USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 665 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 NoAdj-H: A 39 HIS HD1 : A 39 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD Set 1.1: A 40 THR OG1 : rot 140:sc= -2.93! USER MOD Set 1.2: A 77 ASN : amide:sc= -7.51! C(o=-10!,f=-8.2!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 27:sc= 0.765 USER MOD Single : A 3 SER OG : rot 18:sc= 0.113 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc=-0.00308 K(o=-0.0031,f=-0.85) USER MOD Single : A 22 MET CE :methyl -176:sc= 0 (180deg=-0.0333) USER MOD Single : A 24 SER OG : rot 45:sc= 0.639 USER MOD Single : A 26 THR OG1 : rot 11:sc= 0.945 USER MOD Single : A 29 GLN : amide:sc= -0.717 K(o=-0.72,f=-1.5!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 HIS : no HE2:sc= -3.16! K(o=-3.2!,f=-1.9) USER MOD Single : A 44 GLN : amide:sc= -1.98 K(o=-2,f=-0.64) USER MOD Single : A 48 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.157) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 88:sc= 0.708 USER MOD Single : A 55 ASN : amide:sc= -0.154 X(o=-0.15,f=-0.037) USER MOD Single : A 63 SER OG : rot -63:sc= 0.646 USER MOD Single : A 64 LYS NZ :NH3+ -118:sc= -0.245 (180deg=-2!) USER MOD Single : A 66 THR OG1 : rot 120:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= -0.0968 X(o=-0.097,f=-0.17) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ -158:sc= -0.122 (180deg=-0.563) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -30.835 -5.363 26.105 1.00 0.00 N ATOM 2 CA GLY A 1 -31.226 -6.671 25.612 1.00 0.00 C ATOM 3 C GLY A 1 -31.362 -6.706 24.103 1.00 0.00 C ATOM 4 O GLY A 1 -32.427 -6.410 23.562 1.00 0.00 O ATOM 0 H1 GLY A 1 -30.756 -5.392 27.142 1.00 0.00 H new ATOM 0 H2 GLY A 1 -29.917 -5.098 25.695 1.00 0.00 H new ATOM 0 H3 GLY A 1 -31.552 -4.661 25.832 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -30.487 -7.409 25.924 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -32.175 -6.958 26.066 1.00 0.00 H new ATOM 8 N SER A 2 -30.280 -7.067 23.421 1.00 0.00 N ATOM 9 CA SER A 2 -30.282 -7.133 21.964 1.00 0.00 C ATOM 10 C SER A 2 -29.166 -8.045 21.461 1.00 0.00 C ATOM 11 O SER A 2 -28.073 -8.076 22.026 1.00 0.00 O ATOM 12 CB SER A 2 -30.120 -5.734 21.368 1.00 0.00 C ATOM 13 OG SER A 2 -31.360 -5.048 21.335 1.00 0.00 O ATOM 0 H SER A 2 -29.391 -7.318 23.854 1.00 0.00 H new ATOM 0 HA SER A 2 -31.239 -7.547 21.645 1.00 0.00 H new ATOM 0 HB2 SER A 2 -29.401 -5.165 21.958 1.00 0.00 H new ATOM 0 HB3 SER A 2 -29.715 -5.810 20.359 1.00 0.00 H new ATOM 0 HG SER A 2 -31.939 -5.385 22.050 1.00 0.00 H new ATOM 19 N SER A 3 -29.451 -8.784 20.394 1.00 0.00 N ATOM 20 CA SER A 3 -28.475 -9.700 19.815 1.00 0.00 C ATOM 21 C SER A 3 -28.637 -9.781 18.300 1.00 0.00 C ATOM 22 O SER A 3 -29.723 -9.556 17.768 1.00 0.00 O ATOM 23 CB SER A 3 -28.623 -11.093 20.431 1.00 0.00 C ATOM 24 OG SER A 3 -27.945 -11.176 21.673 1.00 0.00 O ATOM 0 H SER A 3 -30.350 -8.766 19.913 1.00 0.00 H new ATOM 0 HA SER A 3 -27.479 -9.317 20.036 1.00 0.00 H new ATOM 0 HB2 SER A 3 -29.679 -11.321 20.574 1.00 0.00 H new ATOM 0 HB3 SER A 3 -28.226 -11.841 19.745 1.00 0.00 H new ATOM 0 HG SER A 3 -27.778 -10.273 22.015 1.00 0.00 H new ATOM 30 N GLY A 4 -27.547 -10.104 17.611 1.00 0.00 N ATOM 31 CA GLY A 4 -27.588 -10.209 16.164 1.00 0.00 C ATOM 32 C GLY A 4 -26.205 -10.246 15.546 1.00 0.00 C ATOM 33 O GLY A 4 -25.326 -9.473 15.928 1.00 0.00 O ATOM 0 H GLY A 4 -26.636 -10.295 18.029 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -28.132 -11.111 15.884 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -28.142 -9.363 15.757 1.00 0.00 H new ATOM 37 N SER A 5 -26.010 -11.147 14.588 1.00 0.00 N ATOM 38 CA SER A 5 -24.721 -11.285 13.919 1.00 0.00 C ATOM 39 C SER A 5 -24.883 -11.196 12.405 1.00 0.00 C ATOM 40 O SER A 5 -25.825 -11.750 11.837 1.00 0.00 O ATOM 41 CB SER A 5 -24.067 -12.615 14.297 1.00 0.00 C ATOM 42 OG SER A 5 -22.990 -12.919 13.427 1.00 0.00 O ATOM 0 H SER A 5 -26.728 -11.792 14.258 1.00 0.00 H new ATOM 0 HA SER A 5 -24.079 -10.467 14.246 1.00 0.00 H new ATOM 0 HB2 SER A 5 -23.706 -12.567 15.325 1.00 0.00 H new ATOM 0 HB3 SER A 5 -24.808 -13.413 14.256 1.00 0.00 H new ATOM 0 HG SER A 5 -22.588 -13.773 13.691 1.00 0.00 H new ATOM 48 N SER A 6 -23.958 -10.497 11.757 1.00 0.00 N ATOM 49 CA SER A 6 -23.999 -10.332 10.309 1.00 0.00 C ATOM 50 C SER A 6 -22.812 -11.028 9.649 1.00 0.00 C ATOM 51 O SER A 6 -21.785 -11.263 10.283 1.00 0.00 O ATOM 52 CB SER A 6 -24.001 -8.846 9.943 1.00 0.00 C ATOM 53 OG SER A 6 -22.711 -8.280 10.100 1.00 0.00 O ATOM 0 H SER A 6 -23.170 -10.035 12.212 1.00 0.00 H new ATOM 0 HA SER A 6 -24.917 -10.790 9.942 1.00 0.00 H new ATOM 0 HB2 SER A 6 -24.333 -8.723 8.912 1.00 0.00 H new ATOM 0 HB3 SER A 6 -24.714 -8.314 10.573 1.00 0.00 H new ATOM 0 HG SER A 6 -22.739 -7.331 9.858 1.00 0.00 H new ATOM 59 N GLY A 7 -22.962 -11.355 8.369 1.00 0.00 N ATOM 60 CA GLY A 7 -21.897 -12.021 7.643 1.00 0.00 C ATOM 61 C GLY A 7 -21.938 -11.730 6.156 1.00 0.00 C ATOM 62 O GLY A 7 -23.011 -11.546 5.582 1.00 0.00 O ATOM 0 H GLY A 7 -23.803 -11.170 7.822 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -20.935 -11.705 8.045 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -21.971 -13.097 7.802 1.00 0.00 H new ATOM 66 N ASN A 8 -20.766 -11.686 5.530 1.00 0.00 N ATOM 67 CA ASN A 8 -20.673 -11.413 4.101 1.00 0.00 C ATOM 68 C ASN A 8 -19.600 -12.281 3.450 1.00 0.00 C ATOM 69 O ASN A 8 -18.927 -13.064 4.122 1.00 0.00 O ATOM 70 CB ASN A 8 -20.361 -9.934 3.863 1.00 0.00 C ATOM 71 CG ASN A 8 -19.282 -9.413 4.792 1.00 0.00 C ATOM 72 OD1 ASN A 8 -18.159 -9.918 4.803 1.00 0.00 O ATOM 73 ND2 ASN A 8 -19.619 -8.398 5.580 1.00 0.00 N ATOM 0 H ASN A 8 -19.868 -11.836 5.990 1.00 0.00 H new ATOM 0 HA ASN A 8 -21.635 -11.653 3.647 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -20.045 -9.794 2.829 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -21.269 -9.347 4.001 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -18.935 -8.006 6.228 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -20.562 -8.010 5.537 1.00 0.00 H new ATOM 80 N LEU A 9 -19.446 -12.137 2.139 1.00 0.00 N ATOM 81 CA LEU A 9 -18.455 -12.908 1.396 1.00 0.00 C ATOM 82 C LEU A 9 -17.505 -11.986 0.637 1.00 0.00 C ATOM 83 O LEU A 9 -17.891 -10.899 0.208 1.00 0.00 O ATOM 84 CB LEU A 9 -19.148 -13.860 0.419 1.00 0.00 C ATOM 85 CG LEU A 9 -19.569 -13.258 -0.921 1.00 0.00 C ATOM 86 CD1 LEU A 9 -19.788 -14.354 -1.953 1.00 0.00 C ATOM 87 CD2 LEU A 9 -20.827 -12.418 -0.757 1.00 0.00 C ATOM 0 H LEU A 9 -19.994 -11.494 1.568 1.00 0.00 H new ATOM 0 HA LEU A 9 -17.874 -13.490 2.111 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -18.479 -14.698 0.224 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -20.034 -14.266 0.906 1.00 0.00 H new ATOM 0 HG LEU A 9 -18.767 -12.610 -1.274 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -20.087 -13.907 -2.901 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -18.863 -14.913 -2.092 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -20.571 -15.028 -1.607 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -21.112 -11.997 -1.721 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -21.636 -13.044 -0.381 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -20.635 -11.610 -0.051 1.00 0.00 H new ATOM 99 N ASP A 10 -16.264 -12.429 0.474 1.00 0.00 N ATOM 100 CA ASP A 10 -15.259 -11.646 -0.236 1.00 0.00 C ATOM 101 C ASP A 10 -14.796 -12.370 -1.496 1.00 0.00 C ATOM 102 O ASP A 10 -14.018 -13.321 -1.427 1.00 0.00 O ATOM 103 CB ASP A 10 -14.063 -11.365 0.675 1.00 0.00 C ATOM 104 CG ASP A 10 -14.476 -11.108 2.111 1.00 0.00 C ATOM 105 OD1 ASP A 10 -15.316 -10.211 2.335 1.00 0.00 O ATOM 106 OD2 ASP A 10 -13.960 -11.803 3.010 1.00 0.00 O ATOM 0 H ASP A 10 -15.929 -13.327 0.824 1.00 0.00 H new ATOM 0 HA ASP A 10 -15.712 -10.699 -0.529 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -13.379 -12.213 0.643 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -13.517 -10.501 0.297 1.00 0.00 H new ATOM 111 N ALA A 11 -15.281 -11.914 -2.646 1.00 0.00 N ATOM 112 CA ALA A 11 -14.917 -12.517 -3.922 1.00 0.00 C ATOM 113 C ALA A 11 -14.067 -11.565 -4.757 1.00 0.00 C ATOM 114 O ALA A 11 -13.885 -11.770 -5.958 1.00 0.00 O ATOM 115 CB ALA A 11 -16.166 -12.924 -4.690 1.00 0.00 C ATOM 0 H ALA A 11 -15.927 -11.128 -2.720 1.00 0.00 H new ATOM 0 HA ALA A 11 -14.323 -13.408 -3.718 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -15.878 -13.373 -5.641 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -16.734 -13.647 -4.104 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -16.782 -12.044 -4.876 1.00 0.00 H new ATOM 121 N LEU A 12 -13.550 -10.524 -4.115 1.00 0.00 N ATOM 122 CA LEU A 12 -12.719 -9.539 -4.799 1.00 0.00 C ATOM 123 C LEU A 12 -11.449 -10.183 -5.346 1.00 0.00 C ATOM 124 O LEU A 12 -10.981 -11.195 -4.825 1.00 0.00 O ATOM 125 CB LEU A 12 -12.356 -8.399 -3.845 1.00 0.00 C ATOM 126 CG LEU A 12 -13.505 -7.477 -3.434 1.00 0.00 C ATOM 127 CD1 LEU A 12 -12.992 -6.069 -3.174 1.00 0.00 C ATOM 128 CD2 LEU A 12 -14.588 -7.464 -4.503 1.00 0.00 C ATOM 0 H LEU A 12 -13.691 -10.340 -3.122 1.00 0.00 H new ATOM 0 HA LEU A 12 -13.290 -9.137 -5.636 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -11.923 -8.831 -2.943 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -11.580 -7.793 -4.313 1.00 0.00 H new ATOM 0 HG LEU A 12 -13.940 -7.859 -2.511 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -13.823 -5.427 -2.883 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -12.254 -6.093 -2.372 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -12.531 -5.677 -4.080 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -15.397 -6.803 -4.193 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -14.167 -7.107 -5.443 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -14.976 -8.473 -4.640 1.00 0.00 H new ATOM 140 N ARG A 13 -10.896 -9.588 -6.397 1.00 0.00 N ATOM 141 CA ARG A 13 -9.679 -10.103 -7.014 1.00 0.00 C ATOM 142 C ARG A 13 -8.531 -9.109 -6.866 1.00 0.00 C ATOM 143 O ARG A 13 -7.369 -9.499 -6.767 1.00 0.00 O ATOM 144 CB ARG A 13 -9.921 -10.403 -8.495 1.00 0.00 C ATOM 145 CG ARG A 13 -10.365 -9.192 -9.297 1.00 0.00 C ATOM 146 CD ARG A 13 -10.401 -9.493 -10.787 1.00 0.00 C ATOM 147 NE ARG A 13 -11.667 -10.096 -11.193 1.00 0.00 N ATOM 148 CZ ARG A 13 -11.822 -10.800 -12.309 1.00 0.00 C ATOM 149 NH1 ARG A 13 -10.794 -10.989 -13.126 1.00 0.00 N ATOM 150 NH2 ARG A 13 -13.006 -11.317 -12.610 1.00 0.00 N ATOM 0 H ARG A 13 -11.271 -8.749 -6.840 1.00 0.00 H new ATOM 0 HA ARG A 13 -9.405 -11.026 -6.503 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -9.004 -10.801 -8.931 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -10.679 -11.182 -8.580 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -11.354 -8.877 -8.964 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -9.686 -8.361 -9.109 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -10.242 -8.571 -11.347 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -9.581 -10.165 -11.041 1.00 0.00 H new ATOM 0 HE ARG A 13 -12.477 -9.970 -10.586 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -9.882 -10.593 -12.898 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -10.916 -11.530 -13.982 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -13.799 -11.174 -11.984 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -13.124 -11.857 -13.467 1.00 0.00 H new ATOM 164 N GLU A 14 -8.868 -7.822 -6.853 1.00 0.00 N ATOM 165 CA GLU A 14 -7.864 -6.773 -6.719 1.00 0.00 C ATOM 166 C GLU A 14 -7.388 -6.657 -5.274 1.00 0.00 C ATOM 167 O GLU A 14 -7.978 -7.242 -4.365 1.00 0.00 O ATOM 168 CB GLU A 14 -8.431 -5.432 -7.189 1.00 0.00 C ATOM 169 CG GLU A 14 -7.378 -4.347 -7.344 1.00 0.00 C ATOM 170 CD GLU A 14 -6.170 -4.815 -8.131 1.00 0.00 C ATOM 171 OE1 GLU A 14 -5.281 -5.453 -7.530 1.00 0.00 O ATOM 172 OE2 GLU A 14 -6.113 -4.542 -9.348 1.00 0.00 O ATOM 0 H GLU A 14 -9.826 -7.482 -6.933 1.00 0.00 H new ATOM 0 HA GLU A 14 -7.012 -7.039 -7.344 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -8.936 -5.575 -8.144 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -9.185 -5.096 -6.477 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -7.821 -3.485 -7.843 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -7.057 -4.014 -6.357 1.00 0.00 H new ATOM 179 N VAL A 15 -6.316 -5.898 -5.069 1.00 0.00 N ATOM 180 CA VAL A 15 -5.759 -5.705 -3.735 1.00 0.00 C ATOM 181 C VAL A 15 -6.217 -4.380 -3.136 1.00 0.00 C ATOM 182 O VAL A 15 -5.425 -3.648 -2.542 1.00 0.00 O ATOM 183 CB VAL A 15 -4.220 -5.740 -3.759 1.00 0.00 C ATOM 184 CG1 VAL A 15 -3.724 -7.096 -4.238 1.00 0.00 C ATOM 185 CG2 VAL A 15 -3.675 -4.624 -4.636 1.00 0.00 C ATOM 0 H VAL A 15 -5.816 -5.407 -5.810 1.00 0.00 H new ATOM 0 HA VAL A 15 -6.124 -6.526 -3.117 1.00 0.00 H new ATOM 0 HB VAL A 15 -3.855 -5.584 -2.744 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -2.634 -7.102 -4.248 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -4.085 -7.874 -3.565 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -4.097 -7.285 -5.244 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -2.586 -4.664 -4.641 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -4.047 -4.746 -5.653 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -4.001 -3.661 -4.243 1.00 0.00 H new ATOM 195 N LEU A 16 -7.501 -4.077 -3.296 1.00 0.00 N ATOM 196 CA LEU A 16 -8.066 -2.839 -2.770 1.00 0.00 C ATOM 197 C LEU A 16 -7.810 -2.717 -1.271 1.00 0.00 C ATOM 198 O LEU A 16 -7.901 -1.630 -0.703 1.00 0.00 O ATOM 199 CB LEU A 16 -9.569 -2.782 -3.049 1.00 0.00 C ATOM 200 CG LEU A 16 -9.990 -3.002 -4.502 1.00 0.00 C ATOM 201 CD1 LEU A 16 -11.480 -3.296 -4.587 1.00 0.00 C ATOM 202 CD2 LEU A 16 -9.634 -1.790 -5.350 1.00 0.00 C ATOM 0 H LEU A 16 -8.170 -4.671 -3.785 1.00 0.00 H new ATOM 0 HA LEU A 16 -7.578 -2.004 -3.272 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -10.062 -3.533 -2.431 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -9.942 -1.810 -2.727 1.00 0.00 H new ATOM 0 HG LEU A 16 -9.448 -3.864 -4.891 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -11.762 -3.450 -5.629 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -11.707 -4.195 -4.013 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -12.041 -2.455 -4.180 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -9.941 -1.965 -6.381 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -10.148 -0.911 -4.962 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -8.557 -1.625 -5.315 1.00 0.00 H new ATOM 214 N GLU A 17 -7.489 -3.841 -0.638 1.00 0.00 N ATOM 215 CA GLU A 17 -7.219 -3.859 0.795 1.00 0.00 C ATOM 216 C GLU A 17 -5.729 -4.048 1.066 1.00 0.00 C ATOM 217 O GLU A 17 -5.007 -4.626 0.253 1.00 0.00 O ATOM 218 CB GLU A 17 -8.016 -4.976 1.473 1.00 0.00 C ATOM 219 CG GLU A 17 -9.377 -4.529 1.982 1.00 0.00 C ATOM 220 CD GLU A 17 -10.386 -5.660 2.018 1.00 0.00 C ATOM 221 OE1 GLU A 17 -9.992 -6.795 2.357 1.00 0.00 O ATOM 222 OE2 GLU A 17 -11.570 -5.410 1.707 1.00 0.00 O ATOM 0 H GLU A 17 -7.410 -4.750 -1.094 1.00 0.00 H new ATOM 0 HA GLU A 17 -7.528 -2.899 1.208 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -8.152 -5.794 0.766 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -7.436 -5.369 2.308 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -9.268 -4.113 2.983 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -9.755 -3.730 1.344 1.00 0.00 H new ATOM 229 N CYS A 18 -5.275 -3.554 2.213 1.00 0.00 N ATOM 230 CA CYS A 18 -3.872 -3.666 2.592 1.00 0.00 C ATOM 231 C CYS A 18 -3.490 -5.123 2.840 1.00 0.00 C ATOM 232 O CYS A 18 -4.219 -5.882 3.479 1.00 0.00 O ATOM 233 CB CYS A 18 -3.593 -2.834 3.846 1.00 0.00 C ATOM 234 SG CYS A 18 -1.859 -2.886 4.402 1.00 0.00 S ATOM 0 H CYS A 18 -5.859 -3.072 2.896 1.00 0.00 H new ATOM 0 HA CYS A 18 -3.268 -3.285 1.769 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -3.870 -1.798 3.651 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -4.233 -3.188 4.654 1.00 0.00 H new ATOM 239 N PRO A 19 -2.318 -5.523 2.323 1.00 0.00 N ATOM 240 CA PRO A 19 -1.812 -6.890 2.476 1.00 0.00 C ATOM 241 C PRO A 19 -1.396 -7.198 3.910 1.00 0.00 C ATOM 242 O PRO A 19 -0.939 -8.301 4.211 1.00 0.00 O ATOM 243 CB PRO A 19 -0.595 -6.923 1.548 1.00 0.00 C ATOM 244 CG PRO A 19 -0.150 -5.505 1.456 1.00 0.00 C ATOM 245 CD PRO A 19 -1.398 -4.672 1.551 1.00 0.00 C ATOM 0 HA PRO A 19 -2.571 -7.634 2.235 1.00 0.00 H new ATOM 0 HB2 PRO A 19 0.193 -7.560 1.951 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -0.856 -7.320 0.567 1.00 0.00 H new ATOM 0 HG2 PRO A 19 0.544 -5.261 2.260 1.00 0.00 H new ATOM 0 HG3 PRO A 19 0.372 -5.320 0.517 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -1.211 -3.723 2.054 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -1.800 -4.436 0.566 1.00 0.00 H new ATOM 253 N ILE A 20 -1.557 -6.216 4.791 1.00 0.00 N ATOM 254 CA ILE A 20 -1.199 -6.383 6.195 1.00 0.00 C ATOM 255 C ILE A 20 -2.431 -6.302 7.089 1.00 0.00 C ATOM 256 O ILE A 20 -2.912 -7.316 7.597 1.00 0.00 O ATOM 257 CB ILE A 20 -0.179 -5.321 6.646 1.00 0.00 C ATOM 258 CG1 ILE A 20 1.069 -5.374 5.763 1.00 0.00 C ATOM 259 CG2 ILE A 20 0.190 -5.529 8.107 1.00 0.00 C ATOM 260 CD1 ILE A 20 2.160 -4.421 6.202 1.00 0.00 C ATOM 0 H ILE A 20 -1.933 -5.297 4.558 1.00 0.00 H new ATOM 0 HA ILE A 20 -0.748 -7.371 6.291 1.00 0.00 H new ATOM 0 HB ILE A 20 -0.632 -4.335 6.543 1.00 0.00 H new ATOM 0 HG12 ILE A 20 1.463 -6.390 5.765 1.00 0.00 H new ATOM 0 HG13 ILE A 20 0.788 -5.143 4.736 1.00 0.00 H new ATOM 0 HG21 ILE A 20 0.912 -4.771 8.411 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -0.705 -5.446 8.724 1.00 0.00 H new ATOM 0 HG23 ILE A 20 0.628 -6.519 8.234 1.00 0.00 H new ATOM 0 HD11 ILE A 20 3.014 -4.512 5.531 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.783 -3.399 6.173 1.00 0.00 H new ATOM 0 HD13 ILE A 20 2.469 -4.665 7.218 1.00 0.00 H new ATOM 272 N CYS A 21 -2.940 -5.089 7.278 1.00 0.00 N ATOM 273 CA CYS A 21 -4.117 -4.874 8.110 1.00 0.00 C ATOM 274 C CYS A 21 -5.383 -5.329 7.390 1.00 0.00 C ATOM 275 O CYS A 21 -6.376 -5.685 8.024 1.00 0.00 O ATOM 276 CB CYS A 21 -4.236 -3.396 8.489 1.00 0.00 C ATOM 277 SG CYS A 21 -4.207 -2.259 7.067 1.00 0.00 S ATOM 0 H CYS A 21 -2.555 -4.239 6.865 1.00 0.00 H new ATOM 0 HA CYS A 21 -4.003 -5.467 9.017 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -5.164 -3.247 9.041 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -3.419 -3.138 9.163 1.00 0.00 H new ATOM 282 N MET A 22 -5.339 -5.314 6.062 1.00 0.00 N ATOM 283 CA MET A 22 -6.482 -5.726 5.255 1.00 0.00 C ATOM 284 C MET A 22 -7.668 -4.794 5.476 1.00 0.00 C ATOM 285 O MET A 22 -8.774 -5.242 5.777 1.00 0.00 O ATOM 286 CB MET A 22 -6.879 -7.165 5.593 1.00 0.00 C ATOM 287 CG MET A 22 -5.809 -8.188 5.247 1.00 0.00 C ATOM 288 SD MET A 22 -5.811 -8.630 3.499 1.00 0.00 S ATOM 289 CE MET A 22 -4.364 -9.684 3.416 1.00 0.00 C ATOM 0 H MET A 22 -4.525 -5.021 5.522 1.00 0.00 H new ATOM 0 HA MET A 22 -6.192 -5.673 4.206 1.00 0.00 H new ATOM 0 HB2 MET A 22 -7.102 -7.231 6.658 1.00 0.00 H new ATOM 0 HB3 MET A 22 -7.796 -7.415 5.059 1.00 0.00 H new ATOM 0 HG2 MET A 22 -4.831 -7.790 5.516 1.00 0.00 H new ATOM 0 HG3 MET A 22 -5.963 -9.086 5.845 1.00 0.00 H new ATOM 0 HE1 MET A 22 -4.189 -9.981 2.382 1.00 0.00 H new ATOM 0 HE2 MET A 22 -3.496 -9.140 3.789 1.00 0.00 H new ATOM 0 HE3 MET A 22 -4.526 -10.572 4.026 1.00 0.00 H new ATOM 299 N GLU A 23 -7.430 -3.495 5.324 1.00 0.00 N ATOM 300 CA GLU A 23 -8.480 -2.500 5.509 1.00 0.00 C ATOM 301 C GLU A 23 -8.693 -1.690 4.233 1.00 0.00 C ATOM 302 O GLU A 23 -7.742 -1.171 3.649 1.00 0.00 O ATOM 303 CB GLU A 23 -8.129 -1.564 6.667 1.00 0.00 C ATOM 304 CG GLU A 23 -8.642 -2.043 8.014 1.00 0.00 C ATOM 305 CD GLU A 23 -10.156 -2.094 8.077 1.00 0.00 C ATOM 306 OE1 GLU A 23 -10.737 -3.096 7.609 1.00 0.00 O ATOM 307 OE2 GLU A 23 -10.761 -1.132 8.595 1.00 0.00 O ATOM 0 H GLU A 23 -6.520 -3.107 5.074 1.00 0.00 H new ATOM 0 HA GLU A 23 -9.405 -3.026 5.744 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -7.046 -1.454 6.719 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -8.540 -0.576 6.462 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -8.240 -3.035 8.220 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -8.272 -1.380 8.796 1.00 0.00 H new ATOM 314 N SER A 24 -9.948 -1.588 3.806 1.00 0.00 N ATOM 315 CA SER A 24 -10.286 -0.846 2.597 1.00 0.00 C ATOM 316 C SER A 24 -9.497 0.457 2.521 1.00 0.00 C ATOM 317 O SER A 24 -9.793 1.418 3.232 1.00 0.00 O ATOM 318 CB SER A 24 -11.787 -0.550 2.558 1.00 0.00 C ATOM 319 OG SER A 24 -12.196 0.163 3.712 1.00 0.00 O ATOM 0 H SER A 24 -10.747 -2.010 4.279 1.00 0.00 H new ATOM 0 HA SER A 24 -10.022 -1.461 1.737 1.00 0.00 H new ATOM 0 HB2 SER A 24 -12.024 0.030 1.666 1.00 0.00 H new ATOM 0 HB3 SER A 24 -12.344 -1.485 2.488 1.00 0.00 H new ATOM 0 HG SER A 24 -11.557 0.883 3.895 1.00 0.00 H new ATOM 325 N PHE A 25 -8.491 0.482 1.654 1.00 0.00 N ATOM 326 CA PHE A 25 -7.657 1.666 1.484 1.00 0.00 C ATOM 327 C PHE A 25 -8.507 2.934 1.480 1.00 0.00 C ATOM 328 O PHE A 25 -9.122 3.280 0.471 1.00 0.00 O ATOM 329 CB PHE A 25 -6.857 1.571 0.183 1.00 0.00 C ATOM 330 CG PHE A 25 -5.713 0.600 0.253 1.00 0.00 C ATOM 331 CD1 PHE A 25 -4.828 0.627 1.318 1.00 0.00 C ATOM 332 CD2 PHE A 25 -5.524 -0.341 -0.747 1.00 0.00 C ATOM 333 CE1 PHE A 25 -3.774 -0.265 1.384 1.00 0.00 C ATOM 334 CE2 PHE A 25 -4.472 -1.235 -0.686 1.00 0.00 C ATOM 335 CZ PHE A 25 -3.597 -1.198 0.381 1.00 0.00 C ATOM 0 H PHE A 25 -8.233 -0.304 1.058 1.00 0.00 H new ATOM 0 HA PHE A 25 -6.965 1.716 2.325 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -7.526 1.275 -0.625 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -6.470 2.558 -0.069 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -4.963 1.353 2.106 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -6.207 -0.376 -1.583 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -3.090 -0.232 2.219 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -4.335 -1.962 -1.473 1.00 0.00 H new ATOM 0 HZ PHE A 25 -2.776 -1.897 0.431 1.00 0.00 H new ATOM 345 N THR A 26 -8.536 3.623 2.616 1.00 0.00 N ATOM 346 CA THR A 26 -9.311 4.851 2.746 1.00 0.00 C ATOM 347 C THR A 26 -8.416 6.080 2.635 1.00 0.00 C ATOM 348 O THR A 26 -7.625 6.365 3.533 1.00 0.00 O ATOM 349 CB THR A 26 -10.067 4.899 4.087 1.00 0.00 C ATOM 350 OG1 THR A 26 -9.138 5.032 5.168 1.00 0.00 O ATOM 351 CG2 THR A 26 -10.904 3.644 4.282 1.00 0.00 C ATOM 0 H THR A 26 -8.032 3.352 3.460 1.00 0.00 H new ATOM 0 HA THR A 26 -10.034 4.857 1.930 1.00 0.00 H new ATOM 0 HB THR A 26 -10.733 5.762 4.073 1.00 0.00 H new ATOM 0 HG1 THR A 26 -8.250 5.243 4.812 1.00 0.00 H new ATOM 0 HG21 THR A 26 -11.428 3.701 5.236 1.00 0.00 H new ATOM 0 HG22 THR A 26 -11.630 3.561 3.473 1.00 0.00 H new ATOM 0 HG23 THR A 26 -10.254 2.769 4.277 1.00 0.00 H new ATOM 359 N GLU A 27 -8.548 6.804 1.528 1.00 0.00 N ATOM 360 CA GLU A 27 -7.750 8.004 1.302 1.00 0.00 C ATOM 361 C GLU A 27 -7.695 8.867 2.559 1.00 0.00 C ATOM 362 O GLU A 27 -6.662 9.455 2.876 1.00 0.00 O ATOM 363 CB GLU A 27 -8.325 8.814 0.138 1.00 0.00 C ATOM 364 CG GLU A 27 -9.788 9.181 0.317 1.00 0.00 C ATOM 365 CD GLU A 27 -10.480 9.480 -0.999 1.00 0.00 C ATOM 366 OE1 GLU A 27 -9.901 10.225 -1.818 1.00 0.00 O ATOM 367 OE2 GLU A 27 -11.599 8.969 -1.210 1.00 0.00 O ATOM 0 H GLU A 27 -9.199 6.581 0.775 1.00 0.00 H new ATOM 0 HA GLU A 27 -6.736 7.693 1.052 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -7.742 9.727 0.019 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -8.213 8.241 -0.783 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -10.305 8.362 0.817 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -9.863 10.051 0.969 1.00 0.00 H new ATOM 374 N GLU A 28 -8.816 8.937 3.270 1.00 0.00 N ATOM 375 CA GLU A 28 -8.897 9.729 4.492 1.00 0.00 C ATOM 376 C GLU A 28 -7.682 9.482 5.381 1.00 0.00 C ATOM 377 O GLU A 28 -6.878 10.384 5.615 1.00 0.00 O ATOM 378 CB GLU A 28 -10.179 9.398 5.257 1.00 0.00 C ATOM 379 CG GLU A 28 -11.423 10.044 4.671 1.00 0.00 C ATOM 380 CD GLU A 28 -11.617 11.471 5.144 1.00 0.00 C ATOM 381 OE1 GLU A 28 -10.615 12.110 5.527 1.00 0.00 O ATOM 382 OE2 GLU A 28 -12.771 11.949 5.132 1.00 0.00 O ATOM 0 H GLU A 28 -9.680 8.455 3.021 1.00 0.00 H new ATOM 0 HA GLU A 28 -8.912 10.782 4.212 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -10.314 8.317 5.271 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -10.067 9.719 6.293 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -11.356 10.032 3.583 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -12.297 9.453 4.943 1.00 0.00 H new ATOM 389 N GLN A 29 -7.557 8.255 5.874 1.00 0.00 N ATOM 390 CA GLN A 29 -6.441 7.889 6.739 1.00 0.00 C ATOM 391 C GLN A 29 -5.575 6.817 6.087 1.00 0.00 C ATOM 392 O GLN A 29 -4.445 7.083 5.674 1.00 0.00 O ATOM 393 CB GLN A 29 -6.957 7.392 8.091 1.00 0.00 C ATOM 394 CG GLN A 29 -5.982 7.616 9.234 1.00 0.00 C ATOM 395 CD GLN A 29 -5.965 9.054 9.714 1.00 0.00 C ATOM 396 OE1 GLN A 29 -6.801 9.864 9.313 1.00 0.00 O ATOM 397 NE2 GLN A 29 -5.010 9.380 10.577 1.00 0.00 N ATOM 0 H GLN A 29 -8.214 7.497 5.690 1.00 0.00 H new ATOM 0 HA GLN A 29 -5.830 8.778 6.896 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -7.895 7.897 8.320 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -7.178 6.327 8.017 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -6.247 6.963 10.065 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -4.980 7.333 8.912 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -4.337 8.677 10.883 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -4.949 10.334 10.934 1.00 0.00 H new ATOM 406 N LEU A 30 -6.110 5.605 5.997 1.00 0.00 N ATOM 407 CA LEU A 30 -5.386 4.491 5.395 1.00 0.00 C ATOM 408 C LEU A 30 -5.158 4.731 3.906 1.00 0.00 C ATOM 409 O LEU A 30 -5.824 4.133 3.061 1.00 0.00 O ATOM 410 CB LEU A 30 -6.156 3.185 5.600 1.00 0.00 C ATOM 411 CG LEU A 30 -6.502 2.830 7.046 1.00 0.00 C ATOM 412 CD1 LEU A 30 -7.306 1.541 7.102 1.00 0.00 C ATOM 413 CD2 LEU A 30 -5.237 2.709 7.883 1.00 0.00 C ATOM 0 H LEU A 30 -7.043 5.368 6.333 1.00 0.00 H new ATOM 0 HA LEU A 30 -4.416 4.414 5.885 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -7.083 3.239 5.029 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -5.568 2.370 5.177 1.00 0.00 H new ATOM 0 HG LEU A 30 -7.112 3.632 7.460 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -7.543 1.305 8.139 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -8.230 1.664 6.538 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -6.722 0.729 6.669 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -5.503 2.456 8.909 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -4.601 1.927 7.469 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -4.700 3.658 7.871 1.00 0.00 H new ATOM 425 N ARG A 31 -4.211 5.609 3.592 1.00 0.00 N ATOM 426 CA ARG A 31 -3.894 5.928 2.205 1.00 0.00 C ATOM 427 C ARG A 31 -2.984 4.864 1.597 1.00 0.00 C ATOM 428 O ARG A 31 -1.946 4.509 2.154 1.00 0.00 O ATOM 429 CB ARG A 31 -3.223 7.300 2.115 1.00 0.00 C ATOM 430 CG ARG A 31 -4.198 8.462 2.207 1.00 0.00 C ATOM 431 CD ARG A 31 -3.477 9.800 2.152 1.00 0.00 C ATOM 432 NE ARG A 31 -4.410 10.923 2.117 1.00 0.00 N ATOM 433 CZ ARG A 31 -4.029 12.193 2.039 1.00 0.00 C ATOM 434 NH1 ARG A 31 -2.740 12.500 1.989 1.00 0.00 N ATOM 435 NH2 ARG A 31 -4.937 13.160 2.012 1.00 0.00 N ATOM 0 H ARG A 31 -3.650 6.112 4.279 1.00 0.00 H new ATOM 0 HA ARG A 31 -4.827 5.950 1.641 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -2.488 7.389 2.915 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -2.678 7.368 1.173 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -4.917 8.401 1.390 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -4.764 8.391 3.136 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -2.826 9.897 3.021 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -2.838 9.832 1.269 1.00 0.00 H new ATOM 0 HE ARG A 31 -5.409 10.721 2.155 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -2.038 11.760 2.010 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -2.450 13.476 1.929 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -5.930 12.929 2.051 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -4.642 14.135 1.952 1.00 0.00 H new ATOM 449 N PRO A 32 -3.383 4.343 0.427 1.00 0.00 N ATOM 450 CA PRO A 32 -2.618 3.313 -0.282 1.00 0.00 C ATOM 451 C PRO A 32 -1.312 3.852 -0.855 1.00 0.00 C ATOM 452 O PRO A 32 -1.314 4.765 -1.682 1.00 0.00 O ATOM 453 CB PRO A 32 -3.560 2.885 -1.410 1.00 0.00 C ATOM 454 CG PRO A 32 -4.440 4.066 -1.637 1.00 0.00 C ATOM 455 CD PRO A 32 -4.610 4.720 -0.294 1.00 0.00 C ATOM 0 HA PRO A 32 -2.323 2.498 0.379 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -3.006 2.625 -2.312 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -4.141 2.007 -1.129 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -3.991 4.755 -2.353 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -5.403 3.762 -2.048 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -4.707 5.802 -0.383 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -5.503 4.361 0.218 1.00 0.00 H new ATOM 463 N LYS A 33 -0.197 3.282 -0.411 1.00 0.00 N ATOM 464 CA LYS A 33 1.118 3.704 -0.880 1.00 0.00 C ATOM 465 C LYS A 33 1.872 2.535 -1.507 1.00 0.00 C ATOM 466 O LYS A 33 1.934 1.445 -0.937 1.00 0.00 O ATOM 467 CB LYS A 33 1.932 4.288 0.276 1.00 0.00 C ATOM 468 CG LYS A 33 1.152 5.270 1.134 1.00 0.00 C ATOM 469 CD LYS A 33 0.678 6.464 0.323 1.00 0.00 C ATOM 470 CE LYS A 33 1.647 7.631 0.430 1.00 0.00 C ATOM 471 NZ LYS A 33 1.284 8.554 1.541 1.00 0.00 N ATOM 0 H LYS A 33 -0.178 2.526 0.273 1.00 0.00 H new ATOM 0 HA LYS A 33 0.976 4.472 -1.640 1.00 0.00 H new ATOM 0 HB2 LYS A 33 2.290 3.473 0.905 1.00 0.00 H new ATOM 0 HB3 LYS A 33 2.812 4.790 -0.127 1.00 0.00 H new ATOM 0 HG2 LYS A 33 0.293 4.766 1.577 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.779 5.614 1.957 1.00 0.00 H new ATOM 0 HD2 LYS A 33 0.569 6.175 -0.722 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -0.307 6.774 0.672 1.00 0.00 H new ATOM 0 HE2 LYS A 33 2.656 7.251 0.589 1.00 0.00 H new ATOM 0 HE3 LYS A 33 1.658 8.182 -0.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 1.969 9.336 1.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 0.331 8.936 1.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 1.299 8.035 2.442 1.00 0.00 H new ATOM 485 N LEU A 34 2.445 2.770 -2.683 1.00 0.00 N ATOM 486 CA LEU A 34 3.197 1.737 -3.387 1.00 0.00 C ATOM 487 C LEU A 34 4.691 1.867 -3.110 1.00 0.00 C ATOM 488 O LEU A 34 5.256 2.959 -3.189 1.00 0.00 O ATOM 489 CB LEU A 34 2.936 1.824 -4.891 1.00 0.00 C ATOM 490 CG LEU A 34 3.012 0.507 -5.663 1.00 0.00 C ATOM 491 CD1 LEU A 34 2.344 -0.611 -4.878 1.00 0.00 C ATOM 492 CD2 LEU A 34 2.368 0.655 -7.035 1.00 0.00 C ATOM 0 H LEU A 34 2.403 3.666 -3.168 1.00 0.00 H new ATOM 0 HA LEU A 34 2.862 0.766 -3.022 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.946 2.255 -5.043 1.00 0.00 H new ATOM 0 HB3 LEU A 34 3.656 2.518 -5.325 1.00 0.00 H new ATOM 0 HG LEU A 34 4.062 0.250 -5.802 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.408 -1.541 -5.443 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.848 -0.734 -3.919 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.297 -0.361 -4.708 1.00 0.00 H new ATOM 0 HD21 LEU A 34 2.431 -0.292 -7.571 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.321 0.936 -6.917 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.890 1.427 -7.600 1.00 0.00 H new ATOM 504 N LEU A 35 5.328 0.746 -2.786 1.00 0.00 N ATOM 505 CA LEU A 35 6.758 0.734 -2.500 1.00 0.00 C ATOM 506 C LEU A 35 7.569 0.586 -3.783 1.00 0.00 C ATOM 507 O LEU A 35 7.043 0.177 -4.819 1.00 0.00 O ATOM 508 CB LEU A 35 7.095 -0.404 -1.535 1.00 0.00 C ATOM 509 CG LEU A 35 6.353 -0.393 -0.198 1.00 0.00 C ATOM 510 CD1 LEU A 35 6.859 -1.509 0.702 1.00 0.00 C ATOM 511 CD2 LEU A 35 6.506 0.957 0.486 1.00 0.00 C ATOM 0 H LEU A 35 4.876 -0.166 -2.715 1.00 0.00 H new ATOM 0 HA LEU A 35 7.019 1.685 -2.036 1.00 0.00 H new ATOM 0 HB2 LEU A 35 6.888 -1.350 -2.035 1.00 0.00 H new ATOM 0 HB3 LEU A 35 8.166 -0.377 -1.334 1.00 0.00 H new ATOM 0 HG LEU A 35 5.294 -0.562 -0.391 1.00 0.00 H new ATOM 0 HD11 LEU A 35 6.320 -1.486 1.649 1.00 0.00 H new ATOM 0 HD12 LEU A 35 6.696 -2.471 0.215 1.00 0.00 H new ATOM 0 HD13 LEU A 35 7.924 -1.372 0.888 1.00 0.00 H new ATOM 0 HD21 LEU A 35 5.971 0.946 1.436 1.00 0.00 H new ATOM 0 HD22 LEU A 35 7.562 1.156 0.666 1.00 0.00 H new ATOM 0 HD23 LEU A 35 6.094 1.738 -0.153 1.00 0.00 H new ATOM 523 N HIS A 36 8.854 0.918 -3.707 1.00 0.00 N ATOM 524 CA HIS A 36 9.739 0.820 -4.862 1.00 0.00 C ATOM 525 C HIS A 36 9.777 -0.609 -5.396 1.00 0.00 C ATOM 526 O HIS A 36 10.303 -0.863 -6.481 1.00 0.00 O ATOM 527 CB HIS A 36 11.151 1.275 -4.489 1.00 0.00 C ATOM 528 CG HIS A 36 11.259 2.748 -4.242 1.00 0.00 C ATOM 529 ND1 HIS A 36 12.448 3.441 -4.333 1.00 0.00 N ATOM 530 CD2 HIS A 36 10.318 3.661 -3.907 1.00 0.00 C ATOM 531 CE1 HIS A 36 12.234 4.716 -4.062 1.00 0.00 C ATOM 532 NE2 HIS A 36 10.949 4.876 -3.801 1.00 0.00 N ATOM 0 H HIS A 36 9.305 1.257 -2.858 1.00 0.00 H new ATOM 0 HA HIS A 36 9.350 1.472 -5.644 1.00 0.00 H new ATOM 0 HB2 HIS A 36 11.472 0.740 -3.595 1.00 0.00 H new ATOM 0 HB3 HIS A 36 11.837 0.998 -5.290 1.00 0.00 H new ATOM 0 HD1 HIS A 36 13.352 3.033 -4.572 1.00 0.00 H new ATOM 0 HD2 HIS A 36 9.266 3.470 -3.752 1.00 0.00 H new ATOM 0 HE1 HIS A 36 12.982 5.495 -4.055 1.00 0.00 H new ATOM 540 N CYS A 37 9.217 -1.538 -4.629 1.00 0.00 N ATOM 541 CA CYS A 37 9.188 -2.941 -5.024 1.00 0.00 C ATOM 542 C CYS A 37 7.938 -3.249 -5.844 1.00 0.00 C ATOM 543 O CYS A 37 8.013 -3.883 -6.896 1.00 0.00 O ATOM 544 CB CYS A 37 9.235 -3.841 -3.788 1.00 0.00 C ATOM 545 SG CYS A 37 7.813 -3.640 -2.667 1.00 0.00 S ATOM 0 H CYS A 37 8.777 -1.344 -3.730 1.00 0.00 H new ATOM 0 HA CYS A 37 10.064 -3.137 -5.642 1.00 0.00 H new ATOM 0 HB2 CYS A 37 9.285 -4.881 -4.111 1.00 0.00 H new ATOM 0 HB3 CYS A 37 10.152 -3.634 -3.236 1.00 0.00 H new ATOM 550 N GLY A 38 6.788 -2.794 -5.354 1.00 0.00 N ATOM 551 CA GLY A 38 5.539 -3.031 -6.053 1.00 0.00 C ATOM 552 C GLY A 38 4.389 -3.311 -5.107 1.00 0.00 C ATOM 553 O GLY A 38 3.234 -3.013 -5.416 1.00 0.00 O ATOM 0 H GLY A 38 6.700 -2.266 -4.486 1.00 0.00 H new ATOM 0 HA2 GLY A 38 5.298 -2.162 -6.665 1.00 0.00 H new ATOM 0 HA3 GLY A 38 5.661 -3.875 -6.732 1.00 0.00 H new ATOM 557 N HIS A 39 4.702 -3.887 -3.951 1.00 0.00 N ATOM 558 CA HIS A 39 3.685 -4.209 -2.956 1.00 0.00 C ATOM 559 C HIS A 39 2.993 -2.944 -2.458 1.00 0.00 C ATOM 560 O HIS A 39 3.624 -1.898 -2.301 1.00 0.00 O ATOM 561 CB HIS A 39 4.311 -4.958 -1.780 1.00 0.00 C ATOM 562 CG HIS A 39 4.721 -6.360 -2.112 1.00 0.00 C ATOM 563 ND1 HIS A 39 5.957 -6.879 -1.789 1.00 0.00 N ATOM 564 CD2 HIS A 39 4.050 -7.353 -2.742 1.00 0.00 C ATOM 565 CE1 HIS A 39 6.029 -8.131 -2.207 1.00 0.00 C ATOM 566 NE2 HIS A 39 4.885 -8.442 -2.788 1.00 0.00 N ATOM 0 H HIS A 39 5.652 -4.141 -3.680 1.00 0.00 H new ATOM 0 HA HIS A 39 2.939 -4.848 -3.429 1.00 0.00 H new ATOM 0 HB2 HIS A 39 5.184 -4.406 -1.432 1.00 0.00 H new ATOM 0 HB3 HIS A 39 3.599 -4.982 -0.955 1.00 0.00 H new ATOM 0 HD2 HIS A 39 3.046 -7.299 -3.135 1.00 0.00 H new ATOM 0 HE1 HIS A 39 6.879 -8.788 -2.093 1.00 0.00 H new ATOM 0 HE2 HIS A 39 4.658 -9.345 -3.204 1.00 0.00 H new ATOM 574 N THR A 40 1.690 -3.045 -2.212 1.00 0.00 N ATOM 575 CA THR A 40 0.912 -1.910 -1.734 1.00 0.00 C ATOM 576 C THR A 40 0.597 -2.045 -0.248 1.00 0.00 C ATOM 577 O THR A 40 0.150 -3.098 0.207 1.00 0.00 O ATOM 578 CB THR A 40 -0.407 -1.765 -2.515 1.00 0.00 C ATOM 579 OG1 THR A 40 -0.134 -1.591 -3.910 1.00 0.00 O ATOM 580 CG2 THR A 40 -1.214 -0.581 -2.001 1.00 0.00 C ATOM 0 H THR A 40 1.152 -3.902 -2.336 1.00 0.00 H new ATOM 0 HA THR A 40 1.521 -1.020 -1.894 1.00 0.00 H new ATOM 0 HB THR A 40 -0.991 -2.674 -2.369 1.00 0.00 H new ATOM 0 HG1 THR A 40 -0.784 -2.101 -4.437 1.00 0.00 H new ATOM 0 HG21 THR A 40 -2.141 -0.499 -2.568 1.00 0.00 H new ATOM 0 HG22 THR A 40 -1.446 -0.729 -0.946 1.00 0.00 H new ATOM 0 HG23 THR A 40 -0.634 0.334 -2.120 1.00 0.00 H new ATOM 588 N ILE A 41 0.833 -0.974 0.501 1.00 0.00 N ATOM 589 CA ILE A 41 0.573 -0.973 1.935 1.00 0.00 C ATOM 590 C ILE A 41 -0.019 0.358 2.386 1.00 0.00 C ATOM 591 O ILE A 41 0.324 1.414 1.855 1.00 0.00 O ATOM 592 CB ILE A 41 1.856 -1.251 2.741 1.00 0.00 C ATOM 593 CG1 ILE A 41 2.586 -2.470 2.175 1.00 0.00 C ATOM 594 CG2 ILE A 41 1.524 -1.460 4.210 1.00 0.00 C ATOM 595 CD1 ILE A 41 3.749 -2.928 3.027 1.00 0.00 C ATOM 0 H ILE A 41 1.204 -0.096 0.139 1.00 0.00 H new ATOM 0 HA ILE A 41 -0.145 -1.770 2.125 1.00 0.00 H new ATOM 0 HB ILE A 41 2.514 -0.386 2.657 1.00 0.00 H new ATOM 0 HG12 ILE A 41 1.877 -3.291 2.070 1.00 0.00 H new ATOM 0 HG13 ILE A 41 2.950 -2.234 1.175 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.441 -1.655 4.766 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.044 -0.565 4.605 1.00 0.00 H new ATOM 0 HG23 ILE A 41 0.849 -2.310 4.313 1.00 0.00 H new ATOM 0 HD11 ILE A 41 4.219 -3.796 2.565 1.00 0.00 H new ATOM 0 HD12 ILE A 41 4.478 -2.122 3.111 1.00 0.00 H new ATOM 0 HD13 ILE A 41 3.389 -3.196 4.020 1.00 0.00 H new ATOM 607 N CYS A 42 -0.909 0.300 3.371 1.00 0.00 N ATOM 608 CA CYS A 42 -1.549 1.500 3.896 1.00 0.00 C ATOM 609 C CYS A 42 -0.561 2.332 4.709 1.00 0.00 C ATOM 610 O CYS A 42 0.146 1.809 5.571 1.00 0.00 O ATOM 611 CB CYS A 42 -2.751 1.125 4.765 1.00 0.00 C ATOM 612 SG CYS A 42 -2.307 0.386 6.370 1.00 0.00 S ATOM 0 H CYS A 42 -1.204 -0.566 3.822 1.00 0.00 H new ATOM 0 HA CYS A 42 -1.892 2.097 3.051 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -3.351 2.018 4.942 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -3.378 0.423 4.215 1.00 0.00 H new ATOM 617 N ARG A 43 -0.517 3.630 4.428 1.00 0.00 N ATOM 618 CA ARG A 43 0.384 4.535 5.131 1.00 0.00 C ATOM 619 C ARG A 43 0.495 4.155 6.605 1.00 0.00 C ATOM 620 O ARG A 43 1.554 4.298 7.215 1.00 0.00 O ATOM 621 CB ARG A 43 -0.104 5.979 5.001 1.00 0.00 C ATOM 622 CG ARG A 43 -1.197 6.344 5.992 1.00 0.00 C ATOM 623 CD ARG A 43 -0.620 6.958 7.257 1.00 0.00 C ATOM 624 NE ARG A 43 -1.618 7.065 8.318 1.00 0.00 N ATOM 625 CZ ARG A 43 -1.376 7.617 9.502 1.00 0.00 C ATOM 626 NH1 ARG A 43 -0.175 8.110 9.774 1.00 0.00 N ATOM 627 NH2 ARG A 43 -2.336 7.678 10.416 1.00 0.00 N ATOM 0 H ARG A 43 -1.095 4.079 3.718 1.00 0.00 H new ATOM 0 HA ARG A 43 1.371 4.450 4.676 1.00 0.00 H new ATOM 0 HB2 ARG A 43 0.741 6.653 5.141 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -0.475 6.138 3.989 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -1.890 7.047 5.529 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -1.770 5.453 6.248 1.00 0.00 H new ATOM 0 HD2 ARG A 43 0.216 6.352 7.606 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -0.223 7.948 7.031 1.00 0.00 H new ATOM 0 HE ARG A 43 -2.552 6.696 8.140 1.00 0.00 H new ATOM 0 HH11 ARG A 43 0.565 8.066 9.073 1.00 0.00 H new ATOM 0 HH12 ARG A 43 0.008 8.533 10.684 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -3.261 7.301 10.210 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -2.149 8.102 11.325 1.00 0.00 H new ATOM 641 N GLN A 44 -0.607 3.670 7.170 1.00 0.00 N ATOM 642 CA GLN A 44 -0.633 3.271 8.572 1.00 0.00 C ATOM 643 C GLN A 44 0.436 2.223 8.860 1.00 0.00 C ATOM 644 O GLN A 44 1.215 2.358 9.804 1.00 0.00 O ATOM 645 CB GLN A 44 -2.013 2.724 8.943 1.00 0.00 C ATOM 646 CG GLN A 44 -1.980 1.699 10.064 1.00 0.00 C ATOM 647 CD GLN A 44 -3.362 1.359 10.585 1.00 0.00 C ATOM 648 OE1 GLN A 44 -3.703 1.672 11.727 1.00 0.00 O ATOM 649 NE2 GLN A 44 -4.169 0.715 9.749 1.00 0.00 N ATOM 0 H GLN A 44 -1.492 3.544 6.679 1.00 0.00 H new ATOM 0 HA GLN A 44 -0.424 4.153 9.178 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -2.656 3.553 9.239 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -2.464 2.270 8.060 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -1.497 0.790 9.706 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -1.371 2.082 10.883 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -3.846 0.475 8.812 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -5.112 0.461 10.044 1.00 0.00 H new ATOM 658 N CYS A 45 0.469 1.177 8.040 1.00 0.00 N ATOM 659 CA CYS A 45 1.442 0.104 8.206 1.00 0.00 C ATOM 660 C CYS A 45 2.843 0.577 7.828 1.00 0.00 C ATOM 661 O CYS A 45 3.824 0.238 8.490 1.00 0.00 O ATOM 662 CB CYS A 45 1.051 -1.104 7.352 1.00 0.00 C ATOM 663 SG CYS A 45 -0.321 -2.086 8.037 1.00 0.00 S ATOM 0 H CYS A 45 -0.168 1.050 7.253 1.00 0.00 H new ATOM 0 HA CYS A 45 1.448 -0.189 9.256 1.00 0.00 H new ATOM 0 HB2 CYS A 45 0.774 -0.757 6.357 1.00 0.00 H new ATOM 0 HB3 CYS A 45 1.922 -1.749 7.234 1.00 0.00 H new ATOM 668 N LEU A 46 2.927 1.362 6.759 1.00 0.00 N ATOM 669 CA LEU A 46 4.208 1.882 6.292 1.00 0.00 C ATOM 670 C LEU A 46 4.852 2.772 7.350 1.00 0.00 C ATOM 671 O LEU A 46 6.061 2.713 7.571 1.00 0.00 O ATOM 672 CB LEU A 46 4.018 2.669 4.994 1.00 0.00 C ATOM 673 CG LEU A 46 5.297 3.104 4.280 1.00 0.00 C ATOM 674 CD1 LEU A 46 5.752 2.034 3.300 1.00 0.00 C ATOM 675 CD2 LEU A 46 5.084 4.430 3.563 1.00 0.00 C ATOM 0 H LEU A 46 2.125 1.652 6.200 1.00 0.00 H new ATOM 0 HA LEU A 46 4.869 1.036 6.104 1.00 0.00 H new ATOM 0 HB2 LEU A 46 3.431 2.060 4.306 1.00 0.00 H new ATOM 0 HB3 LEU A 46 3.429 3.559 5.215 1.00 0.00 H new ATOM 0 HG LEU A 46 6.079 3.239 5.028 1.00 0.00 H new ATOM 0 HD11 LEU A 46 6.664 2.362 2.801 1.00 0.00 H new ATOM 0 HD12 LEU A 46 5.946 1.106 3.838 1.00 0.00 H new ATOM 0 HD13 LEU A 46 4.972 1.866 2.557 1.00 0.00 H new ATOM 0 HD21 LEU A 46 6.005 4.724 3.060 1.00 0.00 H new ATOM 0 HD22 LEU A 46 4.288 4.322 2.827 1.00 0.00 H new ATOM 0 HD23 LEU A 46 4.806 5.195 4.288 1.00 0.00 H new ATOM 687 N GLU A 47 4.036 3.595 8.001 1.00 0.00 N ATOM 688 CA GLU A 47 4.528 4.496 9.037 1.00 0.00 C ATOM 689 C GLU A 47 5.264 3.722 10.127 1.00 0.00 C ATOM 690 O GLU A 47 6.394 4.055 10.486 1.00 0.00 O ATOM 691 CB GLU A 47 3.369 5.284 9.650 1.00 0.00 C ATOM 692 CG GLU A 47 2.968 6.506 8.840 1.00 0.00 C ATOM 693 CD GLU A 47 3.992 7.621 8.921 1.00 0.00 C ATOM 694 OE1 GLU A 47 5.098 7.451 8.367 1.00 0.00 O ATOM 695 OE2 GLU A 47 3.688 8.664 9.537 1.00 0.00 O ATOM 0 H GLU A 47 3.032 3.657 7.830 1.00 0.00 H new ATOM 0 HA GLU A 47 5.228 5.192 8.575 1.00 0.00 H new ATOM 0 HB2 GLU A 47 2.506 4.626 9.750 1.00 0.00 H new ATOM 0 HB3 GLU A 47 3.647 5.600 10.655 1.00 0.00 H new ATOM 0 HG2 GLU A 47 2.832 6.218 7.798 1.00 0.00 H new ATOM 0 HG3 GLU A 47 2.006 6.874 9.197 1.00 0.00 H new ATOM 702 N LYS A 48 4.615 2.688 10.650 1.00 0.00 N ATOM 703 CA LYS A 48 5.206 1.864 11.699 1.00 0.00 C ATOM 704 C LYS A 48 6.602 1.396 11.301 1.00 0.00 C ATOM 705 O LYS A 48 7.501 1.308 12.139 1.00 0.00 O ATOM 706 CB LYS A 48 4.315 0.655 11.990 1.00 0.00 C ATOM 707 CG LYS A 48 3.252 0.921 13.042 1.00 0.00 C ATOM 708 CD LYS A 48 1.968 1.442 12.418 1.00 0.00 C ATOM 709 CE LYS A 48 0.751 1.057 13.244 1.00 0.00 C ATOM 710 NZ LYS A 48 0.442 -0.396 13.134 1.00 0.00 N ATOM 0 H LYS A 48 3.679 2.400 10.365 1.00 0.00 H new ATOM 0 HA LYS A 48 5.288 2.472 12.600 1.00 0.00 H new ATOM 0 HB2 LYS A 48 3.829 0.342 11.066 1.00 0.00 H new ATOM 0 HB3 LYS A 48 4.940 -0.175 12.319 1.00 0.00 H new ATOM 0 HG2 LYS A 48 3.044 0.003 13.591 1.00 0.00 H new ATOM 0 HG3 LYS A 48 3.627 1.646 13.764 1.00 0.00 H new ATOM 0 HD2 LYS A 48 2.020 2.527 12.329 1.00 0.00 H new ATOM 0 HD3 LYS A 48 1.865 1.044 11.409 1.00 0.00 H new ATOM 0 HE2 LYS A 48 0.926 1.313 14.289 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -0.110 1.637 12.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -0.536 -0.567 13.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 0.550 -0.700 12.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 1.096 -0.936 13.736 1.00 0.00 H new ATOM 724 N LEU A 49 6.779 1.100 10.019 1.00 0.00 N ATOM 725 CA LEU A 49 8.067 0.642 9.509 1.00 0.00 C ATOM 726 C LEU A 49 9.051 1.803 9.395 1.00 0.00 C ATOM 727 O LEU A 49 10.153 1.752 9.943 1.00 0.00 O ATOM 728 CB LEU A 49 7.890 -0.027 8.145 1.00 0.00 C ATOM 729 CG LEU A 49 7.026 -1.288 8.123 1.00 0.00 C ATOM 730 CD1 LEU A 49 6.822 -1.771 6.696 1.00 0.00 C ATOM 731 CD2 LEU A 49 7.656 -2.381 8.973 1.00 0.00 C ATOM 0 H LEU A 49 6.047 1.169 9.312 1.00 0.00 H new ATOM 0 HA LEU A 49 8.471 -0.085 10.213 1.00 0.00 H new ATOM 0 HB2 LEU A 49 7.454 0.700 7.460 1.00 0.00 H new ATOM 0 HB3 LEU A 49 8.876 -0.280 7.756 1.00 0.00 H new ATOM 0 HG LEU A 49 6.051 -1.044 8.545 1.00 0.00 H new ATOM 0 HD11 LEU A 49 6.205 -2.669 6.701 1.00 0.00 H new ATOM 0 HD12 LEU A 49 6.326 -0.993 6.116 1.00 0.00 H new ATOM 0 HD13 LEU A 49 7.789 -1.998 6.247 1.00 0.00 H new ATOM 0 HD21 LEU A 49 7.027 -3.271 8.946 1.00 0.00 H new ATOM 0 HD22 LEU A 49 8.644 -2.622 8.581 1.00 0.00 H new ATOM 0 HD23 LEU A 49 7.749 -2.034 10.002 1.00 0.00 H new ATOM 743 N LEU A 50 8.645 2.847 8.682 1.00 0.00 N ATOM 744 CA LEU A 50 9.490 4.023 8.498 1.00 0.00 C ATOM 745 C LEU A 50 9.979 4.557 9.841 1.00 0.00 C ATOM 746 O LEU A 50 11.103 5.045 9.953 1.00 0.00 O ATOM 747 CB LEU A 50 8.722 5.115 7.751 1.00 0.00 C ATOM 748 CG LEU A 50 9.562 6.045 6.874 1.00 0.00 C ATOM 749 CD1 LEU A 50 8.682 6.761 5.862 1.00 0.00 C ATOM 750 CD2 LEU A 50 10.317 7.049 7.733 1.00 0.00 C ATOM 0 H LEU A 50 7.737 2.904 8.222 1.00 0.00 H new ATOM 0 HA LEU A 50 10.357 3.728 7.907 1.00 0.00 H new ATOM 0 HB2 LEU A 50 7.969 4.638 7.123 1.00 0.00 H new ATOM 0 HB3 LEU A 50 8.189 5.722 8.483 1.00 0.00 H new ATOM 0 HG LEU A 50 10.290 5.443 6.330 1.00 0.00 H new ATOM 0 HD11 LEU A 50 9.296 7.418 5.247 1.00 0.00 H new ATOM 0 HD12 LEU A 50 8.187 6.027 5.226 1.00 0.00 H new ATOM 0 HD13 LEU A 50 7.931 7.352 6.386 1.00 0.00 H new ATOM 0 HD21 LEU A 50 10.909 7.703 7.093 1.00 0.00 H new ATOM 0 HD22 LEU A 50 9.606 7.647 8.304 1.00 0.00 H new ATOM 0 HD23 LEU A 50 10.977 6.518 8.419 1.00 0.00 H new ATOM 762 N ALA A 51 9.128 4.459 10.857 1.00 0.00 N ATOM 763 CA ALA A 51 9.476 4.928 12.192 1.00 0.00 C ATOM 764 C ALA A 51 10.826 4.375 12.634 1.00 0.00 C ATOM 765 O ALA A 51 11.811 5.109 12.719 1.00 0.00 O ATOM 766 CB ALA A 51 8.393 4.538 13.187 1.00 0.00 C ATOM 0 H ALA A 51 8.193 4.059 10.781 1.00 0.00 H new ATOM 0 HA ALA A 51 9.551 6.015 12.160 1.00 0.00 H new ATOM 0 HB1 ALA A 51 8.666 4.895 14.180 1.00 0.00 H new ATOM 0 HB2 ALA A 51 7.446 4.987 12.888 1.00 0.00 H new ATOM 0 HB3 ALA A 51 8.291 3.453 13.207 1.00 0.00 H new ATOM 772 N SER A 52 10.866 3.077 12.915 1.00 0.00 N ATOM 773 CA SER A 52 12.095 2.426 13.353 1.00 0.00 C ATOM 774 C SER A 52 13.106 2.352 12.213 1.00 0.00 C ATOM 775 O SER A 52 14.303 2.561 12.416 1.00 0.00 O ATOM 776 CB SER A 52 11.795 1.020 13.876 1.00 0.00 C ATOM 777 OG SER A 52 12.839 0.554 14.713 1.00 0.00 O ATOM 0 H SER A 52 10.061 2.455 12.847 1.00 0.00 H new ATOM 0 HA SER A 52 12.525 3.021 14.159 1.00 0.00 H new ATOM 0 HB2 SER A 52 10.856 1.027 14.430 1.00 0.00 H new ATOM 0 HB3 SER A 52 11.665 0.337 13.037 1.00 0.00 H new ATOM 0 HG SER A 52 12.623 -0.346 15.036 1.00 0.00 H new ATOM 783 N SER A 53 12.617 2.053 11.015 1.00 0.00 N ATOM 784 CA SER A 53 13.477 1.947 9.842 1.00 0.00 C ATOM 785 C SER A 53 14.348 3.191 9.693 1.00 0.00 C ATOM 786 O SER A 53 14.304 4.096 10.527 1.00 0.00 O ATOM 787 CB SER A 53 12.634 1.748 8.581 1.00 0.00 C ATOM 788 OG SER A 53 12.081 0.444 8.538 1.00 0.00 O ATOM 0 H SER A 53 11.629 1.880 10.830 1.00 0.00 H new ATOM 0 HA SER A 53 14.127 1.082 9.976 1.00 0.00 H new ATOM 0 HB2 SER A 53 11.833 2.487 8.555 1.00 0.00 H new ATOM 0 HB3 SER A 53 13.250 1.914 7.698 1.00 0.00 H new ATOM 0 HG SER A 53 11.222 0.437 9.009 1.00 0.00 H new ATOM 794 N ILE A 54 15.139 3.228 8.626 1.00 0.00 N ATOM 795 CA ILE A 54 16.020 4.360 8.367 1.00 0.00 C ATOM 796 C ILE A 54 16.382 4.447 6.889 1.00 0.00 C ATOM 797 O ILE A 54 16.361 3.446 6.174 1.00 0.00 O ATOM 798 CB ILE A 54 17.314 4.268 9.197 1.00 0.00 C ATOM 799 CG1 ILE A 54 18.090 5.584 9.119 1.00 0.00 C ATOM 800 CG2 ILE A 54 18.173 3.110 8.712 1.00 0.00 C ATOM 801 CD1 ILE A 54 19.092 5.761 10.238 1.00 0.00 C ATOM 0 H ILE A 54 15.188 2.487 7.927 1.00 0.00 H new ATOM 0 HA ILE A 54 15.475 5.258 8.659 1.00 0.00 H new ATOM 0 HB ILE A 54 17.048 4.086 10.238 1.00 0.00 H new ATOM 0 HG12 ILE A 54 18.612 5.633 8.163 1.00 0.00 H new ATOM 0 HG13 ILE A 54 17.384 6.414 9.139 1.00 0.00 H new ATOM 0 HG21 ILE A 54 19.084 3.058 9.308 1.00 0.00 H new ATOM 0 HG22 ILE A 54 17.618 2.177 8.815 1.00 0.00 H new ATOM 0 HG23 ILE A 54 18.433 3.264 7.665 1.00 0.00 H new ATOM 0 HD11 ILE A 54 19.605 6.715 10.119 1.00 0.00 H new ATOM 0 HD12 ILE A 54 18.573 5.745 11.197 1.00 0.00 H new ATOM 0 HD13 ILE A 54 19.820 4.951 10.206 1.00 0.00 H new ATOM 813 N ASN A 55 16.717 5.651 6.437 1.00 0.00 N ATOM 814 CA ASN A 55 17.087 5.870 5.043 1.00 0.00 C ATOM 815 C ASN A 55 16.268 4.975 4.117 1.00 0.00 C ATOM 816 O ASN A 55 16.760 4.512 3.090 1.00 0.00 O ATOM 817 CB ASN A 55 18.579 5.601 4.841 1.00 0.00 C ATOM 818 CG ASN A 55 19.450 6.657 5.494 1.00 0.00 C ATOM 819 OD1 ASN A 55 19.300 7.850 5.231 1.00 0.00 O ATOM 820 ND2 ASN A 55 20.367 6.221 6.350 1.00 0.00 N ATOM 0 H ASN A 55 16.740 6.490 7.016 1.00 0.00 H new ATOM 0 HA ASN A 55 16.876 6.910 4.796 1.00 0.00 H new ATOM 0 HB2 ASN A 55 18.828 4.623 5.253 1.00 0.00 H new ATOM 0 HB3 ASN A 55 18.797 5.563 3.774 1.00 0.00 H new ATOM 0 HD21 ASN A 55 20.983 6.885 6.820 1.00 0.00 H new ATOM 0 HD22 ASN A 55 20.456 5.222 6.538 1.00 0.00 H new ATOM 827 N GLY A 56 15.013 4.738 4.489 1.00 0.00 N ATOM 828 CA GLY A 56 14.146 3.901 3.681 1.00 0.00 C ATOM 829 C GLY A 56 13.290 2.973 4.520 1.00 0.00 C ATOM 830 O GLY A 56 13.630 2.667 5.663 1.00 0.00 O ATOM 0 H GLY A 56 14.582 5.111 5.335 1.00 0.00 H new ATOM 0 HA2 GLY A 56 13.501 4.533 3.071 1.00 0.00 H new ATOM 0 HA3 GLY A 56 14.753 3.310 2.995 1.00 0.00 H new ATOM 834 N VAL A 57 12.175 2.523 3.953 1.00 0.00 N ATOM 835 CA VAL A 57 11.268 1.625 4.656 1.00 0.00 C ATOM 836 C VAL A 57 11.466 0.182 4.206 1.00 0.00 C ATOM 837 O VAL A 57 11.539 -0.102 3.010 1.00 0.00 O ATOM 838 CB VAL A 57 9.797 2.024 4.433 1.00 0.00 C ATOM 839 CG1 VAL A 57 8.867 1.059 5.151 1.00 0.00 C ATOM 840 CG2 VAL A 57 9.558 3.453 4.896 1.00 0.00 C ATOM 0 H VAL A 57 11.879 2.766 3.008 1.00 0.00 H new ATOM 0 HA VAL A 57 11.501 1.707 5.718 1.00 0.00 H new ATOM 0 HB VAL A 57 9.581 1.971 3.366 1.00 0.00 H new ATOM 0 HG11 VAL A 57 7.832 1.357 4.982 1.00 0.00 H new ATOM 0 HG12 VAL A 57 9.022 0.051 4.767 1.00 0.00 H new ATOM 0 HG13 VAL A 57 9.079 1.076 6.220 1.00 0.00 H new ATOM 0 HG21 VAL A 57 8.514 3.719 4.731 1.00 0.00 H new ATOM 0 HG22 VAL A 57 9.790 3.535 5.958 1.00 0.00 H new ATOM 0 HG23 VAL A 57 10.198 4.130 4.331 1.00 0.00 H new ATOM 850 N ARG A 58 11.551 -0.727 5.172 1.00 0.00 N ATOM 851 CA ARG A 58 11.740 -2.142 4.875 1.00 0.00 C ATOM 852 C ARG A 58 10.399 -2.835 4.652 1.00 0.00 C ATOM 853 O ARG A 58 9.509 -2.777 5.501 1.00 0.00 O ATOM 854 CB ARG A 58 12.498 -2.827 6.014 1.00 0.00 C ATOM 855 CG ARG A 58 12.644 -4.329 5.831 1.00 0.00 C ATOM 856 CD ARG A 58 13.665 -4.911 6.796 1.00 0.00 C ATOM 857 NE ARG A 58 15.021 -4.857 6.256 1.00 0.00 N ATOM 858 CZ ARG A 58 16.037 -5.554 6.751 1.00 0.00 C ATOM 859 NH1 ARG A 58 15.852 -6.355 7.792 1.00 0.00 N ATOM 860 NH2 ARG A 58 17.242 -5.452 6.205 1.00 0.00 N ATOM 0 H ARG A 58 11.492 -0.509 6.167 1.00 0.00 H new ATOM 0 HA ARG A 58 12.326 -2.220 3.959 1.00 0.00 H new ATOM 0 HB2 ARG A 58 13.489 -2.382 6.099 1.00 0.00 H new ATOM 0 HB3 ARG A 58 11.980 -2.632 6.953 1.00 0.00 H new ATOM 0 HG2 ARG A 58 11.679 -4.811 5.986 1.00 0.00 H new ATOM 0 HG3 ARG A 58 12.946 -4.544 4.806 1.00 0.00 H new ATOM 0 HD2 ARG A 58 13.628 -4.363 7.737 1.00 0.00 H new ATOM 0 HD3 ARG A 58 13.404 -5.946 7.019 1.00 0.00 H new ATOM 0 HE ARG A 58 15.197 -4.251 5.455 1.00 0.00 H new ATOM 0 HH11 ARG A 58 14.927 -6.437 8.215 1.00 0.00 H new ATOM 0 HH12 ARG A 58 16.634 -6.889 8.170 1.00 0.00 H new ATOM 0 HH21 ARG A 58 17.389 -4.838 5.404 1.00 0.00 H new ATOM 0 HH22 ARG A 58 18.022 -5.988 6.586 1.00 0.00 H new ATOM 874 N CYS A 59 10.261 -3.491 3.504 1.00 0.00 N ATOM 875 CA CYS A 59 9.030 -4.195 3.169 1.00 0.00 C ATOM 876 C CYS A 59 9.020 -5.594 3.777 1.00 0.00 C ATOM 877 O CYS A 59 9.938 -6.391 3.580 1.00 0.00 O ATOM 878 CB CYS A 59 8.867 -4.286 1.650 1.00 0.00 C ATOM 879 SG CYS A 59 7.211 -4.817 1.110 1.00 0.00 S ATOM 0 H CYS A 59 10.987 -3.549 2.790 1.00 0.00 H new ATOM 0 HA CYS A 59 8.195 -3.632 3.585 1.00 0.00 H new ATOM 0 HB2 CYS A 59 9.085 -3.311 1.213 1.00 0.00 H new ATOM 0 HB3 CYS A 59 9.607 -4.984 1.257 1.00 0.00 H new ATOM 884 N PRO A 60 7.956 -5.903 4.534 1.00 0.00 N ATOM 885 CA PRO A 60 7.800 -7.206 5.186 1.00 0.00 C ATOM 886 C PRO A 60 7.536 -8.327 4.186 1.00 0.00 C ATOM 887 O PRO A 60 7.310 -9.474 4.570 1.00 0.00 O ATOM 888 CB PRO A 60 6.586 -7.004 6.096 1.00 0.00 C ATOM 889 CG PRO A 60 5.810 -5.907 5.454 1.00 0.00 C ATOM 890 CD PRO A 60 6.825 -5.002 4.812 1.00 0.00 C ATOM 0 HA PRO A 60 8.703 -7.507 5.717 1.00 0.00 H new ATOM 0 HB2 PRO A 60 5.993 -7.915 6.173 1.00 0.00 H new ATOM 0 HB3 PRO A 60 6.890 -6.735 7.108 1.00 0.00 H new ATOM 0 HG2 PRO A 60 5.116 -6.302 4.713 1.00 0.00 H new ATOM 0 HG3 PRO A 60 5.216 -5.366 6.191 1.00 0.00 H new ATOM 0 HD2 PRO A 60 6.439 -4.548 3.899 1.00 0.00 H new ATOM 0 HD3 PRO A 60 7.114 -4.187 5.476 1.00 0.00 H new ATOM 898 N PHE A 61 7.565 -7.986 2.902 1.00 0.00 N ATOM 899 CA PHE A 61 7.328 -8.964 1.846 1.00 0.00 C ATOM 900 C PHE A 61 8.611 -9.251 1.072 1.00 0.00 C ATOM 901 O PHE A 61 9.116 -10.374 1.079 1.00 0.00 O ATOM 902 CB PHE A 61 6.244 -8.461 0.890 1.00 0.00 C ATOM 903 CG PHE A 61 4.962 -8.091 1.579 1.00 0.00 C ATOM 904 CD1 PHE A 61 4.333 -8.987 2.429 1.00 0.00 C ATOM 905 CD2 PHE A 61 4.385 -6.847 1.377 1.00 0.00 C ATOM 906 CE1 PHE A 61 3.153 -8.649 3.063 1.00 0.00 C ATOM 907 CE2 PHE A 61 3.205 -6.504 2.009 1.00 0.00 C ATOM 908 CZ PHE A 61 2.589 -7.405 2.854 1.00 0.00 C ATOM 0 H PHE A 61 7.750 -7.040 2.567 1.00 0.00 H new ATOM 0 HA PHE A 61 6.991 -9.890 2.312 1.00 0.00 H new ATOM 0 HB2 PHE A 61 6.621 -7.592 0.351 1.00 0.00 H new ATOM 0 HB3 PHE A 61 6.039 -9.233 0.148 1.00 0.00 H new ATOM 0 HD1 PHE A 61 4.770 -9.960 2.598 1.00 0.00 H new ATOM 0 HD2 PHE A 61 4.863 -6.138 0.718 1.00 0.00 H new ATOM 0 HE1 PHE A 61 2.672 -9.357 3.722 1.00 0.00 H new ATOM 0 HE2 PHE A 61 2.765 -5.532 1.842 1.00 0.00 H new ATOM 0 HZ PHE A 61 1.668 -7.138 3.351 1.00 0.00 H new ATOM 918 N CYS A 62 9.134 -8.228 0.405 1.00 0.00 N ATOM 919 CA CYS A 62 10.357 -8.368 -0.375 1.00 0.00 C ATOM 920 C CYS A 62 11.563 -7.856 0.407 1.00 0.00 C ATOM 921 O CYS A 62 12.705 -8.205 0.107 1.00 0.00 O ATOM 922 CB CYS A 62 10.234 -7.608 -1.698 1.00 0.00 C ATOM 923 SG CYS A 62 9.821 -5.844 -1.506 1.00 0.00 S ATOM 0 H CYS A 62 8.729 -7.292 0.389 1.00 0.00 H new ATOM 0 HA CYS A 62 10.504 -9.427 -0.584 1.00 0.00 H new ATOM 0 HB2 CYS A 62 11.175 -7.693 -2.242 1.00 0.00 H new ATOM 0 HB3 CYS A 62 9.468 -8.085 -2.309 1.00 0.00 H new ATOM 928 N SER A 63 11.301 -7.027 1.412 1.00 0.00 N ATOM 929 CA SER A 63 12.364 -6.464 2.236 1.00 0.00 C ATOM 930 C SER A 63 13.252 -5.532 1.416 1.00 0.00 C ATOM 931 O SER A 63 14.477 -5.563 1.530 1.00 0.00 O ATOM 932 CB SER A 63 13.209 -7.582 2.851 1.00 0.00 C ATOM 933 OG SER A 63 14.255 -7.969 1.977 1.00 0.00 O ATOM 0 H SER A 63 10.361 -6.730 1.675 1.00 0.00 H new ATOM 0 HA SER A 63 11.902 -5.886 3.036 1.00 0.00 H new ATOM 0 HB2 SER A 63 13.629 -7.246 3.799 1.00 0.00 H new ATOM 0 HB3 SER A 63 12.576 -8.442 3.070 1.00 0.00 H new ATOM 0 HG SER A 63 13.873 -8.338 1.153 1.00 0.00 H new ATOM 939 N LYS A 64 12.624 -4.704 0.588 1.00 0.00 N ATOM 940 CA LYS A 64 13.354 -3.762 -0.252 1.00 0.00 C ATOM 941 C LYS A 64 13.277 -2.350 0.320 1.00 0.00 C ATOM 942 O LYS A 64 12.273 -1.657 0.153 1.00 0.00 O ATOM 943 CB LYS A 64 12.795 -3.778 -1.677 1.00 0.00 C ATOM 944 CG LYS A 64 13.323 -4.922 -2.525 1.00 0.00 C ATOM 945 CD LYS A 64 12.769 -4.870 -3.939 1.00 0.00 C ATOM 946 CE LYS A 64 13.483 -3.823 -4.779 1.00 0.00 C ATOM 947 NZ LYS A 64 12.813 -2.496 -4.699 1.00 0.00 N ATOM 0 H LYS A 64 11.610 -4.666 0.481 1.00 0.00 H new ATOM 0 HA LYS A 64 14.400 -4.069 -0.275 1.00 0.00 H new ATOM 0 HB2 LYS A 64 11.708 -3.843 -1.631 1.00 0.00 H new ATOM 0 HB3 LYS A 64 13.038 -2.834 -2.164 1.00 0.00 H new ATOM 0 HG2 LYS A 64 14.412 -4.879 -2.558 1.00 0.00 H new ATOM 0 HG3 LYS A 64 13.055 -5.872 -2.063 1.00 0.00 H new ATOM 0 HD2 LYS A 64 12.874 -5.848 -4.408 1.00 0.00 H new ATOM 0 HD3 LYS A 64 11.703 -4.646 -3.905 1.00 0.00 H new ATOM 0 HE2 LYS A 64 14.515 -3.729 -4.442 1.00 0.00 H new ATOM 0 HE3 LYS A 64 13.515 -4.151 -5.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 12.479 -2.218 -5.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 12.003 -2.555 -4.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 13.488 -1.787 -4.348 1.00 0.00 H new ATOM 961 N ILE A 65 14.343 -1.931 0.993 1.00 0.00 N ATOM 962 CA ILE A 65 14.395 -0.601 1.587 1.00 0.00 C ATOM 963 C ILE A 65 13.899 0.458 0.609 1.00 0.00 C ATOM 964 O ILE A 65 14.457 0.629 -0.476 1.00 0.00 O ATOM 965 CB ILE A 65 15.824 -0.240 2.034 1.00 0.00 C ATOM 966 CG1 ILE A 65 16.357 -1.290 3.011 1.00 0.00 C ATOM 967 CG2 ILE A 65 15.848 1.142 2.670 1.00 0.00 C ATOM 968 CD1 ILE A 65 15.551 -1.392 4.288 1.00 0.00 C ATOM 0 H ILE A 65 15.182 -2.493 1.141 1.00 0.00 H new ATOM 0 HA ILE A 65 13.743 -0.620 2.460 1.00 0.00 H new ATOM 0 HB ILE A 65 16.470 -0.226 1.156 1.00 0.00 H new ATOM 0 HG12 ILE A 65 16.366 -2.262 2.518 1.00 0.00 H new ATOM 0 HG13 ILE A 65 17.390 -1.050 3.261 1.00 0.00 H new ATOM 0 HG21 ILE A 65 16.865 1.382 2.980 1.00 0.00 H new ATOM 0 HG22 ILE A 65 15.505 1.882 1.946 1.00 0.00 H new ATOM 0 HG23 ILE A 65 15.191 1.154 3.540 1.00 0.00 H new ATOM 0 HD11 ILE A 65 15.986 -2.156 4.933 1.00 0.00 H new ATOM 0 HD12 ILE A 65 15.563 -0.432 4.804 1.00 0.00 H new ATOM 0 HD13 ILE A 65 14.523 -1.662 4.049 1.00 0.00 H new ATOM 980 N THR A 66 12.846 1.170 0.999 1.00 0.00 N ATOM 981 CA THR A 66 12.273 2.213 0.158 1.00 0.00 C ATOM 982 C THR A 66 12.829 3.584 0.527 1.00 0.00 C ATOM 983 O THR A 66 12.222 4.320 1.305 1.00 0.00 O ATOM 984 CB THR A 66 10.737 2.246 0.271 1.00 0.00 C ATOM 985 OG1 THR A 66 10.211 0.917 0.192 1.00 0.00 O ATOM 986 CG2 THR A 66 10.132 3.103 -0.831 1.00 0.00 C ATOM 0 H THR A 66 12.372 1.043 1.893 1.00 0.00 H new ATOM 0 HA THR A 66 12.549 1.977 -0.870 1.00 0.00 H new ATOM 0 HB THR A 66 10.475 2.683 1.235 1.00 0.00 H new ATOM 0 HG1 THR A 66 9.721 0.710 1.015 1.00 0.00 H new ATOM 0 HG21 THR A 66 9.047 3.111 -0.731 1.00 0.00 H new ATOM 0 HG22 THR A 66 10.512 4.121 -0.750 1.00 0.00 H new ATOM 0 HG23 THR A 66 10.404 2.691 -1.803 1.00 0.00 H new ATOM 994 N ARG A 67 13.984 3.920 -0.036 1.00 0.00 N ATOM 995 CA ARG A 67 14.622 5.203 0.235 1.00 0.00 C ATOM 996 C ARG A 67 13.642 6.353 0.018 1.00 0.00 C ATOM 997 O ARG A 67 13.568 6.920 -1.073 1.00 0.00 O ATOM 998 CB ARG A 67 15.848 5.387 -0.661 1.00 0.00 C ATOM 999 CG ARG A 67 17.088 4.672 -0.150 1.00 0.00 C ATOM 1000 CD ARG A 67 17.926 5.578 0.740 1.00 0.00 C ATOM 1001 NE ARG A 67 18.666 6.571 -0.033 1.00 0.00 N ATOM 1002 CZ ARG A 67 19.752 7.191 0.415 1.00 0.00 C ATOM 1003 NH1 ARG A 67 20.221 6.921 1.625 1.00 0.00 N ATOM 1004 NH2 ARG A 67 20.371 8.084 -0.348 1.00 0.00 N ATOM 0 H ARG A 67 14.498 3.322 -0.683 1.00 0.00 H new ATOM 0 HA ARG A 67 14.939 5.210 1.278 1.00 0.00 H new ATOM 0 HB2 ARG A 67 15.615 5.022 -1.661 1.00 0.00 H new ATOM 0 HB3 ARG A 67 16.064 6.451 -0.752 1.00 0.00 H new ATOM 0 HG2 ARG A 67 16.793 3.783 0.408 1.00 0.00 H new ATOM 0 HG3 ARG A 67 17.688 4.333 -0.994 1.00 0.00 H new ATOM 0 HD2 ARG A 67 17.277 6.085 1.455 1.00 0.00 H new ATOM 0 HD3 ARG A 67 18.625 4.973 1.317 1.00 0.00 H new ATOM 0 HE ARG A 67 18.331 6.801 -0.968 1.00 0.00 H new ATOM 0 HH11 ARG A 67 19.748 6.236 2.214 1.00 0.00 H new ATOM 0 HH12 ARG A 67 21.055 7.398 1.967 1.00 0.00 H new ATOM 0 HH21 ARG A 67 20.013 8.295 -1.279 1.00 0.00 H new ATOM 0 HH22 ARG A 67 21.205 8.559 -0.003 1.00 0.00 H new ATOM 1018 N ILE A 68 12.894 6.691 1.062 1.00 0.00 N ATOM 1019 CA ILE A 68 11.921 7.774 0.985 1.00 0.00 C ATOM 1020 C ILE A 68 11.753 8.459 2.337 1.00 0.00 C ATOM 1021 O ILE A 68 11.140 7.911 3.253 1.00 0.00 O ATOM 1022 CB ILE A 68 10.548 7.263 0.508 1.00 0.00 C ATOM 1023 CG1 ILE A 68 10.145 6.011 1.289 1.00 0.00 C ATOM 1024 CG2 ILE A 68 10.581 6.975 -0.986 1.00 0.00 C ATOM 1025 CD1 ILE A 68 8.701 6.018 1.739 1.00 0.00 C ATOM 0 H ILE A 68 12.943 6.231 1.971 1.00 0.00 H new ATOM 0 HA ILE A 68 12.305 8.493 0.261 1.00 0.00 H new ATOM 0 HB ILE A 68 9.804 8.038 0.693 1.00 0.00 H new ATOM 0 HG12 ILE A 68 10.319 5.133 0.667 1.00 0.00 H new ATOM 0 HG13 ILE A 68 10.789 5.915 2.163 1.00 0.00 H new ATOM 0 HG21 ILE A 68 9.604 6.615 -1.309 1.00 0.00 H new ATOM 0 HG22 ILE A 68 10.828 7.888 -1.527 1.00 0.00 H new ATOM 0 HG23 ILE A 68 11.335 6.215 -1.194 1.00 0.00 H new ATOM 0 HD11 ILE A 68 8.486 5.100 2.286 1.00 0.00 H new ATOM 0 HD12 ILE A 68 8.526 6.877 2.387 1.00 0.00 H new ATOM 0 HD13 ILE A 68 8.049 6.082 0.868 1.00 0.00 H new ATOM 1037 N THR A 69 12.302 9.665 2.455 1.00 0.00 N ATOM 1038 CA THR A 69 12.213 10.427 3.694 1.00 0.00 C ATOM 1039 C THR A 69 10.766 10.775 4.023 1.00 0.00 C ATOM 1040 O THR A 69 10.401 10.914 5.190 1.00 0.00 O ATOM 1041 CB THR A 69 13.036 11.726 3.615 1.00 0.00 C ATOM 1042 OG1 THR A 69 13.029 12.389 4.884 1.00 0.00 O ATOM 1043 CG2 THR A 69 12.479 12.656 2.548 1.00 0.00 C ATOM 0 H THR A 69 12.813 10.134 1.707 1.00 0.00 H new ATOM 0 HA THR A 69 12.620 9.795 4.483 1.00 0.00 H new ATOM 0 HB THR A 69 14.060 11.465 3.348 1.00 0.00 H new ATOM 0 HG1 THR A 69 13.556 13.213 4.825 1.00 0.00 H new ATOM 0 HG21 THR A 69 13.077 13.567 2.511 1.00 0.00 H new ATOM 0 HG22 THR A 69 12.514 12.159 1.578 1.00 0.00 H new ATOM 0 HG23 THR A 69 11.447 12.909 2.789 1.00 0.00 H new ATOM 1051 N SER A 70 9.945 10.915 2.986 1.00 0.00 N ATOM 1052 CA SER A 70 8.538 11.250 3.166 1.00 0.00 C ATOM 1053 C SER A 70 7.644 10.085 2.749 1.00 0.00 C ATOM 1054 O SER A 70 8.096 9.145 2.094 1.00 0.00 O ATOM 1055 CB SER A 70 8.181 12.497 2.354 1.00 0.00 C ATOM 1056 OG SER A 70 8.983 13.601 2.736 1.00 0.00 O ATOM 0 H SER A 70 10.231 10.802 2.013 1.00 0.00 H new ATOM 0 HA SER A 70 8.371 11.453 4.224 1.00 0.00 H new ATOM 0 HB2 SER A 70 8.318 12.295 1.292 1.00 0.00 H new ATOM 0 HB3 SER A 70 7.129 12.740 2.499 1.00 0.00 H new ATOM 0 HG SER A 70 8.737 14.385 2.202 1.00 0.00 H new ATOM 1062 N LEU A 71 6.375 10.155 3.134 1.00 0.00 N ATOM 1063 CA LEU A 71 5.416 9.107 2.801 1.00 0.00 C ATOM 1064 C LEU A 71 4.963 9.225 1.349 1.00 0.00 C ATOM 1065 O LEU A 71 4.611 8.230 0.714 1.00 0.00 O ATOM 1066 CB LEU A 71 4.205 9.181 3.733 1.00 0.00 C ATOM 1067 CG LEU A 71 4.490 8.972 5.220 1.00 0.00 C ATOM 1068 CD1 LEU A 71 3.239 9.235 6.045 1.00 0.00 C ATOM 1069 CD2 LEU A 71 5.009 7.564 5.471 1.00 0.00 C ATOM 0 H LEU A 71 5.986 10.926 3.677 1.00 0.00 H new ATOM 0 HA LEU A 71 5.908 8.143 2.932 1.00 0.00 H new ATOM 0 HB2 LEU A 71 3.734 10.156 3.607 1.00 0.00 H new ATOM 0 HB3 LEU A 71 3.480 8.433 3.414 1.00 0.00 H new ATOM 0 HG LEU A 71 5.259 9.681 5.526 1.00 0.00 H new ATOM 0 HD11 LEU A 71 3.461 9.081 7.101 1.00 0.00 H new ATOM 0 HD12 LEU A 71 2.910 10.262 5.889 1.00 0.00 H new ATOM 0 HD13 LEU A 71 2.449 8.550 5.737 1.00 0.00 H new ATOM 0 HD21 LEU A 71 5.206 7.433 6.535 1.00 0.00 H new ATOM 0 HD22 LEU A 71 4.262 6.838 5.149 1.00 0.00 H new ATOM 0 HD23 LEU A 71 5.930 7.410 4.909 1.00 0.00 H new ATOM 1081 N THR A 72 4.975 10.448 0.828 1.00 0.00 N ATOM 1082 CA THR A 72 4.566 10.696 -0.549 1.00 0.00 C ATOM 1083 C THR A 72 5.713 10.434 -1.518 1.00 0.00 C ATOM 1084 O THR A 72 5.491 10.184 -2.703 1.00 0.00 O ATOM 1085 CB THR A 72 4.071 12.143 -0.736 1.00 0.00 C ATOM 1086 OG1 THR A 72 3.681 12.355 -2.097 1.00 0.00 O ATOM 1087 CG2 THR A 72 5.154 13.139 -0.352 1.00 0.00 C ATOM 0 H THR A 72 5.264 11.282 1.339 1.00 0.00 H new ATOM 0 HA THR A 72 3.747 10.009 -0.765 1.00 0.00 H new ATOM 0 HB THR A 72 3.211 12.297 -0.084 1.00 0.00 H new ATOM 0 HG1 THR A 72 3.366 13.276 -2.207 1.00 0.00 H new ATOM 0 HG21 THR A 72 4.781 14.154 -0.492 1.00 0.00 H new ATOM 0 HG22 THR A 72 5.428 12.994 0.693 1.00 0.00 H new ATOM 0 HG23 THR A 72 6.030 12.984 -0.981 1.00 0.00 H new ATOM 1095 N GLN A 73 6.939 10.493 -1.008 1.00 0.00 N ATOM 1096 CA GLN A 73 8.120 10.263 -1.830 1.00 0.00 C ATOM 1097 C GLN A 73 7.989 8.965 -2.620 1.00 0.00 C ATOM 1098 O GLN A 73 8.166 8.947 -3.839 1.00 0.00 O ATOM 1099 CB GLN A 73 9.375 10.216 -0.956 1.00 0.00 C ATOM 1100 CG GLN A 73 10.036 11.572 -0.767 1.00 0.00 C ATOM 1101 CD GLN A 73 10.693 12.083 -2.034 1.00 0.00 C ATOM 1102 OE1 GLN A 73 10.109 12.875 -2.774 1.00 0.00 O ATOM 1103 NE2 GLN A 73 11.914 11.630 -2.292 1.00 0.00 N ATOM 0 H GLN A 73 7.140 10.698 -0.029 1.00 0.00 H new ATOM 0 HA GLN A 73 8.207 11.090 -2.535 1.00 0.00 H new ATOM 0 HB2 GLN A 73 9.112 9.810 0.021 1.00 0.00 H new ATOM 0 HB3 GLN A 73 10.094 9.530 -1.404 1.00 0.00 H new ATOM 0 HG2 GLN A 73 9.289 12.293 -0.434 1.00 0.00 H new ATOM 0 HG3 GLN A 73 10.784 11.500 0.022 1.00 0.00 H new ATOM 0 HE21 GLN A 73 12.361 10.974 -1.651 1.00 0.00 H new ATOM 0 HE22 GLN A 73 12.405 11.938 -3.131 1.00 0.00 H new ATOM 1112 N LEU A 74 7.677 7.880 -1.919 1.00 0.00 N ATOM 1113 CA LEU A 74 7.521 6.577 -2.556 1.00 0.00 C ATOM 1114 C LEU A 74 6.545 6.655 -3.725 1.00 0.00 C ATOM 1115 O LEU A 74 6.077 7.735 -4.087 1.00 0.00 O ATOM 1116 CB LEU A 74 7.034 5.545 -1.537 1.00 0.00 C ATOM 1117 CG LEU A 74 5.883 5.987 -0.632 1.00 0.00 C ATOM 1118 CD1 LEU A 74 4.615 6.195 -1.444 1.00 0.00 C ATOM 1119 CD2 LEU A 74 5.650 4.966 0.472 1.00 0.00 C ATOM 0 H LEU A 74 7.527 7.877 -0.910 1.00 0.00 H new ATOM 0 HA LEU A 74 8.493 6.269 -2.940 1.00 0.00 H new ATOM 0 HB2 LEU A 74 6.723 4.650 -2.076 1.00 0.00 H new ATOM 0 HB3 LEU A 74 7.877 5.260 -0.907 1.00 0.00 H new ATOM 0 HG LEU A 74 6.154 6.936 -0.170 1.00 0.00 H new ATOM 0 HD11 LEU A 74 3.807 6.509 -0.783 1.00 0.00 H new ATOM 0 HD12 LEU A 74 4.787 6.964 -2.197 1.00 0.00 H new ATOM 0 HD13 LEU A 74 4.340 5.261 -1.935 1.00 0.00 H new ATOM 0 HD21 LEU A 74 4.828 5.297 1.106 1.00 0.00 H new ATOM 0 HD22 LEU A 74 5.401 4.002 0.029 1.00 0.00 H new ATOM 0 HD23 LEU A 74 6.554 4.867 1.073 1.00 0.00 H new ATOM 1131 N THR A 75 6.238 5.501 -4.311 1.00 0.00 N ATOM 1132 CA THR A 75 5.316 5.438 -5.438 1.00 0.00 C ATOM 1133 C THR A 75 3.868 5.401 -4.962 1.00 0.00 C ATOM 1134 O THR A 75 3.492 4.555 -4.151 1.00 0.00 O ATOM 1135 CB THR A 75 5.587 4.202 -6.317 1.00 0.00 C ATOM 1136 OG1 THR A 75 6.933 4.236 -6.806 1.00 0.00 O ATOM 1137 CG2 THR A 75 4.618 4.148 -7.487 1.00 0.00 C ATOM 0 H THR A 75 6.615 4.598 -4.023 1.00 0.00 H new ATOM 0 HA THR A 75 5.478 6.339 -6.030 1.00 0.00 H new ATOM 0 HB THR A 75 5.444 3.310 -5.707 1.00 0.00 H new ATOM 0 HG1 THR A 75 7.099 3.447 -7.363 1.00 0.00 H new ATOM 0 HG21 THR A 75 4.829 3.267 -8.093 1.00 0.00 H new ATOM 0 HG22 THR A 75 3.596 4.094 -7.111 1.00 0.00 H new ATOM 0 HG23 THR A 75 4.733 5.044 -8.097 1.00 0.00 H new ATOM 1145 N ASP A 76 3.059 6.323 -5.473 1.00 0.00 N ATOM 1146 CA ASP A 76 1.651 6.395 -5.101 1.00 0.00 C ATOM 1147 C ASP A 76 0.867 5.240 -5.717 1.00 0.00 C ATOM 1148 O ASP A 76 1.201 4.757 -6.798 1.00 0.00 O ATOM 1149 CB ASP A 76 1.051 7.729 -5.547 1.00 0.00 C ATOM 1150 CG ASP A 76 1.895 8.914 -5.120 1.00 0.00 C ATOM 1151 OD1 ASP A 76 2.288 8.967 -3.935 1.00 0.00 O ATOM 1152 OD2 ASP A 76 2.162 9.789 -5.970 1.00 0.00 O ATOM 0 H ASP A 76 3.354 7.031 -6.146 1.00 0.00 H new ATOM 0 HA ASP A 76 1.583 6.320 -4.016 1.00 0.00 H new ATOM 0 HB2 ASP A 76 0.947 7.733 -6.632 1.00 0.00 H new ATOM 0 HB3 ASP A 76 0.049 7.831 -5.130 1.00 0.00 H new ATOM 1157 N ASN A 77 -0.176 4.802 -5.020 1.00 0.00 N ATOM 1158 CA ASN A 77 -1.007 3.702 -5.498 1.00 0.00 C ATOM 1159 C ASN A 77 -2.475 4.115 -5.556 1.00 0.00 C ATOM 1160 O ASN A 77 -3.304 3.608 -4.799 1.00 0.00 O ATOM 1161 CB ASN A 77 -0.845 2.481 -4.590 1.00 0.00 C ATOM 1162 CG ASN A 77 -1.078 1.177 -5.328 1.00 0.00 C ATOM 1163 OD1 ASN A 77 -0.517 0.948 -6.400 1.00 0.00 O ATOM 1164 ND2 ASN A 77 -1.910 0.314 -4.755 1.00 0.00 N ATOM 0 H ASN A 77 -0.466 5.191 -4.123 1.00 0.00 H new ATOM 0 HA ASN A 77 -0.680 3.444 -6.505 1.00 0.00 H new ATOM 0 HB2 ASN A 77 0.158 2.480 -4.163 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -1.545 2.555 -3.758 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -2.106 -0.580 -5.204 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -2.353 0.546 -3.866 1.00 0.00 H new ATOM 1171 N LEU A 78 -2.789 5.036 -6.460 1.00 0.00 N ATOM 1172 CA LEU A 78 -4.157 5.517 -6.619 1.00 0.00 C ATOM 1173 C LEU A 78 -4.994 4.524 -7.419 1.00 0.00 C ATOM 1174 O LEU A 78 -6.101 4.839 -7.857 1.00 0.00 O ATOM 1175 CB LEU A 78 -4.162 6.881 -7.311 1.00 0.00 C ATOM 1176 CG LEU A 78 -3.258 7.014 -8.538 1.00 0.00 C ATOM 1177 CD1 LEU A 78 -1.853 7.421 -8.123 1.00 0.00 C ATOM 1178 CD2 LEU A 78 -3.229 5.711 -9.323 1.00 0.00 C ATOM 0 H LEU A 78 -2.115 5.465 -7.094 1.00 0.00 H new ATOM 0 HA LEU A 78 -4.598 5.619 -5.627 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -5.184 7.110 -7.611 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -3.867 7.637 -6.583 1.00 0.00 H new ATOM 0 HG LEU A 78 -3.664 7.793 -9.183 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -1.224 7.511 -9.008 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -1.890 8.379 -7.605 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -1.437 6.665 -7.457 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -2.581 5.824 -10.192 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -2.847 4.912 -8.688 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -4.238 5.462 -9.652 1.00 0.00 H new ATOM 1190 N THR A 79 -4.458 3.322 -7.606 1.00 0.00 N ATOM 1191 CA THR A 79 -5.155 2.282 -8.353 1.00 0.00 C ATOM 1192 C THR A 79 -6.260 1.650 -7.514 1.00 0.00 C ATOM 1193 O THR A 79 -7.344 1.355 -8.018 1.00 0.00 O ATOM 1194 CB THR A 79 -4.185 1.180 -8.819 1.00 0.00 C ATOM 1195 OG1 THR A 79 -4.891 0.201 -9.590 1.00 0.00 O ATOM 1196 CG2 THR A 79 -3.516 0.509 -7.630 1.00 0.00 C ATOM 0 H THR A 79 -3.543 3.045 -7.250 1.00 0.00 H new ATOM 0 HA THR A 79 -5.596 2.761 -9.227 1.00 0.00 H new ATOM 0 HB THR A 79 -3.414 1.642 -9.436 1.00 0.00 H new ATOM 0 HG1 THR A 79 -4.268 -0.496 -9.884 1.00 0.00 H new ATOM 0 HG21 THR A 79 -2.836 -0.265 -7.985 1.00 0.00 H new ATOM 0 HG22 THR A 79 -2.956 1.251 -7.061 1.00 0.00 H new ATOM 0 HG23 THR A 79 -4.276 0.060 -6.991 1.00 0.00 H new ATOM 1204 N VAL A 80 -5.978 1.444 -6.231 1.00 0.00 N ATOM 1205 CA VAL A 80 -6.950 0.848 -5.322 1.00 0.00 C ATOM 1206 C VAL A 80 -8.129 1.785 -5.086 1.00 0.00 C ATOM 1207 O VAL A 80 -9.239 1.341 -4.789 1.00 0.00 O ATOM 1208 CB VAL A 80 -6.308 0.499 -3.966 1.00 0.00 C ATOM 1209 CG1 VAL A 80 -5.261 -0.592 -4.136 1.00 0.00 C ATOM 1210 CG2 VAL A 80 -5.699 1.739 -3.329 1.00 0.00 C ATOM 0 H VAL A 80 -5.085 1.681 -5.798 1.00 0.00 H new ATOM 0 HA VAL A 80 -7.306 -0.067 -5.795 1.00 0.00 H new ATOM 0 HB VAL A 80 -7.086 0.123 -3.302 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -4.818 -0.825 -3.168 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -5.731 -1.486 -4.545 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -4.483 -0.247 -4.817 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -5.250 1.473 -2.372 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -4.933 2.148 -3.988 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -6.477 2.486 -3.170 1.00 0.00 H new ATOM 1220 N LEU A 81 -7.883 3.083 -5.222 1.00 0.00 N ATOM 1221 CA LEU A 81 -8.925 4.085 -5.025 1.00 0.00 C ATOM 1222 C LEU A 81 -9.806 4.206 -6.265 1.00 0.00 C ATOM 1223 O LEU A 81 -11.015 4.410 -6.164 1.00 0.00 O ATOM 1224 CB LEU A 81 -8.301 5.442 -4.695 1.00 0.00 C ATOM 1225 CG LEU A 81 -7.471 5.504 -3.413 1.00 0.00 C ATOM 1226 CD1 LEU A 81 -6.752 6.840 -3.307 1.00 0.00 C ATOM 1227 CD2 LEU A 81 -8.353 5.273 -2.194 1.00 0.00 C ATOM 0 H LEU A 81 -6.971 3.467 -5.468 1.00 0.00 H new ATOM 0 HA LEU A 81 -9.547 3.766 -4.189 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -7.667 5.741 -5.530 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -9.101 6.179 -4.623 1.00 0.00 H new ATOM 0 HG LEU A 81 -6.722 4.713 -3.450 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -6.166 6.866 -2.388 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -6.090 6.966 -4.163 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -7.484 7.647 -3.293 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -7.745 5.321 -1.291 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -9.125 6.041 -2.153 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -8.821 4.291 -2.265 1.00 0.00 H new ATOM 1239 N LYS A 82 -9.191 4.075 -7.436 1.00 0.00 N ATOM 1240 CA LYS A 82 -9.918 4.166 -8.697 1.00 0.00 C ATOM 1241 C LYS A 82 -9.262 3.299 -9.766 1.00 0.00 C ATOM 1242 O LYS A 82 -8.044 3.115 -9.770 1.00 0.00 O ATOM 1243 CB LYS A 82 -9.979 5.620 -9.170 1.00 0.00 C ATOM 1244 CG LYS A 82 -11.169 6.389 -8.622 1.00 0.00 C ATOM 1245 CD LYS A 82 -12.384 6.253 -9.525 1.00 0.00 C ATOM 1246 CE LYS A 82 -12.264 7.135 -10.758 1.00 0.00 C ATOM 1247 NZ LYS A 82 -12.202 8.580 -10.402 1.00 0.00 N ATOM 0 H LYS A 82 -8.190 3.905 -7.538 1.00 0.00 H new ATOM 0 HA LYS A 82 -10.932 3.802 -8.531 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -9.061 6.128 -8.874 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -10.016 5.638 -10.259 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -11.413 6.022 -7.625 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -10.907 7.442 -8.519 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -12.497 5.213 -9.830 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -13.283 6.522 -8.970 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -11.369 6.860 -11.316 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -13.116 6.959 -11.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -12.492 9.152 -11.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -12.842 8.769 -9.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -11.229 8.830 -10.132 1.00 0.00 H new ATOM 1261 N SER A 83 -10.076 2.770 -10.674 1.00 0.00 N ATOM 1262 CA SER A 83 -9.574 1.921 -11.748 1.00 0.00 C ATOM 1263 C SER A 83 -9.149 2.758 -12.950 1.00 0.00 C ATOM 1264 O SER A 83 -9.982 3.347 -13.637 1.00 0.00 O ATOM 1265 CB SER A 83 -10.643 0.910 -12.169 1.00 0.00 C ATOM 1266 OG SER A 83 -10.209 0.140 -13.276 1.00 0.00 O ATOM 0 H SER A 83 -11.086 2.914 -10.687 1.00 0.00 H new ATOM 0 HA SER A 83 -8.702 1.384 -11.375 1.00 0.00 H new ATOM 0 HB2 SER A 83 -10.874 0.251 -11.332 1.00 0.00 H new ATOM 0 HB3 SER A 83 -11.563 1.435 -12.425 1.00 0.00 H new ATOM 0 HG SER A 83 -10.909 -0.499 -13.524 1.00 0.00 H new ATOM 1272 N GLY A 84 -7.843 2.807 -13.197 1.00 0.00 N ATOM 1273 CA GLY A 84 -7.328 3.575 -14.315 1.00 0.00 C ATOM 1274 C GLY A 84 -6.254 2.831 -15.084 1.00 0.00 C ATOM 1275 O GLY A 84 -5.213 2.463 -14.539 1.00 0.00 O ATOM 0 H GLY A 84 -7.133 2.328 -12.643 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -8.148 3.823 -14.989 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -6.921 4.517 -13.948 1.00 0.00 H new ATOM 1279 N PRO A 85 -6.503 2.598 -16.381 1.00 0.00 N ATOM 1280 CA PRO A 85 -5.561 1.889 -17.253 1.00 0.00 C ATOM 1281 C PRO A 85 -4.308 2.709 -17.540 1.00 0.00 C ATOM 1282 O PRO A 85 -4.290 3.534 -18.454 1.00 0.00 O ATOM 1283 CB PRO A 85 -6.363 1.671 -18.538 1.00 0.00 C ATOM 1284 CG PRO A 85 -7.381 2.759 -18.540 1.00 0.00 C ATOM 1285 CD PRO A 85 -7.723 3.008 -17.097 1.00 0.00 C ATOM 0 HA PRO A 85 -5.199 0.967 -16.798 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -5.723 1.727 -19.418 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -6.834 0.688 -18.548 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -6.988 3.661 -19.009 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -8.265 2.465 -19.106 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -7.962 4.056 -16.916 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -8.588 2.425 -16.783 1.00 0.00 H new ATOM 1293 N SER A 86 -3.262 2.478 -16.754 1.00 0.00 N ATOM 1294 CA SER A 86 -2.005 3.198 -16.922 1.00 0.00 C ATOM 1295 C SER A 86 -1.397 2.917 -18.294 1.00 0.00 C ATOM 1296 O SER A 86 -1.206 1.763 -18.676 1.00 0.00 O ATOM 1297 CB SER A 86 -1.016 2.803 -15.824 1.00 0.00 C ATOM 1298 OG SER A 86 -1.446 3.273 -14.558 1.00 0.00 O ATOM 0 H SER A 86 -3.260 1.798 -15.994 1.00 0.00 H new ATOM 0 HA SER A 86 -2.213 4.265 -16.847 1.00 0.00 H new ATOM 0 HB2 SER A 86 -0.912 1.718 -15.797 1.00 0.00 H new ATOM 0 HB3 SER A 86 -0.032 3.212 -16.052 1.00 0.00 H new ATOM 0 HG SER A 86 -0.798 3.006 -13.873 1.00 0.00 H new ATOM 1304 N SER A 87 -1.097 3.983 -19.030 1.00 0.00 N ATOM 1305 CA SER A 87 -0.515 3.853 -20.360 1.00 0.00 C ATOM 1306 C SER A 87 0.575 4.897 -20.581 1.00 0.00 C ATOM 1307 O SER A 87 0.372 6.085 -20.334 1.00 0.00 O ATOM 1308 CB SER A 87 -1.598 3.997 -21.430 1.00 0.00 C ATOM 1309 OG SER A 87 -2.428 2.849 -21.473 1.00 0.00 O ATOM 0 H SER A 87 -1.247 4.945 -18.727 1.00 0.00 H new ATOM 0 HA SER A 87 -0.067 2.863 -20.437 1.00 0.00 H new ATOM 0 HB2 SER A 87 -2.203 4.880 -21.223 1.00 0.00 H new ATOM 0 HB3 SER A 87 -1.133 4.150 -22.404 1.00 0.00 H new ATOM 0 HG SER A 87 -3.113 2.966 -22.164 1.00 0.00 H new ATOM 1315 N GLY A 88 1.735 4.444 -21.047 1.00 0.00 N ATOM 1316 CA GLY A 88 2.841 5.351 -21.293 1.00 0.00 C ATOM 1317 C GLY A 88 3.044 6.339 -20.161 1.00 0.00 C ATOM 1318 O GLY A 88 3.272 5.914 -19.029 1.00 0.00 O ATOM 0 H GLY A 88 1.928 3.465 -21.259 1.00 0.00 H new ATOM 0 HA2 GLY A 88 3.755 4.774 -21.436 1.00 0.00 H new ATOM 0 HA3 GLY A 88 2.660 5.897 -22.219 1.00 0.00 H new TER 1322 GLY A 88 HETATM 1323 ZN ZN A 201 -1.995 -1.878 6.477 1.00 0.00 ZN HETATM 1324 ZN ZN A 401 7.586 -5.366 -1.124 1.00 0.00 ZN