USER MOD reduce.3.24.130724 H: found=0, std=0, add=469, rem=0, adj=14 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 Set 1.1: A 127 SER OG : rot -22:sc= 1.64 USER MOD Set 1.2: A 129 THR OG1 : rot 91:sc= 1.22 USER MOD Set 2.1: A 80 THR OG1 : rot -140:sc= -0.443 USER MOD Set 2.2: A 84 GLN : amide:sc= 0.255 K(o=-0.19,f=-8.1!) USER MOD Single : A 0 SER OG : rot 180:sc= 0 USER MOD Single : A -4 GLY N :NH3+ -115:sc= 0.119 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 79 MET CE :methyl -157:sc= -0.0978 (180deg=-0.848) USER MOD Single : A 90 LYS NZ :NH3+ -161:sc= -0.0351 (180deg=-0.441) USER MOD Single : A 91 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot -42:sc= 0.523 USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 100 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 SER OG : rot 180:sc=-0.00448 USER MOD Single : A 102 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 SER OG : rot 79:sc= 0.32 USER MOD Single : A 119 ASN : amide:sc= -0.759 K(o=-0.76,f=-1.3!) USER MOD Single : A 120 SER OG : rot 48:sc= 1.23 USER MOD Single : A 121 CYS SG : rot 180:sc= 0 USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 131 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -4 0.475 -39.715 -2.632 1.00 0.00 N ATOM 2 CA GLY A -4 1.466 -39.417 -3.703 1.00 0.00 C ATOM 3 C GLY A -4 2.792 -39.007 -3.070 1.00 0.00 C ATOM 4 O GLY A -4 2.861 -38.736 -1.872 1.00 0.00 O ATOM 0 H1 GLY A -4 0.220 -40.723 -2.666 1.00 0.00 H new ATOM 0 H2 GLY A -4 0.889 -39.493 -1.704 1.00 0.00 H new ATOM 0 H3 GLY A -4 -0.377 -39.137 -2.777 1.00 0.00 H new ATOM 0 HA2 GLY A -4 1.608 -40.293 -4.335 1.00 0.00 H new ATOM 0 HA3 GLY A -4 1.095 -38.618 -4.345 1.00 0.00 H new ATOM 10 N PRO A -3 3.837 -38.958 -3.853 1.00 0.00 N ATOM 11 CA PRO A -3 5.193 -38.570 -3.363 1.00 0.00 C ATOM 12 C PRO A -3 5.259 -37.089 -2.993 1.00 0.00 C ATOM 13 O PRO A -3 4.553 -36.264 -3.571 1.00 0.00 O ATOM 14 CB PRO A -3 6.112 -38.893 -4.555 1.00 0.00 C ATOM 15 CG PRO A -3 5.223 -38.810 -5.758 1.00 0.00 C ATOM 16 CD PRO A -3 3.840 -39.267 -5.294 1.00 0.00 C ATOM 0 HA PRO A -3 5.477 -39.099 -2.453 1.00 0.00 H new ATOM 0 HB2 PRO A -3 6.936 -38.183 -4.623 1.00 0.00 H new ATOM 0 HB3 PRO A -3 6.553 -39.885 -4.457 1.00 0.00 H new ATOM 0 HG2 PRO A -3 5.187 -37.792 -6.147 1.00 0.00 H new ATOM 0 HG3 PRO A -3 5.594 -39.446 -6.562 1.00 0.00 H new ATOM 0 HD2 PRO A -3 3.046 -38.737 -5.819 1.00 0.00 H new ATOM 0 HD3 PRO A -3 3.688 -40.331 -5.476 1.00 0.00 H new ATOM 24 N LEU A -2 6.110 -36.761 -2.025 1.00 0.00 N ATOM 25 CA LEU A -2 6.257 -35.376 -1.583 1.00 0.00 C ATOM 26 C LEU A -2 7.641 -35.155 -0.976 1.00 0.00 C ATOM 27 O LEU A -2 8.430 -36.091 -0.840 1.00 0.00 O ATOM 28 CB LEU A -2 5.166 -35.029 -0.554 1.00 0.00 C ATOM 29 CG LEU A -2 4.885 -36.245 0.335 1.00 0.00 C ATOM 30 CD1 LEU A -2 6.174 -36.679 1.045 1.00 0.00 C ATOM 31 CD2 LEU A -2 3.826 -35.874 1.376 1.00 0.00 C ATOM 0 H LEU A -2 6.705 -37.429 -1.534 1.00 0.00 H new ATOM 0 HA LEU A -2 6.147 -34.722 -2.448 1.00 0.00 H new ATOM 0 HB2 LEU A -2 5.486 -34.186 0.058 1.00 0.00 H new ATOM 0 HB3 LEU A -2 4.254 -34.723 -1.067 1.00 0.00 H new ATOM 0 HG LEU A -2 4.522 -37.068 -0.280 1.00 0.00 H new ATOM 0 HD11 LEU A -2 5.968 -37.544 1.676 1.00 0.00 H new ATOM 0 HD12 LEU A -2 6.927 -36.942 0.303 1.00 0.00 H new ATOM 0 HD13 LEU A -2 6.543 -35.860 1.662 1.00 0.00 H new ATOM 0 HD21 LEU A -2 3.622 -36.736 2.011 1.00 0.00 H new ATOM 0 HD22 LEU A -2 4.191 -35.050 1.989 1.00 0.00 H new ATOM 0 HD23 LEU A -2 2.909 -35.571 0.870 1.00 0.00 H new ATOM 43 N GLY A -1 7.927 -33.909 -0.616 1.00 0.00 N ATOM 44 CA GLY A -1 9.215 -33.575 -0.024 1.00 0.00 C ATOM 45 C GLY A -1 9.379 -32.067 0.118 1.00 0.00 C ATOM 46 O GLY A -1 8.464 -31.305 -0.181 1.00 0.00 O ATOM 0 H GLY A -1 7.290 -33.120 -0.723 1.00 0.00 H new ATOM 0 HA2 GLY A -1 9.302 -34.047 0.955 1.00 0.00 H new ATOM 0 HA3 GLY A -1 10.018 -33.975 -0.643 1.00 0.00 H new ATOM 50 N SER A 0 10.554 -31.644 0.569 1.00 0.00 N ATOM 51 CA SER A 0 10.832 -30.222 0.742 1.00 0.00 C ATOM 52 C SER A 0 10.954 -29.528 -0.613 1.00 0.00 C ATOM 53 O SER A 0 10.859 -28.305 -0.710 1.00 0.00 O ATOM 54 CB SER A 0 12.124 -30.034 1.535 1.00 0.00 C ATOM 55 OG SER A 0 11.943 -30.533 2.854 1.00 0.00 O ATOM 0 H SER A 0 11.326 -32.261 0.821 1.00 0.00 H new ATOM 0 HA SER A 0 10.003 -29.774 1.291 1.00 0.00 H new ATOM 0 HB2 SER A 0 12.944 -30.558 1.045 1.00 0.00 H new ATOM 0 HB3 SER A 0 12.394 -28.978 1.567 1.00 0.00 H new ATOM 0 HG SER A 0 12.771 -30.415 3.365 1.00 0.00 H new ATOM 61 N ARG A 74 11.170 -30.318 -1.657 1.00 0.00 N ATOM 62 CA ARG A 74 11.308 -29.776 -3.005 1.00 0.00 C ATOM 63 C ARG A 74 10.009 -29.128 -3.469 1.00 0.00 C ATOM 64 O ARG A 74 9.983 -28.421 -4.476 1.00 0.00 O ATOM 65 CB ARG A 74 11.712 -30.889 -3.974 1.00 0.00 C ATOM 66 CG ARG A 74 10.565 -31.894 -4.115 1.00 0.00 C ATOM 67 CD ARG A 74 11.041 -33.101 -4.925 1.00 0.00 C ATOM 68 NE ARG A 74 9.943 -34.040 -5.121 1.00 0.00 N ATOM 69 CZ ARG A 74 10.124 -35.182 -5.778 1.00 0.00 C ATOM 70 NH1 ARG A 74 11.300 -35.476 -6.261 1.00 0.00 N ATOM 71 NH2 ARG A 74 9.125 -36.007 -5.940 1.00 0.00 N ATOM 0 H ARG A 74 11.253 -31.333 -1.598 1.00 0.00 H new ATOM 0 HA ARG A 74 12.084 -29.011 -2.989 1.00 0.00 H new ATOM 0 HB2 ARG A 74 11.958 -30.465 -4.947 1.00 0.00 H new ATOM 0 HB3 ARG A 74 12.607 -31.393 -3.610 1.00 0.00 H new ATOM 0 HG2 ARG A 74 10.225 -32.215 -3.130 1.00 0.00 H new ATOM 0 HG3 ARG A 74 9.714 -31.424 -4.608 1.00 0.00 H new ATOM 0 HD2 ARG A 74 11.424 -32.772 -5.891 1.00 0.00 H new ATOM 0 HD3 ARG A 74 11.863 -33.595 -4.407 1.00 0.00 H new ATOM 0 HE ARG A 74 9.020 -33.817 -4.748 1.00 0.00 H new ATOM 0 HH11 ARG A 74 12.079 -34.830 -6.134 1.00 0.00 H new ATOM 0 HH12 ARG A 74 11.440 -36.352 -6.765 1.00 0.00 H new ATOM 0 HH21 ARG A 74 8.206 -35.775 -5.563 1.00 0.00 H new ATOM 0 HH22 ARG A 74 9.264 -36.883 -6.444 1.00 0.00 H new ATOM 85 N LYS A 75 8.928 -29.384 -2.739 1.00 0.00 N ATOM 86 CA LYS A 75 7.628 -28.827 -3.098 1.00 0.00 C ATOM 87 C LYS A 75 7.479 -27.405 -2.576 1.00 0.00 C ATOM 88 O LYS A 75 6.486 -26.730 -2.846 1.00 0.00 O ATOM 89 CB LYS A 75 6.514 -29.714 -2.535 1.00 0.00 C ATOM 90 CG LYS A 75 6.323 -29.422 -1.038 1.00 0.00 C ATOM 91 CD LYS A 75 5.531 -30.548 -0.374 1.00 0.00 C ATOM 92 CE LYS A 75 4.090 -30.529 -0.886 1.00 0.00 C ATOM 93 NZ LYS A 75 3.282 -31.508 -0.113 1.00 0.00 N ATOM 0 H LYS A 75 8.925 -29.968 -1.903 1.00 0.00 H new ATOM 0 HA LYS A 75 7.554 -28.797 -4.185 1.00 0.00 H new ATOM 0 HB2 LYS A 75 5.584 -29.530 -3.072 1.00 0.00 H new ATOM 0 HB3 LYS A 75 6.764 -30.765 -2.681 1.00 0.00 H new ATOM 0 HG2 LYS A 75 7.294 -29.317 -0.554 1.00 0.00 H new ATOM 0 HG3 LYS A 75 5.799 -28.475 -0.909 1.00 0.00 H new ATOM 0 HD2 LYS A 75 5.993 -31.510 -0.593 1.00 0.00 H new ATOM 0 HD3 LYS A 75 5.545 -30.427 0.709 1.00 0.00 H new ATOM 0 HE2 LYS A 75 3.668 -29.529 -0.782 1.00 0.00 H new ATOM 0 HE3 LYS A 75 4.065 -30.777 -1.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 2.301 -31.498 -0.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 3.682 -32.460 -0.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 3.297 -31.252 0.895 1.00 0.00 H new ATOM 107 N ILE A 76 8.467 -26.965 -1.822 1.00 0.00 N ATOM 108 CA ILE A 76 8.441 -25.619 -1.251 1.00 0.00 C ATOM 109 C ILE A 76 8.968 -24.606 -2.256 1.00 0.00 C ATOM 110 O ILE A 76 10.075 -24.750 -2.772 1.00 0.00 O ATOM 111 CB ILE A 76 9.290 -25.565 0.024 1.00 0.00 C ATOM 112 CG1 ILE A 76 8.825 -26.658 0.998 1.00 0.00 C ATOM 113 CG2 ILE A 76 9.136 -24.193 0.687 1.00 0.00 C ATOM 114 CD1 ILE A 76 7.328 -26.497 1.321 1.00 0.00 C ATOM 0 H ILE A 76 9.296 -27.511 -1.587 1.00 0.00 H new ATOM 0 HA ILE A 76 7.408 -25.372 -1.004 1.00 0.00 H new ATOM 0 HB ILE A 76 10.337 -25.728 -0.233 1.00 0.00 H new ATOM 0 HG12 ILE A 76 9.005 -27.641 0.562 1.00 0.00 H new ATOM 0 HG13 ILE A 76 9.408 -26.605 1.917 1.00 0.00 H new ATOM 0 HG21 ILE A 76 9.740 -24.157 1.593 1.00 0.00 H new ATOM 0 HG22 ILE A 76 9.468 -23.417 -0.002 1.00 0.00 H new ATOM 0 HG23 ILE A 76 8.089 -24.028 0.942 1.00 0.00 H new ATOM 0 HD11 ILE A 76 7.019 -27.281 2.012 1.00 0.00 H new ATOM 0 HD12 ILE A 76 7.157 -25.522 1.778 1.00 0.00 H new ATOM 0 HD13 ILE A 76 6.747 -26.574 0.402 1.00 0.00 H new ATOM 126 N ALA A 77 8.163 -23.585 -2.533 1.00 0.00 N ATOM 127 CA ALA A 77 8.560 -22.556 -3.483 1.00 0.00 C ATOM 128 C ALA A 77 9.729 -21.747 -2.934 1.00 0.00 C ATOM 129 O ALA A 77 9.703 -21.300 -1.787 1.00 0.00 O ATOM 130 CB ALA A 77 7.379 -21.626 -3.765 1.00 0.00 C ATOM 0 H ALA A 77 7.241 -23.450 -2.117 1.00 0.00 H new ATOM 0 HA ALA A 77 8.871 -23.039 -4.409 1.00 0.00 H new ATOM 0 HB1 ALA A 77 7.682 -20.858 -4.477 1.00 0.00 H new ATOM 0 HB2 ALA A 77 6.554 -22.202 -4.183 1.00 0.00 H new ATOM 0 HB3 ALA A 77 7.058 -21.154 -2.837 1.00 0.00 H new ATOM 136 N GLN A 78 10.752 -21.558 -3.762 1.00 0.00 N ATOM 137 CA GLN A 78 11.930 -20.796 -3.351 1.00 0.00 C ATOM 138 C GLN A 78 11.706 -19.302 -3.560 1.00 0.00 C ATOM 139 O GLN A 78 11.050 -18.893 -4.518 1.00 0.00 O ATOM 140 CB GLN A 78 13.149 -21.252 -4.152 1.00 0.00 C ATOM 141 CG GLN A 78 13.463 -22.711 -3.814 1.00 0.00 C ATOM 142 CD GLN A 78 14.686 -23.175 -4.597 1.00 0.00 C ATOM 143 OE1 GLN A 78 15.621 -22.403 -4.802 1.00 0.00 O ATOM 144 NE2 GLN A 78 14.739 -24.402 -5.041 1.00 0.00 N ATOM 0 H GLN A 78 10.791 -21.919 -4.715 1.00 0.00 H new ATOM 0 HA GLN A 78 12.104 -20.976 -2.290 1.00 0.00 H new ATOM 0 HB2 GLN A 78 12.956 -21.148 -5.220 1.00 0.00 H new ATOM 0 HB3 GLN A 78 14.007 -20.621 -3.920 1.00 0.00 H new ATOM 0 HG2 GLN A 78 13.645 -22.814 -2.744 1.00 0.00 H new ATOM 0 HG3 GLN A 78 12.607 -23.341 -4.054 1.00 0.00 H new ATOM 0 HE21 GLN A 78 13.962 -25.040 -4.870 1.00 0.00 H new ATOM 0 HE22 GLN A 78 15.557 -24.722 -5.559 1.00 0.00 H new ATOM 153 N MET A 79 12.254 -18.493 -2.659 1.00 0.00 N ATOM 154 CA MET A 79 12.104 -17.047 -2.760 1.00 0.00 C ATOM 155 C MET A 79 13.020 -16.488 -3.844 1.00 0.00 C ATOM 156 O MET A 79 14.210 -16.800 -3.888 1.00 0.00 O ATOM 157 CB MET A 79 12.443 -16.394 -1.421 1.00 0.00 C ATOM 158 CG MET A 79 11.385 -16.777 -0.386 1.00 0.00 C ATOM 159 SD MET A 79 11.657 -15.822 1.128 1.00 0.00 S ATOM 160 CE MET A 79 13.215 -16.600 1.628 1.00 0.00 C ATOM 0 H MET A 79 12.801 -18.810 -1.858 1.00 0.00 H new ATOM 0 HA MET A 79 11.070 -16.825 -3.023 1.00 0.00 H new ATOM 0 HB2 MET A 79 13.429 -16.717 -1.086 1.00 0.00 H new ATOM 0 HB3 MET A 79 12.483 -15.310 -1.532 1.00 0.00 H new ATOM 0 HG2 MET A 79 10.387 -16.581 -0.779 1.00 0.00 H new ATOM 0 HG3 MET A 79 11.439 -17.844 -0.171 1.00 0.00 H new ATOM 0 HE1 MET A 79 13.357 -16.473 2.701 1.00 0.00 H new ATOM 0 HE2 MET A 79 13.184 -17.663 1.390 1.00 0.00 H new ATOM 0 HE3 MET A 79 14.043 -16.133 1.094 1.00 0.00 H new ATOM 170 N THR A 80 12.456 -15.655 -4.712 1.00 0.00 N ATOM 171 CA THR A 80 13.223 -15.049 -5.793 1.00 0.00 C ATOM 172 C THR A 80 13.994 -13.838 -5.281 1.00 0.00 C ATOM 173 O THR A 80 13.760 -13.365 -4.170 1.00 0.00 O ATOM 174 CB THR A 80 12.291 -14.625 -6.929 1.00 0.00 C ATOM 175 OG1 THR A 80 11.432 -13.592 -6.472 1.00 0.00 O ATOM 176 CG2 THR A 80 11.455 -15.824 -7.380 1.00 0.00 C ATOM 0 H THR A 80 11.473 -15.385 -4.688 1.00 0.00 H new ATOM 0 HA THR A 80 13.931 -15.787 -6.170 1.00 0.00 H new ATOM 0 HB THR A 80 12.883 -14.262 -7.769 1.00 0.00 H new ATOM 0 HG1 THR A 80 10.531 -13.733 -6.832 1.00 0.00 H new ATOM 0 HG21 THR A 80 10.791 -15.521 -8.190 1.00 0.00 H new ATOM 0 HG22 THR A 80 12.116 -16.617 -7.730 1.00 0.00 H new ATOM 0 HG23 THR A 80 10.862 -16.190 -6.542 1.00 0.00 H new ATOM 184 N GLU A 82 14.910 -13.338 -6.099 1.00 0.00 N ATOM 185 CA GLU A 82 15.706 -12.178 -5.719 1.00 0.00 C ATOM 186 C GLU A 82 14.795 -10.984 -5.456 1.00 0.00 C ATOM 187 O GLU A 82 15.037 -10.202 -4.538 1.00 0.00 O ATOM 188 CB GLU A 82 16.696 -11.839 -6.839 1.00 0.00 C ATOM 189 CG GLU A 82 17.777 -12.924 -6.919 1.00 0.00 C ATOM 190 CD GLU A 82 17.214 -14.179 -7.579 1.00 0.00 C ATOM 191 OE1 GLU A 82 16.175 -14.080 -8.213 1.00 0.00 O ATOM 192 OE2 GLU A 82 17.826 -15.224 -7.433 1.00 0.00 O ATOM 0 H GLU A 82 15.120 -13.714 -7.024 1.00 0.00 H new ATOM 0 HA GLU A 82 16.259 -12.409 -4.809 1.00 0.00 H new ATOM 0 HB2 GLU A 82 16.171 -11.764 -7.791 1.00 0.00 H new ATOM 0 HB3 GLU A 82 17.155 -10.868 -6.651 1.00 0.00 H new ATOM 0 HG2 GLU A 82 18.631 -12.556 -7.488 1.00 0.00 H new ATOM 0 HG3 GLU A 82 18.139 -13.161 -5.919 1.00 0.00 H new ATOM 199 N GLU A 83 13.751 -10.851 -6.268 1.00 0.00 N ATOM 200 CA GLU A 83 12.812 -9.748 -6.107 1.00 0.00 C ATOM 201 C GLU A 83 12.076 -9.865 -4.774 1.00 0.00 C ATOM 202 O GLU A 83 11.864 -8.871 -4.082 1.00 0.00 O ATOM 203 CB GLU A 83 11.799 -9.761 -7.255 1.00 0.00 C ATOM 204 CG GLU A 83 12.506 -9.416 -8.572 1.00 0.00 C ATOM 205 CD GLU A 83 13.272 -10.631 -9.091 1.00 0.00 C ATOM 206 OE1 GLU A 83 13.061 -11.712 -8.566 1.00 0.00 O ATOM 207 OE2 GLU A 83 14.063 -10.461 -10.003 1.00 0.00 O ATOM 0 H GLU A 83 13.536 -11.486 -7.036 1.00 0.00 H new ATOM 0 HA GLU A 83 13.368 -8.811 -6.121 1.00 0.00 H new ATOM 0 HB2 GLU A 83 11.331 -10.743 -7.329 1.00 0.00 H new ATOM 0 HB3 GLU A 83 11.003 -9.042 -7.059 1.00 0.00 H new ATOM 0 HG2 GLU A 83 11.774 -9.094 -9.313 1.00 0.00 H new ATOM 0 HG3 GLU A 83 13.192 -8.583 -8.418 1.00 0.00 H new ATOM 214 N GLN A 84 11.700 -11.089 -4.415 1.00 0.00 N ATOM 215 CA GLN A 84 10.994 -11.330 -3.160 1.00 0.00 C ATOM 216 C GLN A 84 11.874 -10.964 -1.971 1.00 0.00 C ATOM 217 O GLN A 84 11.397 -10.417 -0.978 1.00 0.00 O ATOM 218 CB GLN A 84 10.575 -12.797 -3.061 1.00 0.00 C ATOM 219 CG GLN A 84 9.445 -13.072 -4.057 1.00 0.00 C ATOM 220 CD GLN A 84 9.072 -14.550 -4.030 1.00 0.00 C ATOM 221 OE1 GLN A 84 9.877 -15.398 -4.409 1.00 0.00 O ATOM 222 NE2 GLN A 84 7.897 -14.912 -3.601 1.00 0.00 N ATOM 0 H GLN A 84 11.871 -11.926 -4.972 1.00 0.00 H new ATOM 0 HA GLN A 84 10.103 -10.702 -3.143 1.00 0.00 H new ATOM 0 HB2 GLN A 84 11.426 -13.445 -3.272 1.00 0.00 H new ATOM 0 HB3 GLN A 84 10.245 -13.025 -2.048 1.00 0.00 H new ATOM 0 HG2 GLN A 84 8.575 -12.465 -3.809 1.00 0.00 H new ATOM 0 HG3 GLN A 84 9.757 -12.786 -5.061 1.00 0.00 H new ATOM 0 HE21 GLN A 84 7.230 -14.208 -3.287 1.00 0.00 H new ATOM 0 HE22 GLN A 84 7.644 -15.900 -3.579 1.00 0.00 H new ATOM 231 N PHE A 85 13.162 -11.267 -2.079 1.00 0.00 N ATOM 232 CA PHE A 85 14.098 -10.969 -1.000 1.00 0.00 C ATOM 233 C PHE A 85 14.143 -9.467 -0.727 1.00 0.00 C ATOM 234 O PHE A 85 14.054 -9.034 0.424 1.00 0.00 O ATOM 235 CB PHE A 85 15.498 -11.460 -1.379 1.00 0.00 C ATOM 236 CG PHE A 85 16.479 -11.079 -0.296 1.00 0.00 C ATOM 237 CD1 PHE A 85 16.532 -11.820 0.891 1.00 0.00 C ATOM 238 CD2 PHE A 85 17.334 -9.984 -0.475 1.00 0.00 C ATOM 239 CE1 PHE A 85 17.440 -11.468 1.897 1.00 0.00 C ATOM 240 CE2 PHE A 85 18.241 -9.632 0.530 1.00 0.00 C ATOM 241 CZ PHE A 85 18.294 -10.374 1.717 1.00 0.00 C ATOM 0 H PHE A 85 13.580 -11.715 -2.894 1.00 0.00 H new ATOM 0 HA PHE A 85 13.761 -11.481 -0.098 1.00 0.00 H new ATOM 0 HB2 PHE A 85 15.491 -12.542 -1.513 1.00 0.00 H new ATOM 0 HB3 PHE A 85 15.803 -11.023 -2.330 1.00 0.00 H new ATOM 0 HD1 PHE A 85 15.872 -12.663 1.031 1.00 0.00 H new ATOM 0 HD2 PHE A 85 17.293 -9.411 -1.390 1.00 0.00 H new ATOM 0 HE1 PHE A 85 17.481 -12.041 2.812 1.00 0.00 H new ATOM 0 HE2 PHE A 85 18.900 -8.788 0.391 1.00 0.00 H new ATOM 0 HZ PHE A 85 18.994 -10.102 2.493 1.00 0.00 H new ATOM 251 N ALA A 86 14.281 -8.678 -1.788 1.00 0.00 N ATOM 252 CA ALA A 86 14.335 -7.227 -1.646 1.00 0.00 C ATOM 253 C ALA A 86 13.038 -6.702 -1.036 1.00 0.00 C ATOM 254 O ALA A 86 13.053 -5.813 -0.185 1.00 0.00 O ATOM 255 CB ALA A 86 14.569 -6.579 -3.012 1.00 0.00 C ATOM 0 H ALA A 86 14.357 -9.015 -2.748 1.00 0.00 H new ATOM 0 HA ALA A 86 15.160 -6.972 -0.982 1.00 0.00 H new ATOM 0 HB1 ALA A 86 14.608 -5.496 -2.899 1.00 0.00 H new ATOM 0 HB2 ALA A 86 15.512 -6.935 -3.427 1.00 0.00 H new ATOM 0 HB3 ALA A 86 13.754 -6.844 -3.685 1.00 0.00 H new ATOM 261 N LEU A 87 11.917 -7.263 -1.474 1.00 0.00 N ATOM 262 CA LEU A 87 10.617 -6.848 -0.958 1.00 0.00 C ATOM 263 C LEU A 87 10.445 -7.306 0.484 1.00 0.00 C ATOM 264 O LEU A 87 9.805 -6.627 1.284 1.00 0.00 O ATOM 265 CB LEU A 87 9.488 -7.429 -1.842 1.00 0.00 C ATOM 266 CG LEU A 87 9.068 -6.411 -2.908 1.00 0.00 C ATOM 267 CD1 LEU A 87 10.234 -6.149 -3.864 1.00 0.00 C ATOM 268 CD2 LEU A 87 7.877 -6.962 -3.689 1.00 0.00 C ATOM 0 H LEU A 87 11.881 -8.000 -2.179 1.00 0.00 H new ATOM 0 HA LEU A 87 10.562 -5.760 -0.983 1.00 0.00 H new ATOM 0 HB2 LEU A 87 9.828 -8.347 -2.321 1.00 0.00 H new ATOM 0 HB3 LEU A 87 8.630 -7.691 -1.222 1.00 0.00 H new ATOM 0 HG LEU A 87 8.787 -5.475 -2.425 1.00 0.00 H new ATOM 0 HD11 LEU A 87 9.929 -5.425 -4.619 1.00 0.00 H new ATOM 0 HD12 LEU A 87 11.082 -5.755 -3.304 1.00 0.00 H new ATOM 0 HD13 LEU A 87 10.522 -7.081 -4.350 1.00 0.00 H new ATOM 0 HD21 LEU A 87 7.575 -6.241 -4.448 1.00 0.00 H new ATOM 0 HD22 LEU A 87 8.159 -7.899 -4.170 1.00 0.00 H new ATOM 0 HD23 LEU A 87 7.046 -7.140 -3.007 1.00 0.00 H new ATOM 280 N ALA A 88 11.011 -8.461 0.803 1.00 0.00 N ATOM 281 CA ALA A 88 10.898 -8.998 2.148 1.00 0.00 C ATOM 282 C ALA A 88 11.500 -8.023 3.154 1.00 0.00 C ATOM 283 O ALA A 88 10.928 -7.786 4.216 1.00 0.00 O ATOM 284 CB ALA A 88 11.627 -10.342 2.229 1.00 0.00 C ATOM 0 H ALA A 88 11.547 -9.038 0.155 1.00 0.00 H new ATOM 0 HA ALA A 88 9.844 -9.144 2.385 1.00 0.00 H new ATOM 0 HB1 ALA A 88 11.541 -10.742 3.239 1.00 0.00 H new ATOM 0 HB2 ALA A 88 11.181 -11.041 1.522 1.00 0.00 H new ATOM 0 HB3 ALA A 88 12.680 -10.200 1.984 1.00 0.00 H new ATOM 290 N LEU A 89 12.649 -7.452 2.807 1.00 0.00 N ATOM 291 CA LEU A 89 13.308 -6.495 3.693 1.00 0.00 C ATOM 292 C LEU A 89 12.485 -5.213 3.812 1.00 0.00 C ATOM 293 O LEU A 89 12.299 -4.673 4.905 1.00 0.00 O ATOM 294 CB LEU A 89 14.695 -6.164 3.139 1.00 0.00 C ATOM 295 CG LEU A 89 15.595 -7.403 3.230 1.00 0.00 C ATOM 296 CD1 LEU A 89 16.894 -7.146 2.459 1.00 0.00 C ATOM 297 CD2 LEU A 89 15.923 -7.726 4.706 1.00 0.00 C ATOM 0 H LEU A 89 13.139 -7.631 1.931 1.00 0.00 H new ATOM 0 HA LEU A 89 13.400 -6.940 4.684 1.00 0.00 H new ATOM 0 HB2 LEU A 89 14.615 -5.836 2.103 1.00 0.00 H new ATOM 0 HB3 LEU A 89 15.135 -5.340 3.701 1.00 0.00 H new ATOM 0 HG LEU A 89 15.070 -8.253 2.795 1.00 0.00 H new ATOM 0 HD11 LEU A 89 17.535 -8.025 2.523 1.00 0.00 H new ATOM 0 HD12 LEU A 89 16.662 -6.941 1.414 1.00 0.00 H new ATOM 0 HD13 LEU A 89 17.410 -6.289 2.891 1.00 0.00 H new ATOM 0 HD21 LEU A 89 16.562 -8.608 4.752 1.00 0.00 H new ATOM 0 HD22 LEU A 89 16.440 -6.879 5.158 1.00 0.00 H new ATOM 0 HD23 LEU A 89 14.999 -7.919 5.250 1.00 0.00 H new ATOM 309 N LYS A 90 11.981 -4.741 2.678 1.00 0.00 N ATOM 310 CA LYS A 90 11.170 -3.530 2.666 1.00 0.00 C ATOM 311 C LYS A 90 9.871 -3.754 3.431 1.00 0.00 C ATOM 312 O LYS A 90 9.394 -2.871 4.141 1.00 0.00 O ATOM 313 CB LYS A 90 10.865 -3.112 1.226 1.00 0.00 C ATOM 314 CG LYS A 90 12.145 -2.607 0.555 1.00 0.00 C ATOM 315 CD LYS A 90 11.836 -2.190 -0.885 1.00 0.00 C ATOM 316 CE LYS A 90 13.120 -1.717 -1.569 1.00 0.00 C ATOM 317 NZ LYS A 90 13.630 -0.495 -0.885 1.00 0.00 N ATOM 0 H LYS A 90 12.117 -5.173 1.764 1.00 0.00 H new ATOM 0 HA LYS A 90 11.731 -2.732 3.154 1.00 0.00 H new ATOM 0 HB2 LYS A 90 10.460 -3.957 0.670 1.00 0.00 H new ATOM 0 HB3 LYS A 90 10.105 -2.331 1.217 1.00 0.00 H new ATOM 0 HG2 LYS A 90 12.550 -1.761 1.111 1.00 0.00 H new ATOM 0 HG3 LYS A 90 12.905 -3.388 0.564 1.00 0.00 H new ATOM 0 HD2 LYS A 90 11.408 -3.029 -1.433 1.00 0.00 H new ATOM 0 HD3 LYS A 90 11.093 -1.392 -0.892 1.00 0.00 H new ATOM 0 HE2 LYS A 90 13.873 -2.505 -1.537 1.00 0.00 H new ATOM 0 HE3 LYS A 90 12.927 -1.504 -2.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 14.289 0.006 -1.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 12.833 0.130 -0.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 14.125 -0.767 -0.011 1.00 0.00 H new ATOM 331 N MET A 91 9.304 -4.945 3.277 1.00 0.00 N ATOM 332 CA MET A 91 8.057 -5.283 3.950 1.00 0.00 C ATOM 333 C MET A 91 8.245 -5.267 5.465 1.00 0.00 C ATOM 334 O MET A 91 7.374 -4.805 6.202 1.00 0.00 O ATOM 335 CB MET A 91 7.578 -6.667 3.502 1.00 0.00 C ATOM 336 CG MET A 91 6.218 -6.967 4.134 1.00 0.00 C ATOM 337 SD MET A 91 5.599 -8.552 3.514 1.00 0.00 S ATOM 338 CE MET A 91 4.048 -8.570 4.447 1.00 0.00 C ATOM 0 H MET A 91 9.687 -5.690 2.694 1.00 0.00 H new ATOM 0 HA MET A 91 7.307 -4.539 3.682 1.00 0.00 H new ATOM 0 HB2 MET A 91 7.501 -6.703 2.415 1.00 0.00 H new ATOM 0 HB3 MET A 91 8.303 -7.427 3.795 1.00 0.00 H new ATOM 0 HG2 MET A 91 6.309 -7.000 5.220 1.00 0.00 H new ATOM 0 HG3 MET A 91 5.512 -6.171 3.897 1.00 0.00 H new ATOM 0 HE1 MET A 91 3.493 -9.479 4.213 1.00 0.00 H new ATOM 0 HE2 MET A 91 4.265 -8.542 5.515 1.00 0.00 H new ATOM 0 HE3 MET A 91 3.450 -7.700 4.176 1.00 0.00 H new ATOM 348 N SER A 92 9.384 -5.779 5.922 1.00 0.00 N ATOM 349 CA SER A 92 9.668 -5.817 7.352 1.00 0.00 C ATOM 350 C SER A 92 9.715 -4.406 7.926 1.00 0.00 C ATOM 351 O SER A 92 9.219 -4.155 9.025 1.00 0.00 O ATOM 352 CB SER A 92 11.011 -6.508 7.594 1.00 0.00 C ATOM 353 OG SER A 92 12.045 -5.757 6.974 1.00 0.00 O ATOM 0 H SER A 92 10.118 -6.169 5.330 1.00 0.00 H new ATOM 0 HA SER A 92 8.873 -6.374 7.848 1.00 0.00 H new ATOM 0 HB2 SER A 92 11.201 -6.595 8.664 1.00 0.00 H new ATOM 0 HB3 SER A 92 10.990 -7.521 7.191 1.00 0.00 H new ATOM 0 HG SER A 92 11.746 -5.457 6.090 1.00 0.00 H new ATOM 359 N GLU A 93 10.305 -3.483 7.169 1.00 0.00 N ATOM 360 CA GLU A 93 10.397 -2.094 7.613 1.00 0.00 C ATOM 361 C GLU A 93 9.009 -1.462 7.709 1.00 0.00 C ATOM 362 O GLU A 93 8.723 -0.694 8.626 1.00 0.00 O ATOM 363 CB GLU A 93 11.257 -1.292 6.638 1.00 0.00 C ATOM 364 CG GLU A 93 12.718 -1.724 6.774 1.00 0.00 C ATOM 365 CD GLU A 93 13.551 -1.090 5.665 1.00 0.00 C ATOM 366 OE1 GLU A 93 12.965 -0.638 4.695 1.00 0.00 O ATOM 367 OE2 GLU A 93 14.763 -1.063 5.804 1.00 0.00 O ATOM 0 H GLU A 93 10.722 -3.668 6.257 1.00 0.00 H new ATOM 0 HA GLU A 93 10.856 -2.080 8.602 1.00 0.00 H new ATOM 0 HB2 GLU A 93 10.913 -1.452 5.616 1.00 0.00 H new ATOM 0 HB3 GLU A 93 11.161 -0.226 6.844 1.00 0.00 H new ATOM 0 HG2 GLU A 93 13.106 -1.426 7.748 1.00 0.00 H new ATOM 0 HG3 GLU A 93 12.792 -2.810 6.721 1.00 0.00 H new ATOM 374 N GLN A 94 8.145 -1.802 6.760 1.00 0.00 N ATOM 375 CA GLN A 94 6.787 -1.265 6.744 1.00 0.00 C ATOM 376 C GLN A 94 6.016 -1.730 7.975 1.00 0.00 C ATOM 377 O GLN A 94 5.212 -0.983 8.534 1.00 0.00 O ATOM 378 CB GLN A 94 6.058 -1.719 5.477 1.00 0.00 C ATOM 379 CG GLN A 94 6.657 -1.009 4.261 1.00 0.00 C ATOM 380 CD GLN A 94 5.962 -1.482 2.989 1.00 0.00 C ATOM 381 OE1 GLN A 94 4.741 -1.636 2.967 1.00 0.00 O ATOM 382 NE2 GLN A 94 6.673 -1.727 1.921 1.00 0.00 N ATOM 0 H GLN A 94 8.357 -2.443 5.995 1.00 0.00 H new ATOM 0 HA GLN A 94 6.845 -0.177 6.755 1.00 0.00 H new ATOM 0 HB2 GLN A 94 6.147 -2.799 5.361 1.00 0.00 H new ATOM 0 HB3 GLN A 94 4.995 -1.493 5.556 1.00 0.00 H new ATOM 0 HG2 GLN A 94 6.545 0.070 4.367 1.00 0.00 H new ATOM 0 HG3 GLN A 94 7.726 -1.214 4.199 1.00 0.00 H new ATOM 0 HE21 GLN A 94 7.685 -1.599 1.941 1.00 0.00 H new ATOM 0 HE22 GLN A 94 6.217 -2.047 1.067 1.00 0.00 H new ATOM 391 N GLU A 95 6.270 -2.964 8.393 1.00 0.00 N ATOM 392 CA GLU A 95 5.597 -3.522 9.561 1.00 0.00 C ATOM 393 C GLU A 95 6.135 -2.897 10.843 1.00 0.00 C ATOM 394 O GLU A 95 5.602 -3.134 11.925 1.00 0.00 O ATOM 395 CB GLU A 95 5.800 -5.038 9.607 1.00 0.00 C ATOM 396 CG GLU A 95 5.120 -5.683 8.399 1.00 0.00 C ATOM 397 CD GLU A 95 3.605 -5.591 8.546 1.00 0.00 C ATOM 398 OE1 GLU A 95 3.151 -5.330 9.649 1.00 0.00 O ATOM 399 OE2 GLU A 95 2.920 -5.784 7.556 1.00 0.00 O ATOM 0 H GLU A 95 6.933 -3.595 7.944 1.00 0.00 H new ATOM 0 HA GLU A 95 4.533 -3.299 9.482 1.00 0.00 H new ATOM 0 HB2 GLU A 95 6.864 -5.273 9.606 1.00 0.00 H new ATOM 0 HB3 GLU A 95 5.385 -5.443 10.530 1.00 0.00 H new ATOM 0 HG2 GLU A 95 5.436 -5.184 7.483 1.00 0.00 H new ATOM 0 HG3 GLU A 95 5.423 -6.727 8.314 1.00 0.00 H new ATOM 406 N ALA A 96 7.188 -2.094 10.713 1.00 0.00 N ATOM 407 CA ALA A 96 7.788 -1.429 11.867 1.00 0.00 C ATOM 408 C ALA A 96 8.671 -2.397 12.648 1.00 0.00 C ATOM 409 O ALA A 96 8.879 -2.231 13.849 1.00 0.00 O ATOM 410 CB ALA A 96 6.683 -0.872 12.779 1.00 0.00 C ATOM 0 H ALA A 96 7.642 -1.888 9.823 1.00 0.00 H new ATOM 0 HA ALA A 96 8.410 -0.608 11.511 1.00 0.00 H new ATOM 0 HB1 ALA A 96 7.136 -0.377 13.638 1.00 0.00 H new ATOM 0 HB2 ALA A 96 6.080 -0.154 12.223 1.00 0.00 H new ATOM 0 HB3 ALA A 96 6.049 -1.689 13.123 1.00 0.00 H new ATOM 416 N ARG A 97 9.187 -3.404 11.958 1.00 0.00 N ATOM 417 CA ARG A 97 10.044 -4.391 12.601 1.00 0.00 C ATOM 418 C ARG A 97 11.284 -3.720 13.180 1.00 0.00 C ATOM 419 O ARG A 97 11.678 -4.003 14.310 1.00 0.00 O ATOM 420 CB ARG A 97 10.464 -5.458 11.587 1.00 0.00 C ATOM 421 CG ARG A 97 11.226 -6.579 12.303 1.00 0.00 C ATOM 422 CD ARG A 97 11.748 -7.579 11.275 1.00 0.00 C ATOM 423 NE ARG A 97 10.636 -8.171 10.534 1.00 0.00 N ATOM 424 CZ ARG A 97 9.985 -9.233 10.998 1.00 0.00 C ATOM 425 NH1 ARG A 97 10.334 -9.767 12.135 1.00 0.00 N ATOM 426 NH2 ARG A 97 8.995 -9.739 10.315 1.00 0.00 N ATOM 0 H ARG A 97 9.030 -3.559 10.962 1.00 0.00 H new ATOM 0 HA ARG A 97 9.485 -4.861 13.410 1.00 0.00 H new ATOM 0 HB2 ARG A 97 9.585 -5.864 11.087 1.00 0.00 H new ATOM 0 HB3 ARG A 97 11.092 -5.013 10.815 1.00 0.00 H new ATOM 0 HG2 ARG A 97 12.056 -6.162 12.874 1.00 0.00 H new ATOM 0 HG3 ARG A 97 10.571 -7.082 13.014 1.00 0.00 H new ATOM 0 HD2 ARG A 97 12.429 -7.080 10.585 1.00 0.00 H new ATOM 0 HD3 ARG A 97 12.318 -8.362 11.776 1.00 0.00 H new ATOM 0 HE ARG A 97 10.354 -7.761 9.643 1.00 0.00 H new ATOM 0 HH11 ARG A 97 11.107 -9.370 12.669 1.00 0.00 H new ATOM 0 HH12 ARG A 97 9.834 -10.582 12.491 1.00 0.00 H new ATOM 0 HH21 ARG A 97 8.722 -9.320 9.426 1.00 0.00 H new ATOM 0 HH22 ARG A 97 8.495 -10.554 10.670 1.00 0.00 H new ATOM 440 N GLU A 98 11.894 -2.827 12.401 1.00 0.00 N ATOM 441 CA GLU A 98 13.096 -2.115 12.845 1.00 0.00 C ATOM 442 C GLU A 98 12.754 -0.667 13.177 1.00 0.00 C ATOM 443 O GLU A 98 12.097 0.021 12.396 1.00 0.00 O ATOM 444 CB GLU A 98 14.163 -2.155 11.752 1.00 0.00 C ATOM 445 CG GLU A 98 15.450 -1.515 12.276 1.00 0.00 C ATOM 446 CD GLU A 98 16.540 -1.591 11.214 1.00 0.00 C ATOM 447 OE1 GLU A 98 16.255 -2.083 10.135 1.00 0.00 O ATOM 448 OE2 GLU A 98 17.646 -1.158 11.496 1.00 0.00 O ATOM 0 H GLU A 98 11.579 -2.579 11.463 1.00 0.00 H new ATOM 0 HA GLU A 98 13.482 -2.604 13.739 1.00 0.00 H new ATOM 0 HB2 GLU A 98 14.352 -3.185 11.451 1.00 0.00 H new ATOM 0 HB3 GLU A 98 13.813 -1.623 10.867 1.00 0.00 H new ATOM 0 HG2 GLU A 98 15.265 -0.475 12.545 1.00 0.00 H new ATOM 0 HG3 GLU A 98 15.777 -2.026 13.182 1.00 0.00 H new ATOM 455 N VAL A 99 13.195 -0.216 14.344 1.00 0.00 N ATOM 456 CA VAL A 99 12.919 1.149 14.777 1.00 0.00 C ATOM 457 C VAL A 99 13.650 2.149 13.884 1.00 0.00 C ATOM 458 O VAL A 99 14.814 1.954 13.538 1.00 0.00 O ATOM 459 CB VAL A 99 13.376 1.343 16.228 1.00 0.00 C ATOM 460 CG1 VAL A 99 12.574 2.470 16.885 1.00 0.00 C ATOM 461 CG2 VAL A 99 13.164 0.041 17.014 1.00 0.00 C ATOM 0 H VAL A 99 13.741 -0.770 15.004 1.00 0.00 H new ATOM 0 HA VAL A 99 11.845 1.321 14.705 1.00 0.00 H new ATOM 0 HB VAL A 99 14.434 1.606 16.234 1.00 0.00 H new ATOM 0 HG11 VAL A 99 12.906 2.600 17.915 1.00 0.00 H new ATOM 0 HG12 VAL A 99 12.730 3.397 16.334 1.00 0.00 H new ATOM 0 HG13 VAL A 99 11.514 2.216 16.875 1.00 0.00 H new ATOM 0 HG21 VAL A 99 13.489 0.181 18.045 1.00 0.00 H new ATOM 0 HG22 VAL A 99 12.107 -0.224 17.000 1.00 0.00 H new ATOM 0 HG23 VAL A 99 13.745 -0.759 16.556 1.00 0.00 H new ATOM 471 N ASN A 100 12.961 3.221 13.528 1.00 0.00 N ATOM 472 CA ASN A 100 13.556 4.251 12.685 1.00 0.00 C ATOM 473 C ASN A 100 14.477 5.150 13.504 1.00 0.00 C ATOM 474 O ASN A 100 14.076 5.699 14.529 1.00 0.00 O ATOM 475 CB ASN A 100 12.458 5.097 12.034 1.00 0.00 C ATOM 476 CG ASN A 100 11.516 4.205 11.233 1.00 0.00 C ATOM 477 OD1 ASN A 100 10.319 4.153 11.516 1.00 0.00 O ATOM 478 ND2 ASN A 100 11.986 3.497 10.242 1.00 0.00 N ATOM 0 H ASN A 100 11.996 3.402 13.806 1.00 0.00 H new ATOM 0 HA ASN A 100 14.143 3.761 11.908 1.00 0.00 H new ATOM 0 HB2 ASN A 100 11.899 5.634 12.800 1.00 0.00 H new ATOM 0 HB3 ASN A 100 12.905 5.847 11.381 1.00 0.00 H new ATOM 0 HD21 ASN A 100 11.361 2.899 9.701 1.00 0.00 H new ATOM 0 HD22 ASN A 100 12.978 3.541 10.009 1.00 0.00 H new ATOM 485 N SER A 101 15.707 5.305 13.040 1.00 0.00 N ATOM 486 CA SER A 101 16.677 6.147 13.732 1.00 0.00 C ATOM 487 C SER A 101 16.152 7.577 13.844 1.00 0.00 C ATOM 488 O SER A 101 16.389 8.261 14.840 1.00 0.00 O ATOM 489 CB SER A 101 18.002 6.155 12.966 1.00 0.00 C ATOM 490 OG SER A 101 17.800 6.739 11.684 1.00 0.00 O ATOM 0 H SER A 101 16.059 4.862 12.191 1.00 0.00 H new ATOM 0 HA SER A 101 16.835 5.743 14.732 1.00 0.00 H new ATOM 0 HB2 SER A 101 18.753 6.718 13.521 1.00 0.00 H new ATOM 0 HB3 SER A 101 18.380 5.138 12.860 1.00 0.00 H new ATOM 0 HG SER A 101 18.647 6.747 11.191 1.00 0.00 H new ATOM 496 N GLN A 102 15.434 8.023 12.817 1.00 0.00 N ATOM 497 CA GLN A 102 14.874 9.370 12.819 1.00 0.00 C ATOM 498 C GLN A 102 13.868 9.528 13.956 1.00 0.00 C ATOM 499 O GLN A 102 13.820 10.563 14.619 1.00 0.00 O ATOM 500 CB GLN A 102 14.185 9.650 11.480 1.00 0.00 C ATOM 501 CG GLN A 102 13.689 11.100 11.446 1.00 0.00 C ATOM 502 CD GLN A 102 12.998 11.384 10.119 1.00 0.00 C ATOM 503 OE1 GLN A 102 12.884 10.495 9.275 1.00 0.00 O ATOM 504 NE2 GLN A 102 12.527 12.577 9.884 1.00 0.00 N ATOM 0 H GLN A 102 15.228 7.477 11.980 1.00 0.00 H new ATOM 0 HA GLN A 102 15.685 10.083 12.965 1.00 0.00 H new ATOM 0 HB2 GLN A 102 14.880 9.474 10.659 1.00 0.00 H new ATOM 0 HB3 GLN A 102 13.348 8.966 11.341 1.00 0.00 H new ATOM 0 HG2 GLN A 102 12.998 11.276 12.270 1.00 0.00 H new ATOM 0 HG3 GLN A 102 14.528 11.783 11.582 1.00 0.00 H new ATOM 0 HE21 GLN A 102 12.623 13.311 10.586 1.00 0.00 H new ATOM 0 HE22 GLN A 102 12.062 12.776 8.998 1.00 0.00 H new ATOM 513 N GLU A 103 13.059 8.495 14.171 1.00 0.00 N ATOM 514 CA GLU A 103 12.055 8.538 15.227 1.00 0.00 C ATOM 515 C GLU A 103 12.725 8.657 16.592 1.00 0.00 C ATOM 516 O GLU A 103 12.256 9.390 17.462 1.00 0.00 O ATOM 517 CB GLU A 103 11.191 7.271 15.182 1.00 0.00 C ATOM 518 CG GLU A 103 10.113 7.329 16.274 1.00 0.00 C ATOM 519 CD GLU A 103 9.176 8.505 16.017 1.00 0.00 C ATOM 520 OE1 GLU A 103 9.112 8.948 14.881 1.00 0.00 O ATOM 521 OE2 GLU A 103 8.543 8.949 16.960 1.00 0.00 O ATOM 0 H GLU A 103 13.078 7.628 13.635 1.00 0.00 H new ATOM 0 HA GLU A 103 11.421 9.410 15.069 1.00 0.00 H new ATOM 0 HB2 GLU A 103 10.723 7.175 14.202 1.00 0.00 H new ATOM 0 HB3 GLU A 103 11.816 6.390 15.324 1.00 0.00 H new ATOM 0 HG2 GLU A 103 9.547 6.398 16.288 1.00 0.00 H new ATOM 0 HG3 GLU A 103 10.580 7.432 17.253 1.00 0.00 H new ATOM 528 N GLU A 104 13.818 7.928 16.775 1.00 0.00 N ATOM 529 CA GLU A 104 14.533 7.960 18.046 1.00 0.00 C ATOM 530 C GLU A 104 15.096 9.351 18.308 1.00 0.00 C ATOM 531 O GLU A 104 15.058 9.846 19.434 1.00 0.00 O ATOM 532 CB GLU A 104 15.675 6.928 18.032 1.00 0.00 C ATOM 533 CG GLU A 104 15.121 5.524 18.302 1.00 0.00 C ATOM 534 CD GLU A 104 14.265 5.065 17.129 1.00 0.00 C ATOM 535 OE1 GLU A 104 13.110 5.454 17.076 1.00 0.00 O ATOM 536 OE2 GLU A 104 14.775 4.327 16.304 1.00 0.00 O ATOM 0 H GLU A 104 14.226 7.314 16.070 1.00 0.00 H new ATOM 0 HA GLU A 104 13.833 7.711 18.844 1.00 0.00 H new ATOM 0 HB2 GLU A 104 16.182 6.948 17.067 1.00 0.00 H new ATOM 0 HB3 GLU A 104 16.418 7.186 18.787 1.00 0.00 H new ATOM 0 HG2 GLU A 104 15.942 4.824 18.459 1.00 0.00 H new ATOM 0 HG3 GLU A 104 14.527 5.528 19.216 1.00 0.00 H new ATOM 543 N GLU A 105 15.625 9.973 17.266 1.00 0.00 N ATOM 544 CA GLU A 105 16.196 11.304 17.405 1.00 0.00 C ATOM 545 C GLU A 105 15.122 12.303 17.829 1.00 0.00 C ATOM 546 O GLU A 105 15.361 13.154 18.680 1.00 0.00 O ATOM 547 CB GLU A 105 16.820 11.751 16.080 1.00 0.00 C ATOM 548 CG GLU A 105 17.476 13.128 16.247 1.00 0.00 C ATOM 549 CD GLU A 105 18.614 13.038 17.259 1.00 0.00 C ATOM 550 OE1 GLU A 105 19.118 11.944 17.456 1.00 0.00 O ATOM 551 OE2 GLU A 105 18.958 14.061 17.828 1.00 0.00 O ATOM 0 H GLU A 105 15.671 9.583 16.325 1.00 0.00 H new ATOM 0 HA GLU A 105 16.969 11.269 18.172 1.00 0.00 H new ATOM 0 HB2 GLU A 105 17.562 11.022 15.754 1.00 0.00 H new ATOM 0 HB3 GLU A 105 16.055 11.795 15.305 1.00 0.00 H new ATOM 0 HG2 GLU A 105 17.857 13.478 15.288 1.00 0.00 H new ATOM 0 HG3 GLU A 105 16.736 13.855 16.581 1.00 0.00 H new ATOM 558 N GLU A 106 13.944 12.197 17.228 1.00 0.00 N ATOM 559 CA GLU A 106 12.855 13.112 17.552 1.00 0.00 C ATOM 560 C GLU A 106 12.479 12.987 19.025 1.00 0.00 C ATOM 561 O GLU A 106 12.211 13.984 19.696 1.00 0.00 O ATOM 562 CB GLU A 106 11.637 12.800 16.679 1.00 0.00 C ATOM 563 CG GLU A 106 11.914 13.230 15.235 1.00 0.00 C ATOM 564 CD GLU A 106 10.811 12.713 14.314 1.00 0.00 C ATOM 565 OE1 GLU A 106 10.130 11.779 14.705 1.00 0.00 O ATOM 566 OE2 GLU A 106 10.663 13.262 13.235 1.00 0.00 O ATOM 0 H GLU A 106 13.719 11.496 16.522 1.00 0.00 H new ATOM 0 HA GLU A 106 13.186 14.132 17.358 1.00 0.00 H new ATOM 0 HB2 GLU A 106 11.415 11.733 16.715 1.00 0.00 H new ATOM 0 HB3 GLU A 106 10.760 13.321 17.062 1.00 0.00 H new ATOM 0 HG2 GLU A 106 11.969 14.317 15.175 1.00 0.00 H new ATOM 0 HG3 GLU A 106 12.880 12.843 14.911 1.00 0.00 H new ATOM 573 N GLU A 107 12.473 11.758 19.524 1.00 0.00 N ATOM 574 CA GLU A 107 12.140 11.513 20.923 1.00 0.00 C ATOM 575 C GLU A 107 13.155 12.182 21.844 1.00 0.00 C ATOM 576 O GLU A 107 12.797 12.726 22.885 1.00 0.00 O ATOM 577 CB GLU A 107 12.115 10.010 21.200 1.00 0.00 C ATOM 578 CG GLU A 107 10.914 9.380 20.495 1.00 0.00 C ATOM 579 CD GLU A 107 10.933 7.868 20.686 1.00 0.00 C ATOM 580 OE1 GLU A 107 11.938 7.363 21.160 1.00 0.00 O ATOM 581 OE2 GLU A 107 9.942 7.236 20.359 1.00 0.00 O ATOM 0 H GLU A 107 12.693 10.920 18.986 1.00 0.00 H new ATOM 0 HA GLU A 107 11.155 11.936 21.118 1.00 0.00 H new ATOM 0 HB2 GLU A 107 13.039 9.550 20.849 1.00 0.00 H new ATOM 0 HB3 GLU A 107 12.056 9.828 22.273 1.00 0.00 H new ATOM 0 HG2 GLU A 107 9.988 9.794 20.895 1.00 0.00 H new ATOM 0 HG3 GLU A 107 10.938 9.621 19.432 1.00 0.00 H new ATOM 588 N GLU A 108 14.424 12.136 21.452 1.00 0.00 N ATOM 589 CA GLU A 108 15.480 12.736 22.260 1.00 0.00 C ATOM 590 C GLU A 108 15.255 14.237 22.394 1.00 0.00 C ATOM 591 O GLU A 108 15.449 14.812 23.465 1.00 0.00 O ATOM 592 CB GLU A 108 16.840 12.479 21.605 1.00 0.00 C ATOM 593 CG GLU A 108 17.180 10.990 21.692 1.00 0.00 C ATOM 594 CD GLU A 108 17.497 10.612 23.134 1.00 0.00 C ATOM 595 OE1 GLU A 108 17.670 11.514 23.938 1.00 0.00 O ATOM 596 OE2 GLU A 108 17.567 9.427 23.413 1.00 0.00 O ATOM 0 H GLU A 108 14.744 11.695 20.590 1.00 0.00 H new ATOM 0 HA GLU A 108 15.462 12.285 23.252 1.00 0.00 H new ATOM 0 HB2 GLU A 108 16.818 12.797 20.563 1.00 0.00 H new ATOM 0 HB3 GLU A 108 17.611 13.068 22.102 1.00 0.00 H new ATOM 0 HG2 GLU A 108 16.343 10.395 21.327 1.00 0.00 H new ATOM 0 HG3 GLU A 108 18.033 10.765 21.052 1.00 0.00 H new ATOM 603 N LEU A 109 14.838 14.866 21.305 1.00 0.00 N ATOM 604 CA LEU A 109 14.581 16.303 21.318 1.00 0.00 C ATOM 605 C LEU A 109 13.372 16.633 22.187 1.00 0.00 C ATOM 606 O LEU A 109 13.370 17.635 22.901 1.00 0.00 O ATOM 607 CB LEU A 109 14.356 16.807 19.876 1.00 0.00 C ATOM 608 CG LEU A 109 15.685 17.250 19.258 1.00 0.00 C ATOM 609 CD1 LEU A 109 16.640 16.061 19.168 1.00 0.00 C ATOM 610 CD2 LEU A 109 15.428 17.805 17.857 1.00 0.00 C ATOM 0 H LEU A 109 14.671 14.411 20.407 1.00 0.00 H new ATOM 0 HA LEU A 109 15.450 16.806 21.743 1.00 0.00 H new ATOM 0 HB2 LEU A 109 13.911 16.016 19.272 1.00 0.00 H new ATOM 0 HB3 LEU A 109 13.653 17.640 19.879 1.00 0.00 H new ATOM 0 HG LEU A 109 16.135 18.021 19.884 1.00 0.00 H new ATOM 0 HD11 LEU A 109 17.583 16.384 18.727 1.00 0.00 H new ATOM 0 HD12 LEU A 109 16.823 15.665 20.167 1.00 0.00 H new ATOM 0 HD13 LEU A 109 16.196 15.284 18.545 1.00 0.00 H new ATOM 0 HD21 LEU A 109 16.371 18.122 17.412 1.00 0.00 H new ATOM 0 HD22 LEU A 109 14.976 17.031 17.236 1.00 0.00 H new ATOM 0 HD23 LEU A 109 14.753 18.658 17.922 1.00 0.00 H new ATOM 622 N LEU A 110 12.344 15.799 22.115 1.00 0.00 N ATOM 623 CA LEU A 110 11.138 16.040 22.896 1.00 0.00 C ATOM 624 C LEU A 110 11.443 16.008 24.384 1.00 0.00 C ATOM 625 O LEU A 110 10.953 16.843 25.144 1.00 0.00 O ATOM 626 CB LEU A 110 10.082 14.982 22.561 1.00 0.00 C ATOM 627 CG LEU A 110 9.531 15.227 21.146 1.00 0.00 C ATOM 628 CD1 LEU A 110 8.653 14.042 20.729 1.00 0.00 C ATOM 629 CD2 LEU A 110 8.695 16.530 21.113 1.00 0.00 C ATOM 0 H LEU A 110 12.319 14.962 21.533 1.00 0.00 H new ATOM 0 HA LEU A 110 10.756 17.029 22.643 1.00 0.00 H new ATOM 0 HB2 LEU A 110 10.519 13.986 22.624 1.00 0.00 H new ATOM 0 HB3 LEU A 110 9.271 15.021 23.289 1.00 0.00 H new ATOM 0 HG LEU A 110 10.366 15.328 20.453 1.00 0.00 H new ATOM 0 HD11 LEU A 110 8.262 14.214 19.726 1.00 0.00 H new ATOM 0 HD12 LEU A 110 9.248 13.129 20.734 1.00 0.00 H new ATOM 0 HD13 LEU A 110 7.824 13.939 21.429 1.00 0.00 H new ATOM 0 HD21 LEU A 110 8.311 16.691 20.105 1.00 0.00 H new ATOM 0 HD22 LEU A 110 7.861 16.445 21.810 1.00 0.00 H new ATOM 0 HD23 LEU A 110 9.323 17.373 21.401 1.00 0.00 H new ATOM 641 N ARG A 111 12.262 15.055 24.793 1.00 0.00 N ATOM 642 CA ARG A 111 12.631 14.940 26.196 1.00 0.00 C ATOM 643 C ARG A 111 13.496 16.119 26.620 1.00 0.00 C ATOM 644 O ARG A 111 13.366 16.623 27.734 1.00 0.00 O ATOM 645 CB ARG A 111 13.381 13.608 26.433 1.00 0.00 C ATOM 646 CG ARG A 111 12.397 12.513 26.861 1.00 0.00 C ATOM 647 CD ARG A 111 11.476 12.167 25.694 1.00 0.00 C ATOM 648 NE ARG A 111 10.508 11.162 26.104 1.00 0.00 N ATOM 649 CZ ARG A 111 9.571 10.726 25.270 1.00 0.00 C ATOM 650 NH1 ARG A 111 9.506 11.198 24.054 1.00 0.00 N ATOM 651 NH2 ARG A 111 8.714 9.828 25.667 1.00 0.00 N ATOM 0 H ARG A 111 12.682 14.355 24.181 1.00 0.00 H new ATOM 0 HA ARG A 111 11.724 14.949 26.800 1.00 0.00 H new ATOM 0 HB2 ARG A 111 13.898 13.306 25.522 1.00 0.00 H new ATOM 0 HB3 ARG A 111 14.142 13.743 27.201 1.00 0.00 H new ATOM 0 HG2 ARG A 111 12.942 11.626 27.182 1.00 0.00 H new ATOM 0 HG3 ARG A 111 11.809 12.852 27.714 1.00 0.00 H new ATOM 0 HD2 ARG A 111 10.959 13.063 25.350 1.00 0.00 H new ATOM 0 HD3 ARG A 111 12.064 11.796 24.854 1.00 0.00 H new ATOM 0 HE ARG A 111 10.550 10.785 27.051 1.00 0.00 H new ATOM 0 HH11 ARG A 111 10.175 11.902 23.744 1.00 0.00 H new ATOM 0 HH12 ARG A 111 8.786 10.862 23.414 1.00 0.00 H new ATOM 0 HH21 ARG A 111 8.763 9.461 26.617 1.00 0.00 H new ATOM 0 HH22 ARG A 111 7.994 9.492 25.027 1.00 0.00 H new ATOM 665 N LYS A 112 14.382 16.543 25.734 1.00 0.00 N ATOM 666 CA LYS A 112 15.267 17.655 26.040 1.00 0.00 C ATOM 667 C LYS A 112 14.467 18.923 26.299 1.00 0.00 C ATOM 668 O LYS A 112 14.766 19.677 27.224 1.00 0.00 O ATOM 669 CB LYS A 112 16.225 17.878 24.867 1.00 0.00 C ATOM 670 CG LYS A 112 17.280 16.753 24.832 1.00 0.00 C ATOM 671 CD LYS A 112 18.470 17.114 25.747 1.00 0.00 C ATOM 672 CE LYS A 112 19.483 17.957 24.967 1.00 0.00 C ATOM 673 NZ LYS A 112 20.574 18.388 25.878 1.00 0.00 N ATOM 0 H LYS A 112 14.507 16.139 24.806 1.00 0.00 H new ATOM 0 HA LYS A 112 15.834 17.416 26.939 1.00 0.00 H new ATOM 0 HB2 LYS A 112 15.669 17.896 23.930 1.00 0.00 H new ATOM 0 HB3 LYS A 112 16.716 18.846 24.966 1.00 0.00 H new ATOM 0 HG2 LYS A 112 16.833 15.814 25.157 1.00 0.00 H new ATOM 0 HG3 LYS A 112 17.629 16.603 23.810 1.00 0.00 H new ATOM 0 HD2 LYS A 112 18.117 17.666 26.618 1.00 0.00 H new ATOM 0 HD3 LYS A 112 18.946 16.206 26.116 1.00 0.00 H new ATOM 0 HE2 LYS A 112 19.893 17.378 24.139 1.00 0.00 H new ATOM 0 HE3 LYS A 112 18.991 18.828 24.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 21.262 18.961 25.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 20.175 18.955 26.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 21.050 17.551 26.271 1.00 0.00 H new ATOM 687 N ALA A 113 13.448 19.152 25.479 1.00 0.00 N ATOM 688 CA ALA A 113 12.612 20.335 25.634 1.00 0.00 C ATOM 689 C ALA A 113 11.881 20.307 26.972 1.00 0.00 C ATOM 690 O ALA A 113 11.775 21.325 27.655 1.00 0.00 O ATOM 691 CB ALA A 113 11.597 20.412 24.492 1.00 0.00 C ATOM 0 H ALA A 113 13.183 18.540 24.707 1.00 0.00 H new ATOM 0 HA ALA A 113 13.254 21.215 25.606 1.00 0.00 H new ATOM 0 HB1 ALA A 113 10.976 21.299 24.616 1.00 0.00 H new ATOM 0 HB2 ALA A 113 12.124 20.468 23.540 1.00 0.00 H new ATOM 0 HB3 ALA A 113 10.966 19.523 24.505 1.00 0.00 H new ATOM 697 N ILE A 114 11.375 19.133 27.343 1.00 0.00 N ATOM 698 CA ILE A 114 10.652 18.989 28.602 1.00 0.00 C ATOM 699 C ILE A 114 11.576 19.266 29.786 1.00 0.00 C ATOM 700 O ILE A 114 11.210 19.984 30.718 1.00 0.00 O ATOM 701 CB ILE A 114 10.078 17.572 28.717 1.00 0.00 C ATOM 702 CG1 ILE A 114 8.989 17.381 27.658 1.00 0.00 C ATOM 703 CG2 ILE A 114 9.471 17.374 30.110 1.00 0.00 C ATOM 704 CD1 ILE A 114 8.593 15.904 27.591 1.00 0.00 C ATOM 0 H ILE A 114 11.451 18.276 26.795 1.00 0.00 H new ATOM 0 HA ILE A 114 9.837 19.712 28.616 1.00 0.00 H new ATOM 0 HB ILE A 114 10.874 16.844 28.562 1.00 0.00 H new ATOM 0 HG12 ILE A 114 8.119 17.991 27.902 1.00 0.00 H new ATOM 0 HG13 ILE A 114 9.350 17.716 26.686 1.00 0.00 H new ATOM 0 HG21 ILE A 114 9.064 16.366 30.189 1.00 0.00 H new ATOM 0 HG22 ILE A 114 10.243 17.514 30.867 1.00 0.00 H new ATOM 0 HG23 ILE A 114 8.674 18.101 30.266 1.00 0.00 H new ATOM 0 HD11 ILE A 114 7.818 15.769 26.837 1.00 0.00 H new ATOM 0 HD12 ILE A 114 9.465 15.305 27.327 1.00 0.00 H new ATOM 0 HD13 ILE A 114 8.214 15.584 28.562 1.00 0.00 H new ATOM 716 N ALA A 115 12.772 18.688 29.745 1.00 0.00 N ATOM 717 CA ALA A 115 13.736 18.873 30.822 1.00 0.00 C ATOM 718 C ALA A 115 14.111 20.345 30.960 1.00 0.00 C ATOM 719 O ALA A 115 14.236 20.863 32.069 1.00 0.00 O ATOM 720 CB ALA A 115 14.996 18.049 30.541 1.00 0.00 C ATOM 0 H ALA A 115 13.095 18.092 28.983 1.00 0.00 H new ATOM 0 HA ALA A 115 13.280 18.537 31.753 1.00 0.00 H new ATOM 0 HB1 ALA A 115 15.712 18.192 31.350 1.00 0.00 H new ATOM 0 HB2 ALA A 115 14.733 16.994 30.472 1.00 0.00 H new ATOM 0 HB3 ALA A 115 15.441 18.374 29.601 1.00 0.00 H new ATOM 726 N GLU A 116 14.287 21.015 29.827 1.00 0.00 N ATOM 727 CA GLU A 116 14.647 22.427 29.841 1.00 0.00 C ATOM 728 C GLU A 116 13.529 23.258 30.468 1.00 0.00 C ATOM 729 O GLU A 116 13.785 24.177 31.244 1.00 0.00 O ATOM 730 CB GLU A 116 14.912 22.914 28.411 1.00 0.00 C ATOM 731 CG GLU A 116 15.345 24.387 28.427 1.00 0.00 C ATOM 732 CD GLU A 116 16.667 24.529 29.173 1.00 0.00 C ATOM 733 OE1 GLU A 116 17.369 23.537 29.286 1.00 0.00 O ATOM 734 OE2 GLU A 116 16.956 25.624 29.624 1.00 0.00 O ATOM 0 H GLU A 116 14.188 20.609 28.897 1.00 0.00 H new ATOM 0 HA GLU A 116 15.551 22.548 30.437 1.00 0.00 H new ATOM 0 HB2 GLU A 116 15.688 22.304 27.949 1.00 0.00 H new ATOM 0 HB3 GLU A 116 14.013 22.798 27.806 1.00 0.00 H new ATOM 0 HG2 GLU A 116 15.451 24.755 27.407 1.00 0.00 H new ATOM 0 HG3 GLU A 116 14.579 24.996 28.907 1.00 0.00 H new ATOM 741 N SER A 117 12.289 22.933 30.120 1.00 0.00 N ATOM 742 CA SER A 117 11.145 23.662 30.652 1.00 0.00 C ATOM 743 C SER A 117 11.066 23.505 32.168 1.00 0.00 C ATOM 744 O SER A 117 10.762 24.457 32.886 1.00 0.00 O ATOM 745 CB SER A 117 9.857 23.147 30.011 1.00 0.00 C ATOM 746 OG SER A 117 9.856 23.478 28.627 1.00 0.00 O ATOM 0 H SER A 117 12.052 22.177 29.478 1.00 0.00 H new ATOM 0 HA SER A 117 11.268 24.719 30.417 1.00 0.00 H new ATOM 0 HB2 SER A 117 9.780 22.067 30.139 1.00 0.00 H new ATOM 0 HB3 SER A 117 8.990 23.589 30.503 1.00 0.00 H new ATOM 0 HG SER A 117 10.421 22.843 28.138 1.00 0.00 H new ATOM 752 N LEU A 118 11.339 22.296 32.646 1.00 0.00 N ATOM 753 CA LEU A 118 11.295 22.023 34.079 1.00 0.00 C ATOM 754 C LEU A 118 12.377 22.807 34.810 1.00 0.00 C ATOM 755 O LEU A 118 12.162 23.286 35.922 1.00 0.00 O ATOM 756 CB LEU A 118 11.490 20.526 34.329 1.00 0.00 C ATOM 757 CG LEU A 118 10.268 19.750 33.812 1.00 0.00 C ATOM 758 CD1 LEU A 118 10.571 18.246 33.833 1.00 0.00 C ATOM 759 CD2 LEU A 118 9.030 20.042 34.692 1.00 0.00 C ATOM 0 H LEU A 118 11.591 21.494 32.068 1.00 0.00 H new ATOM 0 HA LEU A 118 10.321 22.333 34.459 1.00 0.00 H new ATOM 0 HB2 LEU A 118 12.393 20.178 33.827 1.00 0.00 H new ATOM 0 HB3 LEU A 118 11.627 20.340 35.394 1.00 0.00 H new ATOM 0 HG LEU A 118 10.055 20.068 32.792 1.00 0.00 H new ATOM 0 HD11 LEU A 118 9.705 17.695 33.466 1.00 0.00 H new ATOM 0 HD12 LEU A 118 11.430 18.039 33.194 1.00 0.00 H new ATOM 0 HD13 LEU A 118 10.794 17.934 34.853 1.00 0.00 H new ATOM 0 HD21 LEU A 118 8.174 19.485 34.312 1.00 0.00 H new ATOM 0 HD22 LEU A 118 9.234 19.738 35.719 1.00 0.00 H new ATOM 0 HD23 LEU A 118 8.809 21.109 34.666 1.00 0.00 H new ATOM 771 N ASN A 119 13.538 22.934 34.178 1.00 0.00 N ATOM 772 CA ASN A 119 14.648 23.665 34.782 1.00 0.00 C ATOM 773 C ASN A 119 14.468 25.167 34.589 1.00 0.00 C ATOM 774 O ASN A 119 15.150 25.969 35.227 1.00 0.00 O ATOM 775 CB ASN A 119 15.967 23.222 34.147 1.00 0.00 C ATOM 776 CG ASN A 119 16.220 21.747 34.438 1.00 0.00 C ATOM 777 OD1 ASN A 119 16.306 20.937 33.514 1.00 0.00 O ATOM 778 ND2 ASN A 119 16.350 21.348 35.673 1.00 0.00 N ATOM 0 H ASN A 119 13.735 22.545 33.256 1.00 0.00 H new ATOM 0 HA ASN A 119 14.666 23.448 35.850 1.00 0.00 H new ATOM 0 HB2 ASN A 119 15.935 23.388 33.070 1.00 0.00 H new ATOM 0 HB3 ASN A 119 16.788 23.824 34.538 1.00 0.00 H new ATOM 0 HD21 ASN A 119 16.523 20.363 35.875 1.00 0.00 H new ATOM 0 HD22 ASN A 119 16.278 22.021 36.436 1.00 0.00 H new ATOM 785 N SER A 120 13.544 25.539 33.709 1.00 0.00 N ATOM 786 CA SER A 120 13.278 26.950 33.445 1.00 0.00 C ATOM 787 C SER A 120 12.447 27.555 34.568 1.00 0.00 C ATOM 788 O SER A 120 11.664 26.860 35.212 1.00 0.00 O ATOM 789 CB SER A 120 12.542 27.109 32.116 1.00 0.00 C ATOM 790 OG SER A 120 13.399 26.712 31.054 1.00 0.00 O ATOM 0 H SER A 120 12.971 24.890 33.170 1.00 0.00 H new ATOM 0 HA SER A 120 14.232 27.475 33.390 1.00 0.00 H new ATOM 0 HB2 SER A 120 11.636 26.502 32.114 1.00 0.00 H new ATOM 0 HB3 SER A 120 12.232 28.145 31.981 1.00 0.00 H new ATOM 0 HG SER A 120 13.815 25.852 31.274 1.00 0.00 H new ATOM 796 N CYS A 121 12.619 28.856 34.796 1.00 0.00 N ATOM 797 CA CYS A 121 11.876 29.553 35.850 1.00 0.00 C ATOM 798 C CYS A 121 10.812 30.454 35.244 1.00 0.00 C ATOM 799 O CYS A 121 11.000 31.017 34.162 1.00 0.00 O ATOM 800 CB CYS A 121 12.834 30.394 36.693 1.00 0.00 C ATOM 801 SG CYS A 121 14.075 29.314 37.449 1.00 0.00 S ATOM 0 H CYS A 121 13.262 29.448 34.270 1.00 0.00 H new ATOM 0 HA CYS A 121 11.392 28.808 36.482 1.00 0.00 H new ATOM 0 HB2 CYS A 121 13.320 31.145 36.071 1.00 0.00 H new ATOM 0 HB3 CYS A 121 12.282 30.929 37.466 1.00 0.00 H new ATOM 0 HG CYS A 121 14.893 30.027 38.165 1.00 0.00 H new ATOM 807 N ARG A 122 9.688 30.577 35.941 1.00 0.00 N ATOM 808 CA ARG A 122 8.597 31.401 35.454 1.00 0.00 C ATOM 809 C ARG A 122 8.980 32.883 35.501 1.00 0.00 C ATOM 810 O ARG A 122 9.748 33.303 36.366 1.00 0.00 O ATOM 811 CB ARG A 122 7.345 31.167 36.308 1.00 0.00 C ATOM 812 CG ARG A 122 7.659 31.460 37.773 1.00 0.00 C ATOM 813 CD ARG A 122 6.394 31.279 38.611 1.00 0.00 C ATOM 814 NE ARG A 122 6.674 31.569 40.011 1.00 0.00 N ATOM 815 CZ ARG A 122 7.219 30.655 40.806 1.00 0.00 C ATOM 816 NH1 ARG A 122 7.512 29.473 40.335 1.00 0.00 N ATOM 817 NH2 ARG A 122 7.464 30.939 42.056 1.00 0.00 N ATOM 0 H ARG A 122 9.513 30.120 36.836 1.00 0.00 H new ATOM 0 HA ARG A 122 8.389 31.124 34.420 1.00 0.00 H new ATOM 0 HB2 ARG A 122 6.534 31.809 35.965 1.00 0.00 H new ATOM 0 HB3 ARG A 122 7.005 30.137 36.198 1.00 0.00 H new ATOM 0 HG2 ARG A 122 8.443 30.791 38.129 1.00 0.00 H new ATOM 0 HG3 ARG A 122 8.036 32.477 37.879 1.00 0.00 H new ATOM 0 HD2 ARG A 122 5.608 31.940 38.245 1.00 0.00 H new ATOM 0 HD3 ARG A 122 6.025 30.258 38.510 1.00 0.00 H new ATOM 0 HE ARG A 122 6.448 32.490 40.387 1.00 0.00 H new ATOM 0 HH11 ARG A 122 7.322 29.252 39.357 1.00 0.00 H new ATOM 0 HH12 ARG A 122 7.931 28.770 40.945 1.00 0.00 H new ATOM 0 HH21 ARG A 122 7.237 31.863 42.423 1.00 0.00 H new ATOM 0 HH22 ARG A 122 7.882 30.237 42.666 1.00 0.00 H new ATOM 831 N PRO A 123 8.452 33.680 34.605 1.00 0.00 N ATOM 832 CA PRO A 123 8.740 35.146 34.565 1.00 0.00 C ATOM 833 C PRO A 123 8.118 35.884 35.750 1.00 0.00 C ATOM 834 O PRO A 123 7.076 35.482 36.269 1.00 0.00 O ATOM 835 CB PRO A 123 8.117 35.600 33.232 1.00 0.00 C ATOM 836 CG PRO A 123 7.038 34.601 32.953 1.00 0.00 C ATOM 837 CD PRO A 123 7.533 33.279 33.521 1.00 0.00 C ATOM 0 HA PRO A 123 9.806 35.362 34.632 1.00 0.00 H new ATOM 0 HB2 PRO A 123 7.712 36.609 33.308 1.00 0.00 H new ATOM 0 HB3 PRO A 123 8.859 35.614 32.433 1.00 0.00 H new ATOM 0 HG2 PRO A 123 6.100 34.899 33.420 1.00 0.00 H new ATOM 0 HG3 PRO A 123 6.849 34.519 31.883 1.00 0.00 H new ATOM 0 HD2 PRO A 123 6.709 32.673 33.899 1.00 0.00 H new ATOM 0 HD3 PRO A 123 8.044 32.685 32.763 1.00 0.00 H new ATOM 845 N SER A 124 8.766 36.964 36.170 1.00 0.00 N ATOM 846 CA SER A 124 8.270 37.752 37.290 1.00 0.00 C ATOM 847 C SER A 124 6.955 38.432 36.920 1.00 0.00 C ATOM 848 O SER A 124 6.742 38.815 35.769 1.00 0.00 O ATOM 849 CB SER A 124 9.301 38.811 37.679 1.00 0.00 C ATOM 850 OG SER A 124 10.500 38.167 38.091 1.00 0.00 O ATOM 0 H SER A 124 9.630 37.312 35.755 1.00 0.00 H new ATOM 0 HA SER A 124 8.099 37.085 38.135 1.00 0.00 H new ATOM 0 HB2 SER A 124 9.500 39.470 36.834 1.00 0.00 H new ATOM 0 HB3 SER A 124 8.913 39.434 38.485 1.00 0.00 H new ATOM 0 HG SER A 124 11.165 38.842 38.340 1.00 0.00 H new ATOM 856 N ASP A 125 6.073 38.580 37.904 1.00 0.00 N ATOM 857 CA ASP A 125 4.780 39.214 37.670 1.00 0.00 C ATOM 858 C ASP A 125 4.933 40.732 37.607 1.00 0.00 C ATOM 859 O ASP A 125 5.381 41.361 38.565 1.00 0.00 O ATOM 860 CB ASP A 125 3.809 38.841 38.790 1.00 0.00 C ATOM 861 CG ASP A 125 2.428 39.404 38.489 1.00 0.00 C ATOM 862 OD1 ASP A 125 1.837 38.986 37.507 1.00 0.00 O ATOM 863 OD2 ASP A 125 1.981 40.245 39.246 1.00 0.00 O ATOM 0 H ASP A 125 6.228 38.272 38.864 1.00 0.00 H new ATOM 0 HA ASP A 125 4.387 38.861 36.717 1.00 0.00 H new ATOM 0 HB2 ASP A 125 3.755 37.757 38.890 1.00 0.00 H new ATOM 0 HB3 ASP A 125 4.171 39.231 39.741 1.00 0.00 H new ATOM 868 N ALA A 126 4.566 41.311 36.468 1.00 0.00 N ATOM 869 CA ALA A 126 4.670 42.755 36.288 1.00 0.00 C ATOM 870 C ALA A 126 3.767 43.494 37.270 1.00 0.00 C ATOM 871 O ALA A 126 4.127 44.554 37.783 1.00 0.00 O ATOM 872 CB ALA A 126 4.279 43.130 34.858 1.00 0.00 C ATOM 0 H ALA A 126 4.197 40.807 35.662 1.00 0.00 H new ATOM 0 HA ALA A 126 5.703 43.047 36.477 1.00 0.00 H new ATOM 0 HB1 ALA A 126 4.359 44.210 34.730 1.00 0.00 H new ATOM 0 HB2 ALA A 126 4.947 42.631 34.156 1.00 0.00 H new ATOM 0 HB3 ALA A 126 3.252 42.817 34.668 1.00 0.00 H new ATOM 878 N SER A 127 2.590 42.930 37.523 1.00 0.00 N ATOM 879 CA SER A 127 1.641 43.550 38.441 1.00 0.00 C ATOM 880 C SER A 127 2.049 43.303 39.888 1.00 0.00 C ATOM 881 O SER A 127 1.567 43.976 40.798 1.00 0.00 O ATOM 882 CB SER A 127 0.240 42.984 38.203 1.00 0.00 C ATOM 883 OG SER A 127 0.196 41.632 38.634 1.00 0.00 O ATOM 0 H SER A 127 2.273 42.053 37.110 1.00 0.00 H new ATOM 0 HA SER A 127 1.638 44.624 38.256 1.00 0.00 H new ATOM 0 HB2 SER A 127 -0.499 43.574 38.745 1.00 0.00 H new ATOM 0 HB3 SER A 127 -0.015 43.048 37.145 1.00 0.00 H new ATOM 0 HG SER A 127 1.104 41.264 38.650 1.00 0.00 H new ATOM 889 N ALA A 128 2.942 42.340 40.091 1.00 0.00 N ATOM 890 CA ALA A 128 3.415 42.016 41.435 1.00 0.00 C ATOM 891 C ALA A 128 2.373 41.189 42.188 1.00 0.00 C ATOM 892 O ALA A 128 2.522 40.919 43.379 1.00 0.00 O ATOM 893 CB ALA A 128 3.720 43.309 42.214 1.00 0.00 C ATOM 0 H ALA A 128 3.351 41.773 39.349 1.00 0.00 H new ATOM 0 HA ALA A 128 4.328 41.427 41.346 1.00 0.00 H new ATOM 0 HB1 ALA A 128 4.072 43.057 43.214 1.00 0.00 H new ATOM 0 HB2 ALA A 128 4.490 43.876 41.691 1.00 0.00 H new ATOM 0 HB3 ALA A 128 2.814 43.911 42.289 1.00 0.00 H new ATOM 899 N THR A 129 1.318 40.796 41.485 1.00 0.00 N ATOM 900 CA THR A 129 0.257 40.008 42.097 1.00 0.00 C ATOM 901 C THR A 129 0.775 38.632 42.502 1.00 0.00 C ATOM 902 O THR A 129 1.436 37.953 41.717 1.00 0.00 O ATOM 903 CB THR A 129 -0.909 39.851 41.120 1.00 0.00 C ATOM 904 OG1 THR A 129 -1.407 41.135 40.768 1.00 0.00 O ATOM 905 CG2 THR A 129 -2.021 39.035 41.778 1.00 0.00 C ATOM 0 H THR A 129 1.175 41.008 40.498 1.00 0.00 H new ATOM 0 HA THR A 129 -0.087 40.530 42.990 1.00 0.00 H new ATOM 0 HB THR A 129 -0.565 39.336 40.223 1.00 0.00 H new ATOM 0 HG1 THR A 129 -0.940 41.459 39.970 1.00 0.00 H new ATOM 0 HG21 THR A 129 -2.852 38.924 41.081 1.00 0.00 H new ATOM 0 HG22 THR A 129 -1.639 38.050 42.048 1.00 0.00 H new ATOM 0 HG23 THR A 129 -2.367 39.548 42.675 1.00 0.00 H new ATOM 913 N ARG A 130 0.471 38.227 43.730 1.00 0.00 N ATOM 914 CA ARG A 130 0.911 36.929 44.228 1.00 0.00 C ATOM 915 C ARG A 130 0.153 35.802 43.533 1.00 0.00 C ATOM 916 O ARG A 130 -1.002 35.966 43.143 1.00 0.00 O ATOM 917 CB ARG A 130 0.686 36.845 45.740 1.00 0.00 C ATOM 918 CG ARG A 130 -0.804 37.019 46.048 1.00 0.00 C ATOM 919 CD ARG A 130 -1.020 37.011 47.562 1.00 0.00 C ATOM 920 NE ARG A 130 -0.391 38.180 48.168 1.00 0.00 N ATOM 921 CZ ARG A 130 -0.339 38.324 49.489 1.00 0.00 C ATOM 922 NH1 ARG A 130 -0.862 37.416 50.266 1.00 0.00 N ATOM 923 NH2 ARG A 130 0.234 39.375 50.007 1.00 0.00 N ATOM 0 H ARG A 130 -0.075 38.775 44.395 1.00 0.00 H new ATOM 0 HA ARG A 130 1.974 36.820 44.014 1.00 0.00 H new ATOM 0 HB2 ARG A 130 1.036 35.884 46.117 1.00 0.00 H new ATOM 0 HB3 ARG A 130 1.265 37.616 46.247 1.00 0.00 H new ATOM 0 HG2 ARG A 130 -1.166 37.955 45.624 1.00 0.00 H new ATOM 0 HG3 ARG A 130 -1.378 36.216 45.585 1.00 0.00 H new ATOM 0 HD2 ARG A 130 -2.087 37.007 47.784 1.00 0.00 H new ATOM 0 HD3 ARG A 130 -0.602 36.101 47.991 1.00 0.00 H new ATOM 0 HE ARG A 130 0.015 38.898 47.569 1.00 0.00 H new ATOM 0 HH11 ARG A 130 -1.311 36.595 49.860 1.00 0.00 H new ATOM 0 HH12 ARG A 130 -0.822 37.527 51.279 1.00 0.00 H new ATOM 0 HH21 ARG A 130 0.642 40.085 49.399 1.00 0.00 H new ATOM 0 HH22 ARG A 130 0.274 39.487 51.020 1.00 0.00 H new ATOM 937 N SER A 131 0.811 34.658 43.382 1.00 0.00 N ATOM 938 CA SER A 131 0.188 33.510 42.732 1.00 0.00 C ATOM 939 C SER A 131 -0.312 33.891 41.342 1.00 0.00 C ATOM 940 O SER A 131 -0.968 33.069 40.724 1.00 0.00 O ATOM 941 CB SER A 131 -0.982 33.004 43.576 1.00 0.00 C ATOM 942 OG SER A 131 -0.538 32.775 44.907 1.00 0.00 O ATOM 943 OXT SER A 131 -0.032 34.999 40.917 1.00 0.00 O ATOM 0 H SER A 131 1.768 34.501 43.698 1.00 0.00 H new ATOM 0 HA SER A 131 0.933 32.720 42.635 1.00 0.00 H new ATOM 0 HB2 SER A 131 -1.791 33.734 43.571 1.00 0.00 H new ATOM 0 HB3 SER A 131 -1.381 32.083 43.150 1.00 0.00 H new ATOM 0 HG SER A 131 -1.287 32.452 45.451 1.00 0.00 H new TER 949 SER A 131