USER MOD reduce.3.24.130724 H: found=0, std=0, add=614, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 611 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 42 THR OG1 : rot 60:sc= 0 USER MOD Set 1.2: A 43 THR OG1 : rot 180:sc= 0 USER MOD Set 1.3: A 73 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 57 THR OG1 : rot 180:sc= 0.351 USER MOD Set 2.2: A 60 SER OG : rot 81:sc= 0.183 USER MOD Single : A 1 MET CE :methyl -177:sc= 0 (180deg=-0.0301) USER MOD Single : A 1 MET N :NH3+ -112:sc= 0.761 (180deg=-0.0323) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 87:sc= 2.04 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 CYS SG : rot 76:sc= 0.379 USER MOD Single : A 35 MET CE :methyl 177:sc= -0.0242 (180deg=-0.0512) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0868) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot -3:sc= 1.19 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 160:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.247 5.196 13.631 1.00 0.00 N ATOM 2 CA MET A 1 -5.265 5.999 12.380 1.00 0.00 C ATOM 3 C MET A 1 -6.082 5.294 11.303 1.00 0.00 C ATOM 4 O MET A 1 -5.890 4.095 11.028 1.00 0.00 O ATOM 5 CB MET A 1 -3.854 6.286 11.826 1.00 0.00 C ATOM 6 CG MET A 1 -3.014 7.163 12.765 1.00 0.00 C ATOM 7 SD MET A 1 -1.375 7.632 12.140 1.00 0.00 S ATOM 8 CE MET A 1 -0.526 6.028 12.141 1.00 0.00 C ATOM 0 H1 MET A 1 -5.783 5.694 14.371 1.00 0.00 H new ATOM 0 H2 MET A 1 -5.682 4.268 13.454 1.00 0.00 H new ATOM 0 H3 MET A 1 -4.264 5.064 13.945 1.00 0.00 H new ATOM 0 HA MET A 1 -5.722 6.953 12.642 1.00 0.00 H new ATOM 0 HB2 MET A 1 -3.336 5.342 11.657 1.00 0.00 H new ATOM 0 HB3 MET A 1 -3.942 6.779 10.858 1.00 0.00 H new ATOM 0 HG2 MET A 1 -3.574 8.072 12.982 1.00 0.00 H new ATOM 0 HG3 MET A 1 -2.886 6.634 13.709 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.510 6.165 11.832 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.552 5.603 13.144 1.00 0.00 H new ATOM 0 HE3 MET A 1 -1.026 5.351 11.448 1.00 0.00 H new ATOM 17 N LYS A 2 -7.013 6.011 10.664 1.00 0.00 N ATOM 18 CA LYS A 2 -7.682 5.575 9.426 1.00 0.00 C ATOM 19 C LYS A 2 -6.816 5.898 8.205 1.00 0.00 C ATOM 20 O LYS A 2 -6.094 6.896 8.192 1.00 0.00 O ATOM 21 CB LYS A 2 -9.069 6.236 9.298 1.00 0.00 C ATOM 22 CG LYS A 2 -10.144 5.617 10.209 1.00 0.00 C ATOM 23 CD LYS A 2 -10.626 4.238 9.724 1.00 0.00 C ATOM 24 CE LYS A 2 -11.765 3.736 10.621 1.00 0.00 C ATOM 25 NZ LYS A 2 -12.354 2.465 10.115 1.00 0.00 N ATOM 0 H LYS A 2 -7.330 6.923 10.994 1.00 0.00 H new ATOM 0 HA LYS A 2 -7.821 4.495 9.472 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -8.977 7.297 9.531 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -9.400 6.164 8.262 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -9.745 5.521 11.219 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -10.997 6.294 10.266 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -10.968 4.306 8.691 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -9.799 3.528 9.740 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -11.390 3.584 11.633 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -12.542 4.498 10.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -13.120 2.160 10.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -12.736 2.615 9.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -11.619 1.730 10.082 1.00 0.00 H new ATOM 39 N ILE A 3 -6.935 5.079 7.167 1.00 0.00 N ATOM 40 CA ILE A 3 -6.385 5.287 5.821 1.00 0.00 C ATOM 41 C ILE A 3 -7.400 4.833 4.763 1.00 0.00 C ATOM 42 O ILE A 3 -8.300 4.047 5.068 1.00 0.00 O ATOM 43 CB ILE A 3 -5.024 4.571 5.639 1.00 0.00 C ATOM 44 CG1 ILE A 3 -5.108 3.048 5.895 1.00 0.00 C ATOM 45 CG2 ILE A 3 -3.940 5.235 6.504 1.00 0.00 C ATOM 46 CD1 ILE A 3 -3.916 2.275 5.304 1.00 0.00 C ATOM 0 H ILE A 3 -7.446 4.199 7.240 1.00 0.00 H new ATOM 0 HA ILE A 3 -6.199 6.353 5.691 1.00 0.00 H new ATOM 0 HB ILE A 3 -4.742 4.683 4.592 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -5.155 2.867 6.969 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -6.033 2.663 5.466 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -2.992 4.716 6.361 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -3.830 6.279 6.211 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -4.228 5.181 7.554 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -4.031 1.212 5.516 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -3.881 2.429 4.225 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -2.990 2.636 5.752 1.00 0.00 H new ATOM 58 N LYS A 4 -7.253 5.303 3.519 1.00 0.00 N ATOM 59 CA LYS A 4 -8.053 4.844 2.366 1.00 0.00 C ATOM 60 C LYS A 4 -7.167 4.222 1.291 1.00 0.00 C ATOM 61 O LYS A 4 -6.430 4.932 0.609 1.00 0.00 O ATOM 62 CB LYS A 4 -8.926 5.984 1.813 1.00 0.00 C ATOM 63 CG LYS A 4 -9.989 6.410 2.838 1.00 0.00 C ATOM 64 CD LYS A 4 -11.115 7.265 2.237 1.00 0.00 C ATOM 65 CE LYS A 4 -10.606 8.591 1.655 1.00 0.00 C ATOM 66 NZ LYS A 4 -11.728 9.427 1.148 1.00 0.00 N ATOM 0 H LYS A 4 -6.569 6.020 3.277 1.00 0.00 H new ATOM 0 HA LYS A 4 -8.728 4.061 2.710 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -8.298 6.838 1.559 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -9.412 5.661 0.892 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -10.423 5.518 3.291 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -9.506 6.971 3.638 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -11.617 6.698 1.453 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -11.858 7.472 3.007 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -10.058 9.140 2.421 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -9.905 8.389 0.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -11.351 10.316 0.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -12.235 8.911 0.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -12.383 9.639 1.928 1.00 0.00 H new ATOM 80 N ILE A 5 -7.223 2.899 1.140 1.00 0.00 N ATOM 81 CA ILE A 5 -6.496 2.182 0.084 1.00 0.00 C ATOM 82 C ILE A 5 -7.352 2.059 -1.185 1.00 0.00 C ATOM 83 O ILE A 5 -8.561 1.831 -1.109 1.00 0.00 O ATOM 84 CB ILE A 5 -5.932 0.840 0.601 1.00 0.00 C ATOM 85 CG1 ILE A 5 -4.928 0.264 -0.423 1.00 0.00 C ATOM 86 CG2 ILE A 5 -7.032 -0.181 0.946 1.00 0.00 C ATOM 87 CD1 ILE A 5 -3.998 -0.801 0.168 1.00 0.00 C ATOM 0 H ILE A 5 -7.774 2.290 1.746 1.00 0.00 H new ATOM 0 HA ILE A 5 -5.623 2.767 -0.205 1.00 0.00 H new ATOM 0 HB ILE A 5 -5.412 1.042 1.537 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -5.480 -0.169 -1.257 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -4.326 1.078 -0.827 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -6.573 -1.103 1.303 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -7.677 0.228 1.723 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -7.625 -0.392 0.056 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -3.320 -1.162 -0.605 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -3.420 -0.367 0.984 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -4.592 -1.633 0.547 1.00 0.00 H new ATOM 99 N VAL A 6 -6.726 2.222 -2.353 1.00 0.00 N ATOM 100 CA VAL A 6 -7.382 2.240 -3.671 1.00 0.00 C ATOM 101 C VAL A 6 -6.722 1.204 -4.599 1.00 0.00 C ATOM 102 O VAL A 6 -5.739 1.523 -5.276 1.00 0.00 O ATOM 103 CB VAL A 6 -7.373 3.661 -4.279 1.00 0.00 C ATOM 104 CG1 VAL A 6 -8.320 3.722 -5.485 1.00 0.00 C ATOM 105 CG2 VAL A 6 -7.803 4.740 -3.274 1.00 0.00 C ATOM 0 H VAL A 6 -5.716 2.350 -2.414 1.00 0.00 H new ATOM 0 HA VAL A 6 -8.429 1.961 -3.551 1.00 0.00 H new ATOM 0 HB VAL A 6 -6.344 3.863 -4.577 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -8.307 4.727 -5.907 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -7.994 3.007 -6.240 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -9.333 3.475 -5.165 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -7.778 5.717 -3.756 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -8.816 4.532 -2.928 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -7.121 4.737 -2.423 1.00 0.00 H new ATOM 115 N PRO A 7 -7.195 -0.058 -4.605 1.00 0.00 N ATOM 116 CA PRO A 7 -6.641 -1.122 -5.440 1.00 0.00 C ATOM 117 C PRO A 7 -7.190 -1.089 -6.878 1.00 0.00 C ATOM 118 O PRO A 7 -8.395 -1.195 -7.106 1.00 0.00 O ATOM 119 CB PRO A 7 -6.991 -2.414 -4.694 1.00 0.00 C ATOM 120 CG PRO A 7 -8.323 -2.088 -4.018 1.00 0.00 C ATOM 121 CD PRO A 7 -8.187 -0.603 -3.684 1.00 0.00 C ATOM 0 HA PRO A 7 -5.565 -1.017 -5.579 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -7.084 -3.259 -5.377 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -6.225 -2.676 -3.965 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -9.168 -2.277 -4.680 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -8.479 -2.690 -3.123 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -9.143 -0.091 -3.797 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -7.872 -0.466 -2.650 1.00 0.00 H new ATOM 129 N ALA A 8 -6.298 -1.012 -7.869 1.00 0.00 N ATOM 130 CA ALA A 8 -6.606 -1.005 -9.307 1.00 0.00 C ATOM 131 C ALA A 8 -6.955 -2.403 -9.886 1.00 0.00 C ATOM 132 O ALA A 8 -6.589 -2.736 -11.017 1.00 0.00 O ATOM 133 CB ALA A 8 -5.434 -0.326 -10.034 1.00 0.00 C ATOM 0 H ALA A 8 -5.296 -0.950 -7.686 1.00 0.00 H new ATOM 0 HA ALA A 8 -7.522 -0.437 -9.469 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -5.633 -0.305 -11.105 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -5.320 0.694 -9.667 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -4.517 -0.884 -9.846 1.00 0.00 H new ATOM 139 N VAL A 9 -7.641 -3.247 -9.107 1.00 0.00 N ATOM 140 CA VAL A 9 -7.926 -4.674 -9.381 1.00 0.00 C ATOM 141 C VAL A 9 -9.093 -4.885 -10.367 1.00 0.00 C ATOM 142 O VAL A 9 -10.047 -5.615 -10.094 1.00 0.00 O ATOM 143 CB VAL A 9 -8.086 -5.466 -8.060 1.00 0.00 C ATOM 144 CG1 VAL A 9 -6.740 -5.541 -7.326 1.00 0.00 C ATOM 145 CG2 VAL A 9 -9.143 -4.883 -7.107 1.00 0.00 C ATOM 0 H VAL A 9 -8.037 -2.943 -8.218 1.00 0.00 H new ATOM 0 HA VAL A 9 -7.059 -5.084 -9.899 1.00 0.00 H new ATOM 0 HB VAL A 9 -8.432 -6.459 -8.349 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -6.862 -6.100 -6.398 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -6.008 -6.043 -7.958 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -6.392 -4.533 -7.099 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -9.196 -5.493 -6.205 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -8.868 -3.863 -6.839 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -10.115 -4.880 -7.600 1.00 0.00 H new ATOM 155 N GLY A 10 -9.035 -4.223 -11.528 1.00 0.00 N ATOM 156 CA GLY A 10 -10.069 -4.295 -12.571 1.00 0.00 C ATOM 157 C GLY A 10 -11.340 -3.519 -12.205 1.00 0.00 C ATOM 158 O GLY A 10 -12.440 -4.078 -12.213 1.00 0.00 O ATOM 0 H GLY A 10 -8.257 -3.612 -11.775 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -9.665 -3.902 -13.504 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -10.326 -5.339 -12.750 1.00 0.00 H new ATOM 162 N GLY A 11 -11.187 -2.238 -11.845 1.00 0.00 N ATOM 163 CA GLY A 11 -12.284 -1.361 -11.406 1.00 0.00 C ATOM 164 C GLY A 11 -12.584 -1.411 -9.900 1.00 0.00 C ATOM 165 O GLY A 11 -13.708 -1.112 -9.489 1.00 0.00 O ATOM 0 H GLY A 11 -10.280 -1.772 -11.850 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -12.042 -0.334 -11.680 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -13.188 -1.632 -11.952 1.00 0.00 H new ATOM 169 N GLY A 12 -11.606 -1.802 -9.073 1.00 0.00 N ATOM 170 CA GLY A 12 -11.735 -1.859 -7.611 1.00 0.00 C ATOM 171 C GLY A 12 -12.007 -0.490 -6.964 1.00 0.00 C ATOM 172 O GLY A 12 -11.432 0.531 -7.358 1.00 0.00 O ATOM 0 H GLY A 12 -10.687 -2.093 -9.407 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -12.545 -2.541 -7.352 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -10.820 -2.276 -7.190 1.00 0.00 H new ATOM 176 N SER A 13 -12.905 -0.466 -5.976 1.00 0.00 N ATOM 177 CA SER A 13 -13.330 0.735 -5.238 1.00 0.00 C ATOM 178 C SER A 13 -12.381 1.094 -4.073 1.00 0.00 C ATOM 179 O SER A 13 -11.715 0.204 -3.530 1.00 0.00 O ATOM 180 CB SER A 13 -14.768 0.527 -4.731 1.00 0.00 C ATOM 181 OG SER A 13 -14.889 -0.640 -3.926 1.00 0.00 O ATOM 0 H SER A 13 -13.376 -1.311 -5.653 1.00 0.00 H new ATOM 0 HA SER A 13 -13.293 1.581 -5.924 1.00 0.00 H new ATOM 0 HB2 SER A 13 -15.078 1.398 -4.154 1.00 0.00 H new ATOM 0 HB3 SER A 13 -15.445 0.451 -5.582 1.00 0.00 H new ATOM 0 HG SER A 13 -15.816 -0.734 -3.623 1.00 0.00 H new ATOM 187 N PRO A 14 -12.322 2.373 -3.642 1.00 0.00 N ATOM 188 CA PRO A 14 -11.605 2.781 -2.428 1.00 0.00 C ATOM 189 C PRO A 14 -12.194 2.123 -1.167 1.00 0.00 C ATOM 190 O PRO A 14 -13.412 1.945 -1.063 1.00 0.00 O ATOM 191 CB PRO A 14 -11.731 4.309 -2.372 1.00 0.00 C ATOM 192 CG PRO A 14 -13.035 4.585 -3.118 1.00 0.00 C ATOM 193 CD PRO A 14 -13.014 3.522 -4.214 1.00 0.00 C ATOM 0 HA PRO A 14 -10.563 2.463 -2.459 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -11.771 4.671 -1.345 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -10.883 4.800 -2.850 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -13.904 4.483 -2.469 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -13.062 5.594 -3.530 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -14.026 3.256 -4.520 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -12.498 3.887 -5.102 1.00 0.00 H new ATOM 201 N LEU A 15 -11.339 1.796 -0.191 1.00 0.00 N ATOM 202 CA LEU A 15 -11.712 1.118 1.060 1.00 0.00 C ATOM 203 C LEU A 15 -11.047 1.783 2.279 1.00 0.00 C ATOM 204 O LEU A 15 -9.826 1.942 2.326 1.00 0.00 O ATOM 205 CB LEU A 15 -11.341 -0.384 0.960 1.00 0.00 C ATOM 206 CG LEU A 15 -12.480 -1.384 1.234 1.00 0.00 C ATOM 207 CD1 LEU A 15 -13.088 -1.219 2.628 1.00 0.00 C ATOM 208 CD2 LEU A 15 -13.595 -1.304 0.190 1.00 0.00 C ATOM 0 H LEU A 15 -10.341 2.000 -0.249 1.00 0.00 H new ATOM 0 HA LEU A 15 -12.789 1.206 1.203 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -10.950 -0.575 -0.039 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -10.532 -0.585 1.662 1.00 0.00 H new ATOM 0 HG LEU A 15 -12.011 -2.366 1.172 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -13.885 -1.949 2.766 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -12.317 -1.377 3.382 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -13.495 -0.213 2.731 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -14.372 -2.030 0.431 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -14.022 -0.301 0.190 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -13.186 -1.524 -0.796 1.00 0.00 H new ATOM 220 N GLU A 16 -11.854 2.145 3.278 1.00 0.00 N ATOM 221 CA GLU A 16 -11.398 2.641 4.586 1.00 0.00 C ATOM 222 C GLU A 16 -10.865 1.494 5.464 1.00 0.00 C ATOM 223 O GLU A 16 -11.550 0.485 5.652 1.00 0.00 O ATOM 224 CB GLU A 16 -12.554 3.350 5.316 1.00 0.00 C ATOM 225 CG GLU A 16 -12.984 4.667 4.649 1.00 0.00 C ATOM 226 CD GLU A 16 -14.250 5.276 5.289 1.00 0.00 C ATOM 227 OE1 GLU A 16 -15.247 4.548 5.521 1.00 0.00 O ATOM 228 OE2 GLU A 16 -14.268 6.506 5.543 1.00 0.00 O ATOM 0 H GLU A 16 -12.870 2.102 3.202 1.00 0.00 H new ATOM 0 HA GLU A 16 -10.587 3.347 4.410 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -13.411 2.678 5.361 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -12.254 3.554 6.344 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -12.167 5.386 4.715 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -13.168 4.489 3.589 1.00 0.00 H new ATOM 235 N LEU A 17 -9.673 1.665 6.048 1.00 0.00 N ATOM 236 CA LEU A 17 -8.989 0.682 6.904 1.00 0.00 C ATOM 237 C LEU A 17 -8.287 1.371 8.090 1.00 0.00 C ATOM 238 O LEU A 17 -7.830 2.507 7.983 1.00 0.00 O ATOM 239 CB LEU A 17 -7.976 -0.127 6.055 1.00 0.00 C ATOM 240 CG LEU A 17 -8.174 -1.655 6.006 1.00 0.00 C ATOM 241 CD1 LEU A 17 -8.115 -2.305 7.391 1.00 0.00 C ATOM 242 CD2 LEU A 17 -9.478 -2.071 5.325 1.00 0.00 C ATOM 0 H LEU A 17 -9.136 2.525 5.934 1.00 0.00 H new ATOM 0 HA LEU A 17 -9.731 -0.001 7.318 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -8.009 0.253 5.034 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -6.975 0.074 6.438 1.00 0.00 H new ATOM 0 HG LEU A 17 -7.337 -2.014 5.407 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -8.261 -3.381 7.294 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -7.143 -2.110 7.843 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -8.899 -1.888 8.022 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -9.557 -3.158 5.323 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -10.323 -1.647 5.867 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -9.485 -1.705 4.298 1.00 0.00 H new ATOM 254 N GLU A 18 -8.182 0.672 9.221 1.00 0.00 N ATOM 255 CA GLU A 18 -7.369 1.063 10.386 1.00 0.00 C ATOM 256 C GLU A 18 -5.905 0.593 10.229 1.00 0.00 C ATOM 257 O GLU A 18 -5.663 -0.517 9.746 1.00 0.00 O ATOM 258 CB GLU A 18 -8.030 0.488 11.650 1.00 0.00 C ATOM 259 CG GLU A 18 -7.297 0.722 12.980 1.00 0.00 C ATOM 260 CD GLU A 18 -7.104 2.208 13.346 1.00 0.00 C ATOM 261 OE1 GLU A 18 -7.944 3.080 13.018 1.00 0.00 O ATOM 262 OE2 GLU A 18 -6.075 2.507 13.993 1.00 0.00 O ATOM 0 H GLU A 18 -8.674 -0.211 9.361 1.00 0.00 H new ATOM 0 HA GLU A 18 -7.329 2.149 10.467 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -9.030 0.912 11.734 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -8.150 -0.587 11.512 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -7.854 0.233 13.779 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -6.320 0.242 12.932 1.00 0.00 H new ATOM 269 N VAL A 19 -4.925 1.402 10.659 1.00 0.00 N ATOM 270 CA VAL A 19 -3.482 1.068 10.616 1.00 0.00 C ATOM 271 C VAL A 19 -2.703 1.622 11.822 1.00 0.00 C ATOM 272 O VAL A 19 -2.963 2.730 12.298 1.00 0.00 O ATOM 273 CB VAL A 19 -2.867 1.500 9.263 1.00 0.00 C ATOM 274 CG1 VAL A 19 -2.726 3.020 9.115 1.00 0.00 C ATOM 275 CG2 VAL A 19 -1.491 0.867 9.027 1.00 0.00 C ATOM 0 H VAL A 19 -5.110 2.324 11.054 1.00 0.00 H new ATOM 0 HA VAL A 19 -3.394 -0.016 10.693 1.00 0.00 H new ATOM 0 HB VAL A 19 -3.576 1.142 8.516 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -2.289 3.252 8.144 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.709 3.486 9.191 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.081 3.404 9.905 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.098 1.198 8.066 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.810 1.171 9.822 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -1.585 -0.219 9.025 1.00 0.00 H new ATOM 285 N ALA A 20 -1.736 0.843 12.318 1.00 0.00 N ATOM 286 CA ALA A 20 -0.838 1.208 13.417 1.00 0.00 C ATOM 287 C ALA A 20 0.369 2.060 12.945 1.00 0.00 C ATOM 288 O ALA A 20 0.856 1.861 11.829 1.00 0.00 O ATOM 289 CB ALA A 20 -0.367 -0.093 14.086 1.00 0.00 C ATOM 0 H ALA A 20 -1.551 -0.091 11.952 1.00 0.00 H new ATOM 0 HA ALA A 20 -1.379 1.834 14.127 1.00 0.00 H new ATOM 0 HB1 ALA A 20 0.305 0.145 14.911 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -1.230 -0.639 14.467 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.158 -0.708 13.356 1.00 0.00 H new ATOM 295 N PRO A 21 0.930 2.955 13.789 1.00 0.00 N ATOM 296 CA PRO A 21 2.120 3.756 13.453 1.00 0.00 C ATOM 297 C PRO A 21 3.396 2.913 13.253 1.00 0.00 C ATOM 298 O PRO A 21 4.315 3.330 12.543 1.00 0.00 O ATOM 299 CB PRO A 21 2.275 4.739 14.620 1.00 0.00 C ATOM 300 CG PRO A 21 1.646 4.000 15.802 1.00 0.00 C ATOM 301 CD PRO A 21 0.491 3.245 15.149 1.00 0.00 C ATOM 0 HA PRO A 21 1.985 4.257 12.494 1.00 0.00 H new ATOM 0 HB2 PRO A 21 3.322 4.976 14.807 1.00 0.00 H new ATOM 0 HB3 PRO A 21 1.766 5.682 14.420 1.00 0.00 H new ATOM 0 HG2 PRO A 21 2.354 3.323 16.279 1.00 0.00 H new ATOM 0 HG3 PRO A 21 1.296 4.689 16.571 1.00 0.00 H new ATOM 0 HD2 PRO A 21 0.266 2.327 15.692 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -0.419 3.846 15.147 1.00 0.00 H new ATOM 309 N ASN A 22 3.443 1.713 13.844 1.00 0.00 N ATOM 310 CA ASN A 22 4.543 0.749 13.717 1.00 0.00 C ATOM 311 C ASN A 22 4.521 -0.056 12.395 1.00 0.00 C ATOM 312 O ASN A 22 5.382 -0.917 12.195 1.00 0.00 O ATOM 313 CB ASN A 22 4.534 -0.185 14.948 1.00 0.00 C ATOM 314 CG ASN A 22 4.777 0.511 16.281 1.00 0.00 C ATOM 315 OD1 ASN A 22 5.241 1.640 16.372 1.00 0.00 O ATOM 316 ND2 ASN A 22 4.475 -0.153 17.375 1.00 0.00 N ATOM 0 H ASN A 22 2.691 1.375 14.444 1.00 0.00 H new ATOM 0 HA ASN A 22 5.474 1.315 13.682 1.00 0.00 H new ATOM 0 HB2 ASN A 22 3.572 -0.696 14.991 1.00 0.00 H new ATOM 0 HB3 ASN A 22 5.297 -0.952 14.810 1.00 0.00 H new ATOM 0 HD21 ASN A 22 4.628 0.273 18.289 1.00 0.00 H new ATOM 0 HD22 ASN A 22 4.088 -1.094 17.310 1.00 0.00 H new ATOM 323 N ALA A 23 3.557 0.187 11.496 1.00 0.00 N ATOM 324 CA ALA A 23 3.484 -0.484 10.196 1.00 0.00 C ATOM 325 C ALA A 23 4.751 -0.240 9.348 1.00 0.00 C ATOM 326 O ALA A 23 5.304 0.865 9.321 1.00 0.00 O ATOM 327 CB ALA A 23 2.210 -0.044 9.466 1.00 0.00 C ATOM 0 H ALA A 23 2.804 0.857 11.653 1.00 0.00 H new ATOM 0 HA ALA A 23 3.437 -1.561 10.360 1.00 0.00 H new ATOM 0 HB1 ALA A 23 2.154 -0.543 8.498 1.00 0.00 H new ATOM 0 HB2 ALA A 23 1.338 -0.312 10.063 1.00 0.00 H new ATOM 0 HB3 ALA A 23 2.230 1.036 9.317 1.00 0.00 H new ATOM 333 N THR A 24 5.203 -1.288 8.651 1.00 0.00 N ATOM 334 CA THR A 24 6.453 -1.312 7.870 1.00 0.00 C ATOM 335 C THR A 24 6.151 -1.588 6.398 1.00 0.00 C ATOM 336 O THR A 24 5.428 -2.531 6.076 1.00 0.00 O ATOM 337 CB THR A 24 7.422 -2.364 8.443 1.00 0.00 C ATOM 338 OG1 THR A 24 7.757 -2.044 9.776 1.00 0.00 O ATOM 339 CG2 THR A 24 8.742 -2.460 7.672 1.00 0.00 C ATOM 0 H THR A 24 4.696 -2.172 8.611 1.00 0.00 H new ATOM 0 HA THR A 24 6.933 -0.336 7.941 1.00 0.00 H new ATOM 0 HB THR A 24 6.894 -3.314 8.365 1.00 0.00 H new ATOM 0 HG1 THR A 24 8.372 -2.720 10.130 1.00 0.00 H new ATOM 0 HG21 THR A 24 9.376 -3.219 8.129 1.00 0.00 H new ATOM 0 HG22 THR A 24 8.539 -2.732 6.636 1.00 0.00 H new ATOM 0 HG23 THR A 24 9.251 -1.497 7.701 1.00 0.00 H new ATOM 347 N VAL A 25 6.725 -0.798 5.486 1.00 0.00 N ATOM 348 CA VAL A 25 6.427 -0.871 4.039 1.00 0.00 C ATOM 349 C VAL A 25 6.777 -2.224 3.412 1.00 0.00 C ATOM 350 O VAL A 25 6.058 -2.684 2.528 1.00 0.00 O ATOM 351 CB VAL A 25 7.104 0.280 3.269 1.00 0.00 C ATOM 352 CG1 VAL A 25 6.502 1.619 3.708 1.00 0.00 C ATOM 353 CG2 VAL A 25 8.632 0.316 3.431 1.00 0.00 C ATOM 0 H VAL A 25 7.414 -0.084 5.724 1.00 0.00 H new ATOM 0 HA VAL A 25 5.346 -0.762 3.953 1.00 0.00 H new ATOM 0 HB VAL A 25 6.912 0.101 2.211 1.00 0.00 H new ATOM 0 HG11 VAL A 25 6.983 2.431 3.162 1.00 0.00 H new ATOM 0 HG12 VAL A 25 5.433 1.624 3.498 1.00 0.00 H new ATOM 0 HG13 VAL A 25 6.662 1.757 4.777 1.00 0.00 H new ATOM 0 HG21 VAL A 25 9.039 1.152 2.861 1.00 0.00 H new ATOM 0 HG22 VAL A 25 8.883 0.438 4.485 1.00 0.00 H new ATOM 0 HG23 VAL A 25 9.059 -0.617 3.062 1.00 0.00 H new ATOM 363 N GLY A 26 7.813 -2.911 3.907 1.00 0.00 N ATOM 364 CA GLY A 26 8.158 -4.279 3.495 1.00 0.00 C ATOM 365 C GLY A 26 7.109 -5.318 3.905 1.00 0.00 C ATOM 366 O GLY A 26 6.793 -6.215 3.121 1.00 0.00 O ATOM 0 H GLY A 26 8.443 -2.530 4.613 1.00 0.00 H new ATOM 0 HA2 GLY A 26 8.281 -4.305 2.412 1.00 0.00 H new ATOM 0 HA3 GLY A 26 9.119 -4.551 3.932 1.00 0.00 H new ATOM 370 N ALA A 27 6.501 -5.170 5.086 1.00 0.00 N ATOM 371 CA ALA A 27 5.403 -6.025 5.544 1.00 0.00 C ATOM 372 C ALA A 27 4.112 -5.770 4.745 1.00 0.00 C ATOM 373 O ALA A 27 3.453 -6.723 4.327 1.00 0.00 O ATOM 374 CB ALA A 27 5.196 -5.811 7.050 1.00 0.00 C ATOM 0 H ALA A 27 6.760 -4.446 5.757 1.00 0.00 H new ATOM 0 HA ALA A 27 5.666 -7.068 5.369 1.00 0.00 H new ATOM 0 HB1 ALA A 27 4.380 -6.444 7.399 1.00 0.00 H new ATOM 0 HB2 ALA A 27 6.110 -6.071 7.583 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.950 -4.766 7.239 1.00 0.00 H new ATOM 380 N VAL A 28 3.784 -4.502 4.460 1.00 0.00 N ATOM 381 CA VAL A 28 2.633 -4.127 3.613 1.00 0.00 C ATOM 382 C VAL A 28 2.812 -4.645 2.179 1.00 0.00 C ATOM 383 O VAL A 28 1.904 -5.277 1.638 1.00 0.00 O ATOM 384 CB VAL A 28 2.385 -2.603 3.637 1.00 0.00 C ATOM 385 CG1 VAL A 28 1.209 -2.199 2.738 1.00 0.00 C ATOM 386 CG2 VAL A 28 2.055 -2.110 5.053 1.00 0.00 C ATOM 0 H VAL A 28 4.309 -3.701 4.810 1.00 0.00 H new ATOM 0 HA VAL A 28 1.746 -4.604 4.030 1.00 0.00 H new ATOM 0 HB VAL A 28 3.308 -2.150 3.276 1.00 0.00 H new ATOM 0 HG11 VAL A 28 1.070 -1.119 2.785 1.00 0.00 H new ATOM 0 HG12 VAL A 28 1.419 -2.494 1.710 1.00 0.00 H new ATOM 0 HG13 VAL A 28 0.302 -2.697 3.080 1.00 0.00 H new ATOM 0 HG21 VAL A 28 1.886 -1.033 5.033 1.00 0.00 H new ATOM 0 HG22 VAL A 28 1.157 -2.612 5.413 1.00 0.00 H new ATOM 0 HG23 VAL A 28 2.888 -2.335 5.720 1.00 0.00 H new ATOM 396 N ARG A 29 4.005 -4.478 1.587 1.00 0.00 N ATOM 397 CA ARG A 29 4.385 -5.062 0.287 1.00 0.00 C ATOM 398 C ARG A 29 4.202 -6.580 0.287 1.00 0.00 C ATOM 399 O ARG A 29 3.579 -7.120 -0.622 1.00 0.00 O ATOM 400 CB ARG A 29 5.847 -4.682 -0.026 1.00 0.00 C ATOM 401 CG ARG A 29 6.379 -5.235 -1.366 1.00 0.00 C ATOM 402 CD ARG A 29 7.825 -5.744 -1.268 1.00 0.00 C ATOM 403 NE ARG A 29 7.932 -6.979 -0.455 1.00 0.00 N ATOM 404 CZ ARG A 29 8.832 -7.941 -0.578 1.00 0.00 C ATOM 405 NH1 ARG A 29 9.789 -7.894 -1.462 1.00 0.00 N ATOM 406 NH2 ARG A 29 8.790 -8.980 0.202 1.00 0.00 N ATOM 0 H ARG A 29 4.750 -3.921 2.006 1.00 0.00 H new ATOM 0 HA ARG A 29 3.733 -4.661 -0.489 1.00 0.00 H new ATOM 0 HB2 ARG A 29 5.933 -3.595 -0.036 1.00 0.00 H new ATOM 0 HB3 ARG A 29 6.484 -5.044 0.781 1.00 0.00 H new ATOM 0 HG2 ARG A 29 5.734 -6.048 -1.700 1.00 0.00 H new ATOM 0 HG3 ARG A 29 6.324 -4.453 -2.124 1.00 0.00 H new ATOM 0 HD2 ARG A 29 8.209 -5.937 -2.270 1.00 0.00 H new ATOM 0 HD3 ARG A 29 8.452 -4.968 -0.830 1.00 0.00 H new ATOM 0 HE ARG A 29 7.235 -7.100 0.280 1.00 0.00 H new ATOM 0 HH11 ARG A 29 9.863 -7.094 -2.091 1.00 0.00 H new ATOM 0 HH12 ARG A 29 10.463 -8.657 -1.525 1.00 0.00 H new ATOM 0 HH21 ARG A 29 8.061 -9.056 0.912 1.00 0.00 H new ATOM 0 HH22 ARG A 29 9.486 -9.720 0.104 1.00 0.00 H new ATOM 420 N THR A 30 4.715 -7.267 1.308 1.00 0.00 N ATOM 421 CA THR A 30 4.646 -8.737 1.409 1.00 0.00 C ATOM 422 C THR A 30 3.204 -9.231 1.559 1.00 0.00 C ATOM 423 O THR A 30 2.824 -10.191 0.889 1.00 0.00 O ATOM 424 CB THR A 30 5.534 -9.258 2.550 1.00 0.00 C ATOM 425 OG1 THR A 30 6.862 -8.833 2.325 1.00 0.00 O ATOM 426 CG2 THR A 30 5.575 -10.784 2.632 1.00 0.00 C ATOM 0 H THR A 30 5.193 -6.825 2.093 1.00 0.00 H new ATOM 0 HA THR A 30 5.030 -9.143 0.473 1.00 0.00 H new ATOM 0 HB THR A 30 5.110 -8.867 3.475 1.00 0.00 H new ATOM 0 HG1 THR A 30 6.990 -7.941 2.710 1.00 0.00 H new ATOM 0 HG21 THR A 30 6.219 -11.087 3.458 1.00 0.00 H new ATOM 0 HG22 THR A 30 4.568 -11.167 2.798 1.00 0.00 H new ATOM 0 HG23 THR A 30 5.968 -11.188 1.699 1.00 0.00 H new ATOM 434 N LYS A 31 2.366 -8.540 2.347 1.00 0.00 N ATOM 435 CA LYS A 31 0.918 -8.804 2.453 1.00 0.00 C ATOM 436 C LYS A 31 0.216 -8.652 1.101 1.00 0.00 C ATOM 437 O LYS A 31 -0.526 -9.545 0.700 1.00 0.00 O ATOM 438 CB LYS A 31 0.309 -7.876 3.525 1.00 0.00 C ATOM 439 CG LYS A 31 -1.213 -8.018 3.724 1.00 0.00 C ATOM 440 CD LYS A 31 -1.696 -9.415 4.152 1.00 0.00 C ATOM 441 CE LYS A 31 -1.109 -9.835 5.508 1.00 0.00 C ATOM 442 NZ LYS A 31 -1.663 -11.136 5.968 1.00 0.00 N ATOM 0 H LYS A 31 2.678 -7.770 2.939 1.00 0.00 H new ATOM 0 HA LYS A 31 0.767 -9.839 2.759 1.00 0.00 H new ATOM 0 HB2 LYS A 31 0.804 -8.071 4.476 1.00 0.00 H new ATOM 0 HB3 LYS A 31 0.530 -6.843 3.257 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -1.533 -7.296 4.475 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.711 -7.750 2.792 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -2.784 -9.420 4.211 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -1.414 -10.145 3.393 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -0.025 -9.909 5.428 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -1.322 -9.066 6.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -1.244 -11.387 6.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -2.695 -11.058 6.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -1.438 -11.875 5.271 1.00 0.00 H new ATOM 456 N VAL A 32 0.490 -7.571 0.368 1.00 0.00 N ATOM 457 CA VAL A 32 -0.056 -7.324 -0.980 1.00 0.00 C ATOM 458 C VAL A 32 0.377 -8.407 -1.980 1.00 0.00 C ATOM 459 O VAL A 32 -0.469 -8.968 -2.678 1.00 0.00 O ATOM 460 CB VAL A 32 0.322 -5.901 -1.446 1.00 0.00 C ATOM 461 CG1 VAL A 32 0.112 -5.681 -2.947 1.00 0.00 C ATOM 462 CG2 VAL A 32 -0.519 -4.864 -0.689 1.00 0.00 C ATOM 0 H VAL A 32 1.107 -6.827 0.694 1.00 0.00 H new ATOM 0 HA VAL A 32 -1.143 -7.384 -0.933 1.00 0.00 H new ATOM 0 HB VAL A 32 1.385 -5.784 -1.234 1.00 0.00 H new ATOM 0 HG11 VAL A 32 0.396 -4.662 -3.209 1.00 0.00 H new ATOM 0 HG12 VAL A 32 0.728 -6.385 -3.507 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -0.938 -5.840 -3.195 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -0.248 -3.862 -1.022 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -1.577 -5.038 -0.887 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -0.331 -4.954 0.381 1.00 0.00 H new ATOM 472 N CYS A 33 1.663 -8.767 -2.012 1.00 0.00 N ATOM 473 CA CYS A 33 2.185 -9.823 -2.888 1.00 0.00 C ATOM 474 C CYS A 33 1.597 -11.206 -2.550 1.00 0.00 C ATOM 475 O CYS A 33 1.261 -11.970 -3.455 1.00 0.00 O ATOM 476 CB CYS A 33 3.719 -9.839 -2.812 1.00 0.00 C ATOM 477 SG CYS A 33 4.404 -8.279 -3.448 1.00 0.00 S ATOM 0 H CYS A 33 2.377 -8.332 -1.428 1.00 0.00 H new ATOM 0 HA CYS A 33 1.877 -9.600 -3.909 1.00 0.00 H new ATOM 0 HB2 CYS A 33 4.036 -9.989 -1.780 1.00 0.00 H new ATOM 0 HB3 CYS A 33 4.109 -10.677 -3.390 1.00 0.00 H new ATOM 0 HG CYS A 33 4.251 -7.343 -2.559 1.00 0.00 H new ATOM 483 N ALA A 34 1.405 -11.519 -1.263 1.00 0.00 N ATOM 484 CA ALA A 34 0.752 -12.750 -0.812 1.00 0.00 C ATOM 485 C ALA A 34 -0.745 -12.791 -1.181 1.00 0.00 C ATOM 486 O ALA A 34 -1.232 -13.819 -1.654 1.00 0.00 O ATOM 487 CB ALA A 34 0.962 -12.890 0.701 1.00 0.00 C ATOM 0 H ALA A 34 1.703 -10.915 -0.497 1.00 0.00 H new ATOM 0 HA ALA A 34 1.206 -13.597 -1.327 1.00 0.00 H new ATOM 0 HB1 ALA A 34 0.481 -13.803 1.052 1.00 0.00 H new ATOM 0 HB2 ALA A 34 2.029 -12.936 0.917 1.00 0.00 H new ATOM 0 HB3 ALA A 34 0.525 -12.031 1.210 1.00 0.00 H new ATOM 493 N MET A 35 -1.466 -11.672 -1.028 1.00 0.00 N ATOM 494 CA MET A 35 -2.893 -11.551 -1.368 1.00 0.00 C ATOM 495 C MET A 35 -3.160 -11.682 -2.876 1.00 0.00 C ATOM 496 O MET A 35 -4.123 -12.341 -3.274 1.00 0.00 O ATOM 497 CB MET A 35 -3.443 -10.208 -0.853 1.00 0.00 C ATOM 498 CG MET A 35 -3.573 -10.150 0.677 1.00 0.00 C ATOM 499 SD MET A 35 -5.253 -10.366 1.340 1.00 0.00 S ATOM 500 CE MET A 35 -5.638 -12.060 0.816 1.00 0.00 C ATOM 0 H MET A 35 -1.068 -10.809 -0.658 1.00 0.00 H new ATOM 0 HA MET A 35 -3.408 -12.378 -0.880 1.00 0.00 H new ATOM 0 HB2 MET A 35 -2.787 -9.403 -1.186 1.00 0.00 H new ATOM 0 HB3 MET A 35 -4.420 -10.028 -1.301 1.00 0.00 H new ATOM 0 HG2 MET A 35 -2.932 -10.920 1.106 1.00 0.00 H new ATOM 0 HG3 MET A 35 -3.189 -9.189 1.019 1.00 0.00 H new ATOM 0 HE1 MET A 35 -6.617 -12.346 1.200 1.00 0.00 H new ATOM 0 HE2 MET A 35 -5.646 -12.111 -0.273 1.00 0.00 H new ATOM 0 HE3 MET A 35 -4.882 -12.742 1.206 1.00 0.00 H new ATOM 510 N LYS A 36 -2.318 -11.073 -3.724 1.00 0.00 N ATOM 511 CA LYS A 36 -2.405 -11.161 -5.198 1.00 0.00 C ATOM 512 C LYS A 36 -1.702 -12.393 -5.796 1.00 0.00 C ATOM 513 O LYS A 36 -1.856 -12.650 -6.989 1.00 0.00 O ATOM 514 CB LYS A 36 -1.874 -9.854 -5.823 1.00 0.00 C ATOM 515 CG LYS A 36 -2.634 -8.565 -5.442 1.00 0.00 C ATOM 516 CD LYS A 36 -4.134 -8.554 -5.791 1.00 0.00 C ATOM 517 CE LYS A 36 -5.007 -9.134 -4.667 1.00 0.00 C ATOM 518 NZ LYS A 36 -6.450 -9.143 -5.030 1.00 0.00 N ATOM 0 H LYS A 36 -1.542 -10.494 -3.404 1.00 0.00 H new ATOM 0 HA LYS A 36 -3.458 -11.291 -5.447 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -0.829 -9.735 -5.535 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -1.896 -9.958 -6.908 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -2.527 -8.404 -4.369 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -2.156 -7.721 -5.940 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -4.447 -7.531 -5.998 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -4.295 -9.128 -6.704 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -4.683 -10.151 -4.444 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -4.865 -8.548 -3.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -7.003 -9.542 -4.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -6.767 -8.170 -5.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -6.590 -9.723 -5.882 1.00 0.00 H new ATOM 532 N LYS A 37 -0.933 -13.144 -4.991 1.00 0.00 N ATOM 533 CA LYS A 37 -0.075 -14.293 -5.371 1.00 0.00 C ATOM 534 C LYS A 37 1.005 -13.981 -6.430 1.00 0.00 C ATOM 535 O LYS A 37 1.620 -14.910 -6.957 1.00 0.00 O ATOM 536 CB LYS A 37 -0.953 -15.521 -5.726 1.00 0.00 C ATOM 537 CG LYS A 37 -1.691 -16.135 -4.522 1.00 0.00 C ATOM 538 CD LYS A 37 -0.978 -17.319 -3.840 1.00 0.00 C ATOM 539 CE LYS A 37 0.424 -17.033 -3.277 1.00 0.00 C ATOM 540 NZ LYS A 37 1.510 -17.313 -4.259 1.00 0.00 N ATOM 0 H LYS A 37 -0.887 -12.957 -3.989 1.00 0.00 H new ATOM 0 HA LYS A 37 0.520 -14.540 -4.491 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -1.687 -15.225 -6.476 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -0.323 -16.285 -6.181 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -1.851 -15.353 -3.779 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -2.675 -16.468 -4.852 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -1.608 -17.676 -3.025 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -0.898 -18.133 -4.561 1.00 0.00 H new ATOM 0 HE2 LYS A 37 0.480 -15.989 -2.968 1.00 0.00 H new ATOM 0 HE3 LYS A 37 0.583 -17.639 -2.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 2.432 -17.267 -3.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 1.377 -18.262 -4.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 1.480 -16.605 -5.020 1.00 0.00 H new ATOM 554 N LEU A 38 1.262 -12.702 -6.717 1.00 0.00 N ATOM 555 CA LEU A 38 2.180 -12.199 -7.752 1.00 0.00 C ATOM 556 C LEU A 38 3.327 -11.356 -7.135 1.00 0.00 C ATOM 557 O LEU A 38 3.153 -10.794 -6.049 1.00 0.00 O ATOM 558 CB LEU A 38 1.375 -11.400 -8.805 1.00 0.00 C ATOM 559 CG LEU A 38 1.038 -12.195 -10.084 1.00 0.00 C ATOM 560 CD1 LEU A 38 -0.039 -13.259 -9.867 1.00 0.00 C ATOM 561 CD2 LEU A 38 0.542 -11.249 -11.180 1.00 0.00 C ATOM 0 H LEU A 38 0.811 -11.943 -6.206 1.00 0.00 H new ATOM 0 HA LEU A 38 2.657 -13.045 -8.247 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.446 -11.055 -8.350 1.00 0.00 H new ATOM 0 HB3 LEU A 38 1.943 -10.512 -9.082 1.00 0.00 H new ATOM 0 HG LEU A 38 1.962 -12.694 -10.374 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.229 -13.781 -10.805 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.301 -13.973 -9.116 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -0.958 -12.782 -9.525 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.308 -11.822 -12.077 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -0.353 -10.731 -10.836 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.318 -10.519 -11.409 1.00 0.00 H new ATOM 573 N PRO A 39 4.502 -11.274 -7.794 1.00 0.00 N ATOM 574 CA PRO A 39 5.705 -10.624 -7.260 1.00 0.00 C ATOM 575 C PRO A 39 5.614 -9.082 -7.187 1.00 0.00 C ATOM 576 O PRO A 39 4.800 -8.463 -7.883 1.00 0.00 O ATOM 577 CB PRO A 39 6.840 -11.072 -8.195 1.00 0.00 C ATOM 578 CG PRO A 39 6.137 -11.294 -9.531 1.00 0.00 C ATOM 579 CD PRO A 39 4.794 -11.870 -9.093 1.00 0.00 C ATOM 0 HA PRO A 39 5.862 -10.919 -6.222 1.00 0.00 H new ATOM 0 HB2 PRO A 39 7.619 -10.313 -8.273 1.00 0.00 H new ATOM 0 HB3 PRO A 39 7.318 -11.984 -7.837 1.00 0.00 H new ATOM 0 HG2 PRO A 39 6.020 -10.365 -10.089 1.00 0.00 H new ATOM 0 HG3 PRO A 39 6.687 -11.984 -10.171 1.00 0.00 H new ATOM 0 HD2 PRO A 39 4.013 -11.631 -9.815 1.00 0.00 H new ATOM 0 HD3 PRO A 39 4.841 -12.957 -9.021 1.00 0.00 H new ATOM 587 N PRO A 40 6.509 -8.422 -6.420 1.00 0.00 N ATOM 588 CA PRO A 40 6.592 -6.957 -6.359 1.00 0.00 C ATOM 589 C PRO A 40 7.010 -6.295 -7.690 1.00 0.00 C ATOM 590 O PRO A 40 6.837 -5.089 -7.867 1.00 0.00 O ATOM 591 CB PRO A 40 7.591 -6.658 -5.236 1.00 0.00 C ATOM 592 CG PRO A 40 8.497 -7.886 -5.235 1.00 0.00 C ATOM 593 CD PRO A 40 7.525 -9.017 -5.560 1.00 0.00 C ATOM 0 HA PRO A 40 5.607 -6.532 -6.165 1.00 0.00 H new ATOM 0 HB2 PRO A 40 8.153 -5.744 -5.430 1.00 0.00 H new ATOM 0 HB3 PRO A 40 7.090 -6.527 -4.277 1.00 0.00 H new ATOM 0 HG2 PRO A 40 9.289 -7.806 -5.979 1.00 0.00 H new ATOM 0 HG3 PRO A 40 8.981 -8.032 -4.269 1.00 0.00 H new ATOM 0 HD2 PRO A 40 8.034 -9.839 -6.064 1.00 0.00 H new ATOM 0 HD3 PRO A 40 7.081 -9.426 -4.652 1.00 0.00 H new ATOM 601 N ASP A 41 7.535 -7.067 -8.650 1.00 0.00 N ATOM 602 CA ASP A 41 7.813 -6.612 -10.023 1.00 0.00 C ATOM 603 C ASP A 41 6.535 -6.321 -10.838 1.00 0.00 C ATOM 604 O ASP A 41 6.562 -5.488 -11.748 1.00 0.00 O ATOM 605 CB ASP A 41 8.664 -7.669 -10.748 1.00 0.00 C ATOM 606 CG ASP A 41 10.032 -7.932 -10.097 1.00 0.00 C ATOM 607 OD1 ASP A 41 10.666 -6.986 -9.569 1.00 0.00 O ATOM 608 OD2 ASP A 41 10.500 -9.094 -10.140 1.00 0.00 O ATOM 0 H ASP A 41 7.784 -8.044 -8.494 1.00 0.00 H new ATOM 0 HA ASP A 41 8.354 -5.669 -9.945 1.00 0.00 H new ATOM 0 HB2 ASP A 41 8.106 -8.605 -10.786 1.00 0.00 H new ATOM 0 HB3 ASP A 41 8.820 -7.349 -11.778 1.00 0.00 H new ATOM 613 N THR A 42 5.415 -6.978 -10.510 1.00 0.00 N ATOM 614 CA THR A 42 4.104 -6.805 -11.171 1.00 0.00 C ATOM 615 C THR A 42 3.070 -6.087 -10.301 1.00 0.00 C ATOM 616 O THR A 42 2.128 -5.510 -10.844 1.00 0.00 O ATOM 617 CB THR A 42 3.532 -8.157 -11.629 1.00 0.00 C ATOM 618 OG1 THR A 42 3.513 -9.092 -10.575 1.00 0.00 O ATOM 619 CG2 THR A 42 4.358 -8.773 -12.757 1.00 0.00 C ATOM 0 H THR A 42 5.390 -7.665 -9.757 1.00 0.00 H new ATOM 0 HA THR A 42 4.298 -6.170 -12.036 1.00 0.00 H new ATOM 0 HB THR A 42 2.520 -7.946 -11.975 1.00 0.00 H new ATOM 0 HG1 THR A 42 2.957 -8.750 -9.844 1.00 0.00 H new ATOM 0 HG21 THR A 42 3.919 -9.727 -13.050 1.00 0.00 H new ATOM 0 HG22 THR A 42 4.365 -8.098 -13.613 1.00 0.00 H new ATOM 0 HG23 THR A 42 5.380 -8.934 -12.414 1.00 0.00 H new ATOM 627 N THR A 43 3.235 -6.074 -8.975 1.00 0.00 N ATOM 628 CA THR A 43 2.282 -5.465 -8.028 1.00 0.00 C ATOM 629 C THR A 43 2.990 -4.467 -7.106 1.00 0.00 C ATOM 630 O THR A 43 3.978 -4.815 -6.459 1.00 0.00 O ATOM 631 CB THR A 43 1.555 -6.546 -7.212 1.00 0.00 C ATOM 632 OG1 THR A 43 0.989 -7.518 -8.070 1.00 0.00 O ATOM 633 CG2 THR A 43 0.405 -5.961 -6.394 1.00 0.00 C ATOM 0 H THR A 43 4.045 -6.491 -8.517 1.00 0.00 H new ATOM 0 HA THR A 43 1.535 -4.919 -8.605 1.00 0.00 H new ATOM 0 HB THR A 43 2.302 -6.985 -6.551 1.00 0.00 H new ATOM 0 HG1 THR A 43 0.531 -8.200 -7.535 1.00 0.00 H new ATOM 0 HG21 THR A 43 -0.083 -6.757 -5.832 1.00 0.00 H new ATOM 0 HG22 THR A 43 0.794 -5.214 -5.702 1.00 0.00 H new ATOM 0 HG23 THR A 43 -0.317 -5.494 -7.064 1.00 0.00 H new ATOM 641 N ARG A 44 2.501 -3.221 -7.037 1.00 0.00 N ATOM 642 CA ARG A 44 3.184 -2.079 -6.388 1.00 0.00 C ATOM 643 C ARG A 44 2.227 -1.144 -5.640 1.00 0.00 C ATOM 644 O ARG A 44 1.012 -1.208 -5.826 1.00 0.00 O ATOM 645 CB ARG A 44 4.049 -1.342 -7.434 1.00 0.00 C ATOM 646 CG ARG A 44 3.229 -0.615 -8.512 1.00 0.00 C ATOM 647 CD ARG A 44 4.142 0.015 -9.570 1.00 0.00 C ATOM 648 NE ARG A 44 3.367 0.824 -10.536 1.00 0.00 N ATOM 649 CZ ARG A 44 3.169 2.132 -10.510 1.00 0.00 C ATOM 650 NH1 ARG A 44 3.662 2.895 -9.576 1.00 0.00 N ATOM 651 NH2 ARG A 44 2.457 2.711 -11.433 1.00 0.00 N ATOM 0 H ARG A 44 1.598 -2.967 -7.439 1.00 0.00 H new ATOM 0 HA ARG A 44 3.837 -2.471 -5.608 1.00 0.00 H new ATOM 0 HB2 ARG A 44 4.683 -0.618 -6.923 1.00 0.00 H new ATOM 0 HB3 ARG A 44 4.711 -2.061 -7.917 1.00 0.00 H new ATOM 0 HG2 ARG A 44 2.546 -1.318 -8.989 1.00 0.00 H new ATOM 0 HG3 ARG A 44 2.618 0.159 -8.048 1.00 0.00 H new ATOM 0 HD2 ARG A 44 4.888 0.643 -9.082 1.00 0.00 H new ATOM 0 HD3 ARG A 44 4.683 -0.769 -10.100 1.00 0.00 H new ATOM 0 HE ARG A 44 2.937 0.316 -11.309 1.00 0.00 H new ATOM 0 HH11 ARG A 44 4.224 2.488 -8.829 1.00 0.00 H new ATOM 0 HH12 ARG A 44 3.486 3.900 -9.592 1.00 0.00 H new ATOM 0 HH21 ARG A 44 2.047 2.156 -12.184 1.00 0.00 H new ATOM 0 HH22 ARG A 44 2.309 3.720 -11.405 1.00 0.00 H new ATOM 665 N LEU A 45 2.786 -0.267 -4.805 1.00 0.00 N ATOM 666 CA LEU A 45 2.067 0.626 -3.887 1.00 0.00 C ATOM 667 C LEU A 45 2.670 2.043 -3.899 1.00 0.00 C ATOM 668 O LEU A 45 3.894 2.198 -3.925 1.00 0.00 O ATOM 669 CB LEU A 45 2.113 -0.013 -2.483 1.00 0.00 C ATOM 670 CG LEU A 45 1.345 0.743 -1.383 1.00 0.00 C ATOM 671 CD1 LEU A 45 -0.168 0.601 -1.553 1.00 0.00 C ATOM 672 CD2 LEU A 45 1.722 0.167 -0.021 1.00 0.00 C ATOM 0 H LEU A 45 3.798 -0.152 -4.745 1.00 0.00 H new ATOM 0 HA LEU A 45 1.030 0.742 -4.202 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.713 -1.025 -2.551 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.156 -0.102 -2.178 1.00 0.00 H new ATOM 0 HG LEU A 45 1.612 1.797 -1.456 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.676 1.148 -0.759 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.465 1.007 -2.520 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.443 -0.453 -1.502 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.181 0.699 0.761 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.461 -0.891 0.012 1.00 0.00 H new ATOM 0 HD23 LEU A 45 2.794 0.281 0.138 1.00 0.00 H new ATOM 684 N THR A 46 1.821 3.073 -3.848 1.00 0.00 N ATOM 685 CA THR A 46 2.211 4.498 -3.840 1.00 0.00 C ATOM 686 C THR A 46 1.403 5.330 -2.832 1.00 0.00 C ATOM 687 O THR A 46 0.295 4.961 -2.430 1.00 0.00 O ATOM 688 CB THR A 46 2.121 5.130 -5.243 1.00 0.00 C ATOM 689 OG1 THR A 46 0.800 5.096 -5.735 1.00 0.00 O ATOM 690 CG2 THR A 46 3.025 4.459 -6.279 1.00 0.00 C ATOM 0 H THR A 46 0.810 2.941 -3.810 1.00 0.00 H new ATOM 0 HA THR A 46 3.253 4.514 -3.521 1.00 0.00 H new ATOM 0 HB THR A 46 2.459 6.157 -5.107 1.00 0.00 H new ATOM 0 HG1 THR A 46 0.772 5.505 -6.625 1.00 0.00 H new ATOM 0 HG21 THR A 46 2.908 4.957 -7.241 1.00 0.00 H new ATOM 0 HG22 THR A 46 4.064 4.531 -5.957 1.00 0.00 H new ATOM 0 HG23 THR A 46 2.748 3.409 -6.378 1.00 0.00 H new ATOM 698 N TYR A 47 1.984 6.457 -2.414 1.00 0.00 N ATOM 699 CA TYR A 47 1.505 7.375 -1.375 1.00 0.00 C ATOM 700 C TYR A 47 2.017 8.798 -1.649 1.00 0.00 C ATOM 701 O TYR A 47 3.209 8.992 -1.903 1.00 0.00 O ATOM 702 CB TYR A 47 2.031 6.880 -0.021 1.00 0.00 C ATOM 703 CG TYR A 47 1.910 7.859 1.131 1.00 0.00 C ATOM 704 CD1 TYR A 47 0.746 7.885 1.918 1.00 0.00 C ATOM 705 CD2 TYR A 47 2.984 8.722 1.434 1.00 0.00 C ATOM 706 CE1 TYR A 47 0.657 8.767 3.009 1.00 0.00 C ATOM 707 CE2 TYR A 47 2.892 9.617 2.517 1.00 0.00 C ATOM 708 CZ TYR A 47 1.714 9.652 3.298 1.00 0.00 C ATOM 709 OH TYR A 47 1.585 10.542 4.316 1.00 0.00 O ATOM 0 H TYR A 47 2.864 6.775 -2.821 1.00 0.00 H new ATOM 0 HA TYR A 47 0.415 7.399 -1.370 1.00 0.00 H new ATOM 0 HB2 TYR A 47 1.496 5.968 0.244 1.00 0.00 H new ATOM 0 HB3 TYR A 47 3.081 6.612 -0.136 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -0.079 7.228 1.685 1.00 0.00 H new ATOM 0 HD2 TYR A 47 3.881 8.696 0.833 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -0.227 8.766 3.629 1.00 0.00 H new ATOM 0 HE2 TYR A 47 3.717 10.274 2.750 1.00 0.00 H new ATOM 0 HH TYR A 47 0.687 10.471 4.701 1.00 0.00 H new ATOM 719 N LYS A 48 1.128 9.801 -1.590 1.00 0.00 N ATOM 720 CA LYS A 48 1.451 11.241 -1.715 1.00 0.00 C ATOM 721 C LYS A 48 2.341 11.569 -2.940 1.00 0.00 C ATOM 722 O LYS A 48 3.278 12.363 -2.862 1.00 0.00 O ATOM 723 CB LYS A 48 1.978 11.751 -0.350 1.00 0.00 C ATOM 724 CG LYS A 48 1.488 13.153 0.061 1.00 0.00 C ATOM 725 CD LYS A 48 2.017 14.344 -0.752 1.00 0.00 C ATOM 726 CE LYS A 48 3.536 14.507 -0.603 1.00 0.00 C ATOM 727 NZ LYS A 48 4.041 15.662 -1.391 1.00 0.00 N ATOM 0 H LYS A 48 0.132 9.633 -1.450 1.00 0.00 H new ATOM 0 HA LYS A 48 0.545 11.802 -1.942 1.00 0.00 H new ATOM 0 HB2 LYS A 48 1.685 11.040 0.423 1.00 0.00 H new ATOM 0 HB3 LYS A 48 3.068 11.759 -0.379 1.00 0.00 H new ATOM 0 HG2 LYS A 48 0.400 13.161 0.004 1.00 0.00 H new ATOM 0 HG3 LYS A 48 1.754 13.312 1.106 1.00 0.00 H new ATOM 0 HD2 LYS A 48 1.768 14.205 -1.804 1.00 0.00 H new ATOM 0 HD3 LYS A 48 1.520 15.257 -0.425 1.00 0.00 H new ATOM 0 HE2 LYS A 48 3.786 14.646 0.449 1.00 0.00 H new ATOM 0 HE3 LYS A 48 4.035 13.595 -0.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 5.070 15.743 -1.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 3.823 15.517 -2.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 3.583 16.535 -1.060 1.00 0.00 H new ATOM 741 N GLY A 49 2.069 10.915 -4.074 1.00 0.00 N ATOM 742 CA GLY A 49 2.789 11.090 -5.347 1.00 0.00 C ATOM 743 C GLY A 49 4.143 10.367 -5.471 1.00 0.00 C ATOM 744 O GLY A 49 4.861 10.608 -6.446 1.00 0.00 O ATOM 0 H GLY A 49 1.319 10.227 -4.137 1.00 0.00 H new ATOM 0 HA2 GLY A 49 2.143 10.747 -6.155 1.00 0.00 H new ATOM 0 HA3 GLY A 49 2.955 12.156 -5.502 1.00 0.00 H new ATOM 748 N ARG A 50 4.510 9.493 -4.518 1.00 0.00 N ATOM 749 CA ARG A 50 5.787 8.747 -4.476 1.00 0.00 C ATOM 750 C ARG A 50 5.591 7.258 -4.154 1.00 0.00 C ATOM 751 O ARG A 50 4.569 6.860 -3.594 1.00 0.00 O ATOM 752 CB ARG A 50 6.741 9.392 -3.446 1.00 0.00 C ATOM 753 CG ARG A 50 7.122 10.842 -3.792 1.00 0.00 C ATOM 754 CD ARG A 50 8.219 11.391 -2.870 1.00 0.00 C ATOM 755 NE ARG A 50 7.764 11.525 -1.470 1.00 0.00 N ATOM 756 CZ ARG A 50 8.495 11.920 -0.441 1.00 0.00 C ATOM 757 NH1 ARG A 50 9.751 12.247 -0.566 1.00 0.00 N ATOM 758 NH2 ARG A 50 7.974 11.999 0.750 1.00 0.00 N ATOM 0 H ARG A 50 3.906 9.276 -3.725 1.00 0.00 H new ATOM 0 HA ARG A 50 6.226 8.803 -5.472 1.00 0.00 H new ATOM 0 HB2 ARG A 50 6.270 9.372 -2.463 1.00 0.00 H new ATOM 0 HB3 ARG A 50 7.648 8.792 -3.377 1.00 0.00 H new ATOM 0 HG2 ARG A 50 7.463 10.889 -4.826 1.00 0.00 H new ATOM 0 HG3 ARG A 50 6.238 11.475 -3.718 1.00 0.00 H new ATOM 0 HD2 ARG A 50 9.085 10.730 -2.906 1.00 0.00 H new ATOM 0 HD3 ARG A 50 8.546 12.364 -3.238 1.00 0.00 H new ATOM 0 HE ARG A 50 6.790 11.290 -1.279 1.00 0.00 H new ATOM 0 HH11 ARG A 50 10.201 12.203 -1.480 1.00 0.00 H new ATOM 0 HH12 ARG A 50 10.284 12.547 0.251 1.00 0.00 H new ATOM 0 HH21 ARG A 50 6.994 11.755 0.895 1.00 0.00 H new ATOM 0 HH22 ARG A 50 8.546 12.305 1.537 1.00 0.00 H new ATOM 772 N ALA A 51 6.588 6.434 -4.472 1.00 0.00 N ATOM 773 CA ALA A 51 6.751 5.102 -3.880 1.00 0.00 C ATOM 774 C ALA A 51 7.363 5.200 -2.464 1.00 0.00 C ATOM 775 O ALA A 51 8.072 6.163 -2.154 1.00 0.00 O ATOM 776 CB ALA A 51 7.614 4.245 -4.815 1.00 0.00 C ATOM 0 H ALA A 51 7.311 6.671 -5.151 1.00 0.00 H new ATOM 0 HA ALA A 51 5.776 4.627 -3.768 1.00 0.00 H new ATOM 0 HB1 ALA A 51 7.742 3.252 -4.384 1.00 0.00 H new ATOM 0 HB2 ALA A 51 7.125 4.159 -5.785 1.00 0.00 H new ATOM 0 HB3 ALA A 51 8.590 4.714 -4.941 1.00 0.00 H new ATOM 782 N LEU A 52 7.123 4.195 -1.614 1.00 0.00 N ATOM 783 CA LEU A 52 7.713 4.079 -0.271 1.00 0.00 C ATOM 784 C LEU A 52 8.602 2.829 -0.164 1.00 0.00 C ATOM 785 O LEU A 52 8.194 1.740 -0.577 1.00 0.00 O ATOM 786 CB LEU A 52 6.610 4.057 0.801 1.00 0.00 C ATOM 787 CG LEU A 52 5.688 5.287 0.863 1.00 0.00 C ATOM 788 CD1 LEU A 52 4.606 5.031 1.915 1.00 0.00 C ATOM 789 CD2 LEU A 52 6.453 6.553 1.249 1.00 0.00 C ATOM 0 H LEU A 52 6.499 3.421 -1.844 1.00 0.00 H new ATOM 0 HA LEU A 52 8.343 4.952 -0.100 1.00 0.00 H new ATOM 0 HB2 LEU A 52 5.991 3.175 0.636 1.00 0.00 H new ATOM 0 HB3 LEU A 52 7.084 3.936 1.775 1.00 0.00 H new ATOM 0 HG LEU A 52 5.256 5.439 -0.126 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.943 5.894 1.972 1.00 0.00 H new ATOM 0 HD12 LEU A 52 4.030 4.148 1.637 1.00 0.00 H new ATOM 0 HD13 LEU A 52 5.074 4.868 2.886 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.765 7.398 1.281 1.00 0.00 H new ATOM 0 HD22 LEU A 52 6.908 6.418 2.230 1.00 0.00 H new ATOM 0 HD23 LEU A 52 7.232 6.747 0.511 1.00 0.00 H new ATOM 801 N LYS A 53 9.808 2.977 0.400 1.00 0.00 N ATOM 802 CA LYS A 53 10.817 1.907 0.531 1.00 0.00 C ATOM 803 C LYS A 53 11.777 2.181 1.701 1.00 0.00 C ATOM 804 O LYS A 53 12.165 3.327 1.922 1.00 0.00 O ATOM 805 CB LYS A 53 11.595 1.796 -0.800 1.00 0.00 C ATOM 806 CG LYS A 53 12.257 0.425 -1.045 1.00 0.00 C ATOM 807 CD LYS A 53 11.494 -0.448 -2.060 1.00 0.00 C ATOM 808 CE LYS A 53 10.078 -0.854 -1.626 1.00 0.00 C ATOM 809 NZ LYS A 53 10.087 -1.942 -0.611 1.00 0.00 N ATOM 0 H LYS A 53 10.121 3.866 0.789 1.00 0.00 H new ATOM 0 HA LYS A 53 10.313 0.964 0.745 1.00 0.00 H new ATOM 0 HB2 LYS A 53 10.912 2.007 -1.623 1.00 0.00 H new ATOM 0 HB3 LYS A 53 12.366 2.566 -0.820 1.00 0.00 H new ATOM 0 HG2 LYS A 53 13.275 0.580 -1.402 1.00 0.00 H new ATOM 0 HG3 LYS A 53 12.329 -0.110 -0.098 1.00 0.00 H new ATOM 0 HD2 LYS A 53 11.428 0.092 -3.005 1.00 0.00 H new ATOM 0 HD3 LYS A 53 12.074 -1.352 -2.249 1.00 0.00 H new ATOM 0 HE2 LYS A 53 9.562 0.015 -1.218 1.00 0.00 H new ATOM 0 HE3 LYS A 53 9.512 -1.180 -2.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 9.109 -2.181 -0.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 10.555 -2.782 -1.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 10.603 -1.624 0.234 1.00 0.00 H new ATOM 823 N ASP A 54 12.166 1.132 2.432 1.00 0.00 N ATOM 824 CA ASP A 54 13.163 1.161 3.523 1.00 0.00 C ATOM 825 C ASP A 54 12.864 2.185 4.651 1.00 0.00 C ATOM 826 O ASP A 54 13.768 2.803 5.219 1.00 0.00 O ATOM 827 CB ASP A 54 14.580 1.281 2.921 1.00 0.00 C ATOM 828 CG ASP A 54 15.720 0.900 3.888 1.00 0.00 C ATOM 829 OD1 ASP A 54 15.498 0.121 4.847 1.00 0.00 O ATOM 830 OD2 ASP A 54 16.873 1.339 3.651 1.00 0.00 O ATOM 0 H ASP A 54 11.784 0.199 2.279 1.00 0.00 H new ATOM 0 HA ASP A 54 13.096 0.211 4.054 1.00 0.00 H new ATOM 0 HB2 ASP A 54 14.641 0.644 2.038 1.00 0.00 H new ATOM 0 HB3 ASP A 54 14.733 2.307 2.585 1.00 0.00 H new ATOM 835 N THR A 55 11.578 2.413 4.950 1.00 0.00 N ATOM 836 CA THR A 55 11.104 3.478 5.862 1.00 0.00 C ATOM 837 C THR A 55 11.154 3.084 7.346 1.00 0.00 C ATOM 838 O THR A 55 11.327 3.947 8.205 1.00 0.00 O ATOM 839 CB THR A 55 9.670 3.904 5.495 1.00 0.00 C ATOM 840 OG1 THR A 55 8.761 2.854 5.745 1.00 0.00 O ATOM 841 CG2 THR A 55 9.524 4.265 4.015 1.00 0.00 C ATOM 0 H THR A 55 10.819 1.855 4.560 1.00 0.00 H new ATOM 0 HA THR A 55 11.793 4.312 5.729 1.00 0.00 H new ATOM 0 HB THR A 55 9.457 4.778 6.110 1.00 0.00 H new ATOM 0 HG1 THR A 55 7.854 3.217 5.820 1.00 0.00 H new ATOM 0 HG21 THR A 55 8.494 4.558 3.812 1.00 0.00 H new ATOM 0 HG22 THR A 55 10.191 5.093 3.775 1.00 0.00 H new ATOM 0 HG23 THR A 55 9.783 3.401 3.403 1.00 0.00 H new ATOM 849 N GLU A 56 11.006 1.787 7.648 1.00 0.00 N ATOM 850 CA GLU A 56 11.003 1.132 8.975 1.00 0.00 C ATOM 851 C GLU A 56 9.892 1.562 9.970 1.00 0.00 C ATOM 852 O GLU A 56 9.505 0.765 10.825 1.00 0.00 O ATOM 853 CB GLU A 56 12.429 1.169 9.564 1.00 0.00 C ATOM 854 CG GLU A 56 12.692 0.148 10.688 1.00 0.00 C ATOM 855 CD GLU A 56 12.475 0.674 12.124 1.00 0.00 C ATOM 856 OE1 GLU A 56 12.785 1.856 12.413 1.00 0.00 O ATOM 857 OE2 GLU A 56 12.070 -0.125 13.004 1.00 0.00 O ATOM 0 H GLU A 56 10.873 1.101 6.905 1.00 0.00 H new ATOM 0 HA GLU A 56 10.710 0.097 8.800 1.00 0.00 H new ATOM 0 HB2 GLU A 56 13.144 0.994 8.760 1.00 0.00 H new ATOM 0 HB3 GLU A 56 12.622 2.170 9.950 1.00 0.00 H new ATOM 0 HG2 GLU A 56 12.043 -0.713 10.533 1.00 0.00 H new ATOM 0 HG3 GLU A 56 13.719 -0.207 10.600 1.00 0.00 H new ATOM 864 N THR A 57 9.313 2.760 9.827 1.00 0.00 N ATOM 865 CA THR A 57 8.127 3.264 10.555 1.00 0.00 C ATOM 866 C THR A 57 7.317 4.238 9.691 1.00 0.00 C ATOM 867 O THR A 57 7.843 4.825 8.739 1.00 0.00 O ATOM 868 CB THR A 57 8.502 4.008 11.855 1.00 0.00 C ATOM 869 OG1 THR A 57 9.322 5.123 11.572 1.00 0.00 O ATOM 870 CG2 THR A 57 9.204 3.161 12.912 1.00 0.00 C ATOM 0 H THR A 57 9.674 3.447 9.165 1.00 0.00 H new ATOM 0 HA THR A 57 7.539 2.379 10.798 1.00 0.00 H new ATOM 0 HB THR A 57 7.542 4.306 12.276 1.00 0.00 H new ATOM 0 HG1 THR A 57 9.548 5.583 12.407 1.00 0.00 H new ATOM 0 HG21 THR A 57 9.424 3.776 13.784 1.00 0.00 H new ATOM 0 HG22 THR A 57 8.557 2.335 13.205 1.00 0.00 H new ATOM 0 HG23 THR A 57 10.134 2.766 12.503 1.00 0.00 H new ATOM 878 N LEU A 58 6.049 4.477 10.053 1.00 0.00 N ATOM 879 CA LEU A 58 5.279 5.621 9.538 1.00 0.00 C ATOM 880 C LEU A 58 5.670 6.951 10.214 1.00 0.00 C ATOM 881 O LEU A 58 5.463 8.023 9.644 1.00 0.00 O ATOM 882 CB LEU A 58 3.771 5.360 9.695 1.00 0.00 C ATOM 883 CG LEU A 58 3.222 4.088 9.020 1.00 0.00 C ATOM 884 CD1 LEU A 58 1.702 4.043 9.193 1.00 0.00 C ATOM 885 CD2 LEU A 58 3.521 4.047 7.518 1.00 0.00 C ATOM 0 H LEU A 58 5.530 3.889 10.705 1.00 0.00 H new ATOM 0 HA LEU A 58 5.521 5.721 8.480 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.542 5.308 10.759 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.232 6.219 9.295 1.00 0.00 H new ATOM 0 HG LEU A 58 3.711 3.237 9.495 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.308 3.145 8.717 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.457 4.028 10.255 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.257 4.924 8.730 1.00 0.00 H new ATOM 0 HD21 LEU A 58 3.113 3.131 7.091 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.064 4.909 7.032 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.599 4.072 7.361 1.00 0.00 H new ATOM 897 N GLU A 59 6.277 6.903 11.405 1.00 0.00 N ATOM 898 CA GLU A 59 6.775 8.086 12.128 1.00 0.00 C ATOM 899 C GLU A 59 7.901 8.808 11.367 1.00 0.00 C ATOM 900 O GLU A 59 7.939 10.040 11.341 1.00 0.00 O ATOM 901 CB GLU A 59 7.277 7.682 13.524 1.00 0.00 C ATOM 902 CG GLU A 59 6.167 7.102 14.413 1.00 0.00 C ATOM 903 CD GLU A 59 6.607 6.981 15.888 1.00 0.00 C ATOM 904 OE1 GLU A 59 7.755 6.555 16.167 1.00 0.00 O ATOM 905 OE2 GLU A 59 5.794 7.305 16.790 1.00 0.00 O ATOM 0 H GLU A 59 6.440 6.029 11.904 1.00 0.00 H new ATOM 0 HA GLU A 59 5.939 8.779 12.218 1.00 0.00 H new ATOM 0 HB2 GLU A 59 8.074 6.946 13.419 1.00 0.00 H new ATOM 0 HB3 GLU A 59 7.711 8.553 14.015 1.00 0.00 H new ATOM 0 HG2 GLU A 59 5.284 7.737 14.350 1.00 0.00 H new ATOM 0 HG3 GLU A 59 5.880 6.119 14.039 1.00 0.00 H new ATOM 912 N SER A 60 8.772 8.057 10.681 1.00 0.00 N ATOM 913 CA SER A 60 9.827 8.607 9.809 1.00 0.00 C ATOM 914 C SER A 60 9.286 9.256 8.523 1.00 0.00 C ATOM 915 O SER A 60 9.983 10.066 7.906 1.00 0.00 O ATOM 916 CB SER A 60 10.841 7.513 9.449 1.00 0.00 C ATOM 917 OG SER A 60 11.532 7.079 10.611 1.00 0.00 O ATOM 0 H SER A 60 8.767 7.038 10.714 1.00 0.00 H new ATOM 0 HA SER A 60 10.311 9.399 10.380 1.00 0.00 H new ATOM 0 HB2 SER A 60 10.328 6.670 8.987 1.00 0.00 H new ATOM 0 HB3 SER A 60 11.552 7.894 8.716 1.00 0.00 H new ATOM 0 HG SER A 60 10.978 6.435 11.100 1.00 0.00 H new ATOM 923 N LEU A 61 8.048 8.936 8.119 1.00 0.00 N ATOM 924 CA LEU A 61 7.343 9.570 6.992 1.00 0.00 C ATOM 925 C LEU A 61 6.511 10.798 7.402 1.00 0.00 C ATOM 926 O LEU A 61 6.248 11.665 6.565 1.00 0.00 O ATOM 927 CB LEU A 61 6.431 8.531 6.313 1.00 0.00 C ATOM 928 CG LEU A 61 7.164 7.326 5.699 1.00 0.00 C ATOM 929 CD1 LEU A 61 6.127 6.347 5.151 1.00 0.00 C ATOM 930 CD2 LEU A 61 8.094 7.760 4.563 1.00 0.00 C ATOM 0 H LEU A 61 7.495 8.212 8.577 1.00 0.00 H new ATOM 0 HA LEU A 61 8.107 9.929 6.302 1.00 0.00 H new ATOM 0 HB2 LEU A 61 5.713 8.165 7.047 1.00 0.00 H new ATOM 0 HB3 LEU A 61 5.860 9.028 5.529 1.00 0.00 H new ATOM 0 HG LEU A 61 7.769 6.855 6.474 1.00 0.00 H new ATOM 0 HD11 LEU A 61 6.634 5.488 4.713 1.00 0.00 H new ATOM 0 HD12 LEU A 61 5.479 6.012 5.961 1.00 0.00 H new ATOM 0 HD13 LEU A 61 5.527 6.842 4.388 1.00 0.00 H new ATOM 0 HD21 LEU A 61 8.597 6.885 4.150 1.00 0.00 H new ATOM 0 HD22 LEU A 61 7.511 8.246 3.781 1.00 0.00 H new ATOM 0 HD23 LEU A 61 8.837 8.458 4.948 1.00 0.00 H new ATOM 942 N GLY A 62 6.086 10.881 8.667 1.00 0.00 N ATOM 943 CA GLY A 62 5.191 11.935 9.156 1.00 0.00 C ATOM 944 C GLY A 62 3.759 11.813 8.611 1.00 0.00 C ATOM 945 O GLY A 62 3.159 12.819 8.222 1.00 0.00 O ATOM 0 H GLY A 62 6.356 10.212 9.387 1.00 0.00 H new ATOM 0 HA2 GLY A 62 5.163 11.902 10.245 1.00 0.00 H new ATOM 0 HA3 GLY A 62 5.598 12.907 8.877 1.00 0.00 H new ATOM 949 N VAL A 63 3.228 10.583 8.542 1.00 0.00 N ATOM 950 CA VAL A 63 1.866 10.275 8.053 1.00 0.00 C ATOM 951 C VAL A 63 0.781 11.057 8.819 1.00 0.00 C ATOM 952 O VAL A 63 0.940 11.343 10.011 1.00 0.00 O ATOM 953 CB VAL A 63 1.612 8.749 8.102 1.00 0.00 C ATOM 954 CG1 VAL A 63 1.367 8.225 9.525 1.00 0.00 C ATOM 955 CG2 VAL A 63 0.431 8.310 7.229 1.00 0.00 C ATOM 0 H VAL A 63 3.743 9.751 8.831 1.00 0.00 H new ATOM 0 HA VAL A 63 1.803 10.602 7.015 1.00 0.00 H new ATOM 0 HB VAL A 63 2.533 8.318 7.711 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.195 7.149 9.492 1.00 0.00 H new ATOM 0 HG12 VAL A 63 2.239 8.435 10.145 1.00 0.00 H new ATOM 0 HG13 VAL A 63 0.493 8.719 9.949 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.304 7.230 7.306 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -0.477 8.808 7.569 1.00 0.00 H new ATOM 0 HG23 VAL A 63 0.626 8.580 6.191 1.00 0.00 H new ATOM 965 N ALA A 64 -0.332 11.384 8.155 1.00 0.00 N ATOM 966 CA ALA A 64 -1.505 12.010 8.771 1.00 0.00 C ATOM 967 C ALA A 64 -2.729 11.071 8.780 1.00 0.00 C ATOM 968 O ALA A 64 -2.898 10.207 7.914 1.00 0.00 O ATOM 969 CB ALA A 64 -1.792 13.346 8.076 1.00 0.00 C ATOM 0 H ALA A 64 -0.444 11.218 7.155 1.00 0.00 H new ATOM 0 HA ALA A 64 -1.287 12.209 9.820 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -2.664 13.814 8.533 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -0.930 14.004 8.183 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.986 13.171 7.018 1.00 0.00 H new ATOM 975 N ASP A 65 -3.605 11.251 9.770 1.00 0.00 N ATOM 976 CA ASP A 65 -4.854 10.492 9.899 1.00 0.00 C ATOM 977 C ASP A 65 -5.807 10.780 8.718 1.00 0.00 C ATOM 978 O ASP A 65 -6.083 11.941 8.397 1.00 0.00 O ATOM 979 CB ASP A 65 -5.502 10.833 11.252 1.00 0.00 C ATOM 980 CG ASP A 65 -6.700 9.939 11.600 1.00 0.00 C ATOM 981 OD1 ASP A 65 -6.699 8.747 11.224 1.00 0.00 O ATOM 982 OD2 ASP A 65 -7.626 10.421 12.300 1.00 0.00 O ATOM 0 H ASP A 65 -3.467 11.935 10.514 1.00 0.00 H new ATOM 0 HA ASP A 65 -4.638 9.424 9.868 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -4.752 10.744 12.038 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -5.827 11.873 11.238 1.00 0.00 H new ATOM 987 N GLY A 66 -6.306 9.728 8.065 1.00 0.00 N ATOM 988 CA GLY A 66 -7.163 9.804 6.875 1.00 0.00 C ATOM 989 C GLY A 66 -6.430 9.887 5.524 1.00 0.00 C ATOM 990 O GLY A 66 -7.086 10.109 4.504 1.00 0.00 O ATOM 0 H GLY A 66 -6.120 8.769 8.357 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -7.812 8.928 6.861 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -7.808 10.677 6.971 1.00 0.00 H new ATOM 994 N ASP A 67 -5.103 9.712 5.478 1.00 0.00 N ATOM 995 CA ASP A 67 -4.336 9.671 4.219 1.00 0.00 C ATOM 996 C ASP A 67 -4.739 8.507 3.287 1.00 0.00 C ATOM 997 O ASP A 67 -5.175 7.441 3.735 1.00 0.00 O ATOM 998 CB ASP A 67 -2.824 9.598 4.498 1.00 0.00 C ATOM 999 CG ASP A 67 -2.146 10.919 4.908 1.00 0.00 C ATOM 1000 OD1 ASP A 67 -2.755 12.008 4.757 1.00 0.00 O ATOM 1001 OD2 ASP A 67 -0.957 10.866 5.306 1.00 0.00 O ATOM 0 H ASP A 67 -4.527 9.594 6.312 1.00 0.00 H new ATOM 0 HA ASP A 67 -4.578 10.599 3.701 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -2.656 8.866 5.288 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -2.328 9.221 3.604 1.00 0.00 H new ATOM 1006 N LYS A 68 -4.557 8.703 1.972 1.00 0.00 N ATOM 1007 CA LYS A 68 -4.828 7.698 0.929 1.00 0.00 C ATOM 1008 C LYS A 68 -3.570 7.022 0.365 1.00 0.00 C ATOM 1009 O LYS A 68 -2.481 7.600 0.355 1.00 0.00 O ATOM 1010 CB LYS A 68 -5.737 8.271 -0.176 1.00 0.00 C ATOM 1011 CG LYS A 68 -5.106 9.411 -0.998 1.00 0.00 C ATOM 1012 CD LYS A 68 -5.929 9.777 -2.244 1.00 0.00 C ATOM 1013 CE LYS A 68 -7.339 10.275 -1.899 1.00 0.00 C ATOM 1014 NZ LYS A 68 -8.088 10.668 -3.123 1.00 0.00 N ATOM 0 H LYS A 68 -4.209 9.584 1.594 1.00 0.00 H new ATOM 0 HA LYS A 68 -5.371 6.892 1.423 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -6.016 7.464 -0.853 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -6.657 8.636 0.281 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -5.001 10.293 -0.366 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -4.102 9.118 -1.305 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -5.404 10.548 -2.807 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -6.005 8.905 -2.893 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -7.885 9.492 -1.372 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -7.271 11.127 -1.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -9.037 11.000 -2.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -7.578 11.431 -3.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -8.173 9.848 -3.756 1.00 0.00 H new ATOM 1028 N PHE A 69 -3.755 5.803 -0.138 1.00 0.00 N ATOM 1029 CA PHE A 69 -2.743 4.935 -0.751 1.00 0.00 C ATOM 1030 C PHE A 69 -3.309 4.306 -2.033 1.00 0.00 C ATOM 1031 O PHE A 69 -4.485 3.941 -2.068 1.00 0.00 O ATOM 1032 CB PHE A 69 -2.333 3.829 0.239 1.00 0.00 C ATOM 1033 CG PHE A 69 -1.554 4.288 1.461 1.00 0.00 C ATOM 1034 CD1 PHE A 69 -2.213 4.901 2.546 1.00 0.00 C ATOM 1035 CD2 PHE A 69 -0.162 4.079 1.525 1.00 0.00 C ATOM 1036 CE1 PHE A 69 -1.481 5.335 3.665 1.00 0.00 C ATOM 1037 CE2 PHE A 69 0.565 4.488 2.658 1.00 0.00 C ATOM 1038 CZ PHE A 69 -0.093 5.122 3.726 1.00 0.00 C ATOM 0 H PHE A 69 -4.675 5.363 -0.129 1.00 0.00 H new ATOM 0 HA PHE A 69 -1.865 5.530 -1.002 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -3.235 3.318 0.577 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -1.732 3.094 -0.296 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -3.284 5.038 2.517 1.00 0.00 H new ATOM 0 HD2 PHE A 69 0.349 3.603 0.701 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -1.986 5.833 4.479 1.00 0.00 H new ATOM 0 HE2 PHE A 69 1.630 4.315 2.707 1.00 0.00 H new ATOM 0 HZ PHE A 69 0.467 5.445 4.591 1.00 0.00 H new ATOM 1048 N VAL A 70 -2.493 4.136 -3.076 1.00 0.00 N ATOM 1049 CA VAL A 70 -2.919 3.552 -4.365 1.00 0.00 C ATOM 1050 C VAL A 70 -2.084 2.314 -4.689 1.00 0.00 C ATOM 1051 O VAL A 70 -0.853 2.375 -4.690 1.00 0.00 O ATOM 1052 CB VAL A 70 -2.878 4.587 -5.508 1.00 0.00 C ATOM 1053 CG1 VAL A 70 -3.420 3.998 -6.818 1.00 0.00 C ATOM 1054 CG2 VAL A 70 -3.704 5.840 -5.181 1.00 0.00 C ATOM 0 H VAL A 70 -1.508 4.400 -3.057 1.00 0.00 H new ATOM 0 HA VAL A 70 -3.960 3.243 -4.267 1.00 0.00 H new ATOM 0 HB VAL A 70 -1.829 4.860 -5.623 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -3.377 4.754 -7.602 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -2.815 3.139 -7.108 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -4.453 3.682 -6.675 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -3.646 6.541 -6.014 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -4.744 5.557 -5.016 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -3.309 6.312 -4.281 1.00 0.00 H new ATOM 1064 N LEU A 71 -2.756 1.191 -4.955 1.00 0.00 N ATOM 1065 CA LEU A 71 -2.159 -0.121 -5.223 1.00 0.00 C ATOM 1066 C LEU A 71 -2.406 -0.498 -6.693 1.00 0.00 C ATOM 1067 O LEU A 71 -3.552 -0.552 -7.140 1.00 0.00 O ATOM 1068 CB LEU A 71 -2.736 -1.117 -4.194 1.00 0.00 C ATOM 1069 CG LEU A 71 -2.155 -2.545 -4.148 1.00 0.00 C ATOM 1070 CD1 LEU A 71 -2.877 -3.297 -3.028 1.00 0.00 C ATOM 1071 CD2 LEU A 71 -2.341 -3.372 -5.423 1.00 0.00 C ATOM 0 H LEU A 71 -3.775 1.170 -4.991 1.00 0.00 H new ATOM 0 HA LEU A 71 -1.076 -0.126 -5.100 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.616 -0.678 -3.204 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -3.807 -1.200 -4.378 1.00 0.00 H new ATOM 0 HG LEU A 71 -1.081 -2.428 -4.003 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -2.491 -4.314 -2.965 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -2.709 -2.786 -2.080 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -3.946 -3.327 -3.240 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -1.897 -4.358 -5.285 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -3.405 -3.479 -5.635 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -1.854 -2.868 -6.258 1.00 0.00 H new ATOM 1083 N ILE A 72 -1.332 -0.749 -7.443 1.00 0.00 N ATOM 1084 CA ILE A 72 -1.339 -1.026 -8.888 1.00 0.00 C ATOM 1085 C ILE A 72 -0.887 -2.472 -9.150 1.00 0.00 C ATOM 1086 O ILE A 72 0.011 -2.975 -8.474 1.00 0.00 O ATOM 1087 CB ILE A 72 -0.482 0.018 -9.648 1.00 0.00 C ATOM 1088 CG1 ILE A 72 -0.933 1.475 -9.365 1.00 0.00 C ATOM 1089 CG2 ILE A 72 -0.525 -0.232 -11.168 1.00 0.00 C ATOM 1090 CD1 ILE A 72 -0.122 2.160 -8.255 1.00 0.00 C ATOM 0 H ILE A 72 -0.392 -0.767 -7.048 1.00 0.00 H new ATOM 0 HA ILE A 72 -2.355 -0.932 -9.271 1.00 0.00 H new ATOM 0 HB ILE A 72 0.537 -0.103 -9.281 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -0.846 2.059 -10.281 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -1.987 1.474 -9.087 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.085 0.515 -11.677 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -0.136 -1.227 -11.384 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -1.554 -0.161 -11.519 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -0.490 3.176 -8.109 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -0.229 1.598 -7.327 1.00 0.00 H new ATOM 0 HD13 ILE A 72 0.930 2.193 -8.540 1.00 0.00 H new ATOM 1102 N THR A 73 -1.492 -3.140 -10.137 1.00 0.00 N ATOM 1103 CA THR A 73 -1.224 -4.545 -10.499 1.00 0.00 C ATOM 1104 C THR A 73 -1.136 -4.742 -12.020 1.00 0.00 C ATOM 1105 O THR A 73 -1.754 -3.999 -12.790 1.00 0.00 O ATOM 1106 CB THR A 73 -2.258 -5.482 -9.845 1.00 0.00 C ATOM 1107 OG1 THR A 73 -1.955 -6.824 -10.153 1.00 0.00 O ATOM 1108 CG2 THR A 73 -3.702 -5.232 -10.291 1.00 0.00 C ATOM 0 H THR A 73 -2.204 -2.710 -10.727 1.00 0.00 H new ATOM 0 HA THR A 73 -0.244 -4.811 -10.104 1.00 0.00 H new ATOM 0 HB THR A 73 -2.193 -5.275 -8.777 1.00 0.00 H new ATOM 0 HG1 THR A 73 -2.615 -7.413 -9.732 1.00 0.00 H new ATOM 0 HG21 THR A 73 -4.366 -5.933 -9.785 1.00 0.00 H new ATOM 0 HG22 THR A 73 -3.990 -4.212 -10.037 1.00 0.00 H new ATOM 0 HG23 THR A 73 -3.779 -5.373 -11.369 1.00 0.00 H new ATOM 1116 N ARG A 74 -0.345 -5.732 -12.459 1.00 0.00 N ATOM 1117 CA ARG A 74 -0.043 -6.061 -13.865 1.00 0.00 C ATOM 1118 C ARG A 74 -0.311 -7.547 -14.129 1.00 0.00 C ATOM 1119 O ARG A 74 0.458 -8.410 -13.701 1.00 0.00 O ATOM 1120 CB ARG A 74 1.426 -5.697 -14.182 1.00 0.00 C ATOM 1121 CG ARG A 74 1.783 -4.207 -14.039 1.00 0.00 C ATOM 1122 CD ARG A 74 1.177 -3.350 -15.160 1.00 0.00 C ATOM 1123 NE ARG A 74 1.511 -1.917 -15.013 1.00 0.00 N ATOM 1124 CZ ARG A 74 2.660 -1.321 -15.290 1.00 0.00 C ATOM 1125 NH1 ARG A 74 3.710 -1.970 -15.706 1.00 0.00 N ATOM 1126 NH2 ARG A 74 2.776 -0.030 -15.153 1.00 0.00 N ATOM 0 H ARG A 74 0.128 -6.360 -11.810 1.00 0.00 H new ATOM 0 HA ARG A 74 -0.692 -5.480 -14.520 1.00 0.00 H new ATOM 0 HB2 ARG A 74 2.076 -6.274 -13.523 1.00 0.00 H new ATOM 0 HB3 ARG A 74 1.648 -6.010 -15.202 1.00 0.00 H new ATOM 0 HG2 ARG A 74 1.429 -3.842 -13.075 1.00 0.00 H new ATOM 0 HG3 ARG A 74 2.867 -4.094 -14.044 1.00 0.00 H new ATOM 0 HD2 ARG A 74 1.538 -3.708 -16.124 1.00 0.00 H new ATOM 0 HD3 ARG A 74 0.094 -3.470 -15.161 1.00 0.00 H new ATOM 0 HE ARG A 74 0.768 -1.317 -14.656 1.00 0.00 H new ATOM 0 HH11 ARG A 74 3.668 -2.981 -15.831 1.00 0.00 H new ATOM 0 HH12 ARG A 74 4.574 -1.467 -15.907 1.00 0.00 H new ATOM 0 HH21 ARG A 74 1.981 0.522 -14.832 1.00 0.00 H new ATOM 0 HH22 ARG A 74 3.662 0.428 -15.367 1.00 0.00 H new ATOM 1140 N THR A 75 -1.393 -7.852 -14.845 1.00 0.00 N ATOM 1141 CA THR A 75 -1.803 -9.226 -15.199 1.00 0.00 C ATOM 1142 C THR A 75 -0.968 -9.760 -16.375 1.00 0.00 C ATOM 1143 O THR A 75 -1.414 -9.787 -17.524 1.00 0.00 O ATOM 1144 CB THR A 75 -3.319 -9.291 -15.487 1.00 0.00 C ATOM 1145 OG1 THR A 75 -4.049 -8.673 -14.443 1.00 0.00 O ATOM 1146 CG2 THR A 75 -3.841 -10.726 -15.604 1.00 0.00 C ATOM 0 H THR A 75 -2.028 -7.141 -15.207 1.00 0.00 H new ATOM 0 HA THR A 75 -1.610 -9.875 -14.345 1.00 0.00 H new ATOM 0 HB THR A 75 -3.459 -8.777 -16.438 1.00 0.00 H new ATOM 0 HG1 THR A 75 -5.008 -8.721 -14.641 1.00 0.00 H new ATOM 0 HG21 THR A 75 -4.912 -10.708 -15.807 1.00 0.00 H new ATOM 0 HG22 THR A 75 -3.326 -11.235 -16.419 1.00 0.00 H new ATOM 0 HG23 THR A 75 -3.657 -11.257 -14.670 1.00 0.00 H new ATOM 1154 N VAL A 76 0.281 -10.152 -16.097 1.00 0.00 N ATOM 1155 CA VAL A 76 1.247 -10.649 -17.104 1.00 0.00 C ATOM 1156 C VAL A 76 0.927 -12.053 -17.649 1.00 0.00 C ATOM 1157 O VAL A 76 1.427 -12.418 -18.717 1.00 0.00 O ATOM 1158 CB VAL A 76 2.693 -10.607 -16.564 1.00 0.00 C ATOM 1159 CG1 VAL A 76 3.131 -9.167 -16.271 1.00 0.00 C ATOM 1160 CG2 VAL A 76 2.900 -11.462 -15.306 1.00 0.00 C ATOM 0 H VAL A 76 0.663 -10.135 -15.151 1.00 0.00 H new ATOM 0 HA VAL A 76 1.152 -9.964 -17.947 1.00 0.00 H new ATOM 0 HB VAL A 76 3.311 -11.032 -17.355 1.00 0.00 H new ATOM 0 HG11 VAL A 76 4.153 -9.168 -15.892 1.00 0.00 H new ATOM 0 HG12 VAL A 76 3.084 -8.579 -17.187 1.00 0.00 H new ATOM 0 HG13 VAL A 76 2.468 -8.730 -15.525 1.00 0.00 H new ATOM 0 HG21 VAL A 76 3.938 -11.386 -14.981 1.00 0.00 H new ATOM 0 HG22 VAL A 76 2.244 -11.105 -14.512 1.00 0.00 H new ATOM 0 HG23 VAL A 76 2.665 -12.502 -15.531 1.00 0.00 H new ATOM 1170 N GLY A 77 0.085 -12.830 -16.951 1.00 0.00 N ATOM 1171 CA GLY A 77 -0.339 -14.191 -17.329 1.00 0.00 C ATOM 1172 C GLY A 77 0.785 -15.230 -17.268 1.00 0.00 C ATOM 1173 O GLY A 77 1.430 -15.351 -16.202 1.00 0.00 O ATOM 1174 OXT GLY A 77 0.994 -15.940 -18.277 1.00 0.00 O ATOM 0 H GLY A 77 -0.336 -12.519 -16.076 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -1.148 -14.506 -16.669 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -0.744 -14.167 -18.341 1.00 0.00 H new TER 1178 GLY A 77