USER MOD reduce.3.24.130724 H: found=0, std=0, add=469, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 469 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 0 SER OG : rot 180:sc= 0 USER MOD Single : A -4 GLY N :NH3+ -140:sc= -2.45! (180deg=-5.75!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 GLN : amide:sc= -0.0249 K(o=-0.025,f=-1.3!) USER MOD Single : A 79 MET CE :methyl 160:sc= -0.0275 (180deg=-0.581) USER MOD Single : A 80 THR OG1 : rot 180:sc= -0.53 USER MOD Single : A 84 GLN : amide:sc= -0.258 X(o=-0.26,f=-0.26) USER MOD Single : A 90 LYS NZ :NH3+ -148:sc= -0.205 (180deg=-0.99) USER MOD Single : A 91 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot -34:sc= 0.807 USER MOD Single : A 94 GLN : amide:sc= -0.35 X(o=-0.35,f=-0.5) USER MOD Single : A 100 ASN : amide:sc= -0.0313 K(o=-0.031,f=-1.8!) USER MOD Single : A 101 SER OG : rot -119:sc= 0.137 USER MOD Single : A 102 GLN :FLIP amide:sc= 0 F(o=-1.4!,f=0) USER MOD Single : A 112 LYS NZ :NH3+ -161:sc= -0.0307 (180deg=-0.417) USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 119 ASN : amide:sc= -0.0129 K(o=-0.013,f=-0.55) USER MOD Single : A 120 SER OG : rot 68:sc= 1.24 USER MOD Single : A 121 CYS SG : rot 180:sc= 0.00242 USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 129 THR OG1 : rot 180:sc= 0 USER MOD Single : A 131 SER OG : rot -30:sc= 0.14 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -4 -2.917 -30.376 1.496 1.00 0.00 N ATOM 2 CA GLY A -4 -2.649 -31.129 2.753 1.00 0.00 C ATOM 3 C GLY A -4 -1.216 -31.652 2.739 1.00 0.00 C ATOM 4 O GLY A -4 -0.464 -31.454 3.694 1.00 0.00 O ATOM 0 H1 GLY A -4 -3.483 -29.531 1.712 1.00 0.00 H new ATOM 0 H2 GLY A -4 -2.015 -30.088 1.065 1.00 0.00 H new ATOM 0 H3 GLY A -4 -3.440 -30.983 0.832 1.00 0.00 H new ATOM 0 HA2 GLY A -4 -2.802 -30.482 3.617 1.00 0.00 H new ATOM 0 HA3 GLY A -4 -3.349 -31.959 2.848 1.00 0.00 H new ATOM 10 N PRO A -3 -0.829 -32.310 1.677 1.00 0.00 N ATOM 11 CA PRO A -3 0.548 -32.875 1.532 1.00 0.00 C ATOM 12 C PRO A -3 1.622 -31.796 1.671 1.00 0.00 C ATOM 13 O PRO A -3 1.458 -30.677 1.182 1.00 0.00 O ATOM 14 CB PRO A -3 0.552 -33.473 0.114 1.00 0.00 C ATOM 15 CG PRO A -3 -0.889 -33.704 -0.216 1.00 0.00 C ATOM 16 CD PRO A -3 -1.661 -32.594 0.498 1.00 0.00 C ATOM 0 HA PRO A -3 0.775 -33.608 2.306 1.00 0.00 H new ATOM 0 HB2 PRO A -3 1.016 -32.792 -0.600 1.00 0.00 H new ATOM 0 HB3 PRO A -3 1.118 -34.404 0.080 1.00 0.00 H new ATOM 0 HG2 PRO A -3 -1.055 -33.666 -1.293 1.00 0.00 H new ATOM 0 HG3 PRO A -3 -1.215 -34.688 0.122 1.00 0.00 H new ATOM 0 HD2 PRO A -3 -1.777 -31.714 -0.134 1.00 0.00 H new ATOM 0 HD3 PRO A -3 -2.663 -32.918 0.781 1.00 0.00 H new ATOM 24 N LEU A -2 2.720 -32.139 2.342 1.00 0.00 N ATOM 25 CA LEU A -2 3.821 -31.201 2.544 1.00 0.00 C ATOM 26 C LEU A -2 5.064 -31.673 1.804 1.00 0.00 C ATOM 27 O LEU A -2 5.416 -32.852 1.843 1.00 0.00 O ATOM 28 CB LEU A -2 4.134 -31.071 4.039 1.00 0.00 C ATOM 29 CG LEU A -2 2.847 -30.715 4.825 1.00 0.00 C ATOM 30 CD1 LEU A -2 2.163 -31.987 5.347 1.00 0.00 C ATOM 31 CD2 LEU A -2 3.197 -29.812 6.018 1.00 0.00 C ATOM 0 H LEU A -2 2.870 -33.060 2.755 1.00 0.00 H new ATOM 0 HA LEU A -2 3.522 -30.229 2.151 1.00 0.00 H new ATOM 0 HB2 LEU A -2 4.551 -32.006 4.414 1.00 0.00 H new ATOM 0 HB3 LEU A -2 4.889 -30.300 4.194 1.00 0.00 H new ATOM 0 HG LEU A -2 2.168 -30.194 4.150 1.00 0.00 H new ATOM 0 HD11 LEU A -2 1.261 -31.716 5.896 1.00 0.00 H new ATOM 0 HD12 LEU A -2 1.897 -32.628 4.507 1.00 0.00 H new ATOM 0 HD13 LEU A -2 2.844 -32.521 6.009 1.00 0.00 H new ATOM 0 HD21 LEU A -2 2.288 -29.565 6.567 1.00 0.00 H new ATOM 0 HD22 LEU A -2 3.889 -30.334 6.679 1.00 0.00 H new ATOM 0 HD23 LEU A -2 3.663 -28.895 5.656 1.00 0.00 H new ATOM 43 N GLY A -1 5.725 -30.740 1.135 1.00 0.00 N ATOM 44 CA GLY A -1 6.931 -31.059 0.386 1.00 0.00 C ATOM 45 C GLY A -1 7.668 -29.788 -0.017 1.00 0.00 C ATOM 46 O GLY A -1 7.501 -29.291 -1.128 1.00 0.00 O ATOM 0 H GLY A -1 5.448 -29.759 1.095 1.00 0.00 H new ATOM 0 HA2 GLY A -1 7.585 -31.688 0.991 1.00 0.00 H new ATOM 0 HA3 GLY A -1 6.671 -31.632 -0.504 1.00 0.00 H new ATOM 50 N SER A 0 8.487 -29.273 0.894 1.00 0.00 N ATOM 51 CA SER A 0 9.250 -28.057 0.630 1.00 0.00 C ATOM 52 C SER A 0 10.292 -28.303 -0.456 1.00 0.00 C ATOM 53 O SER A 0 10.840 -27.362 -1.030 1.00 0.00 O ATOM 54 CB SER A 0 9.945 -27.586 1.906 1.00 0.00 C ATOM 55 OG SER A 0 8.964 -27.185 2.853 1.00 0.00 O ATOM 0 H SER A 0 8.640 -29.676 1.818 1.00 0.00 H new ATOM 0 HA SER A 0 8.559 -27.287 0.288 1.00 0.00 H new ATOM 0 HB2 SER A 0 10.558 -28.388 2.317 1.00 0.00 H new ATOM 0 HB3 SER A 0 10.614 -26.755 1.684 1.00 0.00 H new ATOM 0 HG SER A 0 9.406 -26.884 3.674 1.00 0.00 H new ATOM 61 N ARG A 74 10.566 -29.570 -0.729 1.00 0.00 N ATOM 62 CA ARG A 74 11.548 -29.926 -1.743 1.00 0.00 C ATOM 63 C ARG A 74 11.108 -29.422 -3.112 1.00 0.00 C ATOM 64 O ARG A 74 11.940 -29.120 -3.968 1.00 0.00 O ATOM 65 CB ARG A 74 11.726 -31.445 -1.795 1.00 0.00 C ATOM 66 CG ARG A 74 12.919 -31.790 -2.692 1.00 0.00 C ATOM 67 CD ARG A 74 13.065 -33.309 -2.786 1.00 0.00 C ATOM 68 NE ARG A 74 11.976 -33.877 -3.572 1.00 0.00 N ATOM 69 CZ ARG A 74 11.833 -35.191 -3.699 1.00 0.00 C ATOM 70 NH1 ARG A 74 12.670 -36.000 -3.105 1.00 0.00 N ATOM 71 NH2 ARG A 74 10.856 -35.676 -4.417 1.00 0.00 N ATOM 0 H ARG A 74 10.125 -30.365 -0.266 1.00 0.00 H new ATOM 0 HA ARG A 74 12.497 -29.459 -1.479 1.00 0.00 H new ATOM 0 HB2 ARG A 74 11.887 -31.837 -0.791 1.00 0.00 H new ATOM 0 HB3 ARG A 74 10.821 -31.915 -2.179 1.00 0.00 H new ATOM 0 HG2 ARG A 74 12.775 -31.366 -3.686 1.00 0.00 H new ATOM 0 HG3 ARG A 74 13.831 -31.351 -2.287 1.00 0.00 H new ATOM 0 HD2 ARG A 74 14.022 -33.561 -3.243 1.00 0.00 H new ATOM 0 HD3 ARG A 74 13.065 -33.743 -1.786 1.00 0.00 H new ATOM 0 HE ARG A 74 11.312 -33.254 -4.032 1.00 0.00 H new ATOM 0 HH11 ARG A 74 13.433 -35.622 -2.544 1.00 0.00 H new ATOM 0 HH12 ARG A 74 12.560 -37.009 -3.203 1.00 0.00 H new ATOM 0 HH21 ARG A 74 10.202 -35.045 -4.881 1.00 0.00 H new ATOM 0 HH22 ARG A 74 10.747 -36.685 -4.514 1.00 0.00 H new ATOM 85 N LYS A 75 9.796 -29.340 -3.322 1.00 0.00 N ATOM 86 CA LYS A 75 9.267 -28.883 -4.606 1.00 0.00 C ATOM 87 C LYS A 75 9.205 -27.363 -4.662 1.00 0.00 C ATOM 88 O LYS A 75 8.947 -26.777 -5.716 1.00 0.00 O ATOM 89 CB LYS A 75 7.857 -29.459 -4.823 1.00 0.00 C ATOM 90 CG LYS A 75 7.516 -29.488 -6.322 1.00 0.00 C ATOM 91 CD LYS A 75 8.060 -30.772 -6.959 1.00 0.00 C ATOM 92 CE LYS A 75 7.671 -30.813 -8.435 1.00 0.00 C ATOM 93 NZ LYS A 75 8.146 -32.090 -9.032 1.00 0.00 N ATOM 0 H LYS A 75 9.087 -29.581 -2.629 1.00 0.00 H new ATOM 0 HA LYS A 75 9.936 -29.233 -5.393 1.00 0.00 H new ATOM 0 HB2 LYS A 75 7.801 -30.467 -4.411 1.00 0.00 H new ATOM 0 HB3 LYS A 75 7.124 -28.855 -4.288 1.00 0.00 H new ATOM 0 HG2 LYS A 75 6.436 -29.434 -6.459 1.00 0.00 H new ATOM 0 HG3 LYS A 75 7.944 -28.617 -6.818 1.00 0.00 H new ATOM 0 HD2 LYS A 75 9.145 -30.810 -6.857 1.00 0.00 H new ATOM 0 HD3 LYS A 75 7.660 -31.645 -6.442 1.00 0.00 H new ATOM 0 HE2 LYS A 75 6.589 -30.729 -8.541 1.00 0.00 H new ATOM 0 HE3 LYS A 75 8.110 -29.966 -8.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 7.883 -32.122 -10.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 9.180 -32.152 -8.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 7.707 -32.891 -8.534 1.00 0.00 H new ATOM 107 N ILE A 76 9.449 -26.737 -3.525 1.00 0.00 N ATOM 108 CA ILE A 76 9.427 -25.277 -3.441 1.00 0.00 C ATOM 109 C ILE A 76 10.800 -24.711 -3.792 1.00 0.00 C ATOM 110 O ILE A 76 11.810 -25.087 -3.198 1.00 0.00 O ATOM 111 CB ILE A 76 9.008 -24.833 -2.022 1.00 0.00 C ATOM 112 CG1 ILE A 76 7.485 -24.958 -1.875 1.00 0.00 C ATOM 113 CG2 ILE A 76 9.416 -23.371 -1.785 1.00 0.00 C ATOM 114 CD1 ILE A 76 7.038 -26.363 -2.289 1.00 0.00 C ATOM 0 H ILE A 76 9.665 -27.209 -2.647 1.00 0.00 H new ATOM 0 HA ILE A 76 8.699 -24.892 -4.155 1.00 0.00 H new ATOM 0 HB ILE A 76 9.506 -25.470 -1.291 1.00 0.00 H new ATOM 0 HG12 ILE A 76 7.193 -24.763 -0.843 1.00 0.00 H new ATOM 0 HG13 ILE A 76 6.988 -24.211 -2.494 1.00 0.00 H new ATOM 0 HG21 ILE A 76 9.116 -23.068 -0.782 1.00 0.00 H new ATOM 0 HG22 ILE A 76 10.497 -23.274 -1.886 1.00 0.00 H new ATOM 0 HG23 ILE A 76 8.925 -22.733 -2.519 1.00 0.00 H new ATOM 0 HD11 ILE A 76 5.956 -26.447 -2.183 1.00 0.00 H new ATOM 0 HD12 ILE A 76 7.316 -26.542 -3.328 1.00 0.00 H new ATOM 0 HD13 ILE A 76 7.523 -27.102 -1.651 1.00 0.00 H new ATOM 126 N ALA A 77 10.821 -23.792 -4.750 1.00 0.00 N ATOM 127 CA ALA A 77 12.066 -23.160 -5.162 1.00 0.00 C ATOM 128 C ALA A 77 12.442 -22.045 -4.191 1.00 0.00 C ATOM 129 O ALA A 77 11.590 -21.518 -3.476 1.00 0.00 O ATOM 130 CB ALA A 77 11.920 -22.586 -6.571 1.00 0.00 C ATOM 0 H ALA A 77 9.994 -23.470 -5.253 1.00 0.00 H new ATOM 0 HA ALA A 77 12.854 -23.913 -5.159 1.00 0.00 H new ATOM 0 HB1 ALA A 77 12.856 -22.115 -6.871 1.00 0.00 H new ATOM 0 HB2 ALA A 77 11.678 -23.389 -7.268 1.00 0.00 H new ATOM 0 HB3 ALA A 77 11.121 -21.844 -6.581 1.00 0.00 H new ATOM 136 N GLN A 78 13.722 -21.691 -4.172 1.00 0.00 N ATOM 137 CA GLN A 78 14.204 -20.635 -3.286 1.00 0.00 C ATOM 138 C GLN A 78 13.605 -19.290 -3.681 1.00 0.00 C ATOM 139 O GLN A 78 13.216 -19.086 -4.831 1.00 0.00 O ATOM 140 CB GLN A 78 15.730 -20.554 -3.354 1.00 0.00 C ATOM 141 CG GLN A 78 16.340 -21.787 -2.685 1.00 0.00 C ATOM 142 CD GLN A 78 17.844 -21.824 -2.932 1.00 0.00 C ATOM 143 OE1 GLN A 78 18.313 -21.379 -3.978 1.00 0.00 O ATOM 144 NE2 GLN A 78 18.633 -22.319 -2.018 1.00 0.00 N ATOM 0 H GLN A 78 14.442 -22.116 -4.756 1.00 0.00 H new ATOM 0 HA GLN A 78 13.897 -20.872 -2.267 1.00 0.00 H new ATOM 0 HB2 GLN A 78 16.055 -20.493 -4.393 1.00 0.00 H new ATOM 0 HB3 GLN A 78 16.079 -19.648 -2.857 1.00 0.00 H new ATOM 0 HG2 GLN A 78 16.140 -21.766 -1.614 1.00 0.00 H new ATOM 0 HG3 GLN A 78 15.876 -22.691 -3.079 1.00 0.00 H new ATOM 0 HE21 GLN A 78 18.241 -22.687 -1.151 1.00 0.00 H new ATOM 0 HE22 GLN A 78 19.641 -22.337 -2.170 1.00 0.00 H new ATOM 153 N MET A 79 13.527 -18.376 -2.720 1.00 0.00 N ATOM 154 CA MET A 79 12.966 -17.055 -2.977 1.00 0.00 C ATOM 155 C MET A 79 13.829 -16.297 -3.979 1.00 0.00 C ATOM 156 O MET A 79 15.055 -16.401 -3.960 1.00 0.00 O ATOM 157 CB MET A 79 12.882 -16.265 -1.670 1.00 0.00 C ATOM 158 CG MET A 79 11.830 -16.897 -0.757 1.00 0.00 C ATOM 159 SD MET A 79 11.903 -16.128 0.882 1.00 0.00 S ATOM 160 CE MET A 79 11.244 -14.505 0.419 1.00 0.00 C ATOM 0 H MET A 79 13.843 -18.524 -1.762 1.00 0.00 H new ATOM 0 HA MET A 79 11.966 -17.175 -3.394 1.00 0.00 H new ATOM 0 HB2 MET A 79 13.853 -16.259 -1.174 1.00 0.00 H new ATOM 0 HB3 MET A 79 12.623 -15.227 -1.877 1.00 0.00 H new ATOM 0 HG2 MET A 79 10.837 -16.767 -1.186 1.00 0.00 H new ATOM 0 HG3 MET A 79 12.004 -17.970 -0.674 1.00 0.00 H new ATOM 0 HE1 MET A 79 10.873 -13.996 1.308 1.00 0.00 H new ATOM 0 HE2 MET A 79 12.034 -13.908 -0.038 1.00 0.00 H new ATOM 0 HE3 MET A 79 10.428 -14.633 -0.293 1.00 0.00 H new ATOM 170 N THR A 80 13.180 -15.537 -4.857 1.00 0.00 N ATOM 171 CA THR A 80 13.899 -14.767 -5.867 1.00 0.00 C ATOM 172 C THR A 80 14.452 -13.483 -5.263 1.00 0.00 C ATOM 173 O THR A 80 14.094 -13.105 -4.150 1.00 0.00 O ATOM 174 CB THR A 80 12.968 -14.430 -7.033 1.00 0.00 C ATOM 175 OG1 THR A 80 11.931 -13.583 -6.572 1.00 0.00 O ATOM 176 CG2 THR A 80 12.365 -15.717 -7.597 1.00 0.00 C ATOM 0 H THR A 80 12.165 -15.438 -4.890 1.00 0.00 H new ATOM 0 HA THR A 80 14.730 -15.370 -6.234 1.00 0.00 H new ATOM 0 HB THR A 80 13.533 -13.924 -7.816 1.00 0.00 H new ATOM 0 HG1 THR A 80 11.333 -13.363 -7.317 1.00 0.00 H new ATOM 0 HG21 THR A 80 11.702 -15.475 -8.428 1.00 0.00 H new ATOM 0 HG22 THR A 80 13.164 -16.369 -7.949 1.00 0.00 H new ATOM 0 HG23 THR A 80 11.798 -16.226 -6.817 1.00 0.00 H new ATOM 184 N GLU A 82 15.331 -12.819 -6.004 1.00 0.00 N ATOM 185 CA GLU A 82 15.932 -11.584 -5.520 1.00 0.00 C ATOM 186 C GLU A 82 14.855 -10.532 -5.288 1.00 0.00 C ATOM 187 O GLU A 82 14.900 -9.795 -4.303 1.00 0.00 O ATOM 188 CB GLU A 82 16.949 -11.064 -6.538 1.00 0.00 C ATOM 189 CG GLU A 82 18.121 -12.042 -6.643 1.00 0.00 C ATOM 190 CD GLU A 82 18.887 -12.097 -5.326 1.00 0.00 C ATOM 191 OE1 GLU A 82 18.865 -11.111 -4.610 1.00 0.00 O ATOM 192 OE2 GLU A 82 19.480 -13.126 -5.051 1.00 0.00 O ATOM 0 H GLU A 82 15.640 -13.111 -6.931 1.00 0.00 H new ATOM 0 HA GLU A 82 16.440 -11.787 -4.577 1.00 0.00 H new ATOM 0 HB2 GLU A 82 16.474 -10.945 -7.512 1.00 0.00 H new ATOM 0 HB3 GLU A 82 17.310 -10.081 -6.236 1.00 0.00 H new ATOM 0 HG2 GLU A 82 17.752 -13.035 -6.898 1.00 0.00 H new ATOM 0 HG3 GLU A 82 18.789 -11.734 -7.447 1.00 0.00 H new ATOM 199 N GLU A 83 13.879 -10.472 -6.190 1.00 0.00 N ATOM 200 CA GLU A 83 12.794 -9.509 -6.049 1.00 0.00 C ATOM 201 C GLU A 83 12.005 -9.819 -4.784 1.00 0.00 C ATOM 202 O GLU A 83 11.653 -8.919 -4.020 1.00 0.00 O ATOM 203 CB GLU A 83 11.864 -9.573 -7.268 1.00 0.00 C ATOM 204 CG GLU A 83 10.756 -8.519 -7.138 1.00 0.00 C ATOM 205 CD GLU A 83 11.364 -7.122 -7.132 1.00 0.00 C ATOM 206 OE1 GLU A 83 12.479 -6.981 -7.607 1.00 0.00 O ATOM 207 OE2 GLU A 83 10.711 -6.211 -6.647 1.00 0.00 O ATOM 0 H GLU A 83 13.818 -11.070 -7.014 1.00 0.00 H new ATOM 0 HA GLU A 83 13.215 -8.506 -5.982 1.00 0.00 H new ATOM 0 HB2 GLU A 83 12.435 -9.402 -8.181 1.00 0.00 H new ATOM 0 HB3 GLU A 83 11.424 -10.567 -7.349 1.00 0.00 H new ATOM 0 HG2 GLU A 83 10.053 -8.615 -7.965 1.00 0.00 H new ATOM 0 HG3 GLU A 83 10.192 -8.683 -6.220 1.00 0.00 H new ATOM 214 N GLN A 84 11.741 -11.103 -4.565 1.00 0.00 N ATOM 215 CA GLN A 84 11.002 -11.533 -3.386 1.00 0.00 C ATOM 216 C GLN A 84 11.782 -11.191 -2.126 1.00 0.00 C ATOM 217 O GLN A 84 11.215 -10.739 -1.130 1.00 0.00 O ATOM 218 CB GLN A 84 10.762 -13.043 -3.449 1.00 0.00 C ATOM 219 CG GLN A 84 9.722 -13.357 -4.531 1.00 0.00 C ATOM 220 CD GLN A 84 8.354 -12.831 -4.113 1.00 0.00 C ATOM 221 OE1 GLN A 84 7.814 -11.927 -4.749 1.00 0.00 O ATOM 222 NE2 GLN A 84 7.760 -13.349 -3.073 1.00 0.00 N ATOM 0 H GLN A 84 12.027 -11.860 -5.186 1.00 0.00 H new ATOM 0 HA GLN A 84 10.043 -11.015 -3.361 1.00 0.00 H new ATOM 0 HB2 GLN A 84 11.696 -13.560 -3.668 1.00 0.00 H new ATOM 0 HB3 GLN A 84 10.415 -13.406 -2.482 1.00 0.00 H new ATOM 0 HG2 GLN A 84 10.021 -12.904 -5.476 1.00 0.00 H new ATOM 0 HG3 GLN A 84 9.671 -14.433 -4.696 1.00 0.00 H new ATOM 0 HE21 GLN A 84 8.211 -14.098 -2.549 1.00 0.00 H new ATOM 0 HE22 GLN A 84 6.844 -13.005 -2.785 1.00 0.00 H new ATOM 231 N PHE A 85 13.090 -11.401 -2.182 1.00 0.00 N ATOM 232 CA PHE A 85 13.953 -11.105 -1.050 1.00 0.00 C ATOM 233 C PHE A 85 13.903 -9.619 -0.715 1.00 0.00 C ATOM 234 O PHE A 85 13.730 -9.239 0.441 1.00 0.00 O ATOM 235 CB PHE A 85 15.390 -11.504 -1.381 1.00 0.00 C ATOM 236 CG PHE A 85 16.290 -11.155 -0.221 1.00 0.00 C ATOM 237 CD1 PHE A 85 16.369 -12.009 0.885 1.00 0.00 C ATOM 238 CD2 PHE A 85 17.044 -9.975 -0.249 1.00 0.00 C ATOM 239 CE1 PHE A 85 17.201 -11.684 1.962 1.00 0.00 C ATOM 240 CE2 PHE A 85 17.876 -9.650 0.828 1.00 0.00 C ATOM 241 CZ PHE A 85 17.955 -10.506 1.933 1.00 0.00 C ATOM 0 H PHE A 85 13.575 -11.774 -2.998 1.00 0.00 H new ATOM 0 HA PHE A 85 13.603 -11.672 -0.188 1.00 0.00 H new ATOM 0 HB2 PHE A 85 15.443 -12.573 -1.587 1.00 0.00 H new ATOM 0 HB3 PHE A 85 15.723 -10.988 -2.282 1.00 0.00 H new ATOM 0 HD1 PHE A 85 15.788 -12.919 0.907 1.00 0.00 H new ATOM 0 HD2 PHE A 85 16.983 -9.316 -1.102 1.00 0.00 H new ATOM 0 HE1 PHE A 85 17.261 -12.343 2.816 1.00 0.00 H new ATOM 0 HE2 PHE A 85 18.457 -8.740 0.807 1.00 0.00 H new ATOM 0 HZ PHE A 85 18.599 -10.257 2.764 1.00 0.00 H new ATOM 251 N ALA A 86 14.056 -8.782 -1.733 1.00 0.00 N ATOM 252 CA ALA A 86 14.033 -7.339 -1.530 1.00 0.00 C ATOM 253 C ALA A 86 12.690 -6.895 -0.963 1.00 0.00 C ATOM 254 O ALA A 86 12.629 -6.021 -0.097 1.00 0.00 O ATOM 255 CB ALA A 86 14.288 -6.623 -2.857 1.00 0.00 C ATOM 0 H ALA A 86 14.196 -9.074 -2.700 1.00 0.00 H new ATOM 0 HA ALA A 86 14.817 -7.080 -0.818 1.00 0.00 H new ATOM 0 HB1 ALA A 86 14.269 -5.545 -2.698 1.00 0.00 H new ATOM 0 HB2 ALA A 86 15.263 -6.916 -3.247 1.00 0.00 H new ATOM 0 HB3 ALA A 86 13.514 -6.898 -3.573 1.00 0.00 H new ATOM 261 N LEU A 87 11.618 -7.496 -1.461 1.00 0.00 N ATOM 262 CA LEU A 87 10.281 -7.145 -1.001 1.00 0.00 C ATOM 263 C LEU A 87 10.111 -7.521 0.470 1.00 0.00 C ATOM 264 O LEU A 87 9.485 -6.794 1.241 1.00 0.00 O ATOM 265 CB LEU A 87 9.226 -7.866 -1.862 1.00 0.00 C ATOM 266 CG LEU A 87 7.975 -6.990 -2.018 1.00 0.00 C ATOM 267 CD1 LEU A 87 6.933 -7.731 -2.861 1.00 0.00 C ATOM 268 CD2 LEU A 87 7.392 -6.654 -0.638 1.00 0.00 C ATOM 0 H LEU A 87 11.646 -8.222 -2.177 1.00 0.00 H new ATOM 0 HA LEU A 87 10.144 -6.068 -1.101 1.00 0.00 H new ATOM 0 HB2 LEU A 87 9.642 -8.095 -2.843 1.00 0.00 H new ATOM 0 HB3 LEU A 87 8.957 -8.816 -1.400 1.00 0.00 H new ATOM 0 HG LEU A 87 8.248 -6.061 -2.518 1.00 0.00 H new ATOM 0 HD11 LEU A 87 6.045 -7.109 -2.971 1.00 0.00 H new ATOM 0 HD12 LEU A 87 7.349 -7.948 -3.845 1.00 0.00 H new ATOM 0 HD13 LEU A 87 6.663 -8.664 -2.367 1.00 0.00 H new ATOM 0 HD21 LEU A 87 6.505 -6.032 -0.759 1.00 0.00 H new ATOM 0 HD22 LEU A 87 7.121 -7.576 -0.123 1.00 0.00 H new ATOM 0 HD23 LEU A 87 8.135 -6.115 -0.050 1.00 0.00 H new ATOM 280 N ALA A 88 10.668 -8.663 0.854 1.00 0.00 N ATOM 281 CA ALA A 88 10.556 -9.122 2.231 1.00 0.00 C ATOM 282 C ALA A 88 11.173 -8.108 3.187 1.00 0.00 C ATOM 283 O ALA A 88 10.605 -7.805 4.237 1.00 0.00 O ATOM 284 CB ALA A 88 11.269 -10.466 2.386 1.00 0.00 C ATOM 0 H ALA A 88 11.196 -9.282 0.238 1.00 0.00 H new ATOM 0 HA ALA A 88 9.499 -9.235 2.473 1.00 0.00 H new ATOM 0 HB1 ALA A 88 11.183 -10.807 3.418 1.00 0.00 H new ATOM 0 HB2 ALA A 88 10.811 -11.200 1.723 1.00 0.00 H new ATOM 0 HB3 ALA A 88 12.322 -10.351 2.128 1.00 0.00 H new ATOM 290 N LEU A 89 12.329 -7.575 2.812 1.00 0.00 N ATOM 291 CA LEU A 89 13.003 -6.586 3.645 1.00 0.00 C ATOM 292 C LEU A 89 12.202 -5.288 3.699 1.00 0.00 C ATOM 293 O LEU A 89 12.046 -4.685 4.762 1.00 0.00 O ATOM 294 CB LEU A 89 14.411 -6.317 3.084 1.00 0.00 C ATOM 295 CG LEU A 89 15.427 -7.291 3.713 1.00 0.00 C ATOM 296 CD1 LEU A 89 15.632 -6.969 5.213 1.00 0.00 C ATOM 297 CD2 LEU A 89 14.920 -8.737 3.547 1.00 0.00 C ATOM 0 H LEU A 89 12.816 -7.807 1.946 1.00 0.00 H new ATOM 0 HA LEU A 89 13.085 -6.977 4.659 1.00 0.00 H new ATOM 0 HB2 LEU A 89 14.407 -6.433 2.000 1.00 0.00 H new ATOM 0 HB3 LEU A 89 14.704 -5.288 3.294 1.00 0.00 H new ATOM 0 HG LEU A 89 16.385 -7.181 3.205 1.00 0.00 H new ATOM 0 HD11 LEU A 89 16.352 -7.667 5.640 1.00 0.00 H new ATOM 0 HD12 LEU A 89 16.007 -5.951 5.319 1.00 0.00 H new ATOM 0 HD13 LEU A 89 14.682 -7.062 5.738 1.00 0.00 H new ATOM 0 HD21 LEU A 89 15.637 -9.427 3.991 1.00 0.00 H new ATOM 0 HD22 LEU A 89 13.957 -8.844 4.045 1.00 0.00 H new ATOM 0 HD23 LEU A 89 14.807 -8.964 2.487 1.00 0.00 H new ATOM 309 N LYS A 90 11.697 -4.864 2.553 1.00 0.00 N ATOM 310 CA LYS A 90 10.918 -3.638 2.495 1.00 0.00 C ATOM 311 C LYS A 90 9.653 -3.766 3.331 1.00 0.00 C ATOM 312 O LYS A 90 9.268 -2.839 4.041 1.00 0.00 O ATOM 313 CB LYS A 90 10.557 -3.339 1.040 1.00 0.00 C ATOM 314 CG LYS A 90 11.801 -2.828 0.288 1.00 0.00 C ATOM 315 CD LYS A 90 11.935 -1.302 0.447 1.00 0.00 C ATOM 316 CE LYS A 90 11.116 -0.592 -0.636 1.00 0.00 C ATOM 317 NZ LYS A 90 11.697 -0.913 -1.968 1.00 0.00 N ATOM 0 H LYS A 90 11.810 -5.343 1.660 1.00 0.00 H new ATOM 0 HA LYS A 90 11.513 -2.819 2.900 1.00 0.00 H new ATOM 0 HB2 LYS A 90 10.174 -4.239 0.559 1.00 0.00 H new ATOM 0 HB3 LYS A 90 9.764 -2.593 0.999 1.00 0.00 H new ATOM 0 HG2 LYS A 90 12.694 -3.320 0.673 1.00 0.00 H new ATOM 0 HG3 LYS A 90 11.726 -3.085 -0.769 1.00 0.00 H new ATOM 0 HD2 LYS A 90 11.589 -0.999 1.435 1.00 0.00 H new ATOM 0 HD3 LYS A 90 12.983 -1.010 0.373 1.00 0.00 H new ATOM 0 HE2 LYS A 90 10.075 -0.912 -0.592 1.00 0.00 H new ATOM 0 HE3 LYS A 90 11.126 0.485 -0.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 11.563 -0.105 -2.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 12.713 -1.109 -1.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 11.221 -1.750 -2.362 1.00 0.00 H new ATOM 331 N MET A 91 9.014 -4.924 3.249 1.00 0.00 N ATOM 332 CA MET A 91 7.798 -5.159 4.010 1.00 0.00 C ATOM 333 C MET A 91 8.095 -5.144 5.504 1.00 0.00 C ATOM 334 O MET A 91 7.322 -4.604 6.295 1.00 0.00 O ATOM 335 CB MET A 91 7.188 -6.505 3.611 1.00 0.00 C ATOM 336 CG MET A 91 5.813 -6.669 4.268 1.00 0.00 C ATOM 337 SD MET A 91 4.655 -5.468 3.566 1.00 0.00 S ATOM 338 CE MET A 91 3.220 -5.926 4.565 1.00 0.00 C ATOM 0 H MET A 91 9.314 -5.708 2.669 1.00 0.00 H new ATOM 0 HA MET A 91 7.086 -4.363 3.789 1.00 0.00 H new ATOM 0 HB2 MET A 91 7.092 -6.564 2.527 1.00 0.00 H new ATOM 0 HB3 MET A 91 7.846 -7.318 3.917 1.00 0.00 H new ATOM 0 HG2 MET A 91 5.442 -7.682 4.110 1.00 0.00 H new ATOM 0 HG3 MET A 91 5.894 -6.524 5.345 1.00 0.00 H new ATOM 0 HE1 MET A 91 2.372 -5.298 4.293 1.00 0.00 H new ATOM 0 HE2 MET A 91 2.970 -6.972 4.385 1.00 0.00 H new ATOM 0 HE3 MET A 91 3.452 -5.785 5.621 1.00 0.00 H new ATOM 348 N SER A 92 9.215 -5.749 5.886 1.00 0.00 N ATOM 349 CA SER A 92 9.595 -5.806 7.293 1.00 0.00 C ATOM 350 C SER A 92 9.841 -4.406 7.845 1.00 0.00 C ATOM 351 O SER A 92 9.478 -4.106 8.987 1.00 0.00 O ATOM 352 CB SER A 92 10.859 -6.649 7.452 1.00 0.00 C ATOM 353 OG SER A 92 11.932 -6.022 6.761 1.00 0.00 O ATOM 0 H SER A 92 9.870 -6.202 5.249 1.00 0.00 H new ATOM 0 HA SER A 92 8.778 -6.261 7.853 1.00 0.00 H new ATOM 0 HB2 SER A 92 11.106 -6.759 8.508 1.00 0.00 H new ATOM 0 HB3 SER A 92 10.693 -7.651 7.057 1.00 0.00 H new ATOM 0 HG SER A 92 11.587 -5.570 5.962 1.00 0.00 H new ATOM 359 N GLU A 93 10.457 -3.553 7.030 1.00 0.00 N ATOM 360 CA GLU A 93 10.740 -2.187 7.454 1.00 0.00 C ATOM 361 C GLU A 93 9.447 -1.410 7.676 1.00 0.00 C ATOM 362 O GLU A 93 9.328 -0.646 8.632 1.00 0.00 O ATOM 363 CB GLU A 93 11.587 -1.476 6.396 1.00 0.00 C ATOM 364 CG GLU A 93 13.006 -2.046 6.404 1.00 0.00 C ATOM 365 CD GLU A 93 13.798 -1.496 5.222 1.00 0.00 C ATOM 366 OE1 GLU A 93 13.175 -1.018 4.288 1.00 0.00 O ATOM 367 OE2 GLU A 93 15.015 -1.553 5.273 1.00 0.00 O ATOM 0 H GLU A 93 10.766 -3.780 6.085 1.00 0.00 H new ATOM 0 HA GLU A 93 11.289 -2.229 8.394 1.00 0.00 H new ATOM 0 HB2 GLU A 93 11.139 -1.604 5.411 1.00 0.00 H new ATOM 0 HB3 GLU A 93 11.614 -0.405 6.597 1.00 0.00 H new ATOM 0 HG2 GLU A 93 13.505 -1.787 7.338 1.00 0.00 H new ATOM 0 HG3 GLU A 93 12.970 -3.134 6.353 1.00 0.00 H new ATOM 374 N GLN A 94 8.472 -1.628 6.799 1.00 0.00 N ATOM 375 CA GLN A 94 7.191 -0.939 6.918 1.00 0.00 C ATOM 376 C GLN A 94 6.478 -1.351 8.198 1.00 0.00 C ATOM 377 O GLN A 94 5.844 -0.529 8.860 1.00 0.00 O ATOM 378 CB GLN A 94 6.312 -1.269 5.707 1.00 0.00 C ATOM 379 CG GLN A 94 6.890 -0.615 4.446 1.00 0.00 C ATOM 380 CD GLN A 94 6.837 0.905 4.567 1.00 0.00 C ATOM 381 OE1 GLN A 94 5.788 1.465 4.889 1.00 0.00 O ATOM 382 NE2 GLN A 94 7.911 1.607 4.337 1.00 0.00 N ATOM 0 H GLN A 94 8.542 -2.268 6.008 1.00 0.00 H new ATOM 0 HA GLN A 94 7.375 0.135 6.953 1.00 0.00 H new ATOM 0 HB2 GLN A 94 6.254 -2.349 5.573 1.00 0.00 H new ATOM 0 HB3 GLN A 94 5.296 -0.914 5.877 1.00 0.00 H new ATOM 0 HG2 GLN A 94 7.920 -0.939 4.299 1.00 0.00 H new ATOM 0 HG3 GLN A 94 6.327 -0.937 3.570 1.00 0.00 H new ATOM 0 HE21 GLN A 94 8.778 1.140 4.071 1.00 0.00 H new ATOM 0 HE22 GLN A 94 7.884 2.623 4.423 1.00 0.00 H new ATOM 391 N GLU A 95 6.591 -2.625 8.545 1.00 0.00 N ATOM 392 CA GLU A 95 5.958 -3.128 9.755 1.00 0.00 C ATOM 393 C GLU A 95 6.767 -2.735 10.986 1.00 0.00 C ATOM 394 O GLU A 95 6.258 -2.771 12.106 1.00 0.00 O ATOM 395 CB GLU A 95 5.833 -4.652 9.683 1.00 0.00 C ATOM 396 CG GLU A 95 4.952 -5.036 8.491 1.00 0.00 C ATOM 397 CD GLU A 95 3.525 -4.547 8.715 1.00 0.00 C ATOM 398 OE1 GLU A 95 3.158 -4.357 9.863 1.00 0.00 O ATOM 399 OE2 GLU A 95 2.823 -4.362 7.736 1.00 0.00 O ATOM 0 H GLU A 95 7.110 -3.323 8.012 1.00 0.00 H new ATOM 0 HA GLU A 95 4.964 -2.687 9.835 1.00 0.00 H new ATOM 0 HB2 GLU A 95 6.820 -5.104 9.580 1.00 0.00 H new ATOM 0 HB3 GLU A 95 5.401 -5.036 10.607 1.00 0.00 H new ATOM 0 HG2 GLU A 95 5.354 -4.601 7.576 1.00 0.00 H new ATOM 0 HG3 GLU A 95 4.957 -6.118 8.358 1.00 0.00 H new ATOM 406 N ALA A 96 8.029 -2.361 10.774 1.00 0.00 N ATOM 407 CA ALA A 96 8.896 -1.963 11.879 1.00 0.00 C ATOM 408 C ALA A 96 9.204 -3.160 12.773 1.00 0.00 C ATOM 409 O ALA A 96 9.423 -3.006 13.976 1.00 0.00 O ATOM 410 CB ALA A 96 8.230 -0.858 12.702 1.00 0.00 C ATOM 0 H ALA A 96 8.469 -2.326 9.855 1.00 0.00 H new ATOM 0 HA ALA A 96 9.830 -1.584 11.465 1.00 0.00 H new ATOM 0 HB1 ALA A 96 8.887 -0.570 13.523 1.00 0.00 H new ATOM 0 HB2 ALA A 96 8.043 0.007 12.066 1.00 0.00 H new ATOM 0 HB3 ALA A 96 7.285 -1.223 13.104 1.00 0.00 H new ATOM 416 N ARG A 97 9.204 -4.349 12.183 1.00 0.00 N ATOM 417 CA ARG A 97 9.471 -5.568 12.942 1.00 0.00 C ATOM 418 C ARG A 97 9.566 -6.768 12.004 1.00 0.00 C ATOM 419 O ARG A 97 10.059 -6.645 10.884 1.00 0.00 O ATOM 420 CB ARG A 97 8.357 -5.792 13.973 1.00 0.00 C ATOM 421 CG ARG A 97 7.010 -5.897 13.257 1.00 0.00 C ATOM 422 CD ARG A 97 5.898 -6.076 14.291 1.00 0.00 C ATOM 423 NE ARG A 97 5.838 -4.913 15.170 1.00 0.00 N ATOM 424 CZ ARG A 97 5.218 -3.799 14.798 1.00 0.00 C ATOM 425 NH1 ARG A 97 4.644 -3.731 13.627 1.00 0.00 N ATOM 426 NH2 ARG A 97 5.183 -2.772 15.603 1.00 0.00 N ATOM 0 H ARG A 97 9.024 -4.497 11.190 1.00 0.00 H new ATOM 0 HA ARG A 97 10.423 -5.458 13.462 1.00 0.00 H new ATOM 0 HB2 ARG A 97 8.551 -6.702 14.541 1.00 0.00 H new ATOM 0 HB3 ARG A 97 8.338 -4.969 14.687 1.00 0.00 H new ATOM 0 HG2 ARG A 97 6.830 -5.000 12.664 1.00 0.00 H new ATOM 0 HG3 ARG A 97 7.018 -6.740 12.566 1.00 0.00 H new ATOM 0 HD2 ARG A 97 4.941 -6.210 13.787 1.00 0.00 H new ATOM 0 HD3 ARG A 97 6.078 -6.976 14.878 1.00 0.00 H new ATOM 0 HE ARG A 97 6.281 -4.956 16.088 1.00 0.00 H new ATOM 0 HH11 ARG A 97 4.672 -4.534 12.998 1.00 0.00 H new ATOM 0 HH12 ARG A 97 4.168 -2.875 13.341 1.00 0.00 H new ATOM 0 HH21 ARG A 97 5.632 -2.825 16.517 1.00 0.00 H new ATOM 0 HH22 ARG A 97 4.707 -1.916 15.318 1.00 0.00 H new ATOM 440 N GLU A 98 9.095 -7.923 12.473 1.00 0.00 N ATOM 441 CA GLU A 98 9.126 -9.142 11.676 1.00 0.00 C ATOM 442 C GLU A 98 10.546 -9.678 11.579 1.00 0.00 C ATOM 443 O GLU A 98 11.515 -8.937 11.752 1.00 0.00 O ATOM 444 CB GLU A 98 8.566 -8.867 10.273 1.00 0.00 C ATOM 445 CG GLU A 98 8.063 -10.171 9.645 1.00 0.00 C ATOM 446 CD GLU A 98 6.793 -10.634 10.350 1.00 0.00 C ATOM 447 OE1 GLU A 98 6.143 -9.803 10.964 1.00 0.00 O ATOM 448 OE2 GLU A 98 6.490 -11.812 10.268 1.00 0.00 O ATOM 0 H GLU A 98 8.688 -8.037 13.401 1.00 0.00 H new ATOM 0 HA GLU A 98 8.505 -9.894 12.164 1.00 0.00 H new ATOM 0 HB2 GLU A 98 7.752 -8.145 10.333 1.00 0.00 H new ATOM 0 HB3 GLU A 98 9.339 -8.425 9.644 1.00 0.00 H new ATOM 0 HG2 GLU A 98 7.865 -10.020 8.584 1.00 0.00 H new ATOM 0 HG3 GLU A 98 8.831 -10.940 9.720 1.00 0.00 H new ATOM 455 N VAL A 99 10.665 -10.971 11.310 1.00 0.00 N ATOM 456 CA VAL A 99 11.973 -11.595 11.202 1.00 0.00 C ATOM 457 C VAL A 99 12.635 -11.205 9.889 1.00 0.00 C ATOM 458 O VAL A 99 11.979 -11.128 8.848 1.00 0.00 O ATOM 459 CB VAL A 99 11.835 -13.122 11.268 1.00 0.00 C ATOM 460 CG1 VAL A 99 13.138 -13.745 11.789 1.00 0.00 C ATOM 461 CG2 VAL A 99 10.673 -13.494 12.201 1.00 0.00 C ATOM 0 H VAL A 99 9.877 -11.603 11.164 1.00 0.00 H new ATOM 0 HA VAL A 99 12.590 -11.251 12.032 1.00 0.00 H new ATOM 0 HB VAL A 99 11.634 -13.506 10.268 1.00 0.00 H new ATOM 0 HG11 VAL A 99 13.031 -14.829 11.833 1.00 0.00 H new ATOM 0 HG12 VAL A 99 13.958 -13.488 11.118 1.00 0.00 H new ATOM 0 HG13 VAL A 99 13.351 -13.361 12.787 1.00 0.00 H new ATOM 0 HG21 VAL A 99 10.576 -14.579 12.247 1.00 0.00 H new ATOM 0 HG22 VAL A 99 10.869 -13.105 13.200 1.00 0.00 H new ATOM 0 HG23 VAL A 99 9.748 -13.063 11.819 1.00 0.00 H new ATOM 471 N ASN A 100 13.934 -10.969 9.942 1.00 0.00 N ATOM 472 CA ASN A 100 14.673 -10.599 8.746 1.00 0.00 C ATOM 473 C ASN A 100 14.942 -11.830 7.883 1.00 0.00 C ATOM 474 O ASN A 100 15.485 -12.826 8.358 1.00 0.00 O ATOM 475 CB ASN A 100 16.002 -9.949 9.135 1.00 0.00 C ATOM 476 CG ASN A 100 15.751 -8.586 9.774 1.00 0.00 C ATOM 477 OD1 ASN A 100 14.689 -7.994 9.581 1.00 0.00 O ATOM 478 ND2 ASN A 100 16.673 -8.051 10.528 1.00 0.00 N ATOM 0 H ASN A 100 14.496 -11.026 10.792 1.00 0.00 H new ATOM 0 HA ASN A 100 14.074 -9.890 8.175 1.00 0.00 H new ATOM 0 HB2 ASN A 100 16.541 -10.592 9.831 1.00 0.00 H new ATOM 0 HB3 ASN A 100 16.632 -9.835 8.253 1.00 0.00 H new ATOM 0 HD21 ASN A 100 16.514 -7.140 10.959 1.00 0.00 H new ATOM 0 HD22 ASN A 100 17.552 -8.544 10.686 1.00 0.00 H new ATOM 485 N SER A 101 14.567 -11.740 6.613 1.00 0.00 N ATOM 486 CA SER A 101 14.777 -12.838 5.671 1.00 0.00 C ATOM 487 C SER A 101 16.249 -13.247 5.653 1.00 0.00 C ATOM 488 O SER A 101 16.595 -14.348 5.225 1.00 0.00 O ATOM 489 CB SER A 101 14.348 -12.418 4.264 1.00 0.00 C ATOM 490 OG SER A 101 14.479 -13.529 3.383 1.00 0.00 O ATOM 0 H SER A 101 14.116 -10.919 6.209 1.00 0.00 H new ATOM 0 HA SER A 101 14.173 -13.687 5.993 1.00 0.00 H new ATOM 0 HB2 SER A 101 13.316 -12.067 4.275 1.00 0.00 H new ATOM 0 HB3 SER A 101 14.963 -11.588 3.916 1.00 0.00 H new ATOM 0 HG SER A 101 15.118 -13.310 2.673 1.00 0.00 H new ATOM 496 N GLN A 102 17.107 -12.347 6.119 1.00 0.00 N ATOM 497 CA GLN A 102 18.541 -12.614 6.156 1.00 0.00 C ATOM 498 C GLN A 102 18.832 -13.817 7.048 1.00 0.00 C ATOM 499 O GLN A 102 19.733 -14.607 6.766 1.00 0.00 O ATOM 500 CB GLN A 102 19.290 -11.389 6.686 1.00 0.00 C ATOM 501 CG GLN A 102 19.249 -10.273 5.639 1.00 0.00 C ATOM 502 CD GLN A 102 19.852 -8.995 6.213 1.00 0.00 C ATOM 503 OE1 GLN A 102 20.185 -8.952 7.474 1.00 0.00 O flip ATOM 504 NE2 GLN A 102 20.023 -8.011 5.495 1.00 0.00 N flip ATOM 0 H GLN A 102 16.837 -11.430 6.475 1.00 0.00 H new ATOM 0 HA GLN A 102 18.880 -12.832 5.143 1.00 0.00 H new ATOM 0 HB2 GLN A 102 18.836 -11.046 7.616 1.00 0.00 H new ATOM 0 HB3 GLN A 102 20.323 -11.651 6.913 1.00 0.00 H new ATOM 0 HG2 GLN A 102 19.801 -10.577 4.750 1.00 0.00 H new ATOM 0 HG3 GLN A 102 18.220 -10.092 5.329 1.00 0.00 H new ATOM 0 HE21 GLN A 102 19.762 -8.047 4.510 1.00 0.00 H new ATOM 0 HE22 GLN A 102 20.426 -7.159 5.885 1.00 0.00 H new ATOM 513 N GLU A 103 18.070 -13.948 8.128 1.00 0.00 N ATOM 514 CA GLU A 103 18.265 -15.057 9.052 1.00 0.00 C ATOM 515 C GLU A 103 18.028 -16.388 8.341 1.00 0.00 C ATOM 516 O GLU A 103 18.762 -17.353 8.553 1.00 0.00 O ATOM 517 CB GLU A 103 17.291 -14.927 10.227 1.00 0.00 C ATOM 518 CG GLU A 103 17.655 -13.700 11.065 1.00 0.00 C ATOM 519 CD GLU A 103 18.997 -13.914 11.756 1.00 0.00 C ATOM 520 OE1 GLU A 103 19.361 -15.061 11.958 1.00 0.00 O ATOM 521 OE2 GLU A 103 19.645 -12.928 12.069 1.00 0.00 O ATOM 0 H GLU A 103 17.319 -13.307 8.383 1.00 0.00 H new ATOM 0 HA GLU A 103 19.290 -15.029 9.421 1.00 0.00 H new ATOM 0 HB2 GLU A 103 16.270 -14.837 9.857 1.00 0.00 H new ATOM 0 HB3 GLU A 103 17.328 -15.825 10.844 1.00 0.00 H new ATOM 0 HG2 GLU A 103 17.702 -12.817 10.428 1.00 0.00 H new ATOM 0 HG3 GLU A 103 16.880 -13.516 11.809 1.00 0.00 H new ATOM 528 N GLU A 104 17.011 -16.427 7.484 1.00 0.00 N ATOM 529 CA GLU A 104 16.710 -17.644 6.740 1.00 0.00 C ATOM 530 C GLU A 104 17.852 -17.990 5.791 1.00 0.00 C ATOM 531 O GLU A 104 18.221 -19.157 5.644 1.00 0.00 O ATOM 532 CB GLU A 104 15.418 -17.459 5.940 1.00 0.00 C ATOM 533 CG GLU A 104 14.226 -17.424 6.899 1.00 0.00 C ATOM 534 CD GLU A 104 12.956 -17.051 6.140 1.00 0.00 C ATOM 535 OE1 GLU A 104 13.072 -16.642 4.997 1.00 0.00 O ATOM 536 OE2 GLU A 104 11.887 -17.177 6.715 1.00 0.00 O ATOM 0 H GLU A 104 16.390 -15.641 7.290 1.00 0.00 H new ATOM 0 HA GLU A 104 16.585 -18.461 7.451 1.00 0.00 H new ATOM 0 HB2 GLU A 104 15.463 -16.534 5.365 1.00 0.00 H new ATOM 0 HB3 GLU A 104 15.300 -18.274 5.225 1.00 0.00 H new ATOM 0 HG2 GLU A 104 14.103 -18.397 7.375 1.00 0.00 H new ATOM 0 HG3 GLU A 104 14.410 -16.702 7.694 1.00 0.00 H new ATOM 543 N GLU A 105 18.411 -16.970 5.150 1.00 0.00 N ATOM 544 CA GLU A 105 19.513 -17.178 4.218 1.00 0.00 C ATOM 545 C GLU A 105 20.731 -17.725 4.956 1.00 0.00 C ATOM 546 O GLU A 105 21.425 -18.612 4.460 1.00 0.00 O ATOM 547 CB GLU A 105 19.871 -15.862 3.524 1.00 0.00 C ATOM 548 CG GLU A 105 20.935 -16.120 2.455 1.00 0.00 C ATOM 549 CD GLU A 105 21.247 -14.828 1.706 1.00 0.00 C ATOM 550 OE1 GLU A 105 20.687 -13.807 2.068 1.00 0.00 O ATOM 551 OE2 GLU A 105 22.037 -14.880 0.777 1.00 0.00 O ATOM 0 H GLU A 105 18.122 -15.998 5.257 1.00 0.00 H new ATOM 0 HA GLU A 105 19.202 -17.902 3.465 1.00 0.00 H new ATOM 0 HB2 GLU A 105 18.982 -15.425 3.069 1.00 0.00 H new ATOM 0 HB3 GLU A 105 20.241 -15.143 4.254 1.00 0.00 H new ATOM 0 HG2 GLU A 105 21.841 -16.509 2.919 1.00 0.00 H new ATOM 0 HG3 GLU A 105 20.584 -16.879 1.756 1.00 0.00 H new ATOM 558 N GLU A 106 20.983 -17.187 6.145 1.00 0.00 N ATOM 559 CA GLU A 106 22.117 -17.628 6.947 1.00 0.00 C ATOM 560 C GLU A 106 21.955 -19.095 7.332 1.00 0.00 C ATOM 561 O GLU A 106 22.917 -19.862 7.308 1.00 0.00 O ATOM 562 CB GLU A 106 22.235 -16.770 8.209 1.00 0.00 C ATOM 563 CG GLU A 106 23.476 -17.188 9.003 1.00 0.00 C ATOM 564 CD GLU A 106 23.667 -16.262 10.199 1.00 0.00 C ATOM 565 OE1 GLU A 106 22.852 -15.373 10.372 1.00 0.00 O ATOM 566 OE2 GLU A 106 24.632 -16.452 10.922 1.00 0.00 O ATOM 0 H GLU A 106 20.421 -16.450 6.572 1.00 0.00 H new ATOM 0 HA GLU A 106 23.025 -17.517 6.355 1.00 0.00 H new ATOM 0 HB2 GLU A 106 22.302 -15.716 7.939 1.00 0.00 H new ATOM 0 HB3 GLU A 106 21.342 -16.885 8.824 1.00 0.00 H new ATOM 0 HG2 GLU A 106 23.370 -18.218 9.344 1.00 0.00 H new ATOM 0 HG3 GLU A 106 24.357 -17.153 8.362 1.00 0.00 H new ATOM 573 N GLU A 107 20.735 -19.476 7.691 1.00 0.00 N ATOM 574 CA GLU A 107 20.464 -20.854 8.081 1.00 0.00 C ATOM 575 C GLU A 107 20.773 -21.802 6.927 1.00 0.00 C ATOM 576 O GLU A 107 21.380 -22.854 7.123 1.00 0.00 O ATOM 577 CB GLU A 107 18.993 -21.003 8.486 1.00 0.00 C ATOM 578 CG GLU A 107 18.736 -22.426 8.990 1.00 0.00 C ATOM 579 CD GLU A 107 17.286 -22.565 9.439 1.00 0.00 C ATOM 580 OE1 GLU A 107 16.544 -21.608 9.291 1.00 0.00 O ATOM 581 OE2 GLU A 107 16.937 -23.627 9.930 1.00 0.00 O ATOM 0 H GLU A 107 19.925 -18.857 7.720 1.00 0.00 H new ATOM 0 HA GLU A 107 21.101 -21.107 8.929 1.00 0.00 H new ATOM 0 HB2 GLU A 107 18.746 -20.281 9.265 1.00 0.00 H new ATOM 0 HB3 GLU A 107 18.348 -20.787 7.634 1.00 0.00 H new ATOM 0 HG2 GLU A 107 18.951 -23.145 8.200 1.00 0.00 H new ATOM 0 HG3 GLU A 107 19.406 -22.654 9.819 1.00 0.00 H new ATOM 588 N GLU A 108 20.355 -21.421 5.724 1.00 0.00 N ATOM 589 CA GLU A 108 20.595 -22.250 4.548 1.00 0.00 C ATOM 590 C GLU A 108 22.092 -22.378 4.281 1.00 0.00 C ATOM 591 O GLU A 108 22.588 -23.461 3.965 1.00 0.00 O ATOM 592 CB GLU A 108 19.909 -21.632 3.327 1.00 0.00 C ATOM 593 CG GLU A 108 18.392 -21.758 3.475 1.00 0.00 C ATOM 594 CD GLU A 108 17.694 -21.027 2.332 1.00 0.00 C ATOM 595 OE1 GLU A 108 18.366 -20.297 1.622 1.00 0.00 O ATOM 596 OE2 GLU A 108 16.497 -21.213 2.181 1.00 0.00 O ATOM 0 H GLU A 108 19.853 -20.552 5.538 1.00 0.00 H new ATOM 0 HA GLU A 108 20.184 -23.242 4.734 1.00 0.00 H new ATOM 0 HB2 GLU A 108 20.190 -20.583 3.231 1.00 0.00 H new ATOM 0 HB3 GLU A 108 20.239 -22.135 2.418 1.00 0.00 H new ATOM 0 HG2 GLU A 108 18.104 -22.809 3.475 1.00 0.00 H new ATOM 0 HG3 GLU A 108 18.076 -21.341 4.431 1.00 0.00 H new ATOM 603 N LEU A 109 22.806 -21.267 4.418 1.00 0.00 N ATOM 604 CA LEU A 109 24.247 -21.262 4.195 1.00 0.00 C ATOM 605 C LEU A 109 24.946 -22.111 5.244 1.00 0.00 C ATOM 606 O LEU A 109 25.907 -22.821 4.948 1.00 0.00 O ATOM 607 CB LEU A 109 24.779 -19.830 4.250 1.00 0.00 C ATOM 608 CG LEU A 109 24.265 -19.041 3.036 1.00 0.00 C ATOM 609 CD1 LEU A 109 24.599 -17.558 3.220 1.00 0.00 C ATOM 610 CD2 LEU A 109 24.908 -19.564 1.732 1.00 0.00 C ATOM 0 H LEU A 109 22.414 -20.363 4.681 1.00 0.00 H new ATOM 0 HA LEU A 109 24.449 -21.682 3.210 1.00 0.00 H new ATOM 0 HB2 LEU A 109 24.457 -19.347 5.173 1.00 0.00 H new ATOM 0 HB3 LEU A 109 25.869 -19.836 4.257 1.00 0.00 H new ATOM 0 HG LEU A 109 23.185 -19.171 2.962 1.00 0.00 H new ATOM 0 HD11 LEU A 109 24.236 -16.994 2.361 1.00 0.00 H new ATOM 0 HD12 LEU A 109 24.120 -17.187 4.126 1.00 0.00 H new ATOM 0 HD13 LEU A 109 25.679 -17.436 3.304 1.00 0.00 H new ATOM 0 HD21 LEU A 109 24.530 -18.991 0.885 1.00 0.00 H new ATOM 0 HD22 LEU A 109 25.991 -19.454 1.791 1.00 0.00 H new ATOM 0 HD23 LEU A 109 24.657 -20.616 1.599 1.00 0.00 H new ATOM 622 N LEU A 110 24.458 -22.037 6.475 1.00 0.00 N ATOM 623 CA LEU A 110 25.051 -22.807 7.557 1.00 0.00 C ATOM 624 C LEU A 110 24.945 -24.295 7.266 1.00 0.00 C ATOM 625 O LEU A 110 25.903 -25.043 7.456 1.00 0.00 O ATOM 626 CB LEU A 110 24.344 -22.488 8.880 1.00 0.00 C ATOM 627 CG LEU A 110 24.931 -23.340 10.018 1.00 0.00 C ATOM 628 CD1 LEU A 110 26.433 -23.058 10.170 1.00 0.00 C ATOM 629 CD2 LEU A 110 24.208 -22.994 11.327 1.00 0.00 C ATOM 0 H LEU A 110 23.663 -21.459 6.746 1.00 0.00 H new ATOM 0 HA LEU A 110 26.104 -22.536 7.639 1.00 0.00 H new ATOM 0 HB2 LEU A 110 24.456 -21.429 9.114 1.00 0.00 H new ATOM 0 HB3 LEU A 110 23.276 -22.682 8.785 1.00 0.00 H new ATOM 0 HG LEU A 110 24.794 -24.396 9.786 1.00 0.00 H new ATOM 0 HD11 LEU A 110 26.838 -23.667 10.979 1.00 0.00 H new ATOM 0 HD12 LEU A 110 26.945 -23.303 9.240 1.00 0.00 H new ATOM 0 HD13 LEU A 110 26.584 -22.003 10.400 1.00 0.00 H new ATOM 0 HD21 LEU A 110 24.619 -23.594 12.139 1.00 0.00 H new ATOM 0 HD22 LEU A 110 24.347 -21.936 11.551 1.00 0.00 H new ATOM 0 HD23 LEU A 110 23.144 -23.205 11.222 1.00 0.00 H new ATOM 641 N ARG A 111 23.776 -24.720 6.815 1.00 0.00 N ATOM 642 CA ARG A 111 23.563 -26.126 6.518 1.00 0.00 C ATOM 643 C ARG A 111 24.528 -26.601 5.442 1.00 0.00 C ATOM 644 O ARG A 111 25.107 -27.682 5.549 1.00 0.00 O ATOM 645 CB ARG A 111 22.116 -26.349 6.062 1.00 0.00 C ATOM 646 CG ARG A 111 21.865 -27.848 5.766 1.00 0.00 C ATOM 647 CD ARG A 111 21.919 -28.111 4.256 1.00 0.00 C ATOM 648 NE ARG A 111 21.661 -29.517 3.983 1.00 0.00 N ATOM 649 CZ ARG A 111 21.843 -30.016 2.769 1.00 0.00 C ATOM 650 NH1 ARG A 111 22.264 -29.242 1.806 1.00 0.00 N ATOM 651 NH2 ARG A 111 21.604 -31.275 2.541 1.00 0.00 N ATOM 0 H ARG A 111 22.969 -24.119 6.648 1.00 0.00 H new ATOM 0 HA ARG A 111 23.747 -26.704 7.424 1.00 0.00 H new ATOM 0 HB2 ARG A 111 21.428 -26.005 6.834 1.00 0.00 H new ATOM 0 HB3 ARG A 111 21.915 -25.757 5.169 1.00 0.00 H new ATOM 0 HG2 ARG A 111 22.613 -28.456 6.274 1.00 0.00 H new ATOM 0 HG3 ARG A 111 20.893 -28.145 6.159 1.00 0.00 H new ATOM 0 HD2 ARG A 111 21.182 -27.492 3.745 1.00 0.00 H new ATOM 0 HD3 ARG A 111 22.897 -27.830 3.865 1.00 0.00 H new ATOM 0 HE ARG A 111 21.336 -30.125 4.735 1.00 0.00 H new ATOM 0 HH11 ARG A 111 22.452 -28.256 1.989 1.00 0.00 H new ATOM 0 HH12 ARG A 111 22.405 -29.623 0.870 1.00 0.00 H new ATOM 0 HH21 ARG A 111 21.277 -31.877 3.297 1.00 0.00 H new ATOM 0 HH22 ARG A 111 21.744 -31.660 1.607 1.00 0.00 H new ATOM 665 N LYS A 112 24.694 -25.791 4.404 1.00 0.00 N ATOM 666 CA LYS A 112 25.589 -26.144 3.313 1.00 0.00 C ATOM 667 C LYS A 112 27.023 -26.265 3.822 1.00 0.00 C ATOM 668 O LYS A 112 27.759 -27.169 3.427 1.00 0.00 O ATOM 669 CB LYS A 112 25.517 -25.075 2.221 1.00 0.00 C ATOM 670 CG LYS A 112 24.154 -25.142 1.527 1.00 0.00 C ATOM 671 CD LYS A 112 24.058 -24.030 0.480 1.00 0.00 C ATOM 672 CE LYS A 112 22.693 -24.092 -0.208 1.00 0.00 C ATOM 673 NZ LYS A 112 22.590 -25.355 -0.992 1.00 0.00 N ATOM 0 H LYS A 112 24.224 -24.892 4.296 1.00 0.00 H new ATOM 0 HA LYS A 112 25.280 -27.105 2.901 1.00 0.00 H new ATOM 0 HB2 LYS A 112 25.667 -24.087 2.655 1.00 0.00 H new ATOM 0 HB3 LYS A 112 26.315 -25.229 1.494 1.00 0.00 H new ATOM 0 HG2 LYS A 112 24.023 -26.115 1.053 1.00 0.00 H new ATOM 0 HG3 LYS A 112 23.355 -25.035 2.261 1.00 0.00 H new ATOM 0 HD2 LYS A 112 24.194 -23.058 0.953 1.00 0.00 H new ATOM 0 HD3 LYS A 112 24.854 -24.140 -0.257 1.00 0.00 H new ATOM 0 HE2 LYS A 112 21.897 -24.046 0.535 1.00 0.00 H new ATOM 0 HE3 LYS A 112 22.565 -23.232 -0.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 21.833 -25.264 -1.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 23.493 -25.540 -1.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 22.371 -26.144 -0.351 1.00 0.00 H new ATOM 687 N ALA A 113 27.411 -25.349 4.704 1.00 0.00 N ATOM 688 CA ALA A 113 28.757 -25.363 5.265 1.00 0.00 C ATOM 689 C ALA A 113 29.005 -26.639 6.061 1.00 0.00 C ATOM 690 O ALA A 113 30.084 -27.226 5.993 1.00 0.00 O ATOM 691 CB ALA A 113 28.953 -24.150 6.175 1.00 0.00 C ATOM 0 H ALA A 113 26.817 -24.593 5.044 1.00 0.00 H new ATOM 0 HA ALA A 113 29.469 -25.324 4.440 1.00 0.00 H new ATOM 0 HB1 ALA A 113 29.960 -24.166 6.591 1.00 0.00 H new ATOM 0 HB2 ALA A 113 28.813 -23.236 5.598 1.00 0.00 H new ATOM 0 HB3 ALA A 113 28.225 -24.182 6.986 1.00 0.00 H new ATOM 697 N ILE A 114 28.001 -27.059 6.826 1.00 0.00 N ATOM 698 CA ILE A 114 28.128 -28.264 7.640 1.00 0.00 C ATOM 699 C ILE A 114 28.339 -29.491 6.758 1.00 0.00 C ATOM 700 O ILE A 114 29.178 -30.342 7.056 1.00 0.00 O ATOM 701 CB ILE A 114 26.871 -28.452 8.497 1.00 0.00 C ATOM 702 CG1 ILE A 114 26.800 -27.340 9.547 1.00 0.00 C ATOM 703 CG2 ILE A 114 26.927 -29.811 9.205 1.00 0.00 C ATOM 704 CD1 ILE A 114 25.423 -27.351 10.213 1.00 0.00 C ATOM 0 H ILE A 114 27.099 -26.588 6.899 1.00 0.00 H new ATOM 0 HA ILE A 114 28.995 -28.150 8.290 1.00 0.00 H new ATOM 0 HB ILE A 114 25.990 -28.411 7.857 1.00 0.00 H new ATOM 0 HG12 ILE A 114 27.579 -27.483 10.296 1.00 0.00 H new ATOM 0 HG13 ILE A 114 26.981 -26.372 9.079 1.00 0.00 H new ATOM 0 HG21 ILE A 114 26.032 -29.941 9.813 1.00 0.00 H new ATOM 0 HG22 ILE A 114 26.980 -30.607 8.462 1.00 0.00 H new ATOM 0 HG23 ILE A 114 27.809 -29.852 9.844 1.00 0.00 H new ATOM 0 HD11 ILE A 114 25.374 -26.559 10.960 1.00 0.00 H new ATOM 0 HD12 ILE A 114 24.653 -27.187 9.459 1.00 0.00 H new ATOM 0 HD13 ILE A 114 25.260 -28.315 10.695 1.00 0.00 H new ATOM 716 N ALA A 115 27.573 -29.581 5.676 1.00 0.00 N ATOM 717 CA ALA A 115 27.690 -30.718 4.770 1.00 0.00 C ATOM 718 C ALA A 115 29.097 -30.783 4.190 1.00 0.00 C ATOM 719 O ALA A 115 29.679 -31.862 4.057 1.00 0.00 O ATOM 720 CB ALA A 115 26.672 -30.588 3.637 1.00 0.00 C ATOM 0 H ALA A 115 26.873 -28.890 5.407 1.00 0.00 H new ATOM 0 HA ALA A 115 27.492 -31.633 5.328 1.00 0.00 H new ATOM 0 HB1 ALA A 115 26.765 -31.441 2.964 1.00 0.00 H new ATOM 0 HB2 ALA A 115 25.665 -30.563 4.054 1.00 0.00 H new ATOM 0 HB3 ALA A 115 26.859 -29.667 3.084 1.00 0.00 H new ATOM 726 N GLU A 116 29.646 -29.621 3.859 1.00 0.00 N ATOM 727 CA GLU A 116 30.994 -29.550 3.312 1.00 0.00 C ATOM 728 C GLU A 116 32.012 -30.017 4.345 1.00 0.00 C ATOM 729 O GLU A 116 32.996 -30.677 4.012 1.00 0.00 O ATOM 730 CB GLU A 116 31.309 -28.113 2.892 1.00 0.00 C ATOM 731 CG GLU A 116 30.425 -27.725 1.705 1.00 0.00 C ATOM 732 CD GLU A 116 30.844 -28.504 0.462 1.00 0.00 C ATOM 733 OE1 GLU A 116 31.975 -28.961 0.427 1.00 0.00 O ATOM 734 OE2 GLU A 116 30.028 -28.631 -0.435 1.00 0.00 O ATOM 0 H GLU A 116 29.181 -28.719 3.959 1.00 0.00 H new ATOM 0 HA GLU A 116 31.052 -30.203 2.441 1.00 0.00 H new ATOM 0 HB2 GLU A 116 31.136 -27.433 3.726 1.00 0.00 H new ATOM 0 HB3 GLU A 116 32.361 -28.024 2.621 1.00 0.00 H new ATOM 0 HG2 GLU A 116 29.380 -27.931 1.937 1.00 0.00 H new ATOM 0 HG3 GLU A 116 30.505 -26.654 1.517 1.00 0.00 H new ATOM 741 N SER A 117 31.772 -29.662 5.603 1.00 0.00 N ATOM 742 CA SER A 117 32.677 -30.043 6.682 1.00 0.00 C ATOM 743 C SER A 117 32.775 -31.561 6.797 1.00 0.00 C ATOM 744 O SER A 117 33.861 -32.106 6.991 1.00 0.00 O ATOM 745 CB SER A 117 32.176 -29.466 8.007 1.00 0.00 C ATOM 746 OG SER A 117 33.054 -29.855 9.054 1.00 0.00 O ATOM 0 H SER A 117 30.964 -29.115 5.900 1.00 0.00 H new ATOM 0 HA SER A 117 33.666 -29.644 6.456 1.00 0.00 H new ATOM 0 HB2 SER A 117 32.124 -28.379 7.946 1.00 0.00 H new ATOM 0 HB3 SER A 117 31.167 -29.822 8.213 1.00 0.00 H new ATOM 0 HG SER A 117 32.735 -29.485 9.903 1.00 0.00 H new ATOM 752 N LEU A 118 31.639 -32.239 6.675 1.00 0.00 N ATOM 753 CA LEU A 118 31.626 -33.695 6.768 1.00 0.00 C ATOM 754 C LEU A 118 32.378 -34.306 5.589 1.00 0.00 C ATOM 755 O LEU A 118 33.072 -35.313 5.737 1.00 0.00 O ATOM 756 CB LEU A 118 30.169 -34.204 6.793 1.00 0.00 C ATOM 757 CG LEU A 118 29.647 -34.282 8.234 1.00 0.00 C ATOM 758 CD1 LEU A 118 29.478 -32.872 8.798 1.00 0.00 C ATOM 759 CD2 LEU A 118 28.295 -35.001 8.240 1.00 0.00 C ATOM 0 H LEU A 118 30.727 -31.812 6.514 1.00 0.00 H new ATOM 0 HA LEU A 118 32.123 -33.996 7.690 1.00 0.00 H new ATOM 0 HB2 LEU A 118 29.536 -33.538 6.207 1.00 0.00 H new ATOM 0 HB3 LEU A 118 30.114 -35.188 6.327 1.00 0.00 H new ATOM 0 HG LEU A 118 30.359 -34.831 8.851 1.00 0.00 H new ATOM 0 HD11 LEU A 118 29.107 -32.931 9.821 1.00 0.00 H new ATOM 0 HD12 LEU A 118 30.440 -32.359 8.790 1.00 0.00 H new ATOM 0 HD13 LEU A 118 28.766 -32.318 8.186 1.00 0.00 H new ATOM 0 HD21 LEU A 118 27.919 -35.060 9.261 1.00 0.00 H new ATOM 0 HD22 LEU A 118 27.586 -34.448 7.623 1.00 0.00 H new ATOM 0 HD23 LEU A 118 28.416 -36.008 7.840 1.00 0.00 H new ATOM 771 N ASN A 119 32.240 -33.694 4.421 1.00 0.00 N ATOM 772 CA ASN A 119 32.917 -34.192 3.232 1.00 0.00 C ATOM 773 C ASN A 119 34.398 -33.832 3.271 1.00 0.00 C ATOM 774 O ASN A 119 35.207 -34.406 2.542 1.00 0.00 O ATOM 775 CB ASN A 119 32.272 -33.598 1.981 1.00 0.00 C ATOM 776 CG ASN A 119 30.870 -34.169 1.799 1.00 0.00 C ATOM 777 OD1 ASN A 119 30.666 -35.375 1.943 1.00 0.00 O ATOM 778 ND2 ASN A 119 29.884 -33.369 1.498 1.00 0.00 N ATOM 0 H ASN A 119 31.672 -32.860 4.272 1.00 0.00 H new ATOM 0 HA ASN A 119 32.822 -35.278 3.206 1.00 0.00 H new ATOM 0 HB2 ASN A 119 32.224 -32.512 2.067 1.00 0.00 H new ATOM 0 HB3 ASN A 119 32.882 -33.822 1.106 1.00 0.00 H new ATOM 0 HD21 ASN A 119 28.942 -33.742 1.382 1.00 0.00 H new ATOM 0 HD22 ASN A 119 30.055 -32.371 1.379 1.00 0.00 H new ATOM 785 N SER A 120 34.746 -32.877 4.130 1.00 0.00 N ATOM 786 CA SER A 120 36.133 -32.440 4.265 1.00 0.00 C ATOM 787 C SER A 120 36.878 -33.321 5.262 1.00 0.00 C ATOM 788 O SER A 120 36.327 -33.714 6.290 1.00 0.00 O ATOM 789 CB SER A 120 36.179 -30.986 4.730 1.00 0.00 C ATOM 790 OG SER A 120 35.621 -30.152 3.720 1.00 0.00 O ATOM 0 H SER A 120 34.089 -32.392 4.741 1.00 0.00 H new ATOM 0 HA SER A 120 36.617 -32.524 3.292 1.00 0.00 H new ATOM 0 HB2 SER A 120 35.623 -30.872 5.660 1.00 0.00 H new ATOM 0 HB3 SER A 120 37.208 -30.690 4.935 1.00 0.00 H new ATOM 0 HG SER A 120 34.661 -30.332 3.640 1.00 0.00 H new ATOM 796 N CYS A 121 38.132 -33.630 4.950 1.00 0.00 N ATOM 797 CA CYS A 121 38.941 -34.469 5.825 1.00 0.00 C ATOM 798 C CYS A 121 39.435 -33.680 7.026 1.00 0.00 C ATOM 799 O CYS A 121 39.450 -32.452 7.010 1.00 0.00 O ATOM 800 CB CYS A 121 40.136 -35.031 5.057 1.00 0.00 C ATOM 801 SG CYS A 121 41.286 -33.691 4.662 1.00 0.00 S ATOM 0 H CYS A 121 38.607 -33.315 4.104 1.00 0.00 H new ATOM 0 HA CYS A 121 38.317 -35.290 6.178 1.00 0.00 H new ATOM 0 HB2 CYS A 121 40.639 -35.792 5.653 1.00 0.00 H new ATOM 0 HB3 CYS A 121 39.798 -35.516 4.141 1.00 0.00 H new ATOM 0 HG CYS A 121 42.304 -34.170 4.010 1.00 0.00 H new ATOM 807 N ARG A 122 39.837 -34.390 8.070 1.00 0.00 N ATOM 808 CA ARG A 122 40.323 -33.723 9.265 1.00 0.00 C ATOM 809 C ARG A 122 41.703 -33.086 9.019 1.00 0.00 C ATOM 810 O ARG A 122 42.593 -33.750 8.494 1.00 0.00 O ATOM 811 CB ARG A 122 40.411 -34.709 10.428 1.00 0.00 C ATOM 812 CG ARG A 122 39.002 -35.170 10.792 1.00 0.00 C ATOM 813 CD ARG A 122 39.077 -36.235 11.882 1.00 0.00 C ATOM 814 NE ARG A 122 39.658 -35.672 13.095 1.00 0.00 N ATOM 815 CZ ARG A 122 40.003 -36.451 14.114 1.00 0.00 C ATOM 816 NH1 ARG A 122 39.822 -37.742 14.036 1.00 0.00 N ATOM 817 NH2 ARG A 122 40.522 -35.929 15.190 1.00 0.00 N ATOM 0 H ARG A 122 39.836 -35.409 8.114 1.00 0.00 H new ATOM 0 HA ARG A 122 39.615 -32.933 9.518 1.00 0.00 H new ATOM 0 HB2 ARG A 122 41.028 -35.564 10.152 1.00 0.00 H new ATOM 0 HB3 ARG A 122 40.887 -34.237 11.287 1.00 0.00 H new ATOM 0 HG2 ARG A 122 38.409 -34.323 11.137 1.00 0.00 H new ATOM 0 HG3 ARG A 122 38.501 -35.572 9.911 1.00 0.00 H new ATOM 0 HD2 ARG A 122 38.080 -36.621 12.093 1.00 0.00 H new ATOM 0 HD3 ARG A 122 39.679 -37.076 11.538 1.00 0.00 H new ATOM 0 HE ARG A 122 39.802 -34.664 13.162 1.00 0.00 H new ATOM 0 HH11 ARG A 122 39.416 -38.150 13.194 1.00 0.00 H new ATOM 0 HH12 ARG A 122 40.086 -38.342 14.817 1.00 0.00 H new ATOM 0 HH21 ARG A 122 40.664 -34.921 15.250 1.00 0.00 H new ATOM 0 HH22 ARG A 122 40.786 -36.529 15.971 1.00 0.00 H new ATOM 831 N PRO A 123 41.913 -31.838 9.405 1.00 0.00 N ATOM 832 CA PRO A 123 43.237 -31.159 9.221 1.00 0.00 C ATOM 833 C PRO A 123 44.396 -31.962 9.825 1.00 0.00 C ATOM 834 O PRO A 123 44.220 -32.681 10.809 1.00 0.00 O ATOM 835 CB PRO A 123 43.071 -29.827 9.977 1.00 0.00 C ATOM 836 CG PRO A 123 41.603 -29.563 9.996 1.00 0.00 C ATOM 837 CD PRO A 123 40.922 -30.931 10.028 1.00 0.00 C ATOM 0 HA PRO A 123 43.483 -31.042 8.166 1.00 0.00 H new ATOM 0 HB2 PRO A 123 43.471 -29.897 10.989 1.00 0.00 H new ATOM 0 HB3 PRO A 123 43.609 -29.022 9.477 1.00 0.00 H new ATOM 0 HG2 PRO A 123 41.326 -28.970 10.868 1.00 0.00 H new ATOM 0 HG3 PRO A 123 41.298 -28.997 9.116 1.00 0.00 H new ATOM 0 HD2 PRO A 123 40.687 -31.236 11.048 1.00 0.00 H new ATOM 0 HD3 PRO A 123 39.984 -30.923 9.473 1.00 0.00 H new ATOM 845 N SER A 124 45.575 -31.836 9.221 1.00 0.00 N ATOM 846 CA SER A 124 46.751 -32.550 9.705 1.00 0.00 C ATOM 847 C SER A 124 47.203 -31.975 11.044 1.00 0.00 C ATOM 848 O SER A 124 46.863 -30.843 11.389 1.00 0.00 O ATOM 849 CB SER A 124 47.888 -32.429 8.690 1.00 0.00 C ATOM 850 OG SER A 124 48.366 -31.089 8.679 1.00 0.00 O ATOM 0 H SER A 124 45.740 -31.251 8.402 1.00 0.00 H new ATOM 0 HA SER A 124 46.492 -33.601 9.836 1.00 0.00 H new ATOM 0 HB2 SER A 124 48.696 -33.114 8.948 1.00 0.00 H new ATOM 0 HB3 SER A 124 47.537 -32.710 7.697 1.00 0.00 H new ATOM 0 HG SER A 124 49.096 -31.008 8.031 1.00 0.00 H new ATOM 856 N ASP A 125 47.968 -32.760 11.796 1.00 0.00 N ATOM 857 CA ASP A 125 48.454 -32.313 13.098 1.00 0.00 C ATOM 858 C ASP A 125 49.717 -31.474 12.931 1.00 0.00 C ATOM 859 O ASP A 125 50.715 -31.940 12.381 1.00 0.00 O ATOM 860 CB ASP A 125 48.757 -33.527 13.978 1.00 0.00 C ATOM 861 CG ASP A 125 47.458 -34.241 14.341 1.00 0.00 C ATOM 862 OD1 ASP A 125 46.416 -33.615 14.244 1.00 0.00 O ATOM 863 OD2 ASP A 125 47.525 -35.403 14.700 1.00 0.00 O ATOM 0 H ASP A 125 48.263 -33.700 11.530 1.00 0.00 H new ATOM 0 HA ASP A 125 47.685 -31.703 13.571 1.00 0.00 H new ATOM 0 HB2 ASP A 125 49.424 -34.211 13.453 1.00 0.00 H new ATOM 0 HB3 ASP A 125 49.274 -33.211 14.884 1.00 0.00 H new ATOM 868 N ALA A 126 49.666 -30.236 13.411 1.00 0.00 N ATOM 869 CA ALA A 126 50.813 -29.340 13.308 1.00 0.00 C ATOM 870 C ALA A 126 51.999 -29.895 14.090 1.00 0.00 C ATOM 871 O ALA A 126 53.149 -29.768 13.667 1.00 0.00 O ATOM 872 CB ALA A 126 50.447 -27.961 13.851 1.00 0.00 C ATOM 0 H ALA A 126 48.850 -29.832 13.872 1.00 0.00 H new ATOM 0 HA ALA A 126 51.091 -29.256 12.257 1.00 0.00 H new ATOM 0 HB1 ALA A 126 51.308 -27.298 13.771 1.00 0.00 H new ATOM 0 HB2 ALA A 126 49.618 -27.551 13.274 1.00 0.00 H new ATOM 0 HB3 ALA A 126 50.153 -28.048 14.897 1.00 0.00 H new ATOM 878 N SER A 127 51.710 -30.510 15.234 1.00 0.00 N ATOM 879 CA SER A 127 52.759 -31.084 16.074 1.00 0.00 C ATOM 880 C SER A 127 53.036 -32.527 15.674 1.00 0.00 C ATOM 881 O SER A 127 53.979 -33.147 16.165 1.00 0.00 O ATOM 882 CB SER A 127 52.335 -31.032 17.543 1.00 0.00 C ATOM 883 OG SER A 127 52.186 -29.674 17.939 1.00 0.00 O ATOM 0 H SER A 127 50.765 -30.624 15.599 1.00 0.00 H new ATOM 0 HA SER A 127 53.670 -30.501 15.937 1.00 0.00 H new ATOM 0 HB2 SER A 127 51.397 -31.569 17.682 1.00 0.00 H new ATOM 0 HB3 SER A 127 53.080 -31.526 18.167 1.00 0.00 H new ATOM 0 HG SER A 127 51.913 -29.636 18.879 1.00 0.00 H new ATOM 889 N ALA A 128 52.204 -33.057 14.782 1.00 0.00 N ATOM 890 CA ALA A 128 52.361 -34.431 14.316 1.00 0.00 C ATOM 891 C ALA A 128 51.839 -35.409 15.364 1.00 0.00 C ATOM 892 O ALA A 128 51.788 -36.617 15.129 1.00 0.00 O ATOM 893 CB ALA A 128 53.842 -34.722 14.011 1.00 0.00 C ATOM 0 H ALA A 128 51.417 -32.558 14.369 1.00 0.00 H new ATOM 0 HA ALA A 128 51.782 -34.557 13.401 1.00 0.00 H new ATOM 0 HB1 ALA A 128 53.947 -35.750 13.664 1.00 0.00 H new ATOM 0 HB2 ALA A 128 54.195 -34.040 13.237 1.00 0.00 H new ATOM 0 HB3 ALA A 128 54.434 -34.582 14.915 1.00 0.00 H new ATOM 899 N THR A 129 51.455 -34.880 16.522 1.00 0.00 N ATOM 900 CA THR A 129 50.939 -35.717 17.597 1.00 0.00 C ATOM 901 C THR A 129 49.461 -36.016 17.369 1.00 0.00 C ATOM 902 O THR A 129 48.760 -35.258 16.701 1.00 0.00 O ATOM 903 CB THR A 129 51.126 -35.010 18.941 1.00 0.00 C ATOM 904 OG1 THR A 129 50.328 -33.835 18.971 1.00 0.00 O ATOM 905 CG2 THR A 129 52.598 -34.631 19.117 1.00 0.00 C ATOM 0 H THR A 129 51.491 -33.884 16.738 1.00 0.00 H new ATOM 0 HA THR A 129 51.490 -36.657 17.607 1.00 0.00 H new ATOM 0 HB THR A 129 50.823 -35.677 19.749 1.00 0.00 H new ATOM 0 HG1 THR A 129 50.445 -33.382 19.832 1.00 0.00 H new ATOM 0 HG21 THR A 129 52.732 -34.127 20.074 1.00 0.00 H new ATOM 0 HG22 THR A 129 53.211 -35.532 19.092 1.00 0.00 H new ATOM 0 HG23 THR A 129 52.901 -33.964 18.310 1.00 0.00 H new ATOM 913 N ARG A 130 48.997 -37.124 17.932 1.00 0.00 N ATOM 914 CA ARG A 130 47.601 -37.522 17.793 1.00 0.00 C ATOM 915 C ARG A 130 46.737 -36.800 18.818 1.00 0.00 C ATOM 916 O ARG A 130 47.197 -36.475 19.911 1.00 0.00 O ATOM 917 CB ARG A 130 47.460 -39.036 17.989 1.00 0.00 C ATOM 918 CG ARG A 130 48.209 -39.487 19.266 1.00 0.00 C ATOM 919 CD ARG A 130 49.586 -40.062 18.909 1.00 0.00 C ATOM 920 NE ARG A 130 50.290 -40.463 20.123 1.00 0.00 N ATOM 921 CZ ARG A 130 50.990 -39.587 20.834 1.00 0.00 C ATOM 922 NH1 ARG A 130 51.047 -38.337 20.460 1.00 0.00 N ATOM 923 NH2 ARG A 130 51.615 -39.977 21.909 1.00 0.00 N ATOM 0 H ARG A 130 49.565 -37.763 18.488 1.00 0.00 H new ATOM 0 HA ARG A 130 47.268 -37.253 16.791 1.00 0.00 H new ATOM 0 HB2 ARG A 130 46.406 -39.303 18.065 1.00 0.00 H new ATOM 0 HB3 ARG A 130 47.860 -39.560 17.121 1.00 0.00 H new ATOM 0 HG2 ARG A 130 48.327 -38.641 19.943 1.00 0.00 H new ATOM 0 HG3 ARG A 130 47.621 -40.238 19.793 1.00 0.00 H new ATOM 0 HD2 ARG A 130 49.470 -40.919 18.246 1.00 0.00 H new ATOM 0 HD3 ARG A 130 50.171 -39.318 18.369 1.00 0.00 H new ATOM 0 HE ARG A 130 50.243 -41.434 20.431 1.00 0.00 H new ATOM 0 HH11 ARG A 130 50.553 -38.033 19.621 1.00 0.00 H new ATOM 0 HH12 ARG A 130 51.585 -37.665 21.007 1.00 0.00 H new ATOM 0 HH21 ARG A 130 51.566 -40.953 22.202 1.00 0.00 H new ATOM 0 HH22 ARG A 130 52.154 -39.306 22.457 1.00 0.00 H new ATOM 937 N SER A 131 45.480 -36.564 18.462 1.00 0.00 N ATOM 938 CA SER A 131 44.558 -35.888 19.366 1.00 0.00 C ATOM 939 C SER A 131 43.123 -36.033 18.871 1.00 0.00 C ATOM 940 O SER A 131 42.887 -36.899 18.044 1.00 0.00 O ATOM 941 CB SER A 131 44.920 -34.408 19.467 1.00 0.00 C ATOM 942 OG SER A 131 46.291 -34.284 19.822 1.00 0.00 O ATOM 943 OXT SER A 131 42.281 -35.277 19.326 1.00 0.00 O ATOM 0 H SER A 131 45.079 -36.828 17.562 1.00 0.00 H new ATOM 0 HA SER A 131 44.638 -36.348 20.351 1.00 0.00 H new ATOM 0 HB2 SER A 131 44.732 -33.910 18.516 1.00 0.00 H new ATOM 0 HB3 SER A 131 44.293 -33.918 20.213 1.00 0.00 H new ATOM 0 HG SER A 131 46.560 -35.056 20.362 1.00 0.00 H new TER 949 SER A 131