USER MOD reduce.3.24.130724 H: found=0, std=0, add=385, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 386 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 24 THR OG1 : rot -26:sc= 0.897 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot -47:sc= 0.608 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 107:sc= 1.12 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 LYS NZ :NH3+ -147:sc= 0 (180deg=-0.0298) USER MOD Single : A 67 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 24 -17.742 -4.249 4.493 1.00 0.00 N ATOM 2 CA THR A 24 -16.710 -5.264 4.848 1.00 0.00 C ATOM 3 C THR A 24 -15.313 -4.643 4.760 1.00 0.00 C ATOM 4 O THR A 24 -14.693 -4.657 3.716 1.00 0.00 O ATOM 5 CB THR A 24 -16.873 -6.373 3.808 1.00 0.00 C ATOM 6 OG1 THR A 24 -17.380 -5.818 2.602 1.00 0.00 O ATOM 7 CG2 THR A 24 -17.844 -7.431 4.334 1.00 0.00 C ATOM 0 HA THR A 24 -16.828 -5.640 5.864 1.00 0.00 H new ATOM 0 HB THR A 24 -15.905 -6.837 3.616 1.00 0.00 H new ATOM 0 HG1 THR A 24 -17.889 -5.005 2.804 1.00 0.00 H new ATOM 0 HG21 THR A 24 -17.959 -8.221 3.591 1.00 0.00 H new ATOM 0 HG22 THR A 24 -17.453 -7.856 5.258 1.00 0.00 H new ATOM 0 HG23 THR A 24 -18.813 -6.971 4.528 1.00 0.00 H new ATOM 15 N PRO A 25 -14.865 -4.116 5.867 1.00 0.00 N ATOM 16 CA PRO A 25 -13.531 -3.470 5.916 1.00 0.00 C ATOM 17 C PRO A 25 -12.425 -4.508 5.713 1.00 0.00 C ATOM 18 O PRO A 25 -11.319 -4.186 5.325 1.00 0.00 O ATOM 19 CB PRO A 25 -13.473 -2.874 7.320 1.00 0.00 C ATOM 20 CG PRO A 25 -14.458 -3.668 8.119 1.00 0.00 C ATOM 21 CD PRO A 25 -15.546 -4.106 7.172 1.00 0.00 C ATOM 0 HA PRO A 25 -13.387 -2.722 5.136 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -12.470 -2.951 7.740 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -13.734 -1.816 7.311 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -13.976 -4.531 8.577 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -14.871 -3.067 8.929 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -15.935 -5.091 7.432 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -16.391 -3.417 7.181 1.00 0.00 H new ATOM 29 N VAL A 26 -12.716 -5.753 5.976 1.00 0.00 N ATOM 30 CA VAL A 26 -11.687 -6.817 5.794 1.00 0.00 C ATOM 31 C VAL A 26 -11.323 -6.958 4.313 1.00 0.00 C ATOM 32 O VAL A 26 -10.192 -7.236 3.966 1.00 0.00 O ATOM 33 CB VAL A 26 -12.349 -8.095 6.309 1.00 0.00 C ATOM 34 CG1 VAL A 26 -11.436 -9.292 6.033 1.00 0.00 C ATOM 35 CG2 VAL A 26 -12.585 -7.970 7.816 1.00 0.00 C ATOM 0 H VAL A 26 -13.623 -6.080 6.309 1.00 0.00 H new ATOM 0 HA VAL A 26 -10.762 -6.593 6.325 1.00 0.00 H new ATOM 0 HB VAL A 26 -13.302 -8.243 5.800 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -11.909 -10.203 6.401 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -11.265 -9.379 4.960 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -10.483 -9.147 6.542 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -13.057 -8.880 8.187 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -11.631 -7.824 8.323 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -13.235 -7.118 8.013 1.00 0.00 H new ATOM 45 N LEU A 27 -12.273 -6.769 3.438 1.00 0.00 N ATOM 46 CA LEU A 27 -11.983 -6.896 1.981 1.00 0.00 C ATOM 47 C LEU A 27 -10.889 -5.908 1.570 1.00 0.00 C ATOM 48 O LEU A 27 -10.053 -6.199 0.739 1.00 0.00 O ATOM 49 CB LEU A 27 -13.300 -6.549 1.286 1.00 0.00 C ATOM 50 CG LEU A 27 -13.397 -7.309 -0.037 1.00 0.00 C ATOM 51 CD1 LEU A 27 -12.153 -7.024 -0.881 1.00 0.00 C ATOM 52 CD2 LEU A 27 -13.487 -8.810 0.246 1.00 0.00 C ATOM 0 H LEU A 27 -13.238 -6.532 3.669 1.00 0.00 H new ATOM 0 HA LEU A 27 -11.628 -7.892 1.717 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -14.141 -6.808 1.929 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -13.356 -5.476 1.105 1.00 0.00 H new ATOM 0 HG LEU A 27 -14.286 -6.986 -0.579 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -12.221 -7.566 -1.824 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -12.086 -5.955 -1.081 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -11.264 -7.349 -0.340 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -13.556 -9.354 -0.696 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -12.597 -9.132 0.787 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -14.372 -9.014 0.849 1.00 0.00 H new ATOM 64 N VAL A 28 -10.894 -4.739 2.147 1.00 0.00 N ATOM 65 CA VAL A 28 -9.865 -3.721 1.790 1.00 0.00 C ATOM 66 C VAL A 28 -8.460 -4.255 2.083 1.00 0.00 C ATOM 67 O VAL A 28 -7.545 -4.081 1.303 1.00 0.00 O ATOM 68 CB VAL A 28 -10.186 -2.522 2.680 1.00 0.00 C ATOM 69 CG1 VAL A 28 -9.076 -1.476 2.558 1.00 0.00 C ATOM 70 CG2 VAL A 28 -11.517 -1.909 2.238 1.00 0.00 C ATOM 0 H VAL A 28 -11.568 -4.443 2.853 1.00 0.00 H new ATOM 0 HA VAL A 28 -9.883 -3.463 0.731 1.00 0.00 H new ATOM 0 HB VAL A 28 -10.258 -2.848 3.718 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -9.309 -0.622 3.194 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -8.128 -1.914 2.870 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -8.999 -1.146 1.522 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -11.751 -1.052 2.870 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -11.441 -1.584 1.200 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -12.308 -2.653 2.328 1.00 0.00 H new ATOM 80 N ILE A 29 -8.281 -4.901 3.203 1.00 0.00 N ATOM 81 CA ILE A 29 -6.937 -5.454 3.538 1.00 0.00 C ATOM 82 C ILE A 29 -6.552 -6.555 2.546 1.00 0.00 C ATOM 83 O ILE A 29 -5.408 -6.682 2.158 1.00 0.00 O ATOM 84 CB ILE A 29 -7.088 -6.031 4.945 1.00 0.00 C ATOM 85 CG1 ILE A 29 -7.445 -4.906 5.919 1.00 0.00 C ATOM 86 CG2 ILE A 29 -5.771 -6.677 5.377 1.00 0.00 C ATOM 87 CD1 ILE A 29 -7.771 -5.502 7.290 1.00 0.00 C ATOM 0 H ILE A 29 -9.006 -5.070 3.900 1.00 0.00 H new ATOM 0 HA ILE A 29 -6.155 -4.696 3.488 1.00 0.00 H new ATOM 0 HB ILE A 29 -7.878 -6.782 4.947 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -6.614 -4.206 6.003 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -8.299 -4.343 5.543 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -5.879 -7.088 6.381 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -5.513 -7.477 4.683 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -4.980 -5.927 5.376 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -8.025 -4.701 7.984 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -8.616 -6.185 7.198 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -6.904 -6.046 7.666 1.00 0.00 H new ATOM 99 N LEU A 30 -7.499 -7.351 2.136 1.00 0.00 N ATOM 100 CA LEU A 30 -7.189 -8.452 1.178 1.00 0.00 C ATOM 101 C LEU A 30 -6.661 -7.880 -0.141 1.00 0.00 C ATOM 102 O LEU A 30 -5.707 -8.376 -0.706 1.00 0.00 O ATOM 103 CB LEU A 30 -8.523 -9.164 0.958 1.00 0.00 C ATOM 104 CG LEU A 30 -9.006 -9.765 2.277 1.00 0.00 C ATOM 105 CD1 LEU A 30 -10.306 -10.534 2.041 1.00 0.00 C ATOM 106 CD2 LEU A 30 -7.940 -10.720 2.817 1.00 0.00 C ATOM 0 H LEU A 30 -8.476 -7.288 2.422 1.00 0.00 H new ATOM 0 HA LEU A 30 -6.421 -9.126 1.557 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -9.263 -8.462 0.574 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -8.409 -9.948 0.209 1.00 0.00 H new ATOM 0 HG LEU A 30 -9.183 -8.968 2.999 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -10.651 -10.963 2.982 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -11.065 -9.855 1.652 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -10.130 -11.333 1.321 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -8.281 -11.151 3.758 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -7.766 -11.517 2.095 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -7.012 -10.173 2.983 1.00 0.00 H new ATOM 118 N LEU A 31 -7.275 -6.842 -0.637 1.00 0.00 N ATOM 119 CA LEU A 31 -6.803 -6.234 -1.915 1.00 0.00 C ATOM 120 C LEU A 31 -5.382 -5.686 -1.752 1.00 0.00 C ATOM 121 O LEU A 31 -4.538 -5.859 -2.608 1.00 0.00 O ATOM 122 CB LEU A 31 -7.788 -5.101 -2.200 1.00 0.00 C ATOM 123 CG LEU A 31 -7.446 -4.458 -3.544 1.00 0.00 C ATOM 124 CD1 LEU A 31 -7.827 -5.410 -4.679 1.00 0.00 C ATOM 125 CD2 LEU A 31 -8.225 -3.149 -3.694 1.00 0.00 C ATOM 0 H LEU A 31 -8.084 -6.387 -0.213 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.768 -6.959 -2.729 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -8.807 -5.486 -2.217 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.742 -4.356 -1.406 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.376 -4.253 -3.587 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -7.583 -4.950 -5.637 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -7.274 -6.343 -4.573 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -8.897 -5.616 -4.638 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -7.982 -2.689 -4.652 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -9.294 -3.355 -3.651 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -7.954 -2.469 -2.886 1.00 0.00 H new ATOM 137 N GLY A 32 -5.110 -5.029 -0.658 1.00 0.00 N ATOM 138 CA GLY A 32 -3.742 -4.477 -0.442 1.00 0.00 C ATOM 139 C GLY A 32 -2.739 -5.627 -0.335 1.00 0.00 C ATOM 140 O GLY A 32 -1.630 -5.546 -0.825 1.00 0.00 O ATOM 0 H GLY A 32 -5.775 -4.851 0.095 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -3.470 -3.818 -1.267 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -3.720 -3.876 0.467 1.00 0.00 H new ATOM 144 N VAL A 33 -3.122 -6.699 0.303 1.00 0.00 N ATOM 145 CA VAL A 33 -2.192 -7.854 0.456 1.00 0.00 C ATOM 146 C VAL A 33 -1.747 -8.365 -0.918 1.00 0.00 C ATOM 147 O VAL A 33 -0.584 -8.632 -1.146 1.00 0.00 O ATOM 148 CB VAL A 33 -3.011 -8.924 1.180 1.00 0.00 C ATOM 149 CG1 VAL A 33 -2.233 -10.241 1.198 1.00 0.00 C ATOM 150 CG2 VAL A 33 -3.281 -8.472 2.617 1.00 0.00 C ATOM 0 H VAL A 33 -4.041 -6.825 0.726 1.00 0.00 H new ATOM 0 HA VAL A 33 -1.288 -7.585 1.003 1.00 0.00 H new ATOM 0 HB VAL A 33 -3.957 -9.070 0.659 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -2.818 -11.002 1.714 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -2.040 -10.564 0.175 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -1.286 -10.097 1.718 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -3.865 -9.233 3.134 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -2.334 -8.326 3.136 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -3.837 -7.535 2.605 1.00 0.00 H new ATOM 160 N VAL A 34 -2.669 -8.509 -1.829 1.00 0.00 N ATOM 161 CA VAL A 34 -2.309 -8.991 -3.193 1.00 0.00 C ATOM 162 C VAL A 34 -1.313 -8.037 -3.860 1.00 0.00 C ATOM 163 O VAL A 34 -0.379 -8.459 -4.514 1.00 0.00 O ATOM 164 CB VAL A 34 -3.630 -9.007 -3.961 1.00 0.00 C ATOM 165 CG1 VAL A 34 -3.368 -9.354 -5.428 1.00 0.00 C ATOM 166 CG2 VAL A 34 -4.560 -10.056 -3.348 1.00 0.00 C ATOM 0 H VAL A 34 -3.660 -8.313 -1.687 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.832 -9.971 -3.169 1.00 0.00 H new ATOM 0 HB VAL A 34 -4.096 -8.024 -3.900 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -4.312 -9.365 -5.973 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.704 -8.608 -5.865 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -2.901 -10.337 -5.492 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -5.503 -10.070 -3.894 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -4.091 -11.038 -3.409 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -4.749 -9.809 -2.303 1.00 0.00 H new ATOM 176 N GLY A 35 -1.504 -6.756 -3.707 1.00 0.00 N ATOM 177 CA GLY A 35 -0.565 -5.784 -4.337 1.00 0.00 C ATOM 178 C GLY A 35 0.854 -6.016 -3.810 1.00 0.00 C ATOM 179 O GLY A 35 1.817 -5.956 -4.548 1.00 0.00 O ATOM 0 H GLY A 35 -2.268 -6.340 -3.174 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -0.583 -5.897 -5.421 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -0.882 -4.764 -4.118 1.00 0.00 H new ATOM 183 N LEU A 36 0.994 -6.278 -2.539 1.00 0.00 N ATOM 184 CA LEU A 36 2.354 -6.515 -1.972 1.00 0.00 C ATOM 185 C LEU A 36 3.022 -7.710 -2.660 1.00 0.00 C ATOM 186 O LEU A 36 4.210 -7.708 -2.915 1.00 0.00 O ATOM 187 CB LEU A 36 2.119 -6.818 -0.491 1.00 0.00 C ATOM 188 CG LEU A 36 3.463 -6.988 0.217 1.00 0.00 C ATOM 189 CD1 LEU A 36 4.146 -5.626 0.347 1.00 0.00 C ATOM 190 CD2 LEU A 36 3.234 -7.576 1.612 1.00 0.00 C ATOM 0 H LEU A 36 0.227 -6.338 -1.869 1.00 0.00 H new ATOM 0 HA LEU A 36 3.012 -5.658 -2.118 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.553 -6.009 -0.029 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.523 -7.725 -0.385 1.00 0.00 H new ATOM 0 HG LEU A 36 4.096 -7.660 -0.363 1.00 0.00 H new ATOM 0 HD11 LEU A 36 5.105 -5.746 0.852 1.00 0.00 H new ATOM 0 HD12 LEU A 36 4.309 -5.204 -0.645 1.00 0.00 H new ATOM 0 HD13 LEU A 36 3.512 -4.955 0.927 1.00 0.00 H new ATOM 0 HD21 LEU A 36 4.192 -7.697 2.117 1.00 0.00 H new ATOM 0 HD22 LEU A 36 2.601 -6.903 2.191 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.746 -8.546 1.522 1.00 0.00 H new ATOM 202 N SER A 37 2.269 -8.733 -2.956 1.00 0.00 N ATOM 203 CA SER A 37 2.859 -9.932 -3.620 1.00 0.00 C ATOM 204 C SER A 37 3.519 -9.547 -4.950 1.00 0.00 C ATOM 205 O SER A 37 4.637 -9.932 -5.232 1.00 0.00 O ATOM 206 CB SER A 37 1.672 -10.864 -3.861 1.00 0.00 C ATOM 207 OG SER A 37 2.149 -12.154 -4.223 1.00 0.00 O ATOM 0 H SER A 37 1.268 -8.792 -2.767 1.00 0.00 H new ATOM 0 HA SER A 37 3.636 -10.398 -3.013 1.00 0.00 H new ATOM 0 HB2 SER A 37 1.059 -10.930 -2.962 1.00 0.00 H new ATOM 0 HB3 SER A 37 1.037 -10.464 -4.651 1.00 0.00 H new ATOM 0 HG SER A 37 1.389 -12.753 -4.376 1.00 0.00 H new ATOM 213 N ALA A 38 2.838 -8.795 -5.770 1.00 0.00 N ATOM 214 CA ALA A 38 3.447 -8.359 -7.061 1.00 0.00 C ATOM 215 C ALA A 38 4.787 -7.661 -6.808 1.00 0.00 C ATOM 216 O ALA A 38 5.706 -7.757 -7.598 1.00 0.00 O ATOM 217 CB ALA A 38 2.440 -7.379 -7.664 1.00 0.00 C ATOM 0 H ALA A 38 1.888 -8.463 -5.604 1.00 0.00 H new ATOM 0 HA ALA A 38 3.648 -9.200 -7.725 1.00 0.00 H new ATOM 0 HB1 ALA A 38 2.816 -7.012 -8.619 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.488 -7.886 -7.820 1.00 0.00 H new ATOM 0 HB3 ALA A 38 2.297 -6.540 -6.984 1.00 0.00 H new ATOM 223 N LEU A 39 4.903 -6.957 -5.717 1.00 0.00 N ATOM 224 CA LEU A 39 6.181 -6.253 -5.413 1.00 0.00 C ATOM 225 C LEU A 39 6.916 -6.944 -4.261 1.00 0.00 C ATOM 226 O LEU A 39 6.518 -6.854 -3.116 1.00 0.00 O ATOM 227 CB LEU A 39 5.762 -4.839 -5.010 1.00 0.00 C ATOM 228 CG LEU A 39 7.010 -3.988 -4.776 1.00 0.00 C ATOM 229 CD1 LEU A 39 7.658 -3.651 -6.120 1.00 0.00 C ATOM 230 CD2 LEU A 39 6.613 -2.694 -4.062 1.00 0.00 C ATOM 0 H LEU A 39 4.167 -6.838 -5.021 1.00 0.00 H new ATOM 0 HA LEU A 39 6.863 -6.254 -6.263 1.00 0.00 H new ATOM 0 HB2 LEU A 39 5.146 -4.394 -5.791 1.00 0.00 H new ATOM 0 HB3 LEU A 39 5.155 -4.871 -4.105 1.00 0.00 H new ATOM 0 HG LEU A 39 7.720 -4.542 -4.161 1.00 0.00 H new ATOM 0 HD11 LEU A 39 8.548 -3.044 -5.953 1.00 0.00 H new ATOM 0 HD12 LEU A 39 7.938 -4.573 -6.630 1.00 0.00 H new ATOM 0 HD13 LEU A 39 6.951 -3.096 -6.736 1.00 0.00 H new ATOM 0 HD21 LEU A 39 7.501 -2.084 -3.893 1.00 0.00 H new ATOM 0 HD22 LEU A 39 5.905 -2.141 -4.679 1.00 0.00 H new ATOM 0 HD23 LEU A 39 6.150 -2.934 -3.105 1.00 0.00 H new ATOM 242 N THR A 40 7.980 -7.640 -4.554 1.00 0.00 N ATOM 243 CA THR A 40 8.729 -8.348 -3.476 1.00 0.00 C ATOM 244 C THR A 40 10.238 -8.285 -3.734 1.00 0.00 C ATOM 245 O THR A 40 10.959 -9.230 -3.481 1.00 0.00 O ATOM 246 CB THR A 40 8.233 -9.794 -3.537 1.00 0.00 C ATOM 247 OG1 THR A 40 8.800 -10.535 -2.465 1.00 0.00 O ATOM 248 CG2 THR A 40 8.649 -10.418 -4.870 1.00 0.00 C ATOM 0 H THR A 40 8.364 -7.749 -5.493 1.00 0.00 H new ATOM 0 HA THR A 40 8.563 -7.897 -2.498 1.00 0.00 H new ATOM 0 HB THR A 40 7.146 -9.811 -3.453 1.00 0.00 H new ATOM 0 HG1 THR A 40 9.763 -10.359 -2.419 1.00 0.00 H new ATOM 0 HG21 THR A 40 8.296 -11.448 -4.915 1.00 0.00 H new ATOM 0 HG22 THR A 40 8.212 -9.849 -5.690 1.00 0.00 H new ATOM 0 HG23 THR A 40 9.736 -10.402 -4.956 1.00 0.00 H new ATOM 256 N GLY A 41 10.724 -7.184 -4.238 1.00 0.00 N ATOM 257 CA GLY A 41 12.184 -7.079 -4.522 1.00 0.00 C ATOM 258 C GLY A 41 12.700 -5.711 -4.072 1.00 0.00 C ATOM 259 O GLY A 41 12.016 -4.713 -4.182 1.00 0.00 O ATOM 0 H GLY A 41 10.175 -6.355 -4.465 1.00 0.00 H new ATOM 0 HA2 GLY A 41 12.723 -7.871 -4.002 1.00 0.00 H new ATOM 0 HA3 GLY A 41 12.368 -7.215 -5.588 1.00 0.00 H new ATOM 263 N TYR A 42 13.902 -5.656 -3.562 1.00 0.00 N ATOM 264 CA TYR A 42 14.462 -4.349 -3.108 1.00 0.00 C ATOM 265 C TYR A 42 14.705 -3.425 -4.306 1.00 0.00 C ATOM 266 O TYR A 42 14.559 -3.818 -5.447 1.00 0.00 O ATOM 267 CB TYR A 42 15.787 -4.701 -2.432 1.00 0.00 C ATOM 268 CG TYR A 42 16.832 -4.977 -3.487 1.00 0.00 C ATOM 269 CD1 TYR A 42 16.987 -6.272 -3.997 1.00 0.00 C ATOM 270 CD2 TYR A 42 17.649 -3.939 -3.953 1.00 0.00 C ATOM 271 CE1 TYR A 42 17.955 -6.527 -4.976 1.00 0.00 C ATOM 272 CE2 TYR A 42 18.617 -4.195 -4.931 1.00 0.00 C ATOM 273 CZ TYR A 42 18.771 -5.490 -5.442 1.00 0.00 C ATOM 274 OH TYR A 42 19.726 -5.743 -6.406 1.00 0.00 O ATOM 0 H TYR A 42 14.520 -6.459 -3.440 1.00 0.00 H new ATOM 0 HA TYR A 42 13.783 -3.824 -2.436 1.00 0.00 H new ATOM 0 HB2 TYR A 42 16.110 -3.881 -1.791 1.00 0.00 H new ATOM 0 HB3 TYR A 42 15.661 -5.575 -1.793 1.00 0.00 H new ATOM 0 HD1 TYR A 42 16.360 -7.074 -3.635 1.00 0.00 H new ATOM 0 HD2 TYR A 42 17.532 -2.941 -3.558 1.00 0.00 H new ATOM 0 HE1 TYR A 42 18.072 -7.525 -5.372 1.00 0.00 H new ATOM 0 HE2 TYR A 42 19.245 -3.394 -5.292 1.00 0.00 H new ATOM 0 HH TYR A 42 20.204 -4.914 -6.618 1.00 0.00 H new ATOM 284 N LEU A 43 15.080 -2.200 -4.053 1.00 0.00 N ATOM 285 CA LEU A 43 15.317 -1.243 -5.172 1.00 0.00 C ATOM 286 C LEU A 43 15.865 0.079 -4.623 1.00 0.00 C ATOM 287 O LEU A 43 15.314 0.654 -3.706 1.00 0.00 O ATOM 288 CB LEU A 43 13.944 -1.028 -5.809 1.00 0.00 C ATOM 289 CG LEU A 43 14.084 -0.130 -7.039 1.00 0.00 C ATOM 290 CD1 LEU A 43 14.758 -0.911 -8.170 1.00 0.00 C ATOM 291 CD2 LEU A 43 12.698 0.329 -7.495 1.00 0.00 C ATOM 0 H LEU A 43 15.233 -1.820 -3.119 1.00 0.00 H new ATOM 0 HA LEU A 43 16.044 -1.619 -5.891 1.00 0.00 H new ATOM 0 HB2 LEU A 43 13.510 -1.986 -6.094 1.00 0.00 H new ATOM 0 HB3 LEU A 43 13.265 -0.572 -5.089 1.00 0.00 H new ATOM 0 HG LEU A 43 14.691 0.739 -6.785 1.00 0.00 H new ATOM 0 HD11 LEU A 43 14.857 -0.270 -9.046 1.00 0.00 H new ATOM 0 HD12 LEU A 43 15.746 -1.239 -7.847 1.00 0.00 H new ATOM 0 HD13 LEU A 43 14.151 -1.780 -8.423 1.00 0.00 H new ATOM 0 HD21 LEU A 43 12.797 0.969 -8.372 1.00 0.00 H new ATOM 0 HD22 LEU A 43 12.091 -0.541 -7.747 1.00 0.00 H new ATOM 0 HD23 LEU A 43 12.217 0.886 -6.691 1.00 0.00 H new ATOM 303 N ASP A 44 16.943 0.565 -5.176 1.00 0.00 N ATOM 304 CA ASP A 44 17.512 1.855 -4.690 1.00 0.00 C ATOM 305 C ASP A 44 16.560 3.011 -5.012 1.00 0.00 C ATOM 306 O ASP A 44 15.493 2.814 -5.558 1.00 0.00 O ATOM 307 CB ASP A 44 18.829 2.017 -5.449 1.00 0.00 C ATOM 308 CG ASP A 44 19.813 0.932 -5.005 1.00 0.00 C ATOM 309 OD1 ASP A 44 19.554 0.305 -3.991 1.00 0.00 O ATOM 310 OD2 ASP A 44 20.808 0.748 -5.686 1.00 0.00 O ATOM 0 H ASP A 44 17.454 0.126 -5.942 1.00 0.00 H new ATOM 0 HA ASP A 44 17.660 1.860 -3.610 1.00 0.00 H new ATOM 0 HB2 ASP A 44 18.653 1.946 -6.522 1.00 0.00 H new ATOM 0 HB3 ASP A 44 19.251 3.004 -5.260 1.00 0.00 H new ATOM 315 N TYR A 45 16.938 4.214 -4.679 1.00 0.00 N ATOM 316 CA TYR A 45 16.046 5.378 -4.950 1.00 0.00 C ATOM 317 C TYR A 45 16.551 6.158 -6.167 1.00 0.00 C ATOM 318 O TYR A 45 17.699 6.549 -6.233 1.00 0.00 O ATOM 319 CB TYR A 45 16.125 6.239 -3.690 1.00 0.00 C ATOM 320 CG TYR A 45 15.685 5.425 -2.496 1.00 0.00 C ATOM 321 CD1 TYR A 45 14.321 5.266 -2.222 1.00 0.00 C ATOM 322 CD2 TYR A 45 16.640 4.832 -1.663 1.00 0.00 C ATOM 323 CE1 TYR A 45 13.913 4.513 -1.115 1.00 0.00 C ATOM 324 CE2 TYR A 45 16.232 4.078 -0.556 1.00 0.00 C ATOM 325 CZ TYR A 45 14.869 3.919 -0.281 1.00 0.00 C ATOM 326 OH TYR A 45 14.467 3.177 0.811 1.00 0.00 O ATOM 0 H TYR A 45 17.826 4.442 -4.231 1.00 0.00 H new ATOM 0 HA TYR A 45 15.023 5.073 -5.171 1.00 0.00 H new ATOM 0 HB2 TYR A 45 17.144 6.597 -3.544 1.00 0.00 H new ATOM 0 HB3 TYR A 45 15.491 7.119 -3.797 1.00 0.00 H new ATOM 0 HD1 TYR A 45 13.584 5.724 -2.865 1.00 0.00 H new ATOM 0 HD2 TYR A 45 17.692 4.956 -1.874 1.00 0.00 H new ATOM 0 HE1 TYR A 45 12.861 4.390 -0.904 1.00 0.00 H new ATOM 0 HE2 TYR A 45 16.969 3.619 0.086 1.00 0.00 H new ATOM 0 HH TYR A 45 15.255 2.835 1.282 1.00 0.00 H new ATOM 336 N VAL A 46 15.701 6.388 -7.130 1.00 0.00 N ATOM 337 CA VAL A 46 16.134 7.146 -8.340 1.00 0.00 C ATOM 338 C VAL A 46 15.698 8.610 -8.230 1.00 0.00 C ATOM 339 O VAL A 46 15.673 9.181 -7.158 1.00 0.00 O ATOM 340 CB VAL A 46 15.426 6.463 -9.509 1.00 0.00 C ATOM 341 CG1 VAL A 46 16.299 6.561 -10.762 1.00 0.00 C ATOM 342 CG2 VAL A 46 15.189 4.990 -9.168 1.00 0.00 C ATOM 0 H VAL A 46 14.727 6.085 -7.132 1.00 0.00 H new ATOM 0 HA VAL A 46 17.217 7.145 -8.463 1.00 0.00 H new ATOM 0 HB VAL A 46 14.470 6.954 -9.693 1.00 0.00 H new ATOM 0 HG11 VAL A 46 15.794 6.074 -11.596 1.00 0.00 H new ATOM 0 HG12 VAL A 46 16.471 7.610 -11.004 1.00 0.00 H new ATOM 0 HG13 VAL A 46 17.255 6.069 -10.579 1.00 0.00 H new ATOM 0 HG21 VAL A 46 14.684 4.500 -10.001 1.00 0.00 H new ATOM 0 HG22 VAL A 46 16.146 4.500 -8.985 1.00 0.00 H new ATOM 0 HG23 VAL A 46 14.569 4.919 -8.275 1.00 0.00 H new ATOM 352 N LEU A 47 15.356 9.221 -9.331 1.00 0.00 N ATOM 353 CA LEU A 47 14.936 10.651 -9.290 1.00 0.00 C ATOM 354 C LEU A 47 13.738 10.825 -8.353 1.00 0.00 C ATOM 355 O LEU A 47 13.632 11.804 -7.642 1.00 0.00 O ATOM 356 CB LEU A 47 14.539 10.990 -10.727 1.00 0.00 C ATOM 357 CG LEU A 47 15.769 11.458 -11.503 1.00 0.00 C ATOM 358 CD1 LEU A 47 16.287 12.763 -10.896 1.00 0.00 C ATOM 359 CD2 LEU A 47 16.862 10.389 -11.418 1.00 0.00 C ATOM 0 H LEU A 47 15.349 8.793 -10.257 1.00 0.00 H new ATOM 0 HA LEU A 47 15.729 11.301 -8.920 1.00 0.00 H new ATOM 0 HB2 LEU A 47 14.103 10.116 -11.210 1.00 0.00 H new ATOM 0 HB3 LEU A 47 13.777 11.769 -10.730 1.00 0.00 H new ATOM 0 HG LEU A 47 15.500 11.622 -12.546 1.00 0.00 H new ATOM 0 HD11 LEU A 47 17.165 13.098 -11.449 1.00 0.00 H new ATOM 0 HD12 LEU A 47 15.509 13.525 -10.953 1.00 0.00 H new ATOM 0 HD13 LEU A 47 16.557 12.597 -9.853 1.00 0.00 H new ATOM 0 HD21 LEU A 47 17.740 10.722 -11.971 1.00 0.00 H new ATOM 0 HD22 LEU A 47 17.131 10.226 -10.374 1.00 0.00 H new ATOM 0 HD23 LEU A 47 16.494 9.457 -11.848 1.00 0.00 H new ATOM 371 N LEU A 48 12.833 9.884 -8.351 1.00 0.00 N ATOM 372 CA LEU A 48 11.643 9.998 -7.461 1.00 0.00 C ATOM 373 C LEU A 48 11.118 8.611 -7.081 1.00 0.00 C ATOM 374 O LEU A 48 10.744 7.834 -7.937 1.00 0.00 O ATOM 375 CB LEU A 48 10.602 10.752 -8.291 1.00 0.00 C ATOM 376 CG LEU A 48 10.388 12.146 -7.701 1.00 0.00 C ATOM 377 CD1 LEU A 48 9.866 13.086 -8.789 1.00 0.00 C ATOM 378 CD2 LEU A 48 9.365 12.066 -6.565 1.00 0.00 C ATOM 0 H LEU A 48 12.866 9.042 -8.926 1.00 0.00 H new ATOM 0 HA LEU A 48 11.878 10.510 -6.528 1.00 0.00 H new ATOM 0 HB2 LEU A 48 10.935 10.831 -9.326 1.00 0.00 H new ATOM 0 HB3 LEU A 48 9.661 10.202 -8.300 1.00 0.00 H new ATOM 0 HG LEU A 48 11.334 12.526 -7.315 1.00 0.00 H new ATOM 0 HD11 LEU A 48 9.713 14.080 -8.369 1.00 0.00 H new ATOM 0 HD12 LEU A 48 10.592 13.143 -9.600 1.00 0.00 H new ATOM 0 HD13 LEU A 48 8.920 12.706 -9.175 1.00 0.00 H new ATOM 0 HD21 LEU A 48 9.211 13.059 -6.143 1.00 0.00 H new ATOM 0 HD22 LEU A 48 8.420 11.686 -6.953 1.00 0.00 H new ATOM 0 HD23 LEU A 48 9.735 11.396 -5.789 1.00 0.00 H new ATOM 390 N PRO A 49 11.099 8.349 -5.802 1.00 0.00 N ATOM 391 CA PRO A 49 10.613 7.040 -5.301 1.00 0.00 C ATOM 392 C PRO A 49 9.094 6.940 -5.474 1.00 0.00 C ATOM 393 O PRO A 49 8.354 6.866 -4.514 1.00 0.00 O ATOM 394 CB PRO A 49 10.998 7.058 -3.824 1.00 0.00 C ATOM 395 CG PRO A 49 11.075 8.508 -3.467 1.00 0.00 C ATOM 396 CD PRO A 49 11.520 9.235 -4.708 1.00 0.00 C ATOM 0 HA PRO A 49 11.036 6.188 -5.833 1.00 0.00 H new ATOM 0 HB2 PRO A 49 10.257 6.540 -3.216 1.00 0.00 H new ATOM 0 HB3 PRO A 49 11.952 6.558 -3.658 1.00 0.00 H new ATOM 0 HG2 PRO A 49 10.106 8.876 -3.129 1.00 0.00 H new ATOM 0 HG3 PRO A 49 11.779 8.669 -2.651 1.00 0.00 H new ATOM 0 HD2 PRO A 49 11.053 10.217 -4.786 1.00 0.00 H new ATOM 0 HD3 PRO A 49 12.598 9.394 -4.714 1.00 0.00 H new ATOM 404 N ALA A 50 8.626 6.933 -6.693 1.00 0.00 N ATOM 405 CA ALA A 50 7.156 6.837 -6.930 1.00 0.00 C ATOM 406 C ALA A 50 6.600 5.562 -6.288 1.00 0.00 C ATOM 407 O ALA A 50 5.472 5.522 -5.839 1.00 0.00 O ATOM 408 CB ALA A 50 7.003 6.780 -8.450 1.00 0.00 C ATOM 0 H ALA A 50 9.198 6.990 -7.536 1.00 0.00 H new ATOM 0 HA ALA A 50 6.612 7.676 -6.496 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.946 6.708 -8.707 1.00 0.00 H new ATOM 0 HB2 ALA A 50 7.423 7.683 -8.892 1.00 0.00 H new ATOM 0 HB3 ALA A 50 7.530 5.908 -8.836 1.00 0.00 H new ATOM 414 N LEU A 51 7.385 4.518 -6.245 1.00 0.00 N ATOM 415 CA LEU A 51 6.901 3.242 -5.639 1.00 0.00 C ATOM 416 C LEU A 51 6.691 3.416 -4.132 1.00 0.00 C ATOM 417 O LEU A 51 5.661 3.062 -3.593 1.00 0.00 O ATOM 418 CB LEU A 51 8.014 2.228 -5.914 1.00 0.00 C ATOM 419 CG LEU A 51 7.568 0.838 -5.450 1.00 0.00 C ATOM 420 CD1 LEU A 51 6.488 0.304 -6.391 1.00 0.00 C ATOM 421 CD2 LEU A 51 8.767 -0.114 -5.464 1.00 0.00 C ATOM 0 H LEU A 51 8.340 4.493 -6.603 1.00 0.00 H new ATOM 0 HA LEU A 51 5.946 2.923 -6.055 1.00 0.00 H new ATOM 0 HB2 LEU A 51 8.248 2.209 -6.978 1.00 0.00 H new ATOM 0 HB3 LEU A 51 8.925 2.522 -5.392 1.00 0.00 H new ATOM 0 HG LEU A 51 7.167 0.907 -4.439 1.00 0.00 H new ATOM 0 HD11 LEU A 51 6.172 -0.685 -6.059 1.00 0.00 H new ATOM 0 HD12 LEU A 51 5.633 0.979 -6.384 1.00 0.00 H new ATOM 0 HD13 LEU A 51 6.888 0.236 -7.403 1.00 0.00 H new ATOM 0 HD21 LEU A 51 8.450 -1.103 -5.134 1.00 0.00 H new ATOM 0 HD22 LEU A 51 9.167 -0.180 -6.476 1.00 0.00 H new ATOM 0 HD23 LEU A 51 9.539 0.263 -4.792 1.00 0.00 H new ATOM 433 N ALA A 52 7.662 3.956 -3.448 1.00 0.00 N ATOM 434 CA ALA A 52 7.513 4.166 -1.978 1.00 0.00 C ATOM 435 C ALA A 52 6.260 4.997 -1.684 1.00 0.00 C ATOM 436 O ALA A 52 5.503 4.697 -0.783 1.00 0.00 O ATOM 437 CB ALA A 52 8.771 4.927 -1.562 1.00 0.00 C ATOM 0 H ALA A 52 8.552 4.261 -3.842 1.00 0.00 H new ATOM 0 HA ALA A 52 7.403 3.227 -1.435 1.00 0.00 H new ATOM 0 HB1 ALA A 52 8.740 5.122 -0.490 1.00 0.00 H new ATOM 0 HB2 ALA A 52 9.652 4.330 -1.797 1.00 0.00 H new ATOM 0 HB3 ALA A 52 8.819 5.873 -2.102 1.00 0.00 H new ATOM 443 N ILE A 53 6.039 6.040 -2.436 1.00 0.00 N ATOM 444 CA ILE A 53 4.824 6.877 -2.214 1.00 0.00 C ATOM 445 C ILE A 53 3.559 6.072 -2.524 1.00 0.00 C ATOM 446 O ILE A 53 2.591 6.113 -1.792 1.00 0.00 O ATOM 447 CB ILE A 53 4.967 8.047 -3.189 1.00 0.00 C ATOM 448 CG1 ILE A 53 6.273 8.792 -2.902 1.00 0.00 C ATOM 449 CG2 ILE A 53 3.786 9.005 -3.014 1.00 0.00 C ATOM 450 CD1 ILE A 53 6.368 9.104 -1.407 1.00 0.00 C ATOM 0 H ILE A 53 6.646 6.350 -3.195 1.00 0.00 H new ATOM 0 HA ILE A 53 4.739 7.213 -1.181 1.00 0.00 H new ATOM 0 HB ILE A 53 4.980 7.669 -4.211 1.00 0.00 H new ATOM 0 HG12 ILE A 53 7.125 8.187 -3.212 1.00 0.00 H new ATOM 0 HG13 ILE A 53 6.311 9.716 -3.480 1.00 0.00 H new ATOM 0 HG21 ILE A 53 3.888 9.839 -3.709 1.00 0.00 H new ATOM 0 HG22 ILE A 53 2.855 8.476 -3.216 1.00 0.00 H new ATOM 0 HG23 ILE A 53 3.773 9.384 -1.992 1.00 0.00 H new ATOM 0 HD11 ILE A 53 7.298 9.634 -1.204 1.00 0.00 H new ATOM 0 HD12 ILE A 53 5.524 9.726 -1.111 1.00 0.00 H new ATOM 0 HD13 ILE A 53 6.350 8.174 -0.839 1.00 0.00 H new ATOM 462 N PHE A 54 3.560 5.343 -3.606 1.00 0.00 N ATOM 463 CA PHE A 54 2.361 4.529 -3.960 1.00 0.00 C ATOM 464 C PHE A 54 1.975 3.609 -2.797 1.00 0.00 C ATOM 465 O PHE A 54 0.819 3.499 -2.439 1.00 0.00 O ATOM 466 CB PHE A 54 2.790 3.708 -5.176 1.00 0.00 C ATOM 467 CG PHE A 54 1.602 2.954 -5.723 1.00 0.00 C ATOM 468 CD1 PHE A 54 0.716 3.585 -6.605 1.00 0.00 C ATOM 469 CD2 PHE A 54 1.386 1.622 -5.348 1.00 0.00 C ATOM 470 CE1 PHE A 54 -0.384 2.884 -7.113 1.00 0.00 C ATOM 471 CE2 PHE A 54 0.285 0.921 -5.856 1.00 0.00 C ATOM 472 CZ PHE A 54 -0.600 1.553 -6.738 1.00 0.00 C ATOM 0 H PHE A 54 4.339 5.275 -4.261 1.00 0.00 H new ATOM 0 HA PHE A 54 1.489 5.149 -4.170 1.00 0.00 H new ATOM 0 HB2 PHE A 54 3.202 4.364 -5.943 1.00 0.00 H new ATOM 0 HB3 PHE A 54 3.579 3.010 -4.896 1.00 0.00 H new ATOM 0 HD1 PHE A 54 0.881 4.613 -6.893 1.00 0.00 H new ATOM 0 HD2 PHE A 54 2.069 1.135 -4.667 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -1.066 3.370 -7.795 1.00 0.00 H new ATOM 0 HE2 PHE A 54 0.119 -0.106 -5.568 1.00 0.00 H new ATOM 0 HZ PHE A 54 -1.450 1.013 -7.129 1.00 0.00 H new ATOM 482 N ILE A 55 2.931 2.946 -2.205 1.00 0.00 N ATOM 483 CA ILE A 55 2.618 2.054 -1.051 1.00 0.00 C ATOM 484 C ILE A 55 2.074 2.872 0.125 1.00 0.00 C ATOM 485 O ILE A 55 1.116 2.491 0.769 1.00 0.00 O ATOM 486 CB ILE A 55 3.950 1.406 -0.676 1.00 0.00 C ATOM 487 CG1 ILE A 55 4.478 0.596 -1.862 1.00 0.00 C ATOM 488 CG2 ILE A 55 3.746 0.478 0.523 1.00 0.00 C ATOM 489 CD1 ILE A 55 3.405 -0.395 -2.319 1.00 0.00 C ATOM 0 H ILE A 55 3.915 2.983 -2.470 1.00 0.00 H new ATOM 0 HA ILE A 55 1.858 1.314 -1.301 1.00 0.00 H new ATOM 0 HB ILE A 55 4.670 2.183 -0.418 1.00 0.00 H new ATOM 0 HG12 ILE A 55 4.745 1.263 -2.682 1.00 0.00 H new ATOM 0 HG13 ILE A 55 5.384 0.062 -1.577 1.00 0.00 H new ATOM 0 HG21 ILE A 55 4.696 0.015 0.791 1.00 0.00 H new ATOM 0 HG22 ILE A 55 3.371 1.054 1.369 1.00 0.00 H new ATOM 0 HG23 ILE A 55 3.025 -0.298 0.264 1.00 0.00 H new ATOM 0 HD11 ILE A 55 3.780 -0.973 -3.164 1.00 0.00 H new ATOM 0 HD12 ILE A 55 3.159 -1.069 -1.499 1.00 0.00 H new ATOM 0 HD13 ILE A 55 2.511 0.150 -2.620 1.00 0.00 H new ATOM 501 N GLY A 56 2.682 3.990 0.412 1.00 0.00 N ATOM 502 CA GLY A 56 2.194 4.840 1.536 1.00 0.00 C ATOM 503 C GLY A 56 0.712 5.166 1.338 1.00 0.00 C ATOM 504 O GLY A 56 -0.095 4.994 2.230 1.00 0.00 O ATOM 0 H GLY A 56 3.497 4.353 -0.083 1.00 0.00 H new ATOM 0 HA2 GLY A 56 2.338 4.322 2.484 1.00 0.00 H new ATOM 0 HA3 GLY A 56 2.774 5.761 1.585 1.00 0.00 H new ATOM 508 N LEU A 57 0.345 5.639 0.179 1.00 0.00 N ATOM 509 CA LEU A 57 -1.096 5.918 -0.088 1.00 0.00 C ATOM 510 C LEU A 57 -1.911 4.623 -0.023 1.00 0.00 C ATOM 511 O LEU A 57 -3.031 4.605 0.450 1.00 0.00 O ATOM 512 CB LEU A 57 -1.132 6.503 -1.500 1.00 0.00 C ATOM 513 CG LEU A 57 -2.304 7.478 -1.620 1.00 0.00 C ATOM 514 CD1 LEU A 57 -3.595 6.775 -1.197 1.00 0.00 C ATOM 515 CD2 LEU A 57 -2.059 8.684 -0.710 1.00 0.00 C ATOM 0 H LEU A 57 0.978 5.844 -0.594 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.526 6.599 0.647 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.195 7.016 -1.716 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.234 5.703 -2.234 1.00 0.00 H new ATOM 0 HG LEU A 57 -2.394 7.814 -2.653 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -4.432 7.469 -1.282 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -3.770 5.915 -1.843 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.505 6.440 -0.164 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -2.894 9.379 -0.795 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -1.970 8.348 0.323 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.138 9.184 -1.009 1.00 0.00 H new ATOM 527 N THR A 58 -1.361 3.540 -0.499 1.00 0.00 N ATOM 528 CA THR A 58 -2.104 2.247 -0.466 1.00 0.00 C ATOM 529 C THR A 58 -2.342 1.801 0.980 1.00 0.00 C ATOM 530 O THR A 58 -3.443 1.454 1.360 1.00 0.00 O ATOM 531 CB THR A 58 -1.191 1.250 -1.183 1.00 0.00 C ATOM 532 OG1 THR A 58 -0.917 1.720 -2.495 1.00 0.00 O ATOM 533 CG2 THR A 58 -1.880 -0.112 -1.258 1.00 0.00 C ATOM 0 H THR A 58 -0.429 3.494 -0.910 1.00 0.00 H new ATOM 0 HA THR A 58 -3.083 2.326 -0.938 1.00 0.00 H new ATOM 0 HB THR A 58 -0.256 1.150 -0.631 1.00 0.00 H new ATOM 0 HG1 THR A 58 0.009 2.036 -2.542 1.00 0.00 H new ATOM 0 HG21 THR A 58 -1.229 -0.821 -1.769 1.00 0.00 H new ATOM 0 HG22 THR A 58 -2.087 -0.471 -0.250 1.00 0.00 H new ATOM 0 HG23 THR A 58 -2.816 -0.017 -1.809 1.00 0.00 H new ATOM 541 N ILE A 59 -1.314 1.795 1.784 1.00 0.00 N ATOM 542 CA ILE A 59 -1.481 1.402 3.214 1.00 0.00 C ATOM 543 C ILE A 59 -2.340 2.424 3.967 1.00 0.00 C ATOM 544 O ILE A 59 -3.204 2.065 4.743 1.00 0.00 O ATOM 545 CB ILE A 59 -0.061 1.359 3.777 1.00 0.00 C ATOM 546 CG1 ILE A 59 0.739 0.280 3.043 1.00 0.00 C ATOM 547 CG2 ILE A 59 -0.111 1.024 5.269 1.00 0.00 C ATOM 548 CD1 ILE A 59 2.205 0.355 3.473 1.00 0.00 C ATOM 0 H ILE A 59 -0.363 2.046 1.513 1.00 0.00 H new ATOM 0 HA ILE A 59 -1.991 0.445 3.319 1.00 0.00 H new ATOM 0 HB ILE A 59 0.415 2.330 3.639 1.00 0.00 H new ATOM 0 HG12 ILE A 59 0.332 -0.706 3.268 1.00 0.00 H new ATOM 0 HG13 ILE A 59 0.657 0.421 1.965 1.00 0.00 H new ATOM 0 HG21 ILE A 59 0.902 0.994 5.669 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -0.686 1.787 5.794 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -0.585 0.052 5.408 1.00 0.00 H new ATOM 0 HD11 ILE A 59 2.777 -0.413 2.952 1.00 0.00 H new ATOM 0 HD12 ILE A 59 2.607 1.338 3.226 1.00 0.00 H new ATOM 0 HD13 ILE A 59 2.277 0.193 4.549 1.00 0.00 H new ATOM 560 N TYR A 60 -2.121 3.692 3.747 1.00 0.00 N ATOM 561 CA TYR A 60 -2.943 4.717 4.456 1.00 0.00 C ATOM 562 C TYR A 60 -4.424 4.533 4.102 1.00 0.00 C ATOM 563 O TYR A 60 -5.283 4.502 4.961 1.00 0.00 O ATOM 564 CB TYR A 60 -2.446 6.070 3.937 1.00 0.00 C ATOM 565 CG TYR A 60 -1.259 6.535 4.746 1.00 0.00 C ATOM 566 CD1 TYR A 60 -0.153 5.693 4.907 1.00 0.00 C ATOM 567 CD2 TYR A 60 -1.259 7.810 5.327 1.00 0.00 C ATOM 568 CE1 TYR A 60 0.953 6.125 5.649 1.00 0.00 C ATOM 569 CE2 TYR A 60 -0.153 8.241 6.070 1.00 0.00 C ATOM 570 CZ TYR A 60 0.953 7.398 6.230 1.00 0.00 C ATOM 571 OH TYR A 60 2.044 7.822 6.959 1.00 0.00 O ATOM 0 H TYR A 60 -1.414 4.062 3.112 1.00 0.00 H new ATOM 0 HA TYR A 60 -2.849 4.638 5.539 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -2.168 5.985 2.886 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -3.247 6.807 3.996 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -0.152 4.710 4.459 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -2.112 8.460 5.202 1.00 0.00 H new ATOM 0 HE1 TYR A 60 1.807 5.475 5.773 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -0.153 9.223 6.519 1.00 0.00 H new ATOM 0 HH TYR A 60 1.882 8.729 7.292 1.00 0.00 H new ATOM 581 N ALA A 61 -4.726 4.420 2.837 1.00 0.00 N ATOM 582 CA ALA A 61 -6.144 4.214 2.418 1.00 0.00 C ATOM 583 C ALA A 61 -6.714 2.929 3.023 1.00 0.00 C ATOM 584 O ALA A 61 -7.842 2.893 3.472 1.00 0.00 O ATOM 585 CB ALA A 61 -6.091 4.106 0.894 1.00 0.00 C ATOM 0 H ALA A 61 -4.051 4.461 2.073 1.00 0.00 H new ATOM 0 HA ALA A 61 -6.788 5.026 2.756 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -7.098 3.953 0.505 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -5.677 5.025 0.478 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -5.460 3.263 0.611 1.00 0.00 H new ATOM 591 N ILE A 62 -5.951 1.872 3.029 1.00 0.00 N ATOM 592 CA ILE A 62 -6.459 0.592 3.601 1.00 0.00 C ATOM 593 C ILE A 62 -6.736 0.736 5.100 1.00 0.00 C ATOM 594 O ILE A 62 -7.758 0.302 5.594 1.00 0.00 O ATOM 595 CB ILE A 62 -5.341 -0.418 3.356 1.00 0.00 C ATOM 596 CG1 ILE A 62 -5.230 -0.690 1.855 1.00 0.00 C ATOM 597 CG2 ILE A 62 -5.661 -1.721 4.089 1.00 0.00 C ATOM 598 CD1 ILE A 62 -3.899 -1.379 1.562 1.00 0.00 C ATOM 0 H ILE A 62 -4.999 1.838 2.664 1.00 0.00 H new ATOM 0 HA ILE A 62 -7.399 0.286 3.143 1.00 0.00 H new ATOM 0 HB ILE A 62 -4.397 -0.018 3.727 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -6.058 -1.318 1.526 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -5.299 0.245 1.299 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -4.863 -2.442 3.914 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -5.746 -1.526 5.158 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -6.603 -2.125 3.718 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -3.818 -1.574 0.493 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -3.078 -0.734 1.877 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -3.849 -2.321 2.107 1.00 0.00 H new ATOM 610 N GLN A 63 -5.837 1.336 5.831 1.00 0.00 N ATOM 611 CA GLN A 63 -6.067 1.511 7.295 1.00 0.00 C ATOM 612 C GLN A 63 -7.293 2.392 7.538 1.00 0.00 C ATOM 613 O GLN A 63 -8.098 2.126 8.407 1.00 0.00 O ATOM 614 CB GLN A 63 -4.805 2.192 7.821 1.00 0.00 C ATOM 615 CG GLN A 63 -4.871 2.273 9.347 1.00 0.00 C ATOM 616 CD GLN A 63 -3.676 3.072 9.868 1.00 0.00 C ATOM 617 OE1 GLN A 63 -3.551 4.248 9.593 1.00 0.00 O ATOM 618 NE2 GLN A 63 -2.785 2.477 10.613 1.00 0.00 N ATOM 0 H GLN A 63 -4.956 1.712 5.480 1.00 0.00 H new ATOM 0 HA GLN A 63 -6.254 0.562 7.796 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -3.921 1.633 7.513 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -4.714 3.192 7.396 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -5.802 2.748 9.657 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -4.866 1.271 9.775 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -2.891 1.489 10.844 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -1.983 3.000 10.965 1.00 0.00 H new ATOM 627 N ARG A 64 -7.442 3.440 6.777 1.00 0.00 N ATOM 628 CA ARG A 64 -8.618 4.335 6.970 1.00 0.00 C ATOM 629 C ARG A 64 -9.908 3.589 6.624 1.00 0.00 C ATOM 630 O ARG A 64 -10.845 3.557 7.396 1.00 0.00 O ATOM 631 CB ARG A 64 -8.394 5.495 6.002 1.00 0.00 C ATOM 632 CG ARG A 64 -9.504 6.529 6.185 1.00 0.00 C ATOM 633 CD ARG A 64 -9.284 7.691 5.215 1.00 0.00 C ATOM 634 NE ARG A 64 -9.538 7.115 3.867 1.00 0.00 N ATOM 635 CZ ARG A 64 -8.954 7.627 2.819 1.00 0.00 C ATOM 636 NH1 ARG A 64 -9.670 8.188 1.883 1.00 0.00 N ATOM 637 NH2 ARG A 64 -7.655 7.581 2.708 1.00 0.00 N ATOM 0 H ARG A 64 -6.803 3.715 6.032 1.00 0.00 H new ATOM 0 HA ARG A 64 -8.714 4.677 8.000 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -7.422 5.953 6.184 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -8.387 5.130 4.975 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -10.476 6.070 6.005 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -9.509 6.895 7.212 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -9.963 8.517 5.427 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -8.270 8.084 5.292 1.00 0.00 H new ATOM 0 HE ARG A 64 -10.169 6.320 3.762 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -10.685 8.226 1.971 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -9.214 8.589 1.063 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -7.096 7.145 3.441 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -7.199 7.981 1.888 1.00 0.00 H new ATOM 651 N LYS A 65 -9.962 2.987 5.467 1.00 0.00 N ATOM 652 CA LYS A 65 -11.178 2.213 5.087 1.00 0.00 C ATOM 653 C LYS A 65 -11.459 1.128 6.130 1.00 0.00 C ATOM 654 O LYS A 65 -12.569 0.978 6.600 1.00 0.00 O ATOM 655 CB LYS A 65 -10.843 1.592 3.730 1.00 0.00 C ATOM 656 CG LYS A 65 -10.674 2.705 2.693 1.00 0.00 C ATOM 657 CD LYS A 65 -12.011 3.414 2.473 1.00 0.00 C ATOM 658 CE LYS A 65 -11.893 4.363 1.277 1.00 0.00 C ATOM 659 NZ LYS A 65 -12.158 3.513 0.083 1.00 0.00 N ATOM 0 H LYS A 65 -9.218 2.998 4.769 1.00 0.00 H new ATOM 0 HA LYS A 65 -12.070 2.837 5.036 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -9.928 1.004 3.802 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -11.636 0.910 3.423 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -9.924 3.420 3.032 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -10.314 2.287 1.753 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -12.798 2.682 2.294 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -12.291 3.971 3.367 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -12.612 5.179 1.348 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -10.902 4.815 1.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -11.594 3.857 -0.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -11.897 2.528 0.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -13.168 3.559 -0.159 1.00 0.00 H new ATOM 673 N ARG A 66 -10.459 0.375 6.503 1.00 0.00 N ATOM 674 CA ARG A 66 -10.664 -0.672 7.545 1.00 0.00 C ATOM 675 C ARG A 66 -11.230 -0.034 8.818 1.00 0.00 C ATOM 676 O ARG A 66 -12.096 -0.583 9.469 1.00 0.00 O ATOM 677 CB ARG A 66 -9.274 -1.256 7.804 1.00 0.00 C ATOM 678 CG ARG A 66 -9.381 -2.405 8.810 1.00 0.00 C ATOM 679 CD ARG A 66 -7.995 -3.010 9.052 1.00 0.00 C ATOM 680 NE ARG A 66 -7.262 -1.991 9.857 1.00 0.00 N ATOM 681 CZ ARG A 66 -6.475 -2.368 10.828 1.00 0.00 C ATOM 682 NH1 ARG A 66 -6.776 -2.076 12.064 1.00 0.00 N ATOM 683 NH2 ARG A 66 -5.386 -3.037 10.562 1.00 0.00 N ATOM 0 H ARG A 66 -9.511 0.439 6.132 1.00 0.00 H new ATOM 0 HA ARG A 66 -11.370 -1.441 7.231 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -8.839 -1.615 6.871 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -8.609 -0.483 8.189 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -9.799 -2.041 9.749 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -10.061 -3.169 8.433 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -8.066 -3.958 9.586 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -7.483 -3.212 8.111 1.00 0.00 H new ATOM 0 HE ARG A 66 -7.376 -0.999 9.649 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -7.627 -1.553 12.272 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -6.161 -2.371 12.822 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -5.151 -3.265 9.596 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -4.771 -3.332 11.320 1.00 0.00 H new ATOM 697 N GLN A 67 -10.749 1.129 9.170 1.00 0.00 N ATOM 698 CA GLN A 67 -11.260 1.811 10.394 1.00 0.00 C ATOM 699 C GLN A 67 -10.953 3.309 10.321 1.00 0.00 C ATOM 700 O GLN A 67 -9.942 3.720 9.787 1.00 0.00 O ATOM 701 CB GLN A 67 -10.506 1.165 11.557 1.00 0.00 C ATOM 702 CG GLN A 67 -11.186 1.538 12.877 1.00 0.00 C ATOM 703 CD GLN A 67 -10.406 0.929 14.044 1.00 0.00 C ATOM 704 OE1 GLN A 67 -9.506 0.138 13.841 1.00 0.00 O ATOM 705 NE2 GLN A 67 -10.716 1.265 15.266 1.00 0.00 N ATOM 0 H GLN A 67 -10.024 1.636 8.662 1.00 0.00 H new ATOM 0 HA GLN A 67 -12.339 1.708 10.506 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -10.490 0.082 11.437 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -9.469 1.500 11.563 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -11.230 2.622 12.982 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -12.214 1.175 12.884 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -11.471 1.929 15.436 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -10.203 0.864 16.051 1.00 0.00 H new ATOM 714 N ALA A 68 -11.819 4.130 10.848 1.00 0.00 N ATOM 715 CA ALA A 68 -11.575 5.600 10.797 1.00 0.00 C ATOM 716 C ALA A 68 -11.429 6.168 12.212 1.00 0.00 C ATOM 717 O ALA A 68 -11.808 7.290 12.482 1.00 0.00 O ATOM 718 CB ALA A 68 -12.812 6.180 10.113 1.00 0.00 C ATOM 0 H ALA A 68 -12.683 3.848 11.311 1.00 0.00 H new ATOM 0 HA ALA A 68 -10.657 5.846 10.263 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -12.711 7.263 10.036 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -12.910 5.753 9.115 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -13.699 5.939 10.699 1.00 0.00 H new ATOM 724 N ASP A 69 -10.880 5.403 13.115 1.00 0.00 N ATOM 725 CA ASP A 69 -10.710 5.903 14.510 1.00 0.00 C ATOM 726 C ASP A 69 -12.073 6.240 15.120 1.00 0.00 C ATOM 727 O ASP A 69 -12.260 7.287 15.708 1.00 0.00 O ATOM 728 CB ASP A 69 -9.855 7.164 14.377 1.00 0.00 C ATOM 729 CG ASP A 69 -9.184 7.471 15.717 1.00 0.00 C ATOM 730 OD1 ASP A 69 -9.176 6.596 16.567 1.00 0.00 O ATOM 731 OD2 ASP A 69 -8.689 8.575 15.869 1.00 0.00 O ATOM 0 H ASP A 69 -10.542 4.455 12.949 1.00 0.00 H new ATOM 0 HA ASP A 69 -10.245 5.162 15.161 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -9.100 7.024 13.604 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -10.475 8.005 14.068 1.00 0.00 H new TER 736 ASP A 69