USER MOD reduce.3.24.130724 H: found=0, std=0, add=621, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 621 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 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -177:sc= 0 (180deg=-0.00734) USER MOD Single : A 4 THR OG1 : rot 81:sc= 1.14 USER MOD Single : A 5 GLN : amide:sc= 0 K(o=0,f=-0.5) USER MOD Single : A 17 ASN : amide:sc= 0.545 K(o=0.54,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 169:sc=-0.00999 (180deg=-0.165) USER MOD Single : A 31 LYS NZ :NH3+ 142:sc= 0.412 (180deg=-1.84!) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.00258 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot -170:sc= -1.65! USER MOD Single : A 44 MET CE :methyl -177:sc= -4.62! (180deg=-4.7!) USER MOD Single : A 58 LYS NZ :NH3+ -121:sc= 1.23 (180deg=-1.41) USER MOD Single : A 65 LYS NZ :NH3+ 141:sc= 1.27 (180deg=1.04) USER MOD Single : A 66 ASN : amide:sc= 0.355 K(o=0.36,f=-0.46) USER MOD Single : A 68 LYS NZ :NH3+ 167:sc= 1.09 (180deg=0.97) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.718 USER MOD Single : A 74 THR OG1 : rot 89:sc= 1.29 USER MOD Single : A 75 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0125) USER MOD Single : A 76 TYR OH : rot 87:sc= 0.774 USER MOD Single : A 80 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 81 GLN :FLIP amide:sc= -0.863 F(o=-1.5,f=-0.86) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -16.485 -8.368 -3.265 1.00 0.00 N ATOM 2 CA MET A 1 -16.051 -7.265 -4.152 1.00 0.00 C ATOM 3 C MET A 1 -14.986 -6.428 -3.465 1.00 0.00 C ATOM 4 O MET A 1 -13.972 -6.083 -4.067 1.00 0.00 O ATOM 5 CB MET A 1 -17.238 -6.382 -4.533 1.00 0.00 C ATOM 6 CG MET A 1 -16.892 -5.298 -5.543 1.00 0.00 C ATOM 7 SD MET A 1 -16.254 -5.973 -7.092 1.00 0.00 S ATOM 8 CE MET A 1 -15.931 -4.466 -8.009 1.00 0.00 C ATOM 0 H1 MET A 1 -17.176 -8.964 -3.764 1.00 0.00 H new ATOM 0 H2 MET A 1 -15.661 -8.944 -2.998 1.00 0.00 H new ATOM 0 H3 MET A 1 -16.923 -7.973 -2.409 1.00 0.00 H new ATOM 0 HA MET A 1 -15.633 -7.700 -5.060 1.00 0.00 H new ATOM 0 HB2 MET A 1 -18.030 -7.009 -4.943 1.00 0.00 H new ATOM 0 HB3 MET A 1 -17.636 -5.914 -3.632 1.00 0.00 H new ATOM 0 HG2 MET A 1 -17.781 -4.701 -5.749 1.00 0.00 H new ATOM 0 HG3 MET A 1 -16.150 -4.626 -5.110 1.00 0.00 H new ATOM 0 HE1 MET A 1 -15.531 -4.717 -8.992 1.00 0.00 H new ATOM 0 HE2 MET A 1 -16.859 -3.906 -8.127 1.00 0.00 H new ATOM 0 HE3 MET A 1 -15.206 -3.858 -7.467 1.00 0.00 H new ATOM 20 N ALA A 2 -15.231 -6.088 -2.203 1.00 0.00 N ATOM 21 CA ALA A 2 -14.245 -5.383 -1.406 1.00 0.00 C ATOM 22 C ALA A 2 -13.081 -6.311 -1.095 1.00 0.00 C ATOM 23 O ALA A 2 -13.277 -7.418 -0.595 1.00 0.00 O ATOM 24 CB ALA A 2 -14.867 -4.845 -0.123 1.00 0.00 C ATOM 0 H ALA A 2 -16.104 -6.291 -1.715 1.00 0.00 H new ATOM 0 HA ALA A 2 -13.875 -4.531 -1.976 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -14.108 -4.321 0.457 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -15.674 -4.156 -0.371 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -15.264 -5.673 0.464 1.00 0.00 H new ATOM 30 N ALA A 3 -11.878 -5.859 -1.403 1.00 0.00 N ATOM 31 CA ALA A 3 -10.692 -6.678 -1.251 1.00 0.00 C ATOM 32 C ALA A 3 -10.289 -6.760 0.205 1.00 0.00 C ATOM 33 O ALA A 3 -9.979 -5.745 0.834 1.00 0.00 O ATOM 34 CB ALA A 3 -9.554 -6.122 -2.096 1.00 0.00 C ATOM 0 H ALA A 3 -11.698 -4.922 -1.762 1.00 0.00 H new ATOM 0 HA ALA A 3 -10.917 -7.686 -1.599 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -8.670 -6.747 -1.972 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -9.849 -6.115 -3.145 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -9.327 -5.105 -1.777 1.00 0.00 H new ATOM 40 N THR A 4 -10.326 -7.964 0.744 1.00 0.00 N ATOM 41 CA THR A 4 -9.913 -8.184 2.115 1.00 0.00 C ATOM 42 C THR A 4 -8.394 -8.282 2.180 1.00 0.00 C ATOM 43 O THR A 4 -7.735 -8.228 1.143 1.00 0.00 O ATOM 44 CB THR A 4 -10.552 -9.455 2.705 1.00 0.00 C ATOM 45 OG1 THR A 4 -11.677 -9.857 1.912 1.00 0.00 O ATOM 46 CG2 THR A 4 -11.009 -9.184 4.127 1.00 0.00 C ATOM 0 H THR A 4 -10.637 -8.802 0.254 1.00 0.00 H new ATOM 0 HA THR A 4 -10.254 -7.338 2.712 1.00 0.00 H new ATOM 0 HB THR A 4 -9.811 -10.254 2.704 1.00 0.00 H new ATOM 0 HG1 THR A 4 -11.363 -10.352 1.127 1.00 0.00 H new ATOM 0 HG21 THR A 4 -11.461 -10.085 4.542 1.00 0.00 H new ATOM 0 HG22 THR A 4 -10.152 -8.894 4.736 1.00 0.00 H new ATOM 0 HG23 THR A 4 -11.743 -8.378 4.126 1.00 0.00 H new ATOM 54 N GLN A 5 -7.843 -8.441 3.381 1.00 0.00 N ATOM 55 CA GLN A 5 -6.405 -8.374 3.591 1.00 0.00 C ATOM 56 C GLN A 5 -5.629 -9.256 2.608 1.00 0.00 C ATOM 57 O GLN A 5 -4.733 -8.776 1.931 1.00 0.00 O ATOM 58 CB GLN A 5 -6.084 -8.766 5.026 1.00 0.00 C ATOM 59 CG GLN A 5 -4.599 -8.847 5.312 1.00 0.00 C ATOM 60 CD GLN A 5 -4.300 -9.204 6.748 1.00 0.00 C ATOM 61 OE1 GLN A 5 -5.019 -8.815 7.667 1.00 0.00 O ATOM 62 NE2 GLN A 5 -3.264 -9.988 6.936 1.00 0.00 N ATOM 0 H GLN A 5 -8.380 -8.619 4.230 1.00 0.00 H new ATOM 0 HA GLN A 5 -6.089 -7.347 3.408 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -6.537 -8.041 5.702 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -6.541 -9.732 5.241 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -4.147 -9.591 4.656 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -4.135 -7.889 5.076 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -2.698 -10.284 6.141 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -3.026 -10.301 7.877 1.00 0.00 H new ATOM 71 N GLU A 6 -5.987 -10.534 2.526 1.00 0.00 N ATOM 72 CA GLU A 6 -5.320 -11.467 1.611 1.00 0.00 C ATOM 73 C GLU A 6 -5.349 -10.955 0.164 1.00 0.00 C ATOM 74 O GLU A 6 -4.319 -10.894 -0.517 1.00 0.00 O ATOM 75 CB GLU A 6 -5.977 -12.855 1.703 1.00 0.00 C ATOM 76 CG GLU A 6 -7.497 -12.829 1.579 1.00 0.00 C ATOM 77 CD GLU A 6 -8.123 -14.209 1.608 1.00 0.00 C ATOM 78 OE1 GLU A 6 -8.236 -14.792 2.706 1.00 0.00 O ATOM 79 OE2 GLU A 6 -8.527 -14.705 0.536 1.00 0.00 O ATOM 0 H GLU A 6 -6.735 -10.951 3.080 1.00 0.00 H new ATOM 0 HA GLU A 6 -4.275 -11.545 1.912 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -5.569 -13.492 0.918 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -5.708 -13.311 2.656 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -7.911 -12.232 2.392 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -7.771 -12.333 0.648 1.00 0.00 H new ATOM 86 N GLU A 7 -6.528 -10.555 -0.276 1.00 0.00 N ATOM 87 CA GLU A 7 -6.741 -10.114 -1.645 1.00 0.00 C ATOM 88 C GLU A 7 -5.991 -8.816 -1.930 1.00 0.00 C ATOM 89 O GLU A 7 -5.264 -8.709 -2.922 1.00 0.00 O ATOM 90 CB GLU A 7 -8.228 -9.888 -1.873 1.00 0.00 C ATOM 91 CG GLU A 7 -9.083 -11.107 -1.570 1.00 0.00 C ATOM 92 CD GLU A 7 -10.564 -10.797 -1.596 1.00 0.00 C ATOM 93 OE1 GLU A 7 -11.064 -10.229 -0.602 1.00 0.00 O ATOM 94 OE2 GLU A 7 -11.228 -11.123 -2.603 1.00 0.00 O ATOM 0 H GLU A 7 -7.366 -10.526 0.305 1.00 0.00 H new ATOM 0 HA GLU A 7 -6.364 -10.886 -2.316 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -8.560 -9.058 -1.250 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -8.387 -9.592 -2.910 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -8.866 -11.889 -2.298 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -8.815 -11.500 -0.590 1.00 0.00 H new ATOM 101 N ILE A 8 -6.183 -7.834 -1.055 1.00 0.00 N ATOM 102 CA ILE A 8 -5.584 -6.517 -1.229 1.00 0.00 C ATOM 103 C ILE A 8 -4.070 -6.588 -1.093 1.00 0.00 C ATOM 104 O ILE A 8 -3.351 -5.874 -1.782 1.00 0.00 O ATOM 105 CB ILE A 8 -6.140 -5.495 -0.214 1.00 0.00 C ATOM 106 CG1 ILE A 8 -5.666 -4.083 -0.567 1.00 0.00 C ATOM 107 CG2 ILE A 8 -5.729 -5.860 1.205 1.00 0.00 C ATOM 108 CD1 ILE A 8 -5.912 -3.078 0.525 1.00 0.00 C ATOM 0 H ILE A 8 -6.752 -7.927 -0.214 1.00 0.00 H new ATOM 0 HA ILE A 8 -5.843 -6.182 -2.233 1.00 0.00 H new ATOM 0 HB ILE A 8 -7.229 -5.519 -0.266 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -4.600 -4.111 -0.791 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -6.173 -3.754 -1.474 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -6.133 -5.125 1.901 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -6.118 -6.847 1.454 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -4.641 -5.869 1.278 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -5.552 -2.100 0.207 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -6.980 -3.021 0.733 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -5.382 -3.384 1.427 1.00 0.00 H new ATOM 120 N VAL A 9 -3.593 -7.457 -0.207 1.00 0.00 N ATOM 121 CA VAL A 9 -2.164 -7.650 -0.010 1.00 0.00 C ATOM 122 C VAL A 9 -1.508 -8.111 -1.304 1.00 0.00 C ATOM 123 O VAL A 9 -0.396 -7.698 -1.625 1.00 0.00 O ATOM 124 CB VAL A 9 -1.893 -8.649 1.145 1.00 0.00 C ATOM 125 CG1 VAL A 9 -0.617 -9.452 0.926 1.00 0.00 C ATOM 126 CG2 VAL A 9 -1.808 -7.902 2.467 1.00 0.00 C ATOM 0 H VAL A 9 -4.181 -8.041 0.388 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.722 -6.694 0.272 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.725 -9.353 1.167 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -0.470 -10.137 1.761 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.700 -10.021 -0.000 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.233 -8.773 0.860 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -1.618 -8.610 3.273 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -0.997 -7.175 2.423 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -2.749 -7.384 2.653 1.00 0.00 H new ATOM 136 N ALA A 10 -2.221 -8.925 -2.070 1.00 0.00 N ATOM 137 CA ALA A 10 -1.709 -9.377 -3.362 1.00 0.00 C ATOM 138 C ALA A 10 -1.640 -8.216 -4.350 1.00 0.00 C ATOM 139 O ALA A 10 -0.653 -8.055 -5.070 1.00 0.00 O ATOM 140 CB ALA A 10 -2.566 -10.493 -3.928 1.00 0.00 C ATOM 0 H ALA A 10 -3.144 -9.284 -1.826 1.00 0.00 H new ATOM 0 HA ALA A 10 -0.702 -9.764 -3.204 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -2.162 -10.810 -4.890 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -2.566 -11.337 -3.238 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -3.587 -10.135 -4.063 1.00 0.00 H new ATOM 146 N GLY A 11 -2.691 -7.404 -4.362 1.00 0.00 N ATOM 147 CA GLY A 11 -2.736 -6.253 -5.241 1.00 0.00 C ATOM 148 C GLY A 11 -1.722 -5.199 -4.841 1.00 0.00 C ATOM 149 O GLY A 11 -1.052 -4.613 -5.690 1.00 0.00 O ATOM 0 H GLY A 11 -3.516 -7.524 -3.775 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -2.545 -6.571 -6.266 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -3.736 -5.820 -5.223 1.00 0.00 H new ATOM 153 N LEU A 12 -1.618 -4.965 -3.539 1.00 0.00 N ATOM 154 CA LEU A 12 -0.658 -4.017 -2.988 1.00 0.00 C ATOM 155 C LEU A 12 0.760 -4.486 -3.303 1.00 0.00 C ATOM 156 O LEU A 12 1.607 -3.697 -3.719 1.00 0.00 O ATOM 157 CB LEU A 12 -0.859 -3.901 -1.470 1.00 0.00 C ATOM 158 CG LEU A 12 -0.701 -2.496 -0.864 1.00 0.00 C ATOM 159 CD1 LEU A 12 0.709 -1.964 -1.051 1.00 0.00 C ATOM 160 CD2 LEU A 12 -1.709 -1.530 -1.473 1.00 0.00 C ATOM 0 H LEU A 12 -2.196 -5.426 -2.836 1.00 0.00 H new ATOM 0 HA LEU A 12 -0.813 -3.036 -3.437 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -1.857 -4.267 -1.229 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.148 -4.566 -0.980 1.00 0.00 H new ATOM 0 HG LEU A 12 -0.892 -2.579 0.206 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.784 -0.970 -0.611 1.00 0.00 H new ATOM 0 HD12 LEU A 12 1.418 -2.632 -0.562 1.00 0.00 H new ATOM 0 HD13 LEU A 12 0.939 -1.908 -2.115 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.580 -0.542 -1.030 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.550 -1.469 -2.550 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -2.720 -1.887 -1.276 1.00 0.00 H new ATOM 172 N ALA A 13 0.994 -5.786 -3.121 1.00 0.00 N ATOM 173 CA ALA A 13 2.277 -6.407 -3.438 1.00 0.00 C ATOM 174 C ALA A 13 2.673 -6.141 -4.879 1.00 0.00 C ATOM 175 O ALA A 13 3.756 -5.622 -5.148 1.00 0.00 O ATOM 176 CB ALA A 13 2.202 -7.905 -3.200 1.00 0.00 C ATOM 0 H ALA A 13 0.300 -6.435 -2.750 1.00 0.00 H new ATOM 0 HA ALA A 13 3.033 -5.970 -2.786 1.00 0.00 H new ATOM 0 HB1 ALA A 13 3.163 -8.360 -3.439 1.00 0.00 H new ATOM 0 HB2 ALA A 13 1.960 -8.096 -2.154 1.00 0.00 H new ATOM 0 HB3 ALA A 13 1.429 -8.336 -3.836 1.00 0.00 H new ATOM 182 N GLU A 14 1.778 -6.497 -5.792 1.00 0.00 N ATOM 183 CA GLU A 14 1.985 -6.282 -7.216 1.00 0.00 C ATOM 184 C GLU A 14 2.339 -4.823 -7.492 1.00 0.00 C ATOM 185 O GLU A 14 3.245 -4.521 -8.268 1.00 0.00 O ATOM 186 CB GLU A 14 0.711 -6.653 -7.969 1.00 0.00 C ATOM 187 CG GLU A 14 0.827 -6.477 -9.474 1.00 0.00 C ATOM 188 CD GLU A 14 -0.466 -6.769 -10.204 1.00 0.00 C ATOM 189 OE1 GLU A 14 -1.501 -6.166 -9.852 1.00 0.00 O ATOM 190 OE2 GLU A 14 -0.450 -7.593 -11.141 1.00 0.00 O ATOM 0 H GLU A 14 0.889 -6.943 -5.565 1.00 0.00 H new ATOM 0 HA GLU A 14 2.811 -6.908 -7.553 1.00 0.00 H new ATOM 0 HB2 GLU A 14 0.458 -7.690 -7.750 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -0.111 -6.040 -7.601 1.00 0.00 H new ATOM 0 HG2 GLU A 14 1.138 -5.455 -9.692 1.00 0.00 H new ATOM 0 HG3 GLU A 14 1.608 -7.136 -9.852 1.00 0.00 H new ATOM 197 N ILE A 15 1.615 -3.936 -6.833 1.00 0.00 N ATOM 198 CA ILE A 15 1.796 -2.504 -6.984 1.00 0.00 C ATOM 199 C ILE A 15 3.190 -2.047 -6.548 1.00 0.00 C ATOM 200 O ILE A 15 3.903 -1.397 -7.311 1.00 0.00 O ATOM 201 CB ILE A 15 0.710 -1.760 -6.178 1.00 0.00 C ATOM 202 CG1 ILE A 15 -0.601 -1.716 -6.970 1.00 0.00 C ATOM 203 CG2 ILE A 15 1.158 -0.367 -5.772 1.00 0.00 C ATOM 204 CD1 ILE A 15 -0.532 -0.911 -8.253 1.00 0.00 C ATOM 0 H ILE A 15 0.880 -4.191 -6.174 1.00 0.00 H new ATOM 0 HA ILE A 15 1.700 -2.264 -8.043 1.00 0.00 H new ATOM 0 HB ILE A 15 0.539 -2.315 -5.255 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -0.900 -2.736 -7.211 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -1.381 -1.297 -6.334 1.00 0.00 H new ATOM 0 HG21 ILE A 15 0.363 0.120 -5.207 1.00 0.00 H new ATOM 0 HG22 ILE A 15 2.052 -0.438 -5.153 1.00 0.00 H new ATOM 0 HG23 ILE A 15 1.380 0.218 -6.664 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -1.502 -0.933 -8.749 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -0.266 0.120 -8.021 1.00 0.00 H new ATOM 0 HD13 ILE A 15 0.222 -1.341 -8.912 1.00 0.00 H new ATOM 216 N VAL A 16 3.585 -2.390 -5.331 1.00 0.00 N ATOM 217 CA VAL A 16 4.866 -1.936 -4.804 1.00 0.00 C ATOM 218 C VAL A 16 6.018 -2.632 -5.519 1.00 0.00 C ATOM 219 O VAL A 16 7.144 -2.126 -5.552 1.00 0.00 O ATOM 220 CB VAL A 16 4.980 -2.170 -3.288 1.00 0.00 C ATOM 221 CG1 VAL A 16 6.189 -1.437 -2.725 1.00 0.00 C ATOM 222 CG2 VAL A 16 3.711 -1.731 -2.583 1.00 0.00 C ATOM 0 H VAL A 16 3.044 -2.975 -4.694 1.00 0.00 H new ATOM 0 HA VAL A 16 4.923 -0.863 -4.985 1.00 0.00 H new ATOM 0 HB VAL A 16 5.115 -3.238 -3.114 1.00 0.00 H new ATOM 0 HG11 VAL A 16 6.254 -1.614 -1.651 1.00 0.00 H new ATOM 0 HG12 VAL A 16 7.094 -1.804 -3.209 1.00 0.00 H new ATOM 0 HG13 VAL A 16 6.086 -0.368 -2.911 1.00 0.00 H new ATOM 0 HG21 VAL A 16 3.811 -1.905 -1.512 1.00 0.00 H new ATOM 0 HG22 VAL A 16 3.543 -0.669 -2.764 1.00 0.00 H new ATOM 0 HG23 VAL A 16 2.866 -2.303 -2.966 1.00 0.00 H new ATOM 232 N ASN A 17 5.733 -3.794 -6.086 1.00 0.00 N ATOM 233 CA ASN A 17 6.724 -4.531 -6.855 1.00 0.00 C ATOM 234 C ASN A 17 7.191 -3.698 -8.050 1.00 0.00 C ATOM 235 O ASN A 17 8.333 -3.819 -8.491 1.00 0.00 O ATOM 236 CB ASN A 17 6.152 -5.875 -7.319 1.00 0.00 C ATOM 237 CG ASN A 17 7.228 -6.849 -7.770 1.00 0.00 C ATOM 238 OD1 ASN A 17 7.582 -6.910 -8.950 1.00 0.00 O ATOM 239 ND2 ASN A 17 7.748 -7.630 -6.832 1.00 0.00 N ATOM 0 H ASN A 17 4.821 -4.248 -6.028 1.00 0.00 H new ATOM 0 HA ASN A 17 7.585 -4.731 -6.217 1.00 0.00 H new ATOM 0 HB2 ASN A 17 5.582 -6.322 -6.505 1.00 0.00 H new ATOM 0 HB3 ASN A 17 5.456 -5.704 -8.140 1.00 0.00 H new ATOM 0 HD21 ASN A 17 8.467 -8.311 -7.076 1.00 0.00 H new ATOM 0 HD22 ASN A 17 7.429 -7.549 -5.867 1.00 0.00 H new ATOM 246 N GLU A 18 6.308 -2.832 -8.555 1.00 0.00 N ATOM 247 CA GLU A 18 6.677 -1.912 -9.627 1.00 0.00 C ATOM 248 C GLU A 18 7.607 -0.833 -9.098 1.00 0.00 C ATOM 249 O GLU A 18 8.602 -0.487 -9.733 1.00 0.00 O ATOM 250 CB GLU A 18 5.442 -1.245 -10.251 1.00 0.00 C ATOM 251 CG GLU A 18 5.787 -0.381 -11.455 1.00 0.00 C ATOM 252 CD GLU A 18 4.572 0.120 -12.207 1.00 0.00 C ATOM 253 OE1 GLU A 18 3.875 1.018 -11.698 1.00 0.00 O ATOM 254 OE2 GLU A 18 4.325 -0.374 -13.328 1.00 0.00 O ATOM 0 H GLU A 18 5.341 -2.751 -8.240 1.00 0.00 H new ATOM 0 HA GLU A 18 7.183 -2.497 -10.396 1.00 0.00 H new ATOM 0 HB2 GLU A 18 4.732 -2.015 -10.553 1.00 0.00 H new ATOM 0 HB3 GLU A 18 4.946 -0.631 -9.499 1.00 0.00 H new ATOM 0 HG2 GLU A 18 6.376 0.473 -11.122 1.00 0.00 H new ATOM 0 HG3 GLU A 18 6.415 -0.955 -12.136 1.00 0.00 H new ATOM 261 N ILE A 19 7.276 -0.313 -7.927 1.00 0.00 N ATOM 262 CA ILE A 19 8.024 0.780 -7.337 1.00 0.00 C ATOM 263 C ILE A 19 9.440 0.349 -6.982 1.00 0.00 C ATOM 264 O ILE A 19 10.416 0.984 -7.382 1.00 0.00 O ATOM 265 CB ILE A 19 7.337 1.302 -6.064 1.00 0.00 C ATOM 266 CG1 ILE A 19 5.862 1.612 -6.333 1.00 0.00 C ATOM 267 CG2 ILE A 19 8.060 2.534 -5.559 1.00 0.00 C ATOM 268 CD1 ILE A 19 5.147 2.277 -5.173 1.00 0.00 C ATOM 0 H ILE A 19 6.488 -0.635 -7.365 1.00 0.00 H new ATOM 0 HA ILE A 19 8.061 1.575 -8.082 1.00 0.00 H new ATOM 0 HB ILE A 19 7.382 0.528 -5.297 1.00 0.00 H new ATOM 0 HG12 ILE A 19 5.791 2.258 -7.208 1.00 0.00 H new ATOM 0 HG13 ILE A 19 5.346 0.684 -6.580 1.00 0.00 H new ATOM 0 HG21 ILE A 19 7.569 2.900 -4.657 1.00 0.00 H new ATOM 0 HG22 ILE A 19 9.095 2.281 -5.331 1.00 0.00 H new ATOM 0 HG23 ILE A 19 8.036 3.309 -6.325 1.00 0.00 H new ATOM 0 HD11 ILE A 19 4.108 2.463 -5.444 1.00 0.00 H new ATOM 0 HD12 ILE A 19 5.183 1.624 -4.301 1.00 0.00 H new ATOM 0 HD13 ILE A 19 5.635 3.223 -4.939 1.00 0.00 H new ATOM 280 N ALA A 20 9.543 -0.739 -6.240 1.00 0.00 N ATOM 281 CA ALA A 20 10.829 -1.224 -5.784 1.00 0.00 C ATOM 282 C ALA A 20 11.013 -2.695 -6.137 1.00 0.00 C ATOM 283 O ALA A 20 11.736 -3.021 -7.078 1.00 0.00 O ATOM 284 CB ALA A 20 10.981 -0.997 -4.294 1.00 0.00 C ATOM 0 H ALA A 20 8.748 -1.303 -5.941 1.00 0.00 H new ATOM 0 HA ALA A 20 11.610 -0.661 -6.296 1.00 0.00 H new ATOM 0 HB1 ALA A 20 11.953 -1.367 -3.967 1.00 0.00 H new ATOM 0 HB2 ALA A 20 10.907 0.069 -4.079 1.00 0.00 H new ATOM 0 HB3 ALA A 20 10.192 -1.530 -3.763 1.00 0.00 H new ATOM 290 N GLY A 21 10.366 -3.585 -5.392 1.00 0.00 N ATOM 291 CA GLY A 21 10.419 -4.990 -5.742 1.00 0.00 C ATOM 292 C GLY A 21 10.377 -5.932 -4.556 1.00 0.00 C ATOM 293 O GLY A 21 11.228 -6.814 -4.435 1.00 0.00 O ATOM 0 H GLY A 21 9.814 -3.362 -4.564 1.00 0.00 H new ATOM 0 HA2 GLY A 21 9.583 -5.219 -6.403 1.00 0.00 H new ATOM 0 HA3 GLY A 21 11.332 -5.177 -6.307 1.00 0.00 H new ATOM 297 N ILE A 22 9.402 -5.754 -3.674 1.00 0.00 N ATOM 298 CA ILE A 22 9.132 -6.753 -2.649 1.00 0.00 C ATOM 299 C ILE A 22 8.303 -7.876 -3.273 1.00 0.00 C ATOM 300 O ILE A 22 7.261 -7.607 -3.880 1.00 0.00 O ATOM 301 CB ILE A 22 8.373 -6.164 -1.418 1.00 0.00 C ATOM 302 CG1 ILE A 22 9.308 -5.369 -0.491 1.00 0.00 C ATOM 303 CG2 ILE A 22 7.687 -7.265 -0.625 1.00 0.00 C ATOM 304 CD1 ILE A 22 10.433 -6.190 0.104 1.00 0.00 C ATOM 0 H ILE A 22 8.792 -4.937 -3.647 1.00 0.00 H new ATOM 0 HA ILE A 22 10.088 -7.126 -2.282 1.00 0.00 H new ATOM 0 HB ILE A 22 7.621 -5.480 -1.811 1.00 0.00 H new ATOM 0 HG12 ILE A 22 9.736 -4.537 -1.051 1.00 0.00 H new ATOM 0 HG13 ILE A 22 8.719 -4.938 0.319 1.00 0.00 H new ATOM 0 HG21 ILE A 22 7.166 -6.829 0.227 1.00 0.00 H new ATOM 0 HG22 ILE A 22 6.970 -7.781 -1.264 1.00 0.00 H new ATOM 0 HG23 ILE A 22 8.433 -7.976 -0.269 1.00 0.00 H new ATOM 0 HD11 ILE A 22 11.046 -5.556 0.745 1.00 0.00 H new ATOM 0 HD12 ILE A 22 10.015 -7.006 0.693 1.00 0.00 H new ATOM 0 HD13 ILE A 22 11.048 -6.599 -0.697 1.00 0.00 H new ATOM 316 N PRO A 23 8.775 -9.136 -3.174 1.00 0.00 N ATOM 317 CA PRO A 23 8.033 -10.299 -3.663 1.00 0.00 C ATOM 318 C PRO A 23 6.620 -10.344 -3.088 1.00 0.00 C ATOM 319 O PRO A 23 6.396 -9.937 -1.949 1.00 0.00 O ATOM 320 CB PRO A 23 8.854 -11.508 -3.183 1.00 0.00 C ATOM 321 CG PRO A 23 9.875 -10.966 -2.237 1.00 0.00 C ATOM 322 CD PRO A 23 10.069 -9.519 -2.593 1.00 0.00 C ATOM 0 HA PRO A 23 7.911 -10.277 -4.746 1.00 0.00 H new ATOM 0 HB2 PRO A 23 8.216 -12.241 -2.690 1.00 0.00 H new ATOM 0 HB3 PRO A 23 9.330 -12.014 -4.023 1.00 0.00 H new ATOM 0 HG2 PRO A 23 9.540 -11.069 -1.205 1.00 0.00 H new ATOM 0 HG3 PRO A 23 10.813 -11.515 -2.324 1.00 0.00 H new ATOM 0 HD2 PRO A 23 10.310 -8.918 -1.716 1.00 0.00 H new ATOM 0 HD3 PRO A 23 10.884 -9.386 -3.304 1.00 0.00 H new ATOM 330 N VAL A 24 5.681 -10.858 -3.871 1.00 0.00 N ATOM 331 CA VAL A 24 4.263 -10.810 -3.516 1.00 0.00 C ATOM 332 C VAL A 24 3.965 -11.559 -2.214 1.00 0.00 C ATOM 333 O VAL A 24 3.061 -11.191 -1.467 1.00 0.00 O ATOM 334 CB VAL A 24 3.368 -11.359 -4.653 1.00 0.00 C ATOM 335 CG1 VAL A 24 3.505 -10.500 -5.899 1.00 0.00 C ATOM 336 CG2 VAL A 24 3.695 -12.815 -4.965 1.00 0.00 C ATOM 0 H VAL A 24 5.874 -11.316 -4.762 1.00 0.00 H new ATOM 0 HA VAL A 24 4.027 -9.757 -3.363 1.00 0.00 H new ATOM 0 HB VAL A 24 2.333 -11.318 -4.313 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.869 -10.900 -6.689 1.00 0.00 H new ATOM 0 HG12 VAL A 24 3.202 -9.478 -5.672 1.00 0.00 H new ATOM 0 HG13 VAL A 24 4.543 -10.505 -6.232 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.048 -13.169 -5.768 1.00 0.00 H new ATOM 0 HG22 VAL A 24 4.737 -12.895 -5.276 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.534 -13.423 -4.075 1.00 0.00 H new ATOM 346 N GLU A 25 4.739 -12.599 -1.938 1.00 0.00 N ATOM 347 CA GLU A 25 4.556 -13.389 -0.726 1.00 0.00 C ATOM 348 C GLU A 25 5.191 -12.705 0.488 1.00 0.00 C ATOM 349 O GLU A 25 4.873 -13.028 1.633 1.00 0.00 O ATOM 350 CB GLU A 25 5.128 -14.799 -0.915 1.00 0.00 C ATOM 351 CG GLU A 25 6.569 -14.821 -1.401 1.00 0.00 C ATOM 352 CD GLU A 25 7.101 -16.230 -1.570 1.00 0.00 C ATOM 353 OE1 GLU A 25 6.646 -16.941 -2.494 1.00 0.00 O ATOM 354 OE2 GLU A 25 7.974 -16.640 -0.778 1.00 0.00 O ATOM 0 H GLU A 25 5.501 -12.917 -2.537 1.00 0.00 H new ATOM 0 HA GLU A 25 3.486 -13.470 -0.537 1.00 0.00 H new ATOM 0 HB2 GLU A 25 5.066 -15.335 0.032 1.00 0.00 H new ATOM 0 HB3 GLU A 25 4.506 -15.340 -1.628 1.00 0.00 H new ATOM 0 HG2 GLU A 25 6.637 -14.294 -2.353 1.00 0.00 H new ATOM 0 HG3 GLU A 25 7.197 -14.281 -0.692 1.00 0.00 H new ATOM 361 N ASP A 26 6.076 -11.752 0.232 1.00 0.00 N ATOM 362 CA ASP A 26 6.841 -11.109 1.296 1.00 0.00 C ATOM 363 C ASP A 26 6.064 -9.944 1.898 1.00 0.00 C ATOM 364 O ASP A 26 6.360 -9.493 3.007 1.00 0.00 O ATOM 365 CB ASP A 26 8.173 -10.609 0.740 1.00 0.00 C ATOM 366 CG ASP A 26 9.261 -10.529 1.791 1.00 0.00 C ATOM 367 OD1 ASP A 26 9.775 -11.590 2.198 1.00 0.00 O ATOM 368 OD2 ASP A 26 9.630 -9.408 2.193 1.00 0.00 O ATOM 0 H ASP A 26 6.284 -11.405 -0.704 1.00 0.00 H new ATOM 0 HA ASP A 26 7.023 -11.842 2.082 1.00 0.00 H new ATOM 0 HB2 ASP A 26 8.498 -11.273 -0.061 1.00 0.00 H new ATOM 0 HB3 ASP A 26 8.029 -9.623 0.299 1.00 0.00 H new ATOM 373 N VAL A 27 5.070 -9.456 1.161 1.00 0.00 N ATOM 374 CA VAL A 27 4.268 -8.327 1.615 1.00 0.00 C ATOM 375 C VAL A 27 3.433 -8.718 2.820 1.00 0.00 C ATOM 376 O VAL A 27 2.622 -9.646 2.772 1.00 0.00 O ATOM 377 CB VAL A 27 3.368 -7.761 0.496 1.00 0.00 C ATOM 378 CG1 VAL A 27 2.491 -6.619 1.011 1.00 0.00 C ATOM 379 CG2 VAL A 27 4.224 -7.284 -0.662 1.00 0.00 C ATOM 0 H VAL A 27 4.802 -9.825 0.249 1.00 0.00 H new ATOM 0 HA VAL A 27 4.961 -7.536 1.903 1.00 0.00 H new ATOM 0 HB VAL A 27 2.709 -8.559 0.153 1.00 0.00 H new ATOM 0 HG11 VAL A 27 1.869 -6.243 0.198 1.00 0.00 H new ATOM 0 HG12 VAL A 27 1.854 -6.984 1.816 1.00 0.00 H new ATOM 0 HG13 VAL A 27 3.124 -5.815 1.386 1.00 0.00 H new ATOM 0 HG21 VAL A 27 3.583 -6.886 -1.448 1.00 0.00 H new ATOM 0 HG22 VAL A 27 4.902 -6.503 -0.316 1.00 0.00 H new ATOM 0 HG23 VAL A 27 4.803 -8.120 -1.055 1.00 0.00 H new ATOM 389 N LYS A 28 3.666 -8.007 3.906 1.00 0.00 N ATOM 390 CA LYS A 28 3.033 -8.289 5.172 1.00 0.00 C ATOM 391 C LYS A 28 2.721 -6.974 5.855 1.00 0.00 C ATOM 392 O LYS A 28 3.257 -5.935 5.471 1.00 0.00 O ATOM 393 CB LYS A 28 3.962 -9.123 6.054 1.00 0.00 C ATOM 394 CG LYS A 28 4.369 -10.458 5.448 1.00 0.00 C ATOM 395 CD LYS A 28 5.567 -11.058 6.172 1.00 0.00 C ATOM 396 CE LYS A 28 5.243 -11.414 7.618 1.00 0.00 C ATOM 397 NZ LYS A 28 4.186 -12.457 7.712 1.00 0.00 N ATOM 0 H LYS A 28 4.305 -7.212 3.931 1.00 0.00 H new ATOM 0 HA LYS A 28 2.116 -8.855 5.007 1.00 0.00 H new ATOM 0 HB2 LYS A 28 4.861 -8.544 6.264 1.00 0.00 H new ATOM 0 HB3 LYS A 28 3.470 -9.306 7.009 1.00 0.00 H new ATOM 0 HG2 LYS A 28 3.529 -11.151 5.496 1.00 0.00 H new ATOM 0 HG3 LYS A 28 4.611 -10.322 4.394 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.898 -11.952 5.644 1.00 0.00 H new ATOM 0 HD3 LYS A 28 6.395 -10.350 6.150 1.00 0.00 H new ATOM 0 HE2 LYS A 28 6.146 -11.767 8.115 1.00 0.00 H new ATOM 0 HE3 LYS A 28 4.917 -10.519 8.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 4.126 -12.803 8.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 3.271 -12.050 7.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 4.421 -13.248 7.079 1.00 0.00 H new ATOM 411 N LEU A 29 1.884 -7.014 6.869 1.00 0.00 N ATOM 412 CA LEU A 29 1.463 -5.800 7.552 1.00 0.00 C ATOM 413 C LEU A 29 2.535 -5.286 8.514 1.00 0.00 C ATOM 414 O LEU A 29 2.376 -4.223 9.119 1.00 0.00 O ATOM 415 CB LEU A 29 0.146 -6.043 8.299 1.00 0.00 C ATOM 416 CG LEU A 29 -1.133 -5.769 7.493 1.00 0.00 C ATOM 417 CD1 LEU A 29 -1.094 -6.472 6.143 1.00 0.00 C ATOM 418 CD2 LEU A 29 -2.361 -6.205 8.280 1.00 0.00 C ATOM 0 H LEU A 29 1.479 -7.872 7.242 1.00 0.00 H new ATOM 0 HA LEU A 29 1.309 -5.031 6.795 1.00 0.00 H new ATOM 0 HB2 LEU A 29 0.126 -7.079 8.637 1.00 0.00 H new ATOM 0 HB3 LEU A 29 0.134 -5.416 9.191 1.00 0.00 H new ATOM 0 HG LEU A 29 -1.193 -4.696 7.314 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -2.012 -6.260 5.595 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.239 -6.113 5.570 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -1.003 -7.547 6.295 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -3.258 -6.004 7.695 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -2.297 -7.272 8.492 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -2.408 -5.651 9.218 1.00 0.00 H new ATOM 430 N ASP A 30 3.629 -6.025 8.641 1.00 0.00 N ATOM 431 CA ASP A 30 4.675 -5.678 9.595 1.00 0.00 C ATOM 432 C ASP A 30 5.923 -5.131 8.905 1.00 0.00 C ATOM 433 O ASP A 30 6.829 -4.626 9.570 1.00 0.00 O ATOM 434 CB ASP A 30 5.045 -6.896 10.447 1.00 0.00 C ATOM 435 CG ASP A 30 5.698 -8.006 9.644 1.00 0.00 C ATOM 436 OD1 ASP A 30 5.098 -8.449 8.647 1.00 0.00 O ATOM 437 OD2 ASP A 30 6.809 -8.434 10.013 1.00 0.00 O ATOM 0 H ASP A 30 3.816 -6.867 8.097 1.00 0.00 H new ATOM 0 HA ASP A 30 4.278 -4.891 10.236 1.00 0.00 H new ATOM 0 HB2 ASP A 30 5.722 -6.584 11.242 1.00 0.00 H new ATOM 0 HB3 ASP A 30 4.146 -7.283 10.927 1.00 0.00 H new ATOM 442 N LYS A 31 5.974 -5.198 7.576 1.00 0.00 N ATOM 443 CA LYS A 31 7.151 -4.732 6.868 1.00 0.00 C ATOM 444 C LYS A 31 6.972 -3.255 6.520 1.00 0.00 C ATOM 445 O LYS A 31 5.877 -2.809 6.169 1.00 0.00 O ATOM 446 CB LYS A 31 7.441 -5.611 5.636 1.00 0.00 C ATOM 447 CG LYS A 31 6.855 -5.132 4.322 1.00 0.00 C ATOM 448 CD LYS A 31 6.625 -6.283 3.359 1.00 0.00 C ATOM 449 CE LYS A 31 7.931 -6.871 2.838 1.00 0.00 C ATOM 450 NZ LYS A 31 8.608 -7.745 3.837 1.00 0.00 N ATOM 0 H LYS A 31 5.228 -5.563 6.984 1.00 0.00 H new ATOM 0 HA LYS A 31 8.029 -4.821 7.507 1.00 0.00 H new ATOM 0 HB2 LYS A 31 8.522 -5.693 5.520 1.00 0.00 H new ATOM 0 HB3 LYS A 31 7.064 -6.614 5.834 1.00 0.00 H new ATOM 0 HG2 LYS A 31 5.911 -4.620 4.509 1.00 0.00 H new ATOM 0 HG3 LYS A 31 7.528 -4.405 3.867 1.00 0.00 H new ATOM 0 HD2 LYS A 31 6.052 -7.063 3.859 1.00 0.00 H new ATOM 0 HD3 LYS A 31 6.024 -5.936 2.518 1.00 0.00 H new ATOM 0 HE2 LYS A 31 7.730 -7.447 1.935 1.00 0.00 H new ATOM 0 HE3 LYS A 31 8.603 -6.060 2.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 9.036 -8.560 3.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 9.350 -7.204 4.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 7.911 -8.082 4.532 1.00 0.00 H new ATOM 464 N SER A 32 8.036 -2.491 6.655 1.00 0.00 N ATOM 465 CA SER A 32 7.955 -1.046 6.541 1.00 0.00 C ATOM 466 C SER A 32 8.148 -0.591 5.100 1.00 0.00 C ATOM 467 O SER A 32 9.036 -1.074 4.405 1.00 0.00 O ATOM 468 CB SER A 32 9.007 -0.410 7.443 1.00 0.00 C ATOM 469 OG SER A 32 8.957 -0.984 8.739 1.00 0.00 O ATOM 0 H SER A 32 8.973 -2.847 6.845 1.00 0.00 H new ATOM 0 HA SER A 32 6.961 -0.728 6.855 1.00 0.00 H new ATOM 0 HB2 SER A 32 9.998 -0.552 7.013 1.00 0.00 H new ATOM 0 HB3 SER A 32 8.839 0.665 7.507 1.00 0.00 H new ATOM 0 HG SER A 32 9.638 -0.568 9.307 1.00 0.00 H new ATOM 475 N PHE A 33 7.306 0.340 4.659 1.00 0.00 N ATOM 476 CA PHE A 33 7.391 0.889 3.310 1.00 0.00 C ATOM 477 C PHE A 33 8.760 1.505 3.080 1.00 0.00 C ATOM 478 O PHE A 33 9.419 1.243 2.075 1.00 0.00 O ATOM 479 CB PHE A 33 6.311 1.951 3.088 1.00 0.00 C ATOM 480 CG PHE A 33 5.224 1.531 2.138 1.00 0.00 C ATOM 481 CD1 PHE A 33 5.525 1.157 0.840 1.00 0.00 C ATOM 482 CD2 PHE A 33 3.899 1.523 2.541 1.00 0.00 C ATOM 483 CE1 PHE A 33 4.527 0.776 -0.035 1.00 0.00 C ATOM 484 CE2 PHE A 33 2.896 1.143 1.669 1.00 0.00 C ATOM 485 CZ PHE A 33 3.211 0.773 0.377 1.00 0.00 C ATOM 0 H PHE A 33 6.551 0.732 5.222 1.00 0.00 H new ATOM 0 HA PHE A 33 7.236 0.075 2.602 1.00 0.00 H new ATOM 0 HB2 PHE A 33 5.862 2.204 4.049 1.00 0.00 H new ATOM 0 HB3 PHE A 33 6.781 2.858 2.708 1.00 0.00 H new ATOM 0 HD1 PHE A 33 6.553 1.163 0.508 1.00 0.00 H new ATOM 0 HD2 PHE A 33 3.646 1.817 3.549 1.00 0.00 H new ATOM 0 HE1 PHE A 33 4.777 0.480 -1.043 1.00 0.00 H new ATOM 0 HE2 PHE A 33 1.867 1.136 1.998 1.00 0.00 H new ATOM 0 HZ PHE A 33 2.429 0.482 -0.309 1.00 0.00 H new ATOM 495 N THR A 34 9.185 2.302 4.036 1.00 0.00 N ATOM 496 CA THR A 34 10.440 3.011 3.938 1.00 0.00 C ATOM 497 C THR A 34 11.630 2.066 4.094 1.00 0.00 C ATOM 498 O THR A 34 12.687 2.280 3.496 1.00 0.00 O ATOM 499 CB THR A 34 10.499 4.114 5.010 1.00 0.00 C ATOM 500 OG1 THR A 34 10.205 3.550 6.297 1.00 0.00 O ATOM 501 CG2 THR A 34 9.498 5.223 4.707 1.00 0.00 C ATOM 0 H THR A 34 8.672 2.476 4.900 1.00 0.00 H new ATOM 0 HA THR A 34 10.499 3.460 2.947 1.00 0.00 H new ATOM 0 HB THR A 34 11.502 4.540 5.009 1.00 0.00 H new ATOM 0 HG1 THR A 34 10.245 4.253 6.979 1.00 0.00 H new ATOM 0 HG21 THR A 34 9.560 5.990 5.479 1.00 0.00 H new ATOM 0 HG22 THR A 34 9.727 5.665 3.737 1.00 0.00 H new ATOM 0 HG23 THR A 34 8.490 4.808 4.687 1.00 0.00 H new ATOM 509 N ASP A 35 11.459 1.016 4.894 1.00 0.00 N ATOM 510 CA ASP A 35 12.556 0.094 5.174 1.00 0.00 C ATOM 511 C ASP A 35 12.559 -1.084 4.208 1.00 0.00 C ATOM 512 O ASP A 35 13.420 -1.193 3.337 1.00 0.00 O ATOM 513 CB ASP A 35 12.477 -0.429 6.611 1.00 0.00 C ATOM 514 CG ASP A 35 13.695 -1.249 7.000 1.00 0.00 C ATOM 515 OD1 ASP A 35 13.819 -2.409 6.554 1.00 0.00 O ATOM 516 OD2 ASP A 35 14.539 -0.736 7.762 1.00 0.00 O ATOM 0 H ASP A 35 10.580 0.784 5.356 1.00 0.00 H new ATOM 0 HA ASP A 35 13.483 0.653 5.044 1.00 0.00 H new ATOM 0 HB2 ASP A 35 12.376 0.413 7.296 1.00 0.00 H new ATOM 0 HB3 ASP A 35 11.581 -1.040 6.723 1.00 0.00 H new ATOM 521 N ASP A 36 11.564 -1.944 4.361 1.00 0.00 N ATOM 522 CA ASP A 36 11.516 -3.216 3.649 1.00 0.00 C ATOM 523 C ASP A 36 11.149 -3.009 2.197 1.00 0.00 C ATOM 524 O ASP A 36 11.804 -3.538 1.303 1.00 0.00 O ATOM 525 CB ASP A 36 10.502 -4.160 4.299 1.00 0.00 C ATOM 526 CG ASP A 36 10.790 -4.413 5.764 1.00 0.00 C ATOM 527 OD1 ASP A 36 10.403 -3.571 6.597 1.00 0.00 O ATOM 528 OD2 ASP A 36 11.387 -5.460 6.081 1.00 0.00 O ATOM 0 H ASP A 36 10.769 -1.783 4.979 1.00 0.00 H new ATOM 0 HA ASP A 36 12.509 -3.662 3.703 1.00 0.00 H new ATOM 0 HB2 ASP A 36 9.502 -3.737 4.198 1.00 0.00 H new ATOM 0 HB3 ASP A 36 10.502 -5.110 3.764 1.00 0.00 H new ATOM 533 N LEU A 37 10.099 -2.232 1.965 1.00 0.00 N ATOM 534 CA LEU A 37 9.618 -1.980 0.611 1.00 0.00 C ATOM 535 C LEU A 37 10.644 -1.174 -0.177 1.00 0.00 C ATOM 536 O LEU A 37 10.588 -1.140 -1.400 1.00 0.00 O ATOM 537 CB LEU A 37 8.268 -1.237 0.610 1.00 0.00 C ATOM 538 CG LEU A 37 7.024 -2.033 1.060 1.00 0.00 C ATOM 539 CD1 LEU A 37 6.779 -3.237 0.169 1.00 0.00 C ATOM 540 CD2 LEU A 37 7.138 -2.478 2.503 1.00 0.00 C ATOM 0 H LEU A 37 9.563 -1.765 2.697 1.00 0.00 H new ATOM 0 HA LEU A 37 9.471 -2.950 0.136 1.00 0.00 H new ATOM 0 HB2 LEU A 37 8.362 -0.364 1.256 1.00 0.00 H new ATOM 0 HB3 LEU A 37 8.086 -0.868 -0.399 1.00 0.00 H new ATOM 0 HG LEU A 37 6.173 -1.357 0.972 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.896 -3.773 0.516 1.00 0.00 H new ATOM 0 HD12 LEU A 37 6.622 -2.904 -0.857 1.00 0.00 H new ATOM 0 HD13 LEU A 37 7.644 -3.900 0.207 1.00 0.00 H new ATOM 0 HD21 LEU A 37 6.244 -3.035 2.784 1.00 0.00 H new ATOM 0 HD22 LEU A 37 8.014 -3.116 2.619 1.00 0.00 H new ATOM 0 HD23 LEU A 37 7.238 -1.604 3.147 1.00 0.00 H new ATOM 552 N ASP A 38 11.574 -0.532 0.539 1.00 0.00 N ATOM 553 CA ASP A 38 12.634 0.273 -0.080 1.00 0.00 C ATOM 554 C ASP A 38 12.013 1.416 -0.874 1.00 0.00 C ATOM 555 O ASP A 38 12.511 1.827 -1.919 1.00 0.00 O ATOM 556 CB ASP A 38 13.504 -0.608 -0.985 1.00 0.00 C ATOM 557 CG ASP A 38 14.825 0.037 -1.361 1.00 0.00 C ATOM 558 OD1 ASP A 38 15.763 -0.001 -0.536 1.00 0.00 O ATOM 559 OD2 ASP A 38 14.943 0.555 -2.489 1.00 0.00 O ATOM 0 H ASP A 38 11.614 -0.555 1.558 1.00 0.00 H new ATOM 0 HA ASP A 38 13.269 0.694 0.699 1.00 0.00 H new ATOM 0 HB2 ASP A 38 13.700 -1.554 -0.480 1.00 0.00 H new ATOM 0 HB3 ASP A 38 12.950 -0.842 -1.894 1.00 0.00 H new ATOM 564 N VAL A 39 10.926 1.946 -0.347 1.00 0.00 N ATOM 565 CA VAL A 39 10.133 2.902 -1.084 1.00 0.00 C ATOM 566 C VAL A 39 10.460 4.345 -0.678 1.00 0.00 C ATOM 567 O VAL A 39 10.864 4.622 0.454 1.00 0.00 O ATOM 568 CB VAL A 39 8.625 2.614 -0.891 1.00 0.00 C ATOM 569 CG1 VAL A 39 8.021 3.500 0.178 1.00 0.00 C ATOM 570 CG2 VAL A 39 7.881 2.762 -2.203 1.00 0.00 C ATOM 0 H VAL A 39 10.575 1.730 0.586 1.00 0.00 H new ATOM 0 HA VAL A 39 10.382 2.794 -2.140 1.00 0.00 H new ATOM 0 HB VAL A 39 8.524 1.583 -0.553 1.00 0.00 H new ATOM 0 HG11 VAL A 39 6.961 3.269 0.286 1.00 0.00 H new ATOM 0 HG12 VAL A 39 8.529 3.324 1.126 1.00 0.00 H new ATOM 0 HG13 VAL A 39 8.138 4.546 -0.107 1.00 0.00 H new ATOM 0 HG21 VAL A 39 6.822 2.555 -2.046 1.00 0.00 H new ATOM 0 HG22 VAL A 39 8.001 3.779 -2.577 1.00 0.00 H new ATOM 0 HG23 VAL A 39 8.284 2.058 -2.931 1.00 0.00 H new ATOM 580 N ASP A 40 10.299 5.252 -1.631 1.00 0.00 N ATOM 581 CA ASP A 40 10.439 6.684 -1.382 1.00 0.00 C ATOM 582 C ASP A 40 9.077 7.307 -1.164 1.00 0.00 C ATOM 583 O ASP A 40 8.083 6.788 -1.659 1.00 0.00 O ATOM 584 CB ASP A 40 11.145 7.365 -2.562 1.00 0.00 C ATOM 585 CG ASP A 40 11.034 8.879 -2.532 1.00 0.00 C ATOM 586 OD1 ASP A 40 11.802 9.526 -1.796 1.00 0.00 O ATOM 587 OD2 ASP A 40 10.170 9.427 -3.251 1.00 0.00 O ATOM 0 H ASP A 40 10.068 5.019 -2.597 1.00 0.00 H new ATOM 0 HA ASP A 40 11.043 6.825 -0.485 1.00 0.00 H new ATOM 0 HB2 ASP A 40 12.198 7.084 -2.558 1.00 0.00 H new ATOM 0 HB3 ASP A 40 10.720 6.994 -3.495 1.00 0.00 H new ATOM 592 N SER A 41 9.044 8.422 -0.439 1.00 0.00 N ATOM 593 CA SER A 41 7.797 9.092 -0.096 1.00 0.00 C ATOM 594 C SER A 41 6.935 9.349 -1.335 1.00 0.00 C ATOM 595 O SER A 41 5.732 9.080 -1.328 1.00 0.00 O ATOM 596 CB SER A 41 8.096 10.401 0.630 1.00 0.00 C ATOM 597 OG SER A 41 8.903 10.161 1.771 1.00 0.00 O ATOM 0 H SER A 41 9.878 8.883 -0.075 1.00 0.00 H new ATOM 0 HA SER A 41 7.230 8.436 0.564 1.00 0.00 H new ATOM 0 HB2 SER A 41 8.604 11.090 -0.044 1.00 0.00 H new ATOM 0 HB3 SER A 41 7.163 10.879 0.930 1.00 0.00 H new ATOM 0 HG SER A 41 9.088 11.009 2.225 1.00 0.00 H new ATOM 603 N LEU A 42 7.546 9.831 -2.408 1.00 0.00 N ATOM 604 CA LEU A 42 6.800 10.075 -3.632 1.00 0.00 C ATOM 605 C LEU A 42 6.553 8.765 -4.358 1.00 0.00 C ATOM 606 O LEU A 42 5.471 8.543 -4.885 1.00 0.00 O ATOM 607 CB LEU A 42 7.526 11.069 -4.547 1.00 0.00 C ATOM 608 CG LEU A 42 6.889 11.259 -5.931 1.00 0.00 C ATOM 609 CD1 LEU A 42 5.407 11.582 -5.799 1.00 0.00 C ATOM 610 CD2 LEU A 42 7.605 12.355 -6.708 1.00 0.00 C ATOM 0 H LEU A 42 8.539 10.057 -2.456 1.00 0.00 H new ATOM 0 HA LEU A 42 5.843 10.520 -3.361 1.00 0.00 H new ATOM 0 HB2 LEU A 42 7.568 12.037 -4.047 1.00 0.00 H new ATOM 0 HB3 LEU A 42 8.555 10.734 -4.680 1.00 0.00 H new ATOM 0 HG LEU A 42 6.991 10.325 -6.483 1.00 0.00 H new ATOM 0 HD11 LEU A 42 4.973 11.713 -6.790 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.901 10.764 -5.287 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.285 12.501 -5.225 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.137 12.473 -7.686 1.00 0.00 H new ATOM 0 HD22 LEU A 42 7.538 13.294 -6.158 1.00 0.00 H new ATOM 0 HD23 LEU A 42 8.653 12.084 -6.837 1.00 0.00 H new ATOM 622 N SER A 43 7.548 7.892 -4.354 1.00 0.00 N ATOM 623 CA SER A 43 7.423 6.596 -4.998 1.00 0.00 C ATOM 624 C SER A 43 6.213 5.828 -4.467 1.00 0.00 C ATOM 625 O SER A 43 5.399 5.330 -5.246 1.00 0.00 O ATOM 626 CB SER A 43 8.705 5.796 -4.794 1.00 0.00 C ATOM 627 OG SER A 43 9.819 6.478 -5.350 1.00 0.00 O ATOM 0 H SER A 43 8.452 8.059 -3.911 1.00 0.00 H new ATOM 0 HA SER A 43 7.267 6.752 -6.065 1.00 0.00 H new ATOM 0 HB2 SER A 43 8.869 5.629 -3.729 1.00 0.00 H new ATOM 0 HB3 SER A 43 8.605 4.815 -5.259 1.00 0.00 H new ATOM 0 HG SER A 43 10.599 5.884 -5.351 1.00 0.00 H new ATOM 633 N MET A 44 6.078 5.759 -3.146 1.00 0.00 N ATOM 634 CA MET A 44 4.942 5.077 -2.543 1.00 0.00 C ATOM 635 C MET A 44 3.640 5.757 -2.928 1.00 0.00 C ATOM 636 O MET A 44 2.695 5.100 -3.338 1.00 0.00 O ATOM 637 CB MET A 44 5.072 4.980 -1.016 1.00 0.00 C ATOM 638 CG MET A 44 5.585 6.242 -0.334 1.00 0.00 C ATOM 639 SD MET A 44 5.981 5.999 1.410 1.00 0.00 S ATOM 640 CE MET A 44 4.518 5.148 1.982 1.00 0.00 C ATOM 0 H MET A 44 6.736 6.164 -2.479 1.00 0.00 H new ATOM 0 HA MET A 44 4.933 4.059 -2.933 1.00 0.00 H new ATOM 0 HB2 MET A 44 4.097 4.730 -0.598 1.00 0.00 H new ATOM 0 HB3 MET A 44 5.743 4.156 -0.775 1.00 0.00 H new ATOM 0 HG2 MET A 44 6.475 6.593 -0.856 1.00 0.00 H new ATOM 0 HG3 MET A 44 4.833 7.026 -0.423 1.00 0.00 H new ATOM 0 HE1 MET A 44 4.593 4.978 3.056 1.00 0.00 H new ATOM 0 HE2 MET A 44 3.638 5.756 1.771 1.00 0.00 H new ATOM 0 HE3 MET A 44 4.430 4.191 1.468 1.00 0.00 H new ATOM 650 N VAL A 45 3.595 7.072 -2.847 1.00 0.00 N ATOM 651 CA VAL A 45 2.382 7.787 -3.220 1.00 0.00 C ATOM 652 C VAL A 45 2.082 7.604 -4.711 1.00 0.00 C ATOM 653 O VAL A 45 0.944 7.684 -5.143 1.00 0.00 O ATOM 654 CB VAL A 45 2.482 9.287 -2.868 1.00 0.00 C ATOM 655 CG1 VAL A 45 1.241 10.045 -3.315 1.00 0.00 C ATOM 656 CG2 VAL A 45 2.686 9.451 -1.373 1.00 0.00 C ATOM 0 H VAL A 45 4.366 7.661 -2.533 1.00 0.00 H new ATOM 0 HA VAL A 45 1.558 7.363 -2.646 1.00 0.00 H new ATOM 0 HB VAL A 45 3.337 9.706 -3.399 1.00 0.00 H new ATOM 0 HG11 VAL A 45 1.343 11.098 -3.052 1.00 0.00 H new ATOM 0 HG12 VAL A 45 1.126 9.950 -4.395 1.00 0.00 H new ATOM 0 HG13 VAL A 45 0.363 9.631 -2.819 1.00 0.00 H new ATOM 0 HG21 VAL A 45 2.756 10.511 -1.129 1.00 0.00 H new ATOM 0 HG22 VAL A 45 1.843 9.011 -0.840 1.00 0.00 H new ATOM 0 HG23 VAL A 45 3.606 8.949 -1.074 1.00 0.00 H new ATOM 666 N GLU A 46 3.102 7.290 -5.486 1.00 0.00 N ATOM 667 CA GLU A 46 2.965 7.213 -6.930 1.00 0.00 C ATOM 668 C GLU A 46 2.208 5.955 -7.360 1.00 0.00 C ATOM 669 O GLU A 46 1.073 6.033 -7.850 1.00 0.00 O ATOM 670 CB GLU A 46 4.365 7.247 -7.548 1.00 0.00 C ATOM 671 CG GLU A 46 4.401 7.379 -9.060 1.00 0.00 C ATOM 672 CD GLU A 46 5.818 7.533 -9.578 1.00 0.00 C ATOM 673 OE1 GLU A 46 6.342 8.669 -9.562 1.00 0.00 O ATOM 674 OE2 GLU A 46 6.424 6.519 -9.973 1.00 0.00 O ATOM 0 H GLU A 46 4.039 7.083 -5.139 1.00 0.00 H new ATOM 0 HA GLU A 46 2.380 8.063 -7.282 1.00 0.00 H new ATOM 0 HB2 GLU A 46 4.916 8.081 -7.113 1.00 0.00 H new ATOM 0 HB3 GLU A 46 4.891 6.335 -7.266 1.00 0.00 H new ATOM 0 HG2 GLU A 46 3.942 6.500 -9.513 1.00 0.00 H new ATOM 0 HG3 GLU A 46 3.807 8.241 -9.364 1.00 0.00 H new ATOM 681 N VAL A 47 2.785 4.785 -7.128 1.00 0.00 N ATOM 682 CA VAL A 47 2.149 3.573 -7.598 1.00 0.00 C ATOM 683 C VAL A 47 1.191 3.008 -6.551 1.00 0.00 C ATOM 684 O VAL A 47 0.274 2.266 -6.887 1.00 0.00 O ATOM 685 CB VAL A 47 3.187 2.509 -8.026 1.00 0.00 C ATOM 686 CG1 VAL A 47 2.519 1.331 -8.725 1.00 0.00 C ATOM 687 CG2 VAL A 47 4.237 3.134 -8.935 1.00 0.00 C ATOM 0 H VAL A 47 3.666 4.654 -6.632 1.00 0.00 H new ATOM 0 HA VAL A 47 1.567 3.838 -8.481 1.00 0.00 H new ATOM 0 HB VAL A 47 3.673 2.133 -7.125 1.00 0.00 H new ATOM 0 HG11 VAL A 47 3.276 0.602 -9.013 1.00 0.00 H new ATOM 0 HG12 VAL A 47 1.804 0.864 -8.048 1.00 0.00 H new ATOM 0 HG13 VAL A 47 1.998 1.684 -9.615 1.00 0.00 H new ATOM 0 HG21 VAL A 47 4.962 2.375 -9.229 1.00 0.00 H new ATOM 0 HG22 VAL A 47 3.754 3.539 -9.824 1.00 0.00 H new ATOM 0 HG23 VAL A 47 4.748 3.936 -8.403 1.00 0.00 H new ATOM 697 N VAL A 48 1.353 3.382 -5.282 1.00 0.00 N ATOM 698 CA VAL A 48 0.432 2.894 -4.257 1.00 0.00 C ATOM 699 C VAL A 48 -0.864 3.717 -4.290 1.00 0.00 C ATOM 700 O VAL A 48 -1.891 3.294 -3.769 1.00 0.00 O ATOM 701 CB VAL A 48 1.063 2.869 -2.837 1.00 0.00 C ATOM 702 CG1 VAL A 48 0.170 2.159 -1.823 1.00 0.00 C ATOM 703 CG2 VAL A 48 2.426 2.195 -2.883 1.00 0.00 C ATOM 0 H VAL A 48 2.090 4.002 -4.946 1.00 0.00 H new ATOM 0 HA VAL A 48 0.198 1.855 -4.490 1.00 0.00 H new ATOM 0 HB VAL A 48 1.173 3.904 -2.513 1.00 0.00 H new ATOM 0 HG11 VAL A 48 0.652 2.166 -0.845 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -0.788 2.674 -1.759 1.00 0.00 H new ATOM 0 HG13 VAL A 48 0.008 1.129 -2.140 1.00 0.00 H new ATOM 0 HG21 VAL A 48 2.860 2.183 -1.883 1.00 0.00 H new ATOM 0 HG22 VAL A 48 2.314 1.172 -3.243 1.00 0.00 H new ATOM 0 HG23 VAL A 48 3.082 2.747 -3.556 1.00 0.00 H new ATOM 713 N VAL A 49 -0.819 4.887 -4.931 1.00 0.00 N ATOM 714 CA VAL A 49 -2.046 5.595 -5.287 1.00 0.00 C ATOM 715 C VAL A 49 -2.654 4.952 -6.530 1.00 0.00 C ATOM 716 O VAL A 49 -3.872 4.859 -6.676 1.00 0.00 O ATOM 717 CB VAL A 49 -1.810 7.107 -5.512 1.00 0.00 C ATOM 718 CG1 VAL A 49 -2.863 7.720 -6.427 1.00 0.00 C ATOM 719 CG2 VAL A 49 -1.801 7.824 -4.173 1.00 0.00 C ATOM 0 H VAL A 49 0.042 5.357 -5.210 1.00 0.00 H new ATOM 0 HA VAL A 49 -2.740 5.512 -4.450 1.00 0.00 H new ATOM 0 HB VAL A 49 -0.844 7.226 -6.004 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -2.658 8.783 -6.557 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -2.835 7.224 -7.397 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -3.850 7.593 -5.982 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -1.635 8.889 -4.332 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -2.759 7.677 -3.675 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -1.003 7.421 -3.550 1.00 0.00 H new ATOM 729 N ALA A 50 -1.802 4.471 -7.424 1.00 0.00 N ATOM 730 CA ALA A 50 -2.276 3.610 -8.499 1.00 0.00 C ATOM 731 C ALA A 50 -2.938 2.364 -7.904 1.00 0.00 C ATOM 732 O ALA A 50 -3.787 1.731 -8.530 1.00 0.00 O ATOM 733 CB ALA A 50 -1.134 3.225 -9.423 1.00 0.00 C ATOM 0 H ALA A 50 -0.799 4.657 -7.429 1.00 0.00 H new ATOM 0 HA ALA A 50 -3.013 4.154 -9.091 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.511 2.582 -10.218 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -0.699 4.125 -9.859 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -0.371 2.692 -8.856 1.00 0.00 H new ATOM 739 N ALA A 51 -2.543 2.034 -6.676 1.00 0.00 N ATOM 740 CA ALA A 51 -3.122 0.919 -5.947 1.00 0.00 C ATOM 741 C ALA A 51 -4.435 1.304 -5.281 1.00 0.00 C ATOM 742 O ALA A 51 -5.364 0.509 -5.258 1.00 0.00 O ATOM 743 CB ALA A 51 -2.161 0.398 -4.894 1.00 0.00 C ATOM 0 H ALA A 51 -1.815 2.533 -6.164 1.00 0.00 H new ATOM 0 HA ALA A 51 -3.318 0.134 -6.677 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -2.620 -0.436 -4.363 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -1.242 0.061 -5.375 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.929 1.194 -4.187 1.00 0.00 H new ATOM 749 N GLU A 52 -4.525 2.519 -4.739 1.00 0.00 N ATOM 750 CA GLU A 52 -5.716 2.907 -3.993 1.00 0.00 C ATOM 751 C GLU A 52 -6.934 2.834 -4.907 1.00 0.00 C ATOM 752 O GLU A 52 -7.947 2.213 -4.586 1.00 0.00 O ATOM 753 CB GLU A 52 -5.585 4.318 -3.380 1.00 0.00 C ATOM 754 CG GLU A 52 -5.416 5.441 -4.388 1.00 0.00 C ATOM 755 CD GLU A 52 -5.774 6.806 -3.831 1.00 0.00 C ATOM 756 OE1 GLU A 52 -6.980 7.100 -3.690 1.00 0.00 O ATOM 757 OE2 GLU A 52 -4.856 7.589 -3.543 1.00 0.00 O ATOM 0 H GLU A 52 -3.802 3.236 -4.801 1.00 0.00 H new ATOM 0 HA GLU A 52 -5.835 2.210 -3.163 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -6.471 4.520 -2.778 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -4.731 4.326 -2.703 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -4.382 5.457 -4.734 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -6.040 5.236 -5.258 1.00 0.00 H new ATOM 764 N GLU A 53 -6.791 3.400 -6.087 1.00 0.00 N ATOM 765 CA GLU A 53 -7.912 3.559 -6.980 1.00 0.00 C ATOM 766 C GLU A 53 -8.329 2.246 -7.649 1.00 0.00 C ATOM 767 O GLU A 53 -9.469 2.120 -8.093 1.00 0.00 O ATOM 768 CB GLU A 53 -7.598 4.611 -8.022 1.00 0.00 C ATOM 769 CG GLU A 53 -7.242 5.963 -7.431 1.00 0.00 C ATOM 770 CD GLU A 53 -7.414 7.091 -8.421 1.00 0.00 C ATOM 771 OE1 GLU A 53 -8.528 7.647 -8.495 1.00 0.00 O ATOM 772 OE2 GLU A 53 -6.441 7.442 -9.115 1.00 0.00 O ATOM 0 H GLU A 53 -5.906 3.757 -6.448 1.00 0.00 H new ATOM 0 HA GLU A 53 -8.760 3.884 -6.378 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -6.769 4.264 -8.639 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -8.459 4.727 -8.681 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -7.868 6.151 -6.559 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -6.209 5.943 -7.083 1.00 0.00 H new ATOM 779 N ARG A 54 -7.432 1.261 -7.721 1.00 0.00 N ATOM 780 CA ARG A 54 -7.819 -0.041 -8.272 1.00 0.00 C ATOM 781 C ARG A 54 -8.683 -0.796 -7.269 1.00 0.00 C ATOM 782 O ARG A 54 -9.305 -1.804 -7.602 1.00 0.00 O ATOM 783 CB ARG A 54 -6.614 -0.899 -8.676 1.00 0.00 C ATOM 784 CG ARG A 54 -5.644 -1.182 -7.548 1.00 0.00 C ATOM 785 CD ARG A 54 -4.806 -2.422 -7.814 1.00 0.00 C ATOM 786 NE ARG A 54 -4.231 -2.435 -9.160 1.00 0.00 N ATOM 787 CZ ARG A 54 -3.337 -3.328 -9.578 1.00 0.00 C ATOM 788 NH1 ARG A 54 -2.839 -4.223 -8.737 1.00 0.00 N ATOM 789 NH2 ARG A 54 -2.939 -3.321 -10.845 1.00 0.00 N ATOM 0 H ARG A 54 -6.462 1.333 -7.415 1.00 0.00 H new ATOM 0 HA ARG A 54 -8.388 0.156 -9.180 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -6.975 -1.847 -9.075 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -6.079 -0.397 -9.482 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -4.987 -0.323 -7.411 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -6.198 -1.311 -6.618 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -4.003 -2.478 -7.079 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -5.424 -3.310 -7.678 1.00 0.00 H new ATOM 0 HE ARG A 54 -4.534 -1.716 -9.817 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -3.141 -4.230 -7.763 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -2.154 -4.905 -9.064 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -3.318 -2.632 -11.495 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -2.254 -4.004 -11.168 1.00 0.00 H new ATOM 803 N PHE A 55 -8.721 -0.296 -6.038 1.00 0.00 N ATOM 804 CA PHE A 55 -9.589 -0.857 -5.017 1.00 0.00 C ATOM 805 C PHE A 55 -10.821 0.028 -4.851 1.00 0.00 C ATOM 806 O PHE A 55 -11.597 -0.143 -3.910 1.00 0.00 O ATOM 807 CB PHE A 55 -8.852 -0.993 -3.676 1.00 0.00 C ATOM 808 CG PHE A 55 -7.580 -1.796 -3.756 1.00 0.00 C ATOM 809 CD1 PHE A 55 -7.554 -3.038 -4.373 1.00 0.00 C ATOM 810 CD2 PHE A 55 -6.405 -1.293 -3.229 1.00 0.00 C ATOM 811 CE1 PHE A 55 -6.378 -3.761 -4.455 1.00 0.00 C ATOM 812 CE2 PHE A 55 -5.226 -2.008 -3.309 1.00 0.00 C ATOM 813 CZ PHE A 55 -5.212 -3.244 -3.925 1.00 0.00 C ATOM 0 H PHE A 55 -8.160 0.497 -5.726 1.00 0.00 H new ATOM 0 HA PHE A 55 -9.896 -1.854 -5.334 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -8.618 0.003 -3.299 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -9.520 -1.460 -2.952 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -8.462 -3.445 -4.794 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -6.409 -0.326 -2.747 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -6.371 -4.729 -4.933 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -4.317 -1.601 -2.891 1.00 0.00 H new ATOM 0 HZ PHE A 55 -4.292 -3.805 -3.992 1.00 0.00 H new ATOM 823 N ASP A 56 -10.974 0.982 -5.779 1.00 0.00 N ATOM 824 CA ASP A 56 -12.119 1.898 -5.800 1.00 0.00 C ATOM 825 C ASP A 56 -12.172 2.773 -4.556 1.00 0.00 C ATOM 826 O ASP A 56 -13.247 3.192 -4.130 1.00 0.00 O ATOM 827 CB ASP A 56 -13.436 1.129 -5.955 1.00 0.00 C ATOM 828 CG ASP A 56 -13.676 0.680 -7.384 1.00 0.00 C ATOM 829 OD1 ASP A 56 -13.020 -0.283 -7.831 1.00 0.00 O ATOM 830 OD2 ASP A 56 -14.522 1.290 -8.074 1.00 0.00 O ATOM 0 H ASP A 56 -10.308 1.139 -6.535 1.00 0.00 H new ATOM 0 HA ASP A 56 -11.985 2.550 -6.664 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -13.425 0.258 -5.300 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -14.263 1.761 -5.631 1.00 0.00 H new ATOM 835 N VAL A 57 -11.013 3.076 -3.995 1.00 0.00 N ATOM 836 CA VAL A 57 -10.937 3.912 -2.808 1.00 0.00 C ATOM 837 C VAL A 57 -10.215 5.214 -3.140 1.00 0.00 C ATOM 838 O VAL A 57 -9.549 5.310 -4.170 1.00 0.00 O ATOM 839 CB VAL A 57 -10.197 3.182 -1.664 1.00 0.00 C ATOM 840 CG1 VAL A 57 -8.709 3.103 -1.955 1.00 0.00 C ATOM 841 CG2 VAL A 57 -10.449 3.852 -0.320 1.00 0.00 C ATOM 0 H VAL A 57 -10.110 2.755 -4.343 1.00 0.00 H new ATOM 0 HA VAL A 57 -11.952 4.131 -2.476 1.00 0.00 H new ATOM 0 HB VAL A 57 -10.593 2.168 -1.606 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -8.205 2.586 -1.138 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -8.549 2.556 -2.884 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -8.303 4.110 -2.052 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -9.914 3.313 0.461 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -10.097 4.883 -0.356 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -11.517 3.841 -0.102 1.00 0.00 H new ATOM 851 N LYS A 58 -10.371 6.213 -2.284 1.00 0.00 N ATOM 852 CA LYS A 58 -9.643 7.464 -2.427 1.00 0.00 C ATOM 853 C LYS A 58 -8.954 7.825 -1.119 1.00 0.00 C ATOM 854 O LYS A 58 -9.618 8.060 -0.107 1.00 0.00 O ATOM 855 CB LYS A 58 -10.582 8.604 -2.832 1.00 0.00 C ATOM 856 CG LYS A 58 -11.216 8.442 -4.204 1.00 0.00 C ATOM 857 CD LYS A 58 -10.180 8.312 -5.312 1.00 0.00 C ATOM 858 CE LYS A 58 -9.119 9.397 -5.240 1.00 0.00 C ATOM 859 NZ LYS A 58 -8.367 9.504 -6.514 1.00 0.00 N ATOM 0 H LYS A 58 -10.998 6.181 -1.480 1.00 0.00 H new ATOM 0 HA LYS A 58 -8.897 7.327 -3.210 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -11.374 8.687 -2.088 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -10.025 9.541 -2.811 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -11.856 7.559 -4.203 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -11.857 9.300 -4.408 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -9.702 7.335 -5.246 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -10.679 8.359 -6.280 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -9.589 10.353 -5.012 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -8.428 9.179 -4.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -7.356 9.339 -6.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -8.720 8.794 -7.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -8.497 10.455 -6.915 1.00 0.00 H new ATOM 873 N ILE A 59 -7.630 7.859 -1.132 1.00 0.00 N ATOM 874 CA ILE A 59 -6.870 8.271 0.041 1.00 0.00 C ATOM 875 C ILE A 59 -6.063 9.532 -0.271 1.00 0.00 C ATOM 876 O ILE A 59 -5.833 9.860 -1.434 1.00 0.00 O ATOM 877 CB ILE A 59 -5.913 7.166 0.562 1.00 0.00 C ATOM 878 CG1 ILE A 59 -4.872 6.802 -0.489 1.00 0.00 C ATOM 879 CG2 ILE A 59 -6.687 5.927 0.985 1.00 0.00 C ATOM 880 CD1 ILE A 59 -3.836 5.819 0.008 1.00 0.00 C ATOM 0 H ILE A 59 -7.060 7.607 -1.939 1.00 0.00 H new ATOM 0 HA ILE A 59 -7.598 8.470 0.828 1.00 0.00 H new ATOM 0 HB ILE A 59 -5.396 7.565 1.435 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -5.376 6.379 -1.358 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -4.370 7.710 -0.822 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -5.992 5.169 1.346 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -7.384 6.188 1.781 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -7.240 5.535 0.132 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -3.126 5.604 -0.791 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -3.306 6.248 0.859 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -4.328 4.896 0.315 1.00 0.00 H new ATOM 892 N PRO A 60 -5.670 10.281 0.764 1.00 0.00 N ATOM 893 CA PRO A 60 -4.825 11.466 0.603 1.00 0.00 C ATOM 894 C PRO A 60 -3.399 11.109 0.182 1.00 0.00 C ATOM 895 O PRO A 60 -2.799 10.188 0.740 1.00 0.00 O ATOM 896 CB PRO A 60 -4.818 12.098 2.003 1.00 0.00 C ATOM 897 CG PRO A 60 -5.936 11.443 2.741 1.00 0.00 C ATOM 898 CD PRO A 60 -6.040 10.064 2.168 1.00 0.00 C ATOM 0 HA PRO A 60 -5.202 12.127 -0.178 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -3.865 11.930 2.505 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -4.963 13.177 1.947 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -5.733 11.409 3.811 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -6.868 11.993 2.611 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -5.365 9.366 2.663 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -7.047 9.658 2.265 1.00 0.00 H new ATOM 906 N ASP A 61 -2.868 11.851 -0.794 1.00 0.00 N ATOM 907 CA ASP A 61 -1.498 11.651 -1.282 1.00 0.00 C ATOM 908 C ASP A 61 -0.513 11.601 -0.122 1.00 0.00 C ATOM 909 O ASP A 61 0.198 10.615 0.079 1.00 0.00 O ATOM 910 CB ASP A 61 -1.076 12.792 -2.219 1.00 0.00 C ATOM 911 CG ASP A 61 -1.909 12.879 -3.480 1.00 0.00 C ATOM 912 OD1 ASP A 61 -3.054 13.368 -3.402 1.00 0.00 O ATOM 913 OD2 ASP A 61 -1.412 12.486 -4.559 1.00 0.00 O ATOM 0 H ASP A 61 -3.371 12.603 -1.266 1.00 0.00 H new ATOM 0 HA ASP A 61 -1.485 10.705 -1.823 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -1.146 13.737 -1.681 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -0.030 12.658 -2.493 1.00 0.00 H new ATOM 918 N ASP A 62 -0.497 12.673 0.654 1.00 0.00 N ATOM 919 CA ASP A 62 0.453 12.821 1.750 1.00 0.00 C ATOM 920 C ASP A 62 0.186 11.842 2.883 1.00 0.00 C ATOM 921 O ASP A 62 1.054 11.606 3.713 1.00 0.00 O ATOM 922 CB ASP A 62 0.467 14.253 2.276 1.00 0.00 C ATOM 923 CG ASP A 62 1.540 15.083 1.605 1.00 0.00 C ATOM 924 OD1 ASP A 62 1.307 15.578 0.486 1.00 0.00 O ATOM 925 OD2 ASP A 62 2.628 15.243 2.201 1.00 0.00 O ATOM 0 H ASP A 62 -1.136 13.461 0.545 1.00 0.00 H new ATOM 0 HA ASP A 62 1.437 12.588 1.343 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -0.507 14.712 2.108 1.00 0.00 H new ATOM 0 HB3 ASP A 62 0.634 14.244 3.353 1.00 0.00 H new ATOM 930 N ASP A 63 -1.004 11.268 2.930 1.00 0.00 N ATOM 931 CA ASP A 63 -1.309 10.323 3.990 1.00 0.00 C ATOM 932 C ASP A 63 -0.631 8.983 3.710 1.00 0.00 C ATOM 933 O ASP A 63 -0.420 8.183 4.619 1.00 0.00 O ATOM 934 CB ASP A 63 -2.818 10.148 4.169 1.00 0.00 C ATOM 935 CG ASP A 63 -3.186 9.894 5.618 1.00 0.00 C ATOM 936 OD1 ASP A 63 -2.498 10.442 6.510 1.00 0.00 O ATOM 937 OD2 ASP A 63 -4.169 9.177 5.872 1.00 0.00 O ATOM 0 H ASP A 63 -1.758 11.434 2.264 1.00 0.00 H new ATOM 0 HA ASP A 63 -0.918 10.724 4.925 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -3.332 11.041 3.814 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -3.163 9.316 3.555 1.00 0.00 H new ATOM 942 N VAL A 64 -0.255 8.757 2.448 1.00 0.00 N ATOM 943 CA VAL A 64 0.502 7.562 2.088 1.00 0.00 C ATOM 944 C VAL A 64 1.935 7.684 2.595 1.00 0.00 C ATOM 945 O VAL A 64 2.419 6.814 3.306 1.00 0.00 O ATOM 946 CB VAL A 64 0.527 7.296 0.562 1.00 0.00 C ATOM 947 CG1 VAL A 64 1.180 5.956 0.265 1.00 0.00 C ATOM 948 CG2 VAL A 64 -0.876 7.339 -0.023 1.00 0.00 C ATOM 0 H VAL A 64 -0.461 9.381 1.668 1.00 0.00 H new ATOM 0 HA VAL A 64 -0.005 6.719 2.558 1.00 0.00 H new ATOM 0 HB VAL A 64 1.116 8.085 0.094 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.189 5.786 -0.812 1.00 0.00 H new ATOM 0 HG12 VAL A 64 2.203 5.959 0.640 1.00 0.00 H new ATOM 0 HG13 VAL A 64 0.617 5.161 0.753 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -0.829 7.149 -1.095 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -1.493 6.577 0.454 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -1.313 8.322 0.153 1.00 0.00 H new ATOM 958 N LYS A 65 2.605 8.788 2.258 1.00 0.00 N ATOM 959 CA LYS A 65 3.980 9.007 2.717 1.00 0.00 C ATOM 960 C LYS A 65 4.015 9.249 4.228 1.00 0.00 C ATOM 961 O LYS A 65 5.084 9.332 4.838 1.00 0.00 O ATOM 962 CB LYS A 65 4.648 10.168 1.948 1.00 0.00 C ATOM 963 CG LYS A 65 3.835 11.461 1.888 1.00 0.00 C ATOM 964 CD LYS A 65 3.799 12.192 3.223 1.00 0.00 C ATOM 965 CE LYS A 65 5.041 13.037 3.462 1.00 0.00 C ATOM 966 NZ LYS A 65 5.086 14.230 2.573 1.00 0.00 N ATOM 0 H LYS A 65 2.225 9.535 1.677 1.00 0.00 H new ATOM 0 HA LYS A 65 4.553 8.104 2.508 1.00 0.00 H new ATOM 0 HB2 LYS A 65 5.610 10.384 2.412 1.00 0.00 H new ATOM 0 HB3 LYS A 65 4.852 9.838 0.929 1.00 0.00 H new ATOM 0 HG2 LYS A 65 4.260 12.118 1.129 1.00 0.00 H new ATOM 0 HG3 LYS A 65 2.816 11.231 1.576 1.00 0.00 H new ATOM 0 HD2 LYS A 65 2.917 12.831 3.259 1.00 0.00 H new ATOM 0 HD3 LYS A 65 3.699 11.465 4.029 1.00 0.00 H new ATOM 0 HE2 LYS A 65 5.064 13.360 4.503 1.00 0.00 H new ATOM 0 HE3 LYS A 65 5.930 12.429 3.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 5.454 15.045 3.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 5.708 14.036 1.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 4.128 14.444 2.230 1.00 0.00 H new ATOM 980 N ASN A 66 2.831 9.369 4.814 1.00 0.00 N ATOM 981 CA ASN A 66 2.678 9.526 6.250 1.00 0.00 C ATOM 982 C ASN A 66 2.888 8.184 6.950 1.00 0.00 C ATOM 983 O ASN A 66 3.478 8.118 8.026 1.00 0.00 O ATOM 984 CB ASN A 66 1.280 10.084 6.551 1.00 0.00 C ATOM 985 CG ASN A 66 1.035 10.361 8.022 1.00 0.00 C ATOM 986 OD1 ASN A 66 1.951 10.705 8.771 1.00 0.00 O ATOM 987 ND2 ASN A 66 -0.216 10.241 8.439 1.00 0.00 N ATOM 0 H ASN A 66 1.948 9.360 4.303 1.00 0.00 H new ATOM 0 HA ASN A 66 3.427 10.224 6.625 1.00 0.00 H new ATOM 0 HB2 ASN A 66 1.139 11.007 5.989 1.00 0.00 H new ATOM 0 HB3 ASN A 66 0.532 9.376 6.195 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -0.450 10.436 9.412 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -0.946 9.954 7.787 1.00 0.00 H new ATOM 994 N LEU A 67 2.435 7.111 6.306 1.00 0.00 N ATOM 995 CA LEU A 67 2.569 5.767 6.860 1.00 0.00 C ATOM 996 C LEU A 67 3.886 5.129 6.434 1.00 0.00 C ATOM 997 O LEU A 67 4.228 5.091 5.256 1.00 0.00 O ATOM 998 CB LEU A 67 1.363 4.895 6.461 1.00 0.00 C ATOM 999 CG LEU A 67 0.963 4.937 4.979 1.00 0.00 C ATOM 1000 CD1 LEU A 67 1.496 3.723 4.228 1.00 0.00 C ATOM 1001 CD2 LEU A 67 -0.550 5.019 4.836 1.00 0.00 C ATOM 0 H LEU A 67 1.971 7.147 5.398 1.00 0.00 H new ATOM 0 HA LEU A 67 2.581 5.843 7.947 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.583 3.861 6.728 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.504 5.203 7.058 1.00 0.00 H new ATOM 0 HG LEU A 67 1.408 5.830 4.540 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.196 3.782 3.182 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.584 3.704 4.293 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.090 2.814 4.671 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.815 5.048 3.779 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -1.007 4.146 5.301 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -0.913 5.922 5.326 1.00 0.00 H new ATOM 1013 N LYS A 68 4.628 4.635 7.416 1.00 0.00 N ATOM 1014 CA LYS A 68 5.961 4.092 7.172 1.00 0.00 C ATOM 1015 C LYS A 68 5.932 2.584 6.977 1.00 0.00 C ATOM 1016 O LYS A 68 6.972 1.962 6.781 1.00 0.00 O ATOM 1017 CB LYS A 68 6.907 4.445 8.324 1.00 0.00 C ATOM 1018 CG LYS A 68 7.620 5.778 8.154 1.00 0.00 C ATOM 1019 CD LYS A 68 6.645 6.929 7.970 1.00 0.00 C ATOM 1020 CE LYS A 68 7.372 8.223 7.657 1.00 0.00 C ATOM 1021 NZ LYS A 68 6.435 9.329 7.329 1.00 0.00 N ATOM 0 H LYS A 68 4.330 4.598 8.391 1.00 0.00 H new ATOM 0 HA LYS A 68 6.327 4.545 6.251 1.00 0.00 H new ATOM 0 HB2 LYS A 68 6.339 4.465 9.254 1.00 0.00 H new ATOM 0 HB3 LYS A 68 7.653 3.656 8.423 1.00 0.00 H new ATOM 0 HG2 LYS A 68 8.244 5.968 9.027 1.00 0.00 H new ATOM 0 HG3 LYS A 68 8.285 5.726 7.292 1.00 0.00 H new ATOM 0 HD2 LYS A 68 5.951 6.695 7.163 1.00 0.00 H new ATOM 0 HD3 LYS A 68 6.051 7.053 8.875 1.00 0.00 H new ATOM 0 HE2 LYS A 68 7.984 8.510 8.512 1.00 0.00 H new ATOM 0 HE3 LYS A 68 8.050 8.063 6.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 6.948 10.233 7.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 6.029 9.171 6.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 5.671 9.357 8.034 1.00 0.00 H new ATOM 1035 N THR A 69 4.750 1.993 7.031 1.00 0.00 N ATOM 1036 CA THR A 69 4.615 0.556 6.844 1.00 0.00 C ATOM 1037 C THR A 69 3.535 0.251 5.822 1.00 0.00 C ATOM 1038 O THR A 69 2.556 0.991 5.705 1.00 0.00 O ATOM 1039 CB THR A 69 4.275 -0.160 8.166 1.00 0.00 C ATOM 1040 OG1 THR A 69 3.062 0.366 8.714 1.00 0.00 O ATOM 1041 CG2 THR A 69 5.398 0.011 9.168 1.00 0.00 C ATOM 0 H THR A 69 3.872 2.483 7.202 1.00 0.00 H new ATOM 0 HA THR A 69 5.576 0.187 6.486 1.00 0.00 H new ATOM 0 HB THR A 69 4.146 -1.222 7.956 1.00 0.00 H new ATOM 0 HG1 THR A 69 2.854 -0.097 9.553 1.00 0.00 H new ATOM 0 HG21 THR A 69 5.140 -0.501 10.095 1.00 0.00 H new ATOM 0 HG22 THR A 69 6.316 -0.414 8.762 1.00 0.00 H new ATOM 0 HG23 THR A 69 5.548 1.072 9.369 1.00 0.00 H new ATOM 1049 N VAL A 70 3.708 -0.831 5.077 1.00 0.00 N ATOM 1050 CA VAL A 70 2.705 -1.231 4.106 1.00 0.00 C ATOM 1051 C VAL A 70 1.454 -1.720 4.823 1.00 0.00 C ATOM 1052 O VAL A 70 0.338 -1.484 4.371 1.00 0.00 O ATOM 1053 CB VAL A 70 3.240 -2.311 3.134 1.00 0.00 C ATOM 1054 CG1 VAL A 70 4.015 -3.376 3.877 1.00 0.00 C ATOM 1055 CG2 VAL A 70 2.110 -2.943 2.331 1.00 0.00 C ATOM 0 H VAL A 70 4.524 -1.441 5.126 1.00 0.00 H new ATOM 0 HA VAL A 70 2.453 -0.358 3.505 1.00 0.00 H new ATOM 0 HB VAL A 70 3.916 -1.815 2.438 1.00 0.00 H new ATOM 0 HG11 VAL A 70 4.379 -4.121 3.170 1.00 0.00 H new ATOM 0 HG12 VAL A 70 4.861 -2.919 4.390 1.00 0.00 H new ATOM 0 HG13 VAL A 70 3.364 -3.856 4.608 1.00 0.00 H new ATOM 0 HG21 VAL A 70 2.519 -3.697 1.658 1.00 0.00 H new ATOM 0 HG22 VAL A 70 1.398 -3.411 3.011 1.00 0.00 H new ATOM 0 HG23 VAL A 70 1.603 -2.174 1.748 1.00 0.00 H new ATOM 1065 N GLY A 71 1.651 -2.360 5.967 1.00 0.00 N ATOM 1066 CA GLY A 71 0.535 -2.861 6.737 1.00 0.00 C ATOM 1067 C GLY A 71 -0.421 -1.763 7.156 1.00 0.00 C ATOM 1068 O GLY A 71 -1.640 -1.937 7.096 1.00 0.00 O ATOM 0 H GLY A 71 2.568 -2.541 6.375 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -0.005 -3.603 6.148 1.00 0.00 H new ATOM 0 HA3 GLY A 71 0.910 -3.370 7.625 1.00 0.00 H new ATOM 1072 N ASP A 72 0.135 -0.628 7.569 1.00 0.00 N ATOM 1073 CA ASP A 72 -0.672 0.522 7.970 1.00 0.00 C ATOM 1074 C ASP A 72 -1.504 1.005 6.790 1.00 0.00 C ATOM 1075 O ASP A 72 -2.715 1.175 6.905 1.00 0.00 O ATOM 1076 CB ASP A 72 0.231 1.651 8.473 1.00 0.00 C ATOM 1077 CG ASP A 72 -0.526 2.738 9.213 1.00 0.00 C ATOM 1078 OD1 ASP A 72 -1.299 3.484 8.578 1.00 0.00 O ATOM 1079 OD2 ASP A 72 -0.328 2.867 10.439 1.00 0.00 O ATOM 0 H ASP A 72 1.142 -0.479 7.635 1.00 0.00 H new ATOM 0 HA ASP A 72 -1.340 0.222 8.778 1.00 0.00 H new ATOM 0 HB2 ASP A 72 0.991 1.233 9.133 1.00 0.00 H new ATOM 0 HB3 ASP A 72 0.754 2.094 7.625 1.00 0.00 H new ATOM 1084 N ALA A 73 -0.839 1.192 5.648 1.00 0.00 N ATOM 1085 CA ALA A 73 -1.507 1.581 4.406 1.00 0.00 C ATOM 1086 C ALA A 73 -2.649 0.657 4.092 1.00 0.00 C ATOM 1087 O ALA A 73 -3.779 1.082 3.873 1.00 0.00 O ATOM 1088 CB ALA A 73 -0.550 1.503 3.241 1.00 0.00 C ATOM 0 H ALA A 73 0.171 1.079 5.559 1.00 0.00 H new ATOM 0 HA ALA A 73 -1.868 2.599 4.550 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -1.066 1.796 2.326 1.00 0.00 H new ATOM 0 HB2 ALA A 73 0.291 2.175 3.415 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -0.183 0.482 3.139 1.00 0.00 H new ATOM 1094 N THR A 74 -2.318 -0.617 4.056 1.00 0.00 N ATOM 1095 CA THR A 74 -3.250 -1.635 3.659 1.00 0.00 C ATOM 1096 C THR A 74 -4.482 -1.614 4.555 1.00 0.00 C ATOM 1097 O THR A 74 -5.601 -1.565 4.066 1.00 0.00 O ATOM 1098 CB THR A 74 -2.587 -3.022 3.685 1.00 0.00 C ATOM 1099 OG1 THR A 74 -1.293 -2.964 3.073 1.00 0.00 O ATOM 1100 CG2 THR A 74 -3.426 -4.005 2.922 1.00 0.00 C ATOM 0 H THR A 74 -1.393 -0.969 4.303 1.00 0.00 H new ATOM 0 HA THR A 74 -3.565 -1.427 2.636 1.00 0.00 H new ATOM 0 HB THR A 74 -2.492 -3.336 4.725 1.00 0.00 H new ATOM 0 HG1 THR A 74 -0.622 -2.732 3.748 1.00 0.00 H new ATOM 0 HG21 THR A 74 -2.950 -4.985 2.945 1.00 0.00 H new ATOM 0 HG22 THR A 74 -4.414 -4.071 3.378 1.00 0.00 H new ATOM 0 HG23 THR A 74 -3.525 -3.674 1.888 1.00 0.00 H new ATOM 1108 N LYS A 75 -4.265 -1.582 5.864 1.00 0.00 N ATOM 1109 CA LYS A 75 -5.368 -1.592 6.817 1.00 0.00 C ATOM 1110 C LYS A 75 -6.137 -0.270 6.750 1.00 0.00 C ATOM 1111 O LYS A 75 -7.333 -0.223 7.016 1.00 0.00 O ATOM 1112 CB LYS A 75 -4.842 -1.833 8.234 1.00 0.00 C ATOM 1113 CG LYS A 75 -5.763 -2.683 9.107 1.00 0.00 C ATOM 1114 CD LYS A 75 -5.902 -4.104 8.570 1.00 0.00 C ATOM 1115 CE LYS A 75 -6.575 -5.032 9.578 1.00 0.00 C ATOM 1116 NZ LYS A 75 -7.927 -4.556 9.982 1.00 0.00 N ATOM 0 H LYS A 75 -3.338 -1.549 6.289 1.00 0.00 H new ATOM 0 HA LYS A 75 -6.048 -2.403 6.557 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -3.869 -2.320 8.170 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -4.686 -0.870 8.720 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -5.372 -2.716 10.124 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -6.747 -2.216 9.159 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -6.483 -4.088 7.648 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -4.916 -4.495 8.319 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -6.659 -6.030 9.148 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -5.945 -5.119 10.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -8.374 -5.263 10.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -7.839 -3.655 10.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -8.514 -4.417 9.135 1.00 0.00 H new ATOM 1130 N TYR A 76 -5.435 0.800 6.387 1.00 0.00 N ATOM 1131 CA TYR A 76 -6.054 2.104 6.155 1.00 0.00 C ATOM 1132 C TYR A 76 -6.993 2.025 4.949 1.00 0.00 C ATOM 1133 O TYR A 76 -8.131 2.495 4.998 1.00 0.00 O ATOM 1134 CB TYR A 76 -4.959 3.151 5.921 1.00 0.00 C ATOM 1135 CG TYR A 76 -5.457 4.566 5.699 1.00 0.00 C ATOM 1136 CD1 TYR A 76 -5.974 5.318 6.749 1.00 0.00 C ATOM 1137 CD2 TYR A 76 -5.379 5.162 4.444 1.00 0.00 C ATOM 1138 CE1 TYR A 76 -6.404 6.618 6.552 1.00 0.00 C ATOM 1139 CE2 TYR A 76 -5.811 6.461 4.241 1.00 0.00 C ATOM 1140 CZ TYR A 76 -6.316 7.185 5.298 1.00 0.00 C ATOM 1141 OH TYR A 76 -6.732 8.481 5.100 1.00 0.00 O ATOM 0 H TYR A 76 -4.425 0.789 6.246 1.00 0.00 H new ATOM 0 HA TYR A 76 -6.639 2.395 7.028 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -4.288 3.150 6.780 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -4.370 2.850 5.055 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -6.041 4.880 7.734 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -4.974 4.601 3.614 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -6.807 7.187 7.377 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -5.752 6.905 3.258 1.00 0.00 H new ATOM 0 HH TYR A 76 -5.996 9.095 5.302 1.00 0.00 H new ATOM 1151 N ILE A 77 -6.500 1.413 3.876 1.00 0.00 N ATOM 1152 CA ILE A 77 -7.302 1.153 2.683 1.00 0.00 C ATOM 1153 C ILE A 77 -8.466 0.220 3.019 1.00 0.00 C ATOM 1154 O ILE A 77 -9.570 0.369 2.504 1.00 0.00 O ATOM 1155 CB ILE A 77 -6.436 0.520 1.563 1.00 0.00 C ATOM 1156 CG1 ILE A 77 -5.399 1.527 1.064 1.00 0.00 C ATOM 1157 CG2 ILE A 77 -7.297 0.035 0.404 1.00 0.00 C ATOM 1158 CD1 ILE A 77 -4.399 0.941 0.089 1.00 0.00 C ATOM 0 H ILE A 77 -5.537 1.084 3.808 1.00 0.00 H new ATOM 0 HA ILE A 77 -7.694 2.106 2.327 1.00 0.00 H new ATOM 0 HB ILE A 77 -5.922 -0.344 1.984 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -5.915 2.359 0.585 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -4.862 1.936 1.920 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -6.660 -0.403 -0.364 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -8.001 -0.716 0.763 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -7.847 0.876 -0.018 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -3.696 1.715 -0.220 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -3.855 0.128 0.570 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -4.925 0.558 -0.786 1.00 0.00 H new ATOM 1170 N LEU A 78 -8.203 -0.730 3.903 1.00 0.00 N ATOM 1171 CA LEU A 78 -9.197 -1.712 4.316 1.00 0.00 C ATOM 1172 C LEU A 78 -10.291 -1.083 5.178 1.00 0.00 C ATOM 1173 O LEU A 78 -11.445 -1.514 5.147 1.00 0.00 O ATOM 1174 CB LEU A 78 -8.507 -2.847 5.075 1.00 0.00 C ATOM 1175 CG LEU A 78 -7.490 -3.646 4.254 1.00 0.00 C ATOM 1176 CD1 LEU A 78 -6.854 -4.738 5.100 1.00 0.00 C ATOM 1177 CD2 LEU A 78 -8.167 -4.242 3.031 1.00 0.00 C ATOM 0 H LEU A 78 -7.296 -0.843 4.355 1.00 0.00 H new ATOM 0 HA LEU A 78 -9.678 -2.108 3.421 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -8.001 -2.428 5.945 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -9.269 -3.531 5.448 1.00 0.00 H new ATOM 0 HG LEU A 78 -6.699 -2.972 3.925 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -6.135 -5.293 4.497 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -6.343 -4.288 5.951 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -7.627 -5.417 5.459 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -7.438 -4.809 2.452 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -8.973 -4.904 3.348 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -8.576 -3.441 2.415 1.00 0.00 H new ATOM 1189 N ASP A 79 -9.926 -0.067 5.944 1.00 0.00 N ATOM 1190 CA ASP A 79 -10.881 0.619 6.811 1.00 0.00 C ATOM 1191 C ASP A 79 -11.666 1.674 6.036 1.00 0.00 C ATOM 1192 O ASP A 79 -12.881 1.799 6.194 1.00 0.00 O ATOM 1193 CB ASP A 79 -10.153 1.273 7.989 1.00 0.00 C ATOM 1194 CG ASP A 79 -11.088 2.069 8.880 1.00 0.00 C ATOM 1195 OD1 ASP A 79 -11.687 1.473 9.802 1.00 0.00 O ATOM 1196 OD2 ASP A 79 -11.226 3.290 8.667 1.00 0.00 O ATOM 0 H ASP A 79 -8.977 0.303 5.986 1.00 0.00 H new ATOM 0 HA ASP A 79 -11.584 -0.123 7.191 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -9.661 0.502 8.581 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -9.371 1.930 7.609 1.00 0.00 H new ATOM 1201 N HIS A 80 -10.968 2.414 5.187 1.00 0.00 N ATOM 1202 CA HIS A 80 -11.565 3.535 4.469 1.00 0.00 C ATOM 1203 C HIS A 80 -12.032 3.150 3.070 1.00 0.00 C ATOM 1204 O HIS A 80 -12.333 4.027 2.260 1.00 0.00 O ATOM 1205 CB HIS A 80 -10.569 4.691 4.369 1.00 0.00 C ATOM 1206 CG HIS A 80 -10.545 5.566 5.583 1.00 0.00 C ATOM 1207 ND1 HIS A 80 -11.269 6.733 5.674 1.00 0.00 N ATOM 1208 CD2 HIS A 80 -9.878 5.446 6.754 1.00 0.00 C ATOM 1209 CE1 HIS A 80 -11.053 7.291 6.850 1.00 0.00 C ATOM 1210 NE2 HIS A 80 -10.212 6.530 7.527 1.00 0.00 N ATOM 0 H HIS A 80 -9.982 2.259 4.976 1.00 0.00 H new ATOM 0 HA HIS A 80 -12.441 3.843 5.040 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -9.571 4.286 4.203 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -10.816 5.298 3.498 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -9.207 4.646 7.029 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -11.490 8.214 7.200 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -9.868 6.717 8.469 1.00 0.00 H new ATOM 1219 N GLN A 81 -12.099 1.856 2.783 1.00 0.00 N ATOM 1220 CA GLN A 81 -12.551 1.398 1.472 1.00 0.00 C ATOM 1221 C GLN A 81 -14.013 1.773 1.250 1.00 0.00 C ATOM 1222 O GLN A 81 -14.851 1.611 2.143 1.00 0.00 O ATOM 1223 CB GLN A 81 -12.352 -0.111 1.318 1.00 0.00 C ATOM 1224 CG GLN A 81 -13.045 -0.952 2.385 1.00 0.00 C ATOM 1225 CD GLN A 81 -12.753 -2.438 2.249 1.00 0.00 C ATOM 1226 OE1 GLN A 81 -11.559 -2.773 1.779 1.00 0.00 O flip ATOM 1227 NE2 GLN A 81 -13.590 -3.279 2.576 1.00 0.00 N flip ATOM 0 H GLN A 81 -11.849 1.110 3.432 1.00 0.00 H new ATOM 0 HA GLN A 81 -11.947 1.895 0.713 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -12.720 -0.415 0.338 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -11.284 -0.328 1.339 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -12.727 -0.613 3.371 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -14.121 -0.791 2.325 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -14.498 -2.983 2.934 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -13.376 -4.272 2.489 1.00 0.00 H new ATOM 1236 N ALA A 82 -14.312 2.283 0.067 1.00 0.00 N ATOM 1237 CA ALA A 82 -15.646 2.768 -0.229 1.00 0.00 C ATOM 1238 C ALA A 82 -16.052 2.417 -1.650 1.00 0.00 C ATOM 1239 O ALA A 82 -16.006 3.313 -2.515 1.00 0.00 O ATOM 1240 CB ALA A 82 -15.708 4.271 -0.026 1.00 0.00 C ATOM 1241 OXT ALA A 82 -16.413 1.253 -1.898 1.00 0.00 O ATOM 0 H ALA A 82 -13.648 2.371 -0.702 1.00 0.00 H new ATOM 0 HA ALA A 82 -16.344 2.283 0.453 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -16.713 4.627 -0.250 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -15.461 4.509 1.009 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -14.994 4.758 -0.690 1.00 0.00 H new TER 1247 ALA A 82