA ILE A 70 -6.768 -16.811 -2.086 1.00 0.00 H new ATOM 0 HB ILE A 70 -5.401 -16.833 -0.114 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -6.183 -18.956 -1.305 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -5.442 -19.129 0.273 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -6.320 -17.394 2.109 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -6.885 -15.814 1.516 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -7.966 -17.226 1.455 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -7.376 -20.608 0.047 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -7.671 -19.387 1.308 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -8.425 -19.212 -0.295 1.00 0.00 H new ATOM 1085 N TYR A 71 -9.188 -17.297 -2.385 1.00 0.00 N ATOM 1086 CA TYR A 71 -10.586 -17.636 -2.569 1.00 0.00 C ATOM 1087 C TYR A 71 -10.787 -19.138 -2.459 1.00 0.00 C ATOM 1088 O TYR A 71 -10.339 -19.900 -3.317 1.00 0.00 O ATOM 1089 CB TYR A 71 -11.081 -17.119 -3.924 1.00 0.00 C ATOM 1090 CG TYR A 71 -12.585 -17.088 -4.054 1.00 0.00 C ATOM 1091 CD1 TYR A 71 -13.352 -16.291 -3.214 1.00 0.00 C ATOM 1092 CD2 TYR A 71 -13.237 -17.842 -5.021 1.00 0.00 C ATOM 1093 CE1 TYR A 71 -14.727 -16.247 -3.332 1.00 0.00 C ATOM 1094 CE2 TYR A 71 -14.612 -17.805 -5.145 1.00 0.00 C ATOM 1095 CZ TYR A 71 -15.352 -17.005 -4.300 1.00 0.00 C ATOM 1096 OH TYR A 71 -16.724 -16.964 -4.422 1.00 0.00 O ATOM 0 H TYR A 71 -8.633 -17.298 -3.241 1.00 0.00 H new ATOM 0 HA TYR A 71 -11.170 -17.157 -1.783 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -10.692 -16.113 -4.083 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -10.671 -17.748 -4.714 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -12.865 -15.696 -2.456 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -12.660 -18.467 -5.686 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -15.309 -15.623 -2.670 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -15.105 -18.400 -5.900 1.00 0.00 H new ATOM 0 HH TYR A 71 -17.005 -17.554 -5.152 1.00 0.00 H new ATOM 1106 N GLY A 72 -11.443 -19.558 -1.389 1.00 0.00 N ATOM 1107 CA GLY A 72 -11.685 -20.966 -1.174 1.00 0.00 C ATOM 1108 C GLY A 72 -13.159 -21.285 -1.136 1.00 0.00 C ATOM 1109 O GLY A 72 -13.881 -20.814 -0.254 1.00 0.00 O ATOM 0 H GLY A 72 -11.813 -18.945 -0.663 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -11.210 -21.541 -1.968 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -11.223 -21.275 -0.236 1.00 0.00 H new ATOM 1113 N GLY A 73 -13.620 -22.065 -2.098 1.00 0.00 N ATOM 1114 CA GLY A 73 -15.011 -22.450 -2.123 1.00 0.00 C ATOM 1115 C GLY A 73 -15.250 -23.722 -1.343 1.00 0.00 C ATOM 1116 O GLY A 73 -14.386 -24.625 -1.393 1.00 0.00 O ATOM 1117 OXT GLY A 73 -16.280 -23.806 -0.645 1.00 0.00 O ATOM 0 H GLY A 73 -13.056 -22.438 -2.861 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -15.619 -21.647 -1.706 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -15.332 -22.590 -3.155 1.00 0.00 H new TER 1121 GLY A 73