USER MOD reduce.3.24.130724 H: found=0, std=0, add=590, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 588 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 45 HIS HD1 : A 45 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD Set 1.1: A 29 LYS NZ :NH3+ -138:sc= -0.0651 (180deg=0) USER MOD Set 1.2: A 61 MET CE :methyl -155:sc= -0.776 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ -112:sc= 0.0603 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 14:sc= 1.1 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= -0.0542 USER MOD Single : A 18 GLN : amide:sc= -0.0968 X(o=-0.097,f=0) USER MOD Single : A 23 GLN : amide:sc= -6.96! C(o=-7!,f=-5.7!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 MET CE :methyl -146:sc= -0.929 (180deg=-2.29!) USER MOD Single : A 35 ASN : amide:sc= -0.0423 X(o=-0.042,f=0) USER MOD Single : A 48 THR OG1 : rot -142:sc= -1.71! USER MOD Single : A 50 LYS NZ :NH3+ -165:sc=-0.00747 (180deg=-0.174) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ -171:sc= -0.643 (180deg=-0.871) USER MOD Single : A 70 GLN : amide:sc= -2.38! K(o=-2.4!,f=-0.61) USER MOD Single : A 71 LYS NZ :NH3+ 158:sc= -0.0163 (180deg=-0.754) USER MOD Single : A 74 MET CE :methyl 152:sc= -0.3 (180deg=-0.843) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -46.274 -37.210 14.636 1.00 0.00 N ATOM 2 CA GLY A 1 -45.320 -36.119 14.713 1.00 0.00 C ATOM 3 C GLY A 1 -44.062 -36.393 13.913 1.00 0.00 C ATOM 4 O GLY A 1 -43.819 -37.524 13.492 1.00 0.00 O ATOM 0 H1 GLY A 1 -47.113 -36.901 14.105 1.00 0.00 H new ATOM 0 H2 GLY A 1 -45.837 -38.020 14.152 1.00 0.00 H new ATOM 0 H3 GLY A 1 -46.557 -37.492 15.596 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -45.788 -35.205 14.348 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -45.054 -35.946 15.756 1.00 0.00 H new ATOM 8 N SER A 2 -43.259 -35.354 13.702 1.00 0.00 N ATOM 9 CA SER A 2 -42.021 -35.487 12.942 1.00 0.00 C ATOM 10 C SER A 2 -41.196 -34.207 13.021 1.00 0.00 C ATOM 11 O SER A 2 -41.726 -33.129 13.291 1.00 0.00 O ATOM 12 CB SER A 2 -42.328 -35.821 11.481 1.00 0.00 C ATOM 13 OG SER A 2 -43.021 -34.758 10.850 1.00 0.00 O ATOM 0 H SER A 2 -43.444 -34.412 14.046 1.00 0.00 H new ATOM 0 HA SER A 2 -41.441 -36.300 13.378 1.00 0.00 H new ATOM 0 HB2 SER A 2 -41.399 -36.021 10.947 1.00 0.00 H new ATOM 0 HB3 SER A 2 -42.927 -36.730 11.431 1.00 0.00 H new ATOM 0 HG SER A 2 -43.204 -34.995 9.917 1.00 0.00 H new ATOM 19 N SER A 3 -39.894 -34.333 12.782 1.00 0.00 N ATOM 20 CA SER A 3 -38.994 -33.188 12.829 1.00 0.00 C ATOM 21 C SER A 3 -37.630 -33.545 12.246 1.00 0.00 C ATOM 22 O SER A 3 -37.353 -34.707 11.952 1.00 0.00 O ATOM 23 CB SER A 3 -38.832 -32.698 14.269 1.00 0.00 C ATOM 24 OG SER A 3 -38.507 -31.319 14.305 1.00 0.00 O ATOM 0 H SER A 3 -39.440 -35.217 12.554 1.00 0.00 H new ATOM 0 HA SER A 3 -39.430 -32.390 12.228 1.00 0.00 H new ATOM 0 HB2 SER A 3 -39.755 -32.872 14.822 1.00 0.00 H new ATOM 0 HB3 SER A 3 -38.050 -33.272 14.766 1.00 0.00 H new ATOM 0 HG SER A 3 -38.411 -31.030 15.236 1.00 0.00 H new ATOM 30 N GLY A 4 -36.780 -32.535 12.081 1.00 0.00 N ATOM 31 CA GLY A 4 -35.456 -32.762 11.534 1.00 0.00 C ATOM 32 C GLY A 4 -34.611 -31.503 11.521 1.00 0.00 C ATOM 33 O GLY A 4 -35.116 -30.405 11.753 1.00 0.00 O ATOM 0 H GLY A 4 -36.986 -31.564 12.317 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -34.950 -33.529 12.120 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -35.547 -33.146 10.518 1.00 0.00 H new ATOM 37 N SER A 5 -33.319 -31.662 11.249 1.00 0.00 N ATOM 38 CA SER A 5 -32.401 -30.530 11.213 1.00 0.00 C ATOM 39 C SER A 5 -31.140 -30.878 10.427 1.00 0.00 C ATOM 40 O SER A 5 -30.792 -32.050 10.278 1.00 0.00 O ATOM 41 CB SER A 5 -32.028 -30.102 12.633 1.00 0.00 C ATOM 42 OG SER A 5 -31.366 -31.148 13.324 1.00 0.00 O ATOM 0 H SER A 5 -32.885 -32.564 11.051 1.00 0.00 H new ATOM 0 HA SER A 5 -32.904 -29.703 10.713 1.00 0.00 H new ATOM 0 HB2 SER A 5 -31.384 -29.223 12.594 1.00 0.00 H new ATOM 0 HB3 SER A 5 -32.927 -29.814 13.178 1.00 0.00 H new ATOM 0 HG SER A 5 -31.137 -30.849 14.229 1.00 0.00 H new ATOM 48 N SER A 6 -30.460 -29.852 9.926 1.00 0.00 N ATOM 49 CA SER A 6 -29.240 -30.048 9.152 1.00 0.00 C ATOM 50 C SER A 6 -28.432 -28.757 9.076 1.00 0.00 C ATOM 51 O SER A 6 -28.951 -27.670 9.327 1.00 0.00 O ATOM 52 CB SER A 6 -29.579 -30.535 7.741 1.00 0.00 C ATOM 53 OG SER A 6 -29.897 -31.916 7.741 1.00 0.00 O ATOM 0 H SER A 6 -30.733 -28.876 10.042 1.00 0.00 H new ATOM 0 HA SER A 6 -28.637 -30.804 9.655 1.00 0.00 H new ATOM 0 HB2 SER A 6 -30.421 -29.965 7.349 1.00 0.00 H new ATOM 0 HB3 SER A 6 -28.734 -30.353 7.077 1.00 0.00 H new ATOM 0 HG SER A 6 -30.053 -32.216 8.661 1.00 0.00 H new ATOM 59 N GLY A 7 -27.155 -28.885 8.726 1.00 0.00 N ATOM 60 CA GLY A 7 -26.294 -27.721 8.623 1.00 0.00 C ATOM 61 C GLY A 7 -25.252 -27.866 7.532 1.00 0.00 C ATOM 62 O GLY A 7 -25.540 -28.387 6.454 1.00 0.00 O ATOM 0 H GLY A 7 -26.702 -29.774 8.512 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -26.903 -26.839 8.425 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -25.795 -27.556 9.578 1.00 0.00 H new ATOM 66 N SER A 8 -24.037 -27.403 7.810 1.00 0.00 N ATOM 67 CA SER A 8 -22.950 -27.479 6.841 1.00 0.00 C ATOM 68 C SER A 8 -21.607 -27.199 7.509 1.00 0.00 C ATOM 69 O SER A 8 -21.468 -26.246 8.277 1.00 0.00 O ATOM 70 CB SER A 8 -23.183 -26.483 5.703 1.00 0.00 C ATOM 71 OG SER A 8 -22.051 -26.405 4.854 1.00 0.00 O ATOM 0 H SER A 8 -23.781 -26.972 8.698 1.00 0.00 H new ATOM 0 HA SER A 8 -22.930 -28.489 6.432 1.00 0.00 H new ATOM 0 HB2 SER A 8 -24.056 -26.785 5.124 1.00 0.00 H new ATOM 0 HB3 SER A 8 -23.400 -25.498 6.116 1.00 0.00 H new ATOM 0 HG SER A 8 -22.226 -25.763 4.134 1.00 0.00 H new ATOM 77 N LEU A 9 -20.620 -28.037 7.211 1.00 0.00 N ATOM 78 CA LEU A 9 -19.287 -27.882 7.782 1.00 0.00 C ATOM 79 C LEU A 9 -18.389 -27.068 6.856 1.00 0.00 C ATOM 80 O LEU A 9 -17.526 -27.617 6.172 1.00 0.00 O ATOM 81 CB LEU A 9 -18.660 -29.253 8.043 1.00 0.00 C ATOM 82 CG LEU A 9 -19.300 -30.083 9.156 1.00 0.00 C ATOM 83 CD1 LEU A 9 -19.118 -31.569 8.886 1.00 0.00 C ATOM 84 CD2 LEU A 9 -18.709 -29.709 10.507 1.00 0.00 C ATOM 0 H LEU A 9 -20.718 -28.830 6.577 1.00 0.00 H new ATOM 0 HA LEU A 9 -19.383 -27.347 8.727 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -18.699 -29.830 7.119 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -17.607 -29.109 8.285 1.00 0.00 H new ATOM 0 HG LEU A 9 -20.368 -29.866 9.176 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -19.580 -32.144 9.689 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -19.589 -31.827 7.937 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -18.054 -31.803 8.838 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -19.176 -30.310 11.287 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -17.635 -29.896 10.499 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -18.891 -28.653 10.704 1.00 0.00 H new ATOM 96 N GLN A 10 -18.599 -25.755 6.841 1.00 0.00 N ATOM 97 CA GLN A 10 -17.807 -24.865 5.999 1.00 0.00 C ATOM 98 C GLN A 10 -17.905 -23.424 6.488 1.00 0.00 C ATOM 99 O GLN A 10 -18.969 -22.972 6.914 1.00 0.00 O ATOM 100 CB GLN A 10 -18.273 -24.956 4.545 1.00 0.00 C ATOM 101 CG GLN A 10 -17.545 -26.018 3.738 1.00 0.00 C ATOM 102 CD GLN A 10 -17.690 -25.817 2.243 1.00 0.00 C ATOM 103 OE1 GLN A 10 -16.700 -25.669 1.526 1.00 0.00 O ATOM 104 NE2 GLN A 10 -18.928 -25.811 1.763 1.00 0.00 N ATOM 0 H GLN A 10 -19.310 -25.285 7.401 1.00 0.00 H new ATOM 0 HA GLN A 10 -16.765 -25.180 6.059 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -19.342 -25.168 4.527 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -18.132 -23.987 4.066 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -16.487 -26.007 4.001 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -17.930 -27.001 4.008 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -19.720 -25.937 2.393 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -19.087 -25.680 0.764 1.00 0.00 H new ATOM 113 N LYS A 11 -16.789 -22.706 6.425 1.00 0.00 N ATOM 114 CA LYS A 11 -16.748 -21.315 6.860 1.00 0.00 C ATOM 115 C LYS A 11 -15.473 -20.631 6.377 1.00 0.00 C ATOM 116 O LYS A 11 -14.435 -21.273 6.223 1.00 0.00 O ATOM 117 CB LYS A 11 -16.836 -21.234 8.386 1.00 0.00 C ATOM 118 CG LYS A 11 -16.655 -19.828 8.932 1.00 0.00 C ATOM 119 CD LYS A 11 -16.479 -19.834 10.441 1.00 0.00 C ATOM 120 CE LYS A 11 -15.017 -19.991 10.831 1.00 0.00 C ATOM 121 NZ LYS A 11 -14.315 -18.679 10.890 1.00 0.00 N ATOM 0 H LYS A 11 -15.900 -23.065 6.077 1.00 0.00 H new ATOM 0 HA LYS A 11 -17.604 -20.799 6.424 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -17.805 -21.617 8.707 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -16.076 -21.884 8.820 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -15.786 -19.365 8.465 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -17.520 -19.220 8.668 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -16.870 -18.906 10.858 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -17.061 -20.648 10.873 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -14.951 -20.482 11.802 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -14.517 -20.639 10.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -13.322 -18.829 11.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -14.356 -18.221 9.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -14.777 -18.070 11.595 1.00 0.00 H new ATOM 135 N GLU A 12 -15.560 -19.326 6.141 1.00 0.00 N ATOM 136 CA GLU A 12 -14.412 -18.556 5.676 1.00 0.00 C ATOM 137 C GLU A 12 -14.581 -17.075 6.004 1.00 0.00 C ATOM 138 O GLU A 12 -15.701 -16.584 6.144 1.00 0.00 O ATOM 139 CB GLU A 12 -14.225 -18.738 4.169 1.00 0.00 C ATOM 140 CG GLU A 12 -12.934 -18.136 3.639 1.00 0.00 C ATOM 141 CD GLU A 12 -12.523 -18.721 2.301 1.00 0.00 C ATOM 142 OE1 GLU A 12 -12.208 -19.928 2.253 1.00 0.00 O ATOM 143 OE2 GLU A 12 -12.518 -17.971 1.303 1.00 0.00 O ATOM 0 H GLU A 12 -16.413 -18.780 6.264 1.00 0.00 H new ATOM 0 HA GLU A 12 -13.526 -18.925 6.192 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -14.243 -19.802 3.935 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -15.068 -18.283 3.649 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -13.055 -17.057 3.538 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -12.137 -18.301 4.364 1.00 0.00 H new ATOM 150 N ILE A 13 -13.461 -16.371 6.124 1.00 0.00 N ATOM 151 CA ILE A 13 -13.485 -14.947 6.435 1.00 0.00 C ATOM 152 C ILE A 13 -13.510 -14.107 5.162 1.00 0.00 C ATOM 153 O ILE A 13 -12.905 -14.471 4.154 1.00 0.00 O ATOM 154 CB ILE A 13 -12.267 -14.535 7.283 1.00 0.00 C ATOM 155 CG1 ILE A 13 -12.054 -15.530 8.426 1.00 0.00 C ATOM 156 CG2 ILE A 13 -12.453 -13.127 7.828 1.00 0.00 C ATOM 157 CD1 ILE A 13 -10.763 -15.313 9.184 1.00 0.00 C ATOM 0 H ILE A 13 -12.526 -16.763 6.011 1.00 0.00 H new ATOM 0 HA ILE A 13 -14.395 -14.764 7.007 1.00 0.00 H new ATOM 0 HB ILE A 13 -11.381 -14.544 6.648 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -12.890 -15.457 9.121 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -12.063 -16.542 8.022 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -11.584 -12.850 8.425 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -12.561 -12.427 6.999 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -13.347 -13.093 8.451 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -10.679 -16.054 9.979 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -9.919 -15.415 8.502 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -10.760 -14.313 9.618 1.00 0.00 H new ATOM 169 N SER A 14 -14.215 -12.981 5.217 1.00 0.00 N ATOM 170 CA SER A 14 -14.321 -12.090 4.068 1.00 0.00 C ATOM 171 C SER A 14 -13.158 -11.104 4.035 1.00 0.00 C ATOM 172 O SER A 14 -12.570 -10.783 5.069 1.00 0.00 O ATOM 173 CB SER A 14 -15.648 -11.329 4.107 1.00 0.00 C ATOM 174 OG SER A 14 -15.875 -10.636 2.892 1.00 0.00 O ATOM 0 H SER A 14 -14.721 -12.665 6.044 1.00 0.00 H new ATOM 0 HA SER A 14 -14.285 -12.698 3.164 1.00 0.00 H new ATOM 0 HB2 SER A 14 -16.465 -12.027 4.290 1.00 0.00 H new ATOM 0 HB3 SER A 14 -15.641 -10.622 4.937 1.00 0.00 H new ATOM 0 HG SER A 14 -16.730 -10.159 2.942 1.00 0.00 H new ATOM 180 N THR A 15 -12.829 -10.625 2.839 1.00 0.00 N ATOM 181 CA THR A 15 -11.735 -9.677 2.670 1.00 0.00 C ATOM 182 C THR A 15 -11.786 -8.584 3.731 1.00 0.00 C ATOM 183 O THR A 15 -10.750 -8.109 4.195 1.00 0.00 O ATOM 184 CB THR A 15 -11.769 -9.024 1.275 1.00 0.00 C ATOM 185 OG1 THR A 15 -10.621 -8.186 1.098 1.00 0.00 O ATOM 186 CG2 THR A 15 -13.036 -8.203 1.092 1.00 0.00 C ATOM 0 H THR A 15 -13.305 -10.878 1.973 1.00 0.00 H new ATOM 0 HA THR A 15 -10.808 -10.241 2.777 1.00 0.00 H new ATOM 0 HB THR A 15 -11.758 -9.817 0.527 1.00 0.00 H new ATOM 0 HG1 THR A 15 -10.649 -7.776 0.208 1.00 0.00 H new ATOM 0 HG21 THR A 15 -13.037 -7.752 0.100 1.00 0.00 H new ATOM 0 HG22 THR A 15 -13.907 -8.850 1.198 1.00 0.00 H new ATOM 0 HG23 THR A 15 -13.073 -7.418 1.847 1.00 0.00 H new ATOM 194 N GLU A 16 -12.998 -8.190 4.111 1.00 0.00 N ATOM 195 CA GLU A 16 -13.182 -7.152 5.119 1.00 0.00 C ATOM 196 C GLU A 16 -12.423 -7.495 6.398 1.00 0.00 C ATOM 197 O GLU A 16 -11.557 -6.740 6.839 1.00 0.00 O ATOM 198 CB GLU A 16 -14.669 -6.969 5.428 1.00 0.00 C ATOM 199 CG GLU A 16 -15.419 -6.183 4.366 1.00 0.00 C ATOM 200 CD GLU A 16 -16.842 -5.857 4.777 1.00 0.00 C ATOM 201 OE1 GLU A 16 -17.018 -5.157 5.797 1.00 0.00 O ATOM 202 OE2 GLU A 16 -17.778 -6.301 4.082 1.00 0.00 O ATOM 0 H GLU A 16 -13.866 -8.573 3.737 1.00 0.00 H new ATOM 0 HA GLU A 16 -12.784 -6.219 4.720 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -15.132 -7.950 5.537 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -14.772 -6.459 6.386 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -14.883 -5.257 4.159 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -15.435 -6.756 3.439 1.00 0.00 H new ATOM 209 N GLU A 17 -12.757 -8.639 6.988 1.00 0.00 N ATOM 210 CA GLU A 17 -12.108 -9.080 8.217 1.00 0.00 C ATOM 211 C GLU A 17 -10.636 -9.399 7.971 1.00 0.00 C ATOM 212 O GLU A 17 -9.751 -8.797 8.578 1.00 0.00 O ATOM 213 CB GLU A 17 -12.820 -10.311 8.782 1.00 0.00 C ATOM 214 CG GLU A 17 -13.920 -9.976 9.775 1.00 0.00 C ATOM 215 CD GLU A 17 -13.482 -8.958 10.810 1.00 0.00 C ATOM 216 OE1 GLU A 17 -13.606 -7.746 10.537 1.00 0.00 O ATOM 217 OE2 GLU A 17 -13.014 -9.373 11.890 1.00 0.00 O ATOM 0 H GLU A 17 -13.472 -9.276 6.635 1.00 0.00 H new ATOM 0 HA GLU A 17 -12.170 -8.268 8.942 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -13.248 -10.883 7.958 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -12.086 -10.953 9.269 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -14.786 -9.591 9.236 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -14.238 -10.888 10.280 1.00 0.00 H new ATOM 224 N GLN A 18 -10.384 -10.350 7.078 1.00 0.00 N ATOM 225 CA GLN A 18 -9.019 -10.749 6.753 1.00 0.00 C ATOM 226 C GLN A 18 -8.094 -9.538 6.706 1.00 0.00 C ATOM 227 O GLN A 18 -7.158 -9.428 7.499 1.00 0.00 O ATOM 228 CB GLN A 18 -8.986 -11.483 5.411 1.00 0.00 C ATOM 229 CG GLN A 18 -9.467 -12.923 5.493 1.00 0.00 C ATOM 230 CD GLN A 18 -9.448 -13.622 4.148 1.00 0.00 C ATOM 231 OE1 GLN A 18 -8.618 -14.497 3.901 1.00 0.00 O ATOM 232 NE2 GLN A 18 -10.367 -13.238 3.268 1.00 0.00 N ATOM 0 H GLN A 18 -11.106 -10.858 6.567 1.00 0.00 H new ATOM 0 HA GLN A 18 -8.668 -11.421 7.536 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -9.605 -10.942 4.695 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -7.967 -11.471 5.024 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -8.838 -13.473 6.193 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -10.481 -12.941 5.893 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -11.036 -12.509 3.515 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -10.403 -13.673 2.346 1.00 0.00 H new ATOM 241 N LEU A 19 -8.361 -8.631 5.773 1.00 0.00 N ATOM 242 CA LEU A 19 -7.552 -7.426 5.623 1.00 0.00 C ATOM 243 C LEU A 19 -7.414 -6.694 6.954 1.00 0.00 C ATOM 244 O LEU A 19 -6.321 -6.268 7.328 1.00 0.00 O ATOM 245 CB LEU A 19 -8.173 -6.498 4.578 1.00 0.00 C ATOM 246 CG LEU A 19 -7.787 -6.769 3.124 1.00 0.00 C ATOM 247 CD1 LEU A 19 -7.947 -8.245 2.796 1.00 0.00 C ATOM 248 CD2 LEU A 19 -8.624 -5.917 2.182 1.00 0.00 C ATOM 0 H LEU A 19 -9.131 -8.707 5.109 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.558 -7.724 5.289 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -9.258 -6.563 4.663 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -7.895 -5.473 4.821 1.00 0.00 H new ATOM 0 HG LEU A 19 -6.739 -6.500 2.990 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -7.668 -8.419 1.757 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -7.303 -8.835 3.449 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -8.985 -8.541 2.947 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -8.335 -6.123 1.151 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -9.679 -6.154 2.318 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -8.458 -4.862 2.401 1.00 0.00 H new ATOM 260 N ARG A 20 -8.528 -6.552 7.664 1.00 0.00 N ATOM 261 CA ARG A 20 -8.531 -5.872 8.953 1.00 0.00 C ATOM 262 C ARG A 20 -7.524 -6.509 9.907 1.00 0.00 C ATOM 263 O ARG A 20 -7.227 -5.962 10.968 1.00 0.00 O ATOM 264 CB ARG A 20 -9.930 -5.911 9.571 1.00 0.00 C ATOM 265 CG ARG A 20 -10.811 -4.743 9.159 1.00 0.00 C ATOM 266 CD ARG A 20 -10.465 -3.483 9.936 1.00 0.00 C ATOM 267 NE ARG A 20 -10.835 -3.590 11.345 1.00 0.00 N ATOM 268 CZ ARG A 20 -12.047 -3.309 11.810 1.00 0.00 C ATOM 269 NH1 ARG A 20 -13.001 -2.907 10.983 1.00 0.00 N ATOM 270 NH2 ARG A 20 -12.306 -3.431 13.106 1.00 0.00 N ATOM 0 H ARG A 20 -9.440 -6.899 7.368 1.00 0.00 H new ATOM 0 HA ARG A 20 -8.243 -4.834 8.788 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -10.419 -6.842 9.285 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -9.838 -5.920 10.657 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -10.694 -4.557 8.091 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -11.857 -4.999 9.326 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -9.395 -3.290 9.856 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -10.977 -2.630 9.490 1.00 0.00 H new ATOM 0 HE ARG A 20 -10.124 -3.897 12.008 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -12.806 -2.813 9.986 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -13.931 -2.692 11.343 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -11.574 -3.741 13.745 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -13.237 -3.215 13.463 1.00 0.00 H new ATOM 284 N ARG A 21 -7.004 -7.670 9.520 1.00 0.00 N ATOM 285 CA ARG A 21 -6.032 -8.382 10.341 1.00 0.00 C ATOM 286 C ARG A 21 -4.608 -8.074 9.888 1.00 0.00 C ATOM 287 O ARG A 21 -3.748 -7.729 10.699 1.00 0.00 O ATOM 288 CB ARG A 21 -6.285 -9.890 10.275 1.00 0.00 C ATOM 289 CG ARG A 21 -7.680 -10.293 10.725 1.00 0.00 C ATOM 290 CD ARG A 21 -7.882 -11.798 10.630 1.00 0.00 C ATOM 291 NE ARG A 21 -7.188 -12.512 11.698 1.00 0.00 N ATOM 292 CZ ARG A 21 -7.703 -12.709 12.906 1.00 0.00 C ATOM 293 NH1 ARG A 21 -8.911 -12.247 13.199 1.00 0.00 N ATOM 294 NH2 ARG A 21 -7.009 -13.369 13.825 1.00 0.00 N ATOM 0 H ARG A 21 -7.239 -8.137 8.644 1.00 0.00 H new ATOM 0 HA ARG A 21 -6.148 -8.045 11.371 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -6.129 -10.232 9.252 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -5.550 -10.401 10.897 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -7.840 -9.967 11.753 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -8.423 -9.785 10.110 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -8.947 -12.024 10.675 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -7.522 -12.152 9.664 1.00 0.00 H new ATOM 0 HE ARG A 21 -6.256 -12.880 11.506 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -9.447 -11.739 12.496 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -9.304 -12.400 14.128 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -6.079 -13.725 13.604 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -7.405 -13.520 14.753 1.00 0.00 H new ATOM 308 N LEU A 22 -4.366 -8.203 8.588 1.00 0.00 N ATOM 309 CA LEU A 22 -3.045 -7.939 8.026 1.00 0.00 C ATOM 310 C LEU A 22 -2.875 -6.457 7.709 1.00 0.00 C ATOM 311 O LEU A 22 -1.853 -5.856 8.037 1.00 0.00 O ATOM 312 CB LEU A 22 -2.832 -8.772 6.761 1.00 0.00 C ATOM 313 CG LEU A 22 -4.023 -8.857 5.805 1.00 0.00 C ATOM 314 CD1 LEU A 22 -3.555 -8.766 4.361 1.00 0.00 C ATOM 315 CD2 LEU A 22 -4.800 -10.144 6.036 1.00 0.00 C ATOM 0 H LEU A 22 -5.066 -8.489 7.904 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.298 -8.220 8.768 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.983 -8.358 6.216 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.557 -9.784 7.058 1.00 0.00 H new ATOM 0 HG LEU A 22 -4.686 -8.015 6.004 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -4.416 -8.828 3.695 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.042 -7.817 4.204 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.871 -9.587 4.148 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -5.644 -10.188 5.347 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -4.147 -10.999 5.864 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -5.167 -10.168 7.062 1.00 0.00 H new ATOM 327 N GLN A 23 -3.884 -5.874 7.070 1.00 0.00 N ATOM 328 CA GLN A 23 -3.846 -4.462 6.709 1.00 0.00 C ATOM 329 C GLN A 23 -3.637 -3.591 7.943 1.00 0.00 C ATOM 330 O GLN A 23 -3.348 -2.400 7.831 1.00 0.00 O ATOM 331 CB GLN A 23 -5.141 -4.060 6.000 1.00 0.00 C ATOM 332 CG GLN A 23 -5.393 -4.828 4.713 1.00 0.00 C ATOM 333 CD GLN A 23 -6.316 -4.089 3.763 1.00 0.00 C ATOM 334 OE1 GLN A 23 -7.164 -3.305 4.189 1.00 0.00 O ATOM 335 NE2 GLN A 23 -6.154 -4.336 2.469 1.00 0.00 N ATOM 0 H GLN A 23 -4.738 -6.358 6.792 1.00 0.00 H new ATOM 0 HA GLN A 23 -3.006 -4.308 6.031 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -5.980 -4.217 6.677 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -5.107 -2.994 5.776 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -4.442 -5.018 4.215 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -5.826 -5.799 4.953 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -5.438 -4.994 2.161 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -6.746 -3.868 1.782 1.00 0.00 H new ATOM 344 N GLU A 24 -3.785 -4.193 9.119 1.00 0.00 N ATOM 345 CA GLU A 24 -3.614 -3.471 10.374 1.00 0.00 C ATOM 346 C GLU A 24 -2.199 -3.653 10.917 1.00 0.00 C ATOM 347 O GLU A 24 -1.657 -2.764 11.573 1.00 0.00 O ATOM 348 CB GLU A 24 -4.635 -3.950 11.408 1.00 0.00 C ATOM 349 CG GLU A 24 -6.002 -3.305 11.257 1.00 0.00 C ATOM 350 CD GLU A 24 -6.743 -3.192 12.575 1.00 0.00 C ATOM 351 OE1 GLU A 24 -6.506 -4.037 13.464 1.00 0.00 O ATOM 352 OE2 GLU A 24 -7.559 -2.257 12.718 1.00 0.00 O ATOM 0 H GLU A 24 -4.023 -5.179 9.229 1.00 0.00 H new ATOM 0 HA GLU A 24 -3.777 -2.411 10.179 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -4.742 -5.032 11.327 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -4.253 -3.742 12.407 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -5.885 -2.312 10.824 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -6.600 -3.889 10.557 1.00 0.00 H new ATOM 359 N GLU A 25 -1.609 -4.811 10.639 1.00 0.00 N ATOM 360 CA GLU A 25 -0.259 -5.110 11.101 1.00 0.00 C ATOM 361 C GLU A 25 0.756 -4.915 9.979 1.00 0.00 C ATOM 362 O GLU A 25 1.910 -5.329 10.090 1.00 0.00 O ATOM 363 CB GLU A 25 -0.183 -6.545 11.629 1.00 0.00 C ATOM 364 CG GLU A 25 0.063 -7.580 10.544 1.00 0.00 C ATOM 365 CD GLU A 25 0.509 -8.917 11.104 1.00 0.00 C ATOM 366 OE1 GLU A 25 -0.293 -9.562 11.810 1.00 0.00 O ATOM 367 OE2 GLU A 25 1.661 -9.318 10.834 1.00 0.00 O ATOM 0 H GLU A 25 -2.044 -5.557 10.096 1.00 0.00 H new ATOM 0 HA GLU A 25 -0.018 -4.420 11.909 1.00 0.00 H new ATOM 0 HB2 GLU A 25 0.615 -6.609 12.369 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -1.114 -6.784 12.143 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -0.850 -7.719 9.966 1.00 0.00 H new ATOM 0 HG3 GLU A 25 0.822 -7.207 9.856 1.00 0.00 H new ATOM 374 N LYS A 26 0.317 -4.281 8.897 1.00 0.00 N ATOM 375 CA LYS A 26 1.186 -4.028 7.753 1.00 0.00 C ATOM 376 C LYS A 26 1.171 -2.551 7.374 1.00 0.00 C ATOM 377 O LYS A 26 2.217 -1.958 7.107 1.00 0.00 O ATOM 378 CB LYS A 26 0.747 -4.876 6.557 1.00 0.00 C ATOM 379 CG LYS A 26 -0.636 -4.525 6.037 1.00 0.00 C ATOM 380 CD LYS A 26 -0.570 -3.477 4.939 1.00 0.00 C ATOM 381 CE LYS A 26 -0.342 -4.112 3.576 1.00 0.00 C ATOM 382 NZ LYS A 26 -0.837 -3.245 2.470 1.00 0.00 N ATOM 0 H LYS A 26 -0.636 -3.933 8.788 1.00 0.00 H new ATOM 0 HA LYS A 26 2.203 -4.303 8.033 1.00 0.00 H new ATOM 0 HB2 LYS A 26 1.471 -4.754 5.751 1.00 0.00 H new ATOM 0 HB3 LYS A 26 0.762 -5.928 6.843 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -1.121 -5.423 5.655 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -1.251 -4.155 6.857 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -1.498 -2.905 4.924 1.00 0.00 H new ATOM 0 HD3 LYS A 26 0.235 -2.774 5.153 1.00 0.00 H new ATOM 0 HE2 LYS A 26 0.722 -4.304 3.438 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -0.848 -5.077 3.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -0.663 -3.713 1.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -1.858 -3.082 2.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -0.336 -2.334 2.493 1.00 0.00 H new ATOM 396 N LEU A 27 -0.019 -1.961 7.355 1.00 0.00 N ATOM 397 CA LEU A 27 -0.169 -0.551 7.011 1.00 0.00 C ATOM 398 C LEU A 27 0.732 0.320 7.880 1.00 0.00 C ATOM 399 O LEU A 27 1.416 -0.175 8.777 1.00 0.00 O ATOM 400 CB LEU A 27 -1.627 -0.119 7.175 1.00 0.00 C ATOM 401 CG LEU A 27 -2.100 0.118 8.609 1.00 0.00 C ATOM 402 CD1 LEU A 27 -1.354 -0.790 9.574 1.00 0.00 C ATOM 403 CD2 LEU A 27 -1.917 1.578 8.998 1.00 0.00 C ATOM 0 H LEU A 27 -0.894 -2.437 7.574 1.00 0.00 H new ATOM 0 HA LEU A 27 0.127 -0.422 5.970 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.779 0.799 6.607 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -2.263 -0.881 6.725 1.00 0.00 H new ATOM 0 HG LEU A 27 -3.162 -0.121 8.664 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.704 -0.607 10.590 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.537 -1.831 9.309 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.285 -0.583 9.516 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -2.259 1.727 10.022 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.863 1.845 8.925 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -2.498 2.209 8.326 1.00 0.00 H new ATOM 415 N CYS A 28 0.728 1.621 7.610 1.00 0.00 N ATOM 416 CA CYS A 28 1.543 2.563 8.367 1.00 0.00 C ATOM 417 C CYS A 28 1.591 2.177 9.842 1.00 0.00 C ATOM 418 O CYS A 28 0.690 1.510 10.351 1.00 0.00 O ATOM 419 CB CYS A 28 0.992 3.982 8.217 1.00 0.00 C ATOM 420 SG CYS A 28 2.127 5.286 8.793 1.00 0.00 S ATOM 0 H CYS A 28 0.168 2.047 6.871 1.00 0.00 H new ATOM 0 HA CYS A 28 2.557 2.531 7.968 1.00 0.00 H new ATOM 0 HB2 CYS A 28 0.755 4.159 7.168 1.00 0.00 H new ATOM 0 HB3 CYS A 28 0.057 4.058 8.772 1.00 0.00 H new ATOM 425 N LYS A 29 2.649 2.602 10.525 1.00 0.00 N ATOM 426 CA LYS A 29 2.815 2.304 11.943 1.00 0.00 C ATOM 427 C LYS A 29 2.874 3.587 12.766 1.00 0.00 C ATOM 428 O LYS A 29 2.486 3.603 13.934 1.00 0.00 O ATOM 429 CB LYS A 29 4.088 1.483 12.166 1.00 0.00 C ATOM 430 CG LYS A 29 4.146 0.213 11.336 1.00 0.00 C ATOM 431 CD LYS A 29 4.892 -0.894 12.062 1.00 0.00 C ATOM 432 CE LYS A 29 6.351 -0.528 12.288 1.00 0.00 C ATOM 433 NZ LYS A 29 7.039 -1.511 13.170 1.00 0.00 N ATOM 0 H LYS A 29 3.405 3.154 10.119 1.00 0.00 H new ATOM 0 HA LYS A 29 1.953 1.723 12.270 1.00 0.00 H new ATOM 0 HB2 LYS A 29 4.955 2.101 11.930 1.00 0.00 H new ATOM 0 HB3 LYS A 29 4.161 1.221 13.221 1.00 0.00 H new ATOM 0 HG2 LYS A 29 3.134 -0.119 11.106 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.637 0.421 10.385 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.412 -1.089 13.021 1.00 0.00 H new ATOM 0 HD3 LYS A 29 4.832 -1.815 11.482 1.00 0.00 H new ATOM 0 HE2 LYS A 29 6.866 -0.478 11.329 1.00 0.00 H new ATOM 0 HE3 LYS A 29 6.412 0.465 12.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 7.647 -1.005 13.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 6.330 -2.066 13.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 7.621 -2.149 12.591 1.00 0.00 H new ATOM 447 N ILE A 30 3.359 4.658 12.148 1.00 0.00 N ATOM 448 CA ILE A 30 3.465 5.946 12.823 1.00 0.00 C ATOM 449 C ILE A 30 2.087 6.535 13.104 1.00 0.00 C ATOM 450 O ILE A 30 1.671 6.649 14.257 1.00 0.00 O ATOM 451 CB ILE A 30 4.282 6.952 11.992 1.00 0.00 C ATOM 452 CG1 ILE A 30 5.744 6.509 11.906 1.00 0.00 C ATOM 453 CG2 ILE A 30 4.179 8.345 12.595 1.00 0.00 C ATOM 454 CD1 ILE A 30 6.011 5.516 10.797 1.00 0.00 C ATOM 0 H ILE A 30 3.685 4.660 11.181 1.00 0.00 H new ATOM 0 HA ILE A 30 3.979 5.766 13.767 1.00 0.00 H new ATOM 0 HB ILE A 30 3.872 6.983 10.982 1.00 0.00 H new ATOM 0 HG12 ILE A 30 6.373 7.387 11.756 1.00 0.00 H new ATOM 0 HG13 ILE A 30 6.037 6.066 12.858 1.00 0.00 H new ATOM 0 HG21 ILE A 30 4.762 9.045 11.996 1.00 0.00 H new ATOM 0 HG22 ILE A 30 3.136 8.660 12.608 1.00 0.00 H new ATOM 0 HG23 ILE A 30 4.566 8.330 13.614 1.00 0.00 H new ATOM 0 HD11 ILE A 30 7.067 5.247 10.796 1.00 0.00 H new ATOM 0 HD12 ILE A 30 5.409 4.622 10.957 1.00 0.00 H new ATOM 0 HD13 ILE A 30 5.750 5.963 9.838 1.00 0.00 H new ATOM 466 N CYS A 31 1.381 6.906 12.041 1.00 0.00 N ATOM 467 CA CYS A 31 0.048 7.482 12.170 1.00 0.00 C ATOM 468 C CYS A 31 -1.019 6.392 12.162 1.00 0.00 C ATOM 469 O CYS A 31 -2.049 6.512 12.825 1.00 0.00 O ATOM 470 CB CYS A 31 -0.213 8.475 11.036 1.00 0.00 C ATOM 471 SG CYS A 31 -0.469 7.696 9.410 1.00 0.00 S ATOM 0 H CYS A 31 1.710 6.818 11.080 1.00 0.00 H new ATOM 0 HA CYS A 31 -0.003 8.008 13.123 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -1.092 9.071 11.284 1.00 0.00 H new ATOM 0 HB3 CYS A 31 0.630 9.163 10.969 1.00 0.00 H new ATOM 476 N MET A 32 -0.765 5.328 11.407 1.00 0.00 N ATOM 477 CA MET A 32 -1.703 4.215 11.314 1.00 0.00 C ATOM 478 C MET A 32 -3.066 4.693 10.824 1.00 0.00 C ATOM 479 O MET A 32 -4.100 4.324 11.381 1.00 0.00 O ATOM 480 CB MET A 32 -1.848 3.527 12.672 1.00 0.00 C ATOM 481 CG MET A 32 -0.596 2.788 13.116 1.00 0.00 C ATOM 482 SD MET A 32 -0.964 1.360 14.154 1.00 0.00 S ATOM 483 CE MET A 32 -0.474 0.019 13.072 1.00 0.00 C ATOM 0 H MET A 32 0.082 5.213 10.851 1.00 0.00 H new ATOM 0 HA MET A 32 -1.308 3.499 10.593 1.00 0.00 H new ATOM 0 HB2 MET A 32 -2.104 4.274 13.423 1.00 0.00 H new ATOM 0 HB3 MET A 32 -2.679 2.823 12.626 1.00 0.00 H new ATOM 0 HG2 MET A 32 -0.041 2.460 12.237 1.00 0.00 H new ATOM 0 HG3 MET A 32 0.051 3.473 13.664 1.00 0.00 H new ATOM 0 HE1 MET A 32 -1.128 -0.837 13.235 1.00 0.00 H new ATOM 0 HE2 MET A 32 -0.551 0.342 12.034 1.00 0.00 H new ATOM 0 HE3 MET A 32 0.556 -0.265 13.288 1.00 0.00 H new ATOM 493 N ASP A 33 -3.060 5.516 9.781 1.00 0.00 N ATOM 494 CA ASP A 33 -4.297 6.044 9.217 1.00 0.00 C ATOM 495 C ASP A 33 -4.391 5.732 7.727 1.00 0.00 C ATOM 496 O ASP A 33 -5.457 5.378 7.222 1.00 0.00 O ATOM 497 CB ASP A 33 -4.381 7.555 9.440 1.00 0.00 C ATOM 498 CG ASP A 33 -5.079 7.910 10.738 1.00 0.00 C ATOM 499 OD1 ASP A 33 -5.103 7.059 11.652 1.00 0.00 O ATOM 500 OD2 ASP A 33 -5.602 9.039 10.840 1.00 0.00 O ATOM 0 H ASP A 33 -2.213 5.832 9.309 1.00 0.00 H new ATOM 0 HA ASP A 33 -5.133 5.563 9.725 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -3.375 7.975 9.445 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -4.914 8.013 8.607 1.00 0.00 H new ATOM 505 N ARG A 34 -3.268 5.866 7.027 1.00 0.00 N ATOM 506 CA ARG A 34 -3.225 5.600 5.595 1.00 0.00 C ATOM 507 C ARG A 34 -2.487 4.296 5.306 1.00 0.00 C ATOM 508 O ARG A 34 -1.975 3.647 6.216 1.00 0.00 O ATOM 509 CB ARG A 34 -2.544 6.757 4.860 1.00 0.00 C ATOM 510 CG ARG A 34 -3.131 8.119 5.194 1.00 0.00 C ATOM 511 CD ARG A 34 -2.747 9.161 4.155 1.00 0.00 C ATOM 512 NE ARG A 34 -3.386 8.909 2.866 1.00 0.00 N ATOM 513 CZ ARG A 34 -4.684 9.082 2.644 1.00 0.00 C ATOM 514 NH1 ARG A 34 -5.477 9.504 3.619 1.00 0.00 N ATOM 515 NH2 ARG A 34 -5.192 8.832 1.443 1.00 0.00 N ATOM 0 H ARG A 34 -2.377 6.157 7.429 1.00 0.00 H new ATOM 0 HA ARG A 34 -4.250 5.504 5.238 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -1.482 6.758 5.106 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -2.622 6.590 3.786 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -4.217 8.044 5.252 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -2.781 8.437 6.176 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -3.030 10.151 4.513 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -1.664 9.165 4.028 1.00 0.00 H new ATOM 0 HE ARG A 34 -2.804 8.583 2.095 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -5.091 9.697 4.543 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -6.473 9.636 3.445 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -4.585 8.507 0.690 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -6.189 8.965 1.273 1.00 0.00 H new ATOM 529 N ASN A 35 -2.438 3.920 4.032 1.00 0.00 N ATOM 530 CA ASN A 35 -1.764 2.693 3.623 1.00 0.00 C ATOM 531 C ASN A 35 -0.344 2.985 3.146 1.00 0.00 C ATOM 532 O ASN A 35 -0.092 4.005 2.504 1.00 0.00 O ATOM 533 CB ASN A 35 -2.554 1.999 2.512 1.00 0.00 C ATOM 534 CG ASN A 35 -3.858 1.408 3.012 1.00 0.00 C ATOM 535 OD1 ASN A 35 -3.971 0.197 3.205 1.00 0.00 O ATOM 536 ND2 ASN A 35 -4.851 2.263 3.225 1.00 0.00 N ATOM 0 H ASN A 35 -2.857 4.447 3.266 1.00 0.00 H new ATOM 0 HA ASN A 35 -1.709 2.032 4.488 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -2.764 2.715 1.717 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -1.944 1.208 2.075 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -5.752 1.924 3.562 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -4.713 3.259 3.052 1.00 0.00 H new ATOM 543 N ILE A 36 0.578 2.083 3.465 1.00 0.00 N ATOM 544 CA ILE A 36 1.971 2.244 3.067 1.00 0.00 C ATOM 545 C ILE A 36 2.137 2.069 1.562 1.00 0.00 C ATOM 546 O ILE A 36 1.919 0.983 1.025 1.00 0.00 O ATOM 547 CB ILE A 36 2.883 1.236 3.793 1.00 0.00 C ATOM 548 CG1 ILE A 36 2.269 -0.164 3.749 1.00 0.00 C ATOM 549 CG2 ILE A 36 3.115 1.674 5.232 1.00 0.00 C ATOM 550 CD1 ILE A 36 3.291 -1.275 3.842 1.00 0.00 C ATOM 0 H ILE A 36 0.386 1.234 3.997 1.00 0.00 H new ATOM 0 HA ILE A 36 2.264 3.256 3.347 1.00 0.00 H new ATOM 0 HB ILE A 36 3.846 1.206 3.283 1.00 0.00 H new ATOM 0 HG12 ILE A 36 1.558 -0.266 4.569 1.00 0.00 H new ATOM 0 HG13 ILE A 36 1.706 -0.276 2.823 1.00 0.00 H new ATOM 0 HG21 ILE A 36 3.761 0.952 5.732 1.00 0.00 H new ATOM 0 HG22 ILE A 36 3.591 2.655 5.242 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.160 1.729 5.754 1.00 0.00 H new ATOM 0 HD11 ILE A 36 2.784 -2.239 3.805 1.00 0.00 H new ATOM 0 HD12 ILE A 36 3.988 -1.199 3.008 1.00 0.00 H new ATOM 0 HD13 ILE A 36 3.838 -1.189 4.781 1.00 0.00 H new ATOM 562 N ALA A 37 2.527 3.145 0.886 1.00 0.00 N ATOM 563 CA ALA A 37 2.726 3.110 -0.557 1.00 0.00 C ATOM 564 C ALA A 37 4.025 3.807 -0.949 1.00 0.00 C ATOM 565 O ALA A 37 4.197 4.220 -2.096 1.00 0.00 O ATOM 566 CB ALA A 37 1.545 3.753 -1.269 1.00 0.00 C ATOM 0 H ALA A 37 2.711 4.052 1.315 1.00 0.00 H new ATOM 0 HA ALA A 37 2.797 2.066 -0.864 1.00 0.00 H new ATOM 0 HB1 ALA A 37 1.708 3.720 -2.346 1.00 0.00 H new ATOM 0 HB2 ALA A 37 0.632 3.210 -1.023 1.00 0.00 H new ATOM 0 HB3 ALA A 37 1.448 4.790 -0.949 1.00 0.00 H new ATOM 572 N ILE A 38 4.935 3.934 0.010 1.00 0.00 N ATOM 573 CA ILE A 38 6.219 4.580 -0.235 1.00 0.00 C ATOM 574 C ILE A 38 7.332 3.913 0.565 1.00 0.00 C ATOM 575 O ILE A 38 7.147 3.555 1.728 1.00 0.00 O ATOM 576 CB ILE A 38 6.172 6.078 0.120 1.00 0.00 C ATOM 577 CG1 ILE A 38 5.158 6.803 -0.766 1.00 0.00 C ATOM 578 CG2 ILE A 38 7.553 6.700 -0.026 1.00 0.00 C ATOM 579 CD1 ILE A 38 5.585 6.905 -2.214 1.00 0.00 C ATOM 0 H ILE A 38 4.807 3.598 0.965 1.00 0.00 H new ATOM 0 HA ILE A 38 6.428 4.474 -1.300 1.00 0.00 H new ATOM 0 HB ILE A 38 5.857 6.181 1.158 1.00 0.00 H new ATOM 0 HG12 ILE A 38 4.203 6.281 -0.713 1.00 0.00 H new ATOM 0 HG13 ILE A 38 4.995 7.806 -0.372 1.00 0.00 H new ATOM 0 HG21 ILE A 38 7.504 7.759 0.228 1.00 0.00 H new ATOM 0 HG22 ILE A 38 8.251 6.198 0.644 1.00 0.00 H new ATOM 0 HG23 ILE A 38 7.895 6.589 -1.055 1.00 0.00 H new ATOM 0 HD11 ILE A 38 4.818 7.431 -2.783 1.00 0.00 H new ATOM 0 HD12 ILE A 38 6.525 7.453 -2.278 1.00 0.00 H new ATOM 0 HD13 ILE A 38 5.720 5.904 -2.625 1.00 0.00 H new ATOM 591 N VAL A 39 8.491 3.750 -0.066 1.00 0.00 N ATOM 592 CA VAL A 39 9.637 3.129 0.588 1.00 0.00 C ATOM 593 C VAL A 39 10.792 4.115 0.726 1.00 0.00 C ATOM 594 O VAL A 39 10.700 5.261 0.286 1.00 0.00 O ATOM 595 CB VAL A 39 10.123 1.891 -0.188 1.00 0.00 C ATOM 596 CG1 VAL A 39 8.942 1.041 -0.631 1.00 0.00 C ATOM 597 CG2 VAL A 39 10.967 2.310 -1.383 1.00 0.00 C ATOM 0 H VAL A 39 8.661 4.039 -1.029 1.00 0.00 H new ATOM 0 HA VAL A 39 9.307 2.820 1.580 1.00 0.00 H new ATOM 0 HB VAL A 39 10.745 1.289 0.474 1.00 0.00 H new ATOM 0 HG11 VAL A 39 9.305 0.171 -1.178 1.00 0.00 H new ATOM 0 HG12 VAL A 39 8.382 0.712 0.244 1.00 0.00 H new ATOM 0 HG13 VAL A 39 8.292 1.630 -1.277 1.00 0.00 H new ATOM 0 HG21 VAL A 39 11.302 1.423 -1.920 1.00 0.00 H new ATOM 0 HG22 VAL A 39 10.371 2.934 -2.049 1.00 0.00 H new ATOM 0 HG23 VAL A 39 11.833 2.874 -1.037 1.00 0.00 H new ATOM 607 N PHE A 40 11.879 3.661 1.341 1.00 0.00 N ATOM 608 CA PHE A 40 13.053 4.503 1.538 1.00 0.00 C ATOM 609 C PHE A 40 14.246 3.966 0.752 1.00 0.00 C ATOM 610 O PHE A 40 14.302 2.782 0.419 1.00 0.00 O ATOM 611 CB PHE A 40 13.403 4.587 3.025 1.00 0.00 C ATOM 612 CG PHE A 40 12.338 5.244 3.855 1.00 0.00 C ATOM 613 CD1 PHE A 40 11.834 6.486 3.504 1.00 0.00 C ATOM 614 CD2 PHE A 40 11.839 4.619 4.987 1.00 0.00 C ATOM 615 CE1 PHE A 40 10.855 7.093 4.267 1.00 0.00 C ATOM 616 CE2 PHE A 40 10.859 5.221 5.753 1.00 0.00 C ATOM 617 CZ PHE A 40 10.365 6.459 5.392 1.00 0.00 C ATOM 0 H PHE A 40 11.971 2.715 1.711 1.00 0.00 H new ATOM 0 HA PHE A 40 12.818 5.502 1.170 1.00 0.00 H new ATOM 0 HB2 PHE A 40 13.580 3.581 3.406 1.00 0.00 H new ATOM 0 HB3 PHE A 40 14.335 5.140 3.140 1.00 0.00 H new ATOM 0 HD1 PHE A 40 12.211 6.985 2.624 1.00 0.00 H new ATOM 0 HD2 PHE A 40 12.221 3.650 5.274 1.00 0.00 H new ATOM 0 HE1 PHE A 40 10.473 8.063 3.984 1.00 0.00 H new ATOM 0 HE2 PHE A 40 10.480 4.724 6.633 1.00 0.00 H new ATOM 0 HZ PHE A 40 9.597 6.930 5.988 1.00 0.00 H new ATOM 627 N VAL A 41 15.199 4.845 0.460 1.00 0.00 N ATOM 628 CA VAL A 41 16.392 4.460 -0.286 1.00 0.00 C ATOM 629 C VAL A 41 17.658 4.930 0.422 1.00 0.00 C ATOM 630 O VAL A 41 17.742 6.055 0.915 1.00 0.00 O ATOM 631 CB VAL A 41 16.371 5.036 -1.714 1.00 0.00 C ATOM 632 CG1 VAL A 41 17.783 5.135 -2.270 1.00 0.00 C ATOM 633 CG2 VAL A 41 15.491 4.187 -2.618 1.00 0.00 C ATOM 0 H VAL A 41 15.169 5.829 0.728 1.00 0.00 H new ATOM 0 HA VAL A 41 16.393 3.371 -0.342 1.00 0.00 H new ATOM 0 HB VAL A 41 15.950 6.041 -1.676 1.00 0.00 H new ATOM 0 HG11 VAL A 41 17.749 5.544 -3.280 1.00 0.00 H new ATOM 0 HG12 VAL A 41 18.380 5.789 -1.634 1.00 0.00 H new ATOM 0 HG13 VAL A 41 18.234 4.143 -2.296 1.00 0.00 H new ATOM 0 HG21 VAL A 41 15.488 4.609 -3.623 1.00 0.00 H new ATOM 0 HG22 VAL A 41 15.880 3.169 -2.653 1.00 0.00 H new ATOM 0 HG23 VAL A 41 14.474 4.174 -2.227 1.00 0.00 H new ATOM 643 N PRO A 42 18.668 4.049 0.475 1.00 0.00 N ATOM 644 CA PRO A 42 18.579 2.707 -0.107 1.00 0.00 C ATOM 645 C PRO A 42 17.621 1.804 0.662 1.00 0.00 C ATOM 646 O PRO A 42 16.709 1.212 0.084 1.00 0.00 O ATOM 647 CB PRO A 42 20.012 2.179 -0.003 1.00 0.00 C ATOM 648 CG PRO A 42 20.611 2.934 1.133 1.00 0.00 C ATOM 649 CD PRO A 42 19.974 4.295 1.108 1.00 0.00 C ATOM 0 HA PRO A 42 18.192 2.730 -1.126 1.00 0.00 H new ATOM 0 HB2 PRO A 42 20.026 1.105 0.184 1.00 0.00 H new ATOM 0 HB3 PRO A 42 20.565 2.349 -0.927 1.00 0.00 H new ATOM 0 HG2 PRO A 42 20.419 2.431 2.081 1.00 0.00 H new ATOM 0 HG3 PRO A 42 21.693 3.008 1.025 1.00 0.00 H new ATOM 0 HD2 PRO A 42 19.863 4.705 2.112 1.00 0.00 H new ATOM 0 HD3 PRO A 42 20.570 5.007 0.537 1.00 0.00 H new ATOM 657 N CYS A 43 17.833 1.702 1.970 1.00 0.00 N ATOM 658 CA CYS A 43 16.989 0.871 2.820 1.00 0.00 C ATOM 659 C CYS A 43 15.516 1.045 2.461 1.00 0.00 C ATOM 660 O CYS A 43 14.943 2.117 2.651 1.00 0.00 O ATOM 661 CB CYS A 43 17.211 1.220 4.293 1.00 0.00 C ATOM 662 SG CYS A 43 16.464 2.801 4.803 1.00 0.00 S ATOM 0 H CYS A 43 18.583 2.185 2.465 1.00 0.00 H new ATOM 0 HA CYS A 43 17.264 -0.171 2.655 1.00 0.00 H new ATOM 0 HB2 CYS A 43 16.801 0.421 4.910 1.00 0.00 H new ATOM 0 HB3 CYS A 43 18.283 1.257 4.489 1.00 0.00 H new ATOM 667 N GLY A 44 14.909 -0.017 1.941 1.00 0.00 N ATOM 668 CA GLY A 44 13.509 0.039 1.564 1.00 0.00 C ATOM 669 C GLY A 44 12.590 -0.428 2.675 1.00 0.00 C ATOM 670 O GLY A 44 12.460 -1.627 2.921 1.00 0.00 O ATOM 0 H GLY A 44 15.362 -0.916 1.774 1.00 0.00 H new ATOM 0 HA2 GLY A 44 13.251 1.062 1.289 1.00 0.00 H new ATOM 0 HA3 GLY A 44 13.349 -0.579 0.680 1.00 0.00 H new ATOM 674 N HIS A 45 11.951 0.522 3.351 1.00 0.00 N ATOM 675 CA HIS A 45 11.040 0.202 4.444 1.00 0.00 C ATOM 676 C HIS A 45 9.697 0.902 4.255 1.00 0.00 C ATOM 677 O HIS A 45 9.553 2.085 4.566 1.00 0.00 O ATOM 678 CB HIS A 45 11.655 0.607 5.784 1.00 0.00 C ATOM 679 CG HIS A 45 12.843 -0.219 6.172 1.00 0.00 C ATOM 680 ND1 HIS A 45 14.141 0.235 6.072 1.00 0.00 N ATOM 681 CD2 HIS A 45 12.923 -1.478 6.664 1.00 0.00 C ATOM 682 CE1 HIS A 45 14.968 -0.709 6.484 1.00 0.00 C ATOM 683 NE2 HIS A 45 14.254 -1.758 6.850 1.00 0.00 N ATOM 0 H HIS A 45 12.047 1.519 3.161 1.00 0.00 H new ATOM 0 HA HIS A 45 10.872 -0.875 4.440 1.00 0.00 H new ATOM 0 HB2 HIS A 45 11.951 1.655 5.737 1.00 0.00 H new ATOM 0 HB3 HIS A 45 10.896 0.525 6.562 1.00 0.00 H new ATOM 0 HD2 HIS A 45 12.094 -2.139 6.871 1.00 0.00 H new ATOM 0 HE1 HIS A 45 16.045 -0.635 6.516 1.00 0.00 H new ATOM 0 HE2 HIS A 45 14.630 -2.634 7.212 1.00 0.00 H new ATOM 691 N LEU A 46 8.718 0.164 3.743 1.00 0.00 N ATOM 692 CA LEU A 46 7.387 0.714 3.512 1.00 0.00 C ATOM 693 C LEU A 46 6.577 0.740 4.804 1.00 0.00 C ATOM 694 O LEU A 46 5.403 0.370 4.820 1.00 0.00 O ATOM 695 CB LEU A 46 6.652 -0.107 2.452 1.00 0.00 C ATOM 696 CG LEU A 46 6.721 -1.626 2.612 1.00 0.00 C ATOM 697 CD1 LEU A 46 7.975 -2.176 1.951 1.00 0.00 C ATOM 698 CD2 LEU A 46 6.681 -2.009 4.085 1.00 0.00 C ATOM 0 H LEU A 46 8.821 -0.816 3.480 1.00 0.00 H new ATOM 0 HA LEU A 46 7.500 1.738 3.156 1.00 0.00 H new ATOM 0 HB2 LEU A 46 5.604 0.191 2.453 1.00 0.00 H new ATOM 0 HB3 LEU A 46 7.057 0.154 1.474 1.00 0.00 H new ATOM 0 HG LEU A 46 5.853 -2.064 2.119 1.00 0.00 H new ATOM 0 HD11 LEU A 46 8.007 -3.258 2.075 1.00 0.00 H new ATOM 0 HD12 LEU A 46 7.963 -1.933 0.889 1.00 0.00 H new ATOM 0 HD13 LEU A 46 8.856 -1.732 2.415 1.00 0.00 H new ATOM 0 HD21 LEU A 46 6.731 -3.094 4.180 1.00 0.00 H new ATOM 0 HD22 LEU A 46 7.530 -1.560 4.601 1.00 0.00 H new ATOM 0 HD23 LEU A 46 5.754 -1.648 4.530 1.00 0.00 H new ATOM 710 N VAL A 47 7.211 1.183 5.885 1.00 0.00 N ATOM 711 CA VAL A 47 6.548 1.262 7.181 1.00 0.00 C ATOM 712 C VAL A 47 5.899 2.626 7.385 1.00 0.00 C ATOM 713 O VAL A 47 5.508 2.981 8.498 1.00 0.00 O ATOM 714 CB VAL A 47 7.535 0.998 8.333 1.00 0.00 C ATOM 715 CG1 VAL A 47 8.138 -0.393 8.213 1.00 0.00 C ATOM 716 CG2 VAL A 47 8.625 2.060 8.354 1.00 0.00 C ATOM 0 H VAL A 47 8.183 1.493 5.889 1.00 0.00 H new ATOM 0 HA VAL A 47 5.777 0.492 7.189 1.00 0.00 H new ATOM 0 HB VAL A 47 6.989 1.051 9.275 1.00 0.00 H new ATOM 0 HG11 VAL A 47 8.833 -0.561 9.036 1.00 0.00 H new ATOM 0 HG12 VAL A 47 7.344 -1.138 8.251 1.00 0.00 H new ATOM 0 HG13 VAL A 47 8.670 -0.478 7.266 1.00 0.00 H new ATOM 0 HG21 VAL A 47 9.314 1.858 9.174 1.00 0.00 H new ATOM 0 HG22 VAL A 47 9.169 2.041 7.410 1.00 0.00 H new ATOM 0 HG23 VAL A 47 8.173 3.042 8.493 1.00 0.00 H new ATOM 726 N THR A 48 5.786 3.389 6.302 1.00 0.00 N ATOM 727 CA THR A 48 5.185 4.716 6.362 1.00 0.00 C ATOM 728 C THR A 48 4.278 4.963 5.161 1.00 0.00 C ATOM 729 O THR A 48 4.400 4.298 4.132 1.00 0.00 O ATOM 730 CB THR A 48 6.259 5.818 6.414 1.00 0.00 C ATOM 731 OG1 THR A 48 6.983 5.856 5.179 1.00 0.00 O ATOM 732 CG2 THR A 48 7.224 5.578 7.566 1.00 0.00 C ATOM 0 H THR A 48 6.103 3.111 5.373 1.00 0.00 H new ATOM 0 HA THR A 48 4.593 4.753 7.276 1.00 0.00 H new ATOM 0 HB THR A 48 5.760 6.774 6.571 1.00 0.00 H new ATOM 0 HG1 THR A 48 7.929 6.035 5.360 1.00 0.00 H new ATOM 0 HG21 THR A 48 7.974 6.369 7.583 1.00 0.00 H new ATOM 0 HG22 THR A 48 6.674 5.579 8.507 1.00 0.00 H new ATOM 0 HG23 THR A 48 7.716 4.614 7.434 1.00 0.00 H new ATOM 740 N CYS A 49 3.369 5.922 5.299 1.00 0.00 N ATOM 741 CA CYS A 49 2.442 6.258 4.226 1.00 0.00 C ATOM 742 C CYS A 49 2.832 7.575 3.562 1.00 0.00 C ATOM 743 O CYS A 49 3.548 8.390 4.145 1.00 0.00 O ATOM 744 CB CYS A 49 1.014 6.350 4.768 1.00 0.00 C ATOM 745 SG CYS A 49 0.761 7.692 5.973 1.00 0.00 S ATOM 0 H CYS A 49 3.255 6.481 6.145 1.00 0.00 H new ATOM 0 HA CYS A 49 2.489 5.467 3.478 1.00 0.00 H new ATOM 0 HB2 CYS A 49 0.328 6.492 3.933 1.00 0.00 H new ATOM 0 HB3 CYS A 49 0.753 5.401 5.237 1.00 0.00 H new ATOM 750 N LYS A 50 2.355 7.778 2.338 1.00 0.00 N ATOM 751 CA LYS A 50 2.651 8.997 1.594 1.00 0.00 C ATOM 752 C LYS A 50 2.760 10.195 2.532 1.00 0.00 C ATOM 753 O LYS A 50 3.639 11.041 2.373 1.00 0.00 O ATOM 754 CB LYS A 50 1.568 9.254 0.544 1.00 0.00 C ATOM 755 CG LYS A 50 1.760 8.459 -0.736 1.00 0.00 C ATOM 756 CD LYS A 50 2.898 9.018 -1.573 1.00 0.00 C ATOM 757 CE LYS A 50 2.483 10.287 -2.303 1.00 0.00 C ATOM 758 NZ LYS A 50 1.524 10.003 -3.406 1.00 0.00 N ATOM 0 H LYS A 50 1.762 7.114 1.840 1.00 0.00 H new ATOM 0 HA LYS A 50 3.610 8.863 1.093 1.00 0.00 H new ATOM 0 HB2 LYS A 50 0.595 9.010 0.971 1.00 0.00 H new ATOM 0 HB3 LYS A 50 1.553 10.317 0.303 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.965 7.417 -0.491 1.00 0.00 H new ATOM 0 HG3 LYS A 50 0.838 8.474 -1.317 1.00 0.00 H new ATOM 0 HD2 LYS A 50 3.753 9.230 -0.931 1.00 0.00 H new ATOM 0 HD3 LYS A 50 3.220 8.270 -2.297 1.00 0.00 H new ATOM 0 HE2 LYS A 50 2.028 10.981 -1.596 1.00 0.00 H new ATOM 0 HE3 LYS A 50 3.367 10.779 -2.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 1.461 10.831 -4.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 1.855 9.181 -3.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 0.586 9.799 -3.006 1.00 0.00 H new ATOM 772 N GLN A 51 1.861 10.258 3.509 1.00 0.00 N ATOM 773 CA GLN A 51 1.858 11.353 4.473 1.00 0.00 C ATOM 774 C GLN A 51 3.111 11.318 5.341 1.00 0.00 C ATOM 775 O GLN A 51 3.938 12.229 5.293 1.00 0.00 O ATOM 776 CB GLN A 51 0.610 11.280 5.355 1.00 0.00 C ATOM 777 CG GLN A 51 -0.629 11.874 4.705 1.00 0.00 C ATOM 778 CD GLN A 51 -0.862 13.318 5.105 1.00 0.00 C ATOM 779 OE1 GLN A 51 0.070 14.122 5.143 1.00 0.00 O ATOM 780 NE2 GLN A 51 -2.111 13.655 5.405 1.00 0.00 N ATOM 0 H GLN A 51 1.127 9.565 3.654 1.00 0.00 H new ATOM 0 HA GLN A 51 1.849 12.292 3.919 1.00 0.00 H new ATOM 0 HB2 GLN A 51 0.414 10.238 5.607 1.00 0.00 H new ATOM 0 HB3 GLN A 51 0.805 11.803 6.291 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -0.531 11.812 3.621 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -1.500 11.279 4.981 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -2.853 12.956 5.360 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -2.329 14.613 5.680 1.00 0.00 H new ATOM 789 N CYS A 52 3.246 10.261 6.135 1.00 0.00 N ATOM 790 CA CYS A 52 4.397 10.106 7.015 1.00 0.00 C ATOM 791 C CYS A 52 5.700 10.179 6.224 1.00 0.00 C ATOM 792 O CYS A 52 6.483 11.115 6.382 1.00 0.00 O ATOM 793 CB CYS A 52 4.317 8.776 7.766 1.00 0.00 C ATOM 794 SG CYS A 52 3.019 8.720 9.043 1.00 0.00 S ATOM 0 H CYS A 52 2.571 9.498 6.187 1.00 0.00 H new ATOM 0 HA CYS A 52 4.384 10.923 7.736 1.00 0.00 H new ATOM 0 HB2 CYS A 52 4.140 7.976 7.048 1.00 0.00 H new ATOM 0 HB3 CYS A 52 5.281 8.577 8.234 1.00 0.00 H new ATOM 799 N ALA A 53 5.925 9.183 5.372 1.00 0.00 N ATOM 800 CA ALA A 53 7.131 9.135 4.555 1.00 0.00 C ATOM 801 C ALA A 53 7.559 10.534 4.125 1.00 0.00 C ATOM 802 O ALA A 53 8.750 10.820 4.012 1.00 0.00 O ATOM 803 CB ALA A 53 6.907 8.251 3.337 1.00 0.00 C ATOM 0 H ALA A 53 5.288 8.399 5.230 1.00 0.00 H new ATOM 0 HA ALA A 53 7.933 8.708 5.158 1.00 0.00 H new ATOM 0 HB1 ALA A 53 7.815 8.224 2.735 1.00 0.00 H new ATOM 0 HB2 ALA A 53 6.656 7.241 3.662 1.00 0.00 H new ATOM 0 HB3 ALA A 53 6.089 8.654 2.740 1.00 0.00 H new ATOM 809 N GLU A 54 6.579 11.400 3.885 1.00 0.00 N ATOM 810 CA GLU A 54 6.857 12.769 3.466 1.00 0.00 C ATOM 811 C GLU A 54 7.315 13.618 4.648 1.00 0.00 C ATOM 812 O GLU A 54 8.264 14.394 4.537 1.00 0.00 O ATOM 813 CB GLU A 54 5.613 13.392 2.828 1.00 0.00 C ATOM 814 CG GLU A 54 5.342 12.900 1.416 1.00 0.00 C ATOM 815 CD GLU A 54 6.297 13.491 0.398 1.00 0.00 C ATOM 816 OE1 GLU A 54 7.478 13.701 0.745 1.00 0.00 O ATOM 817 OE2 GLU A 54 5.864 13.745 -0.745 1.00 0.00 O ATOM 0 H GLU A 54 5.587 11.178 3.973 1.00 0.00 H new ATOM 0 HA GLU A 54 7.660 12.741 2.729 1.00 0.00 H new ATOM 0 HB2 GLU A 54 4.747 13.174 3.452 1.00 0.00 H new ATOM 0 HB3 GLU A 54 5.728 14.476 2.810 1.00 0.00 H new ATOM 0 HG2 GLU A 54 5.420 11.813 1.393 1.00 0.00 H new ATOM 0 HG3 GLU A 54 4.319 13.152 1.138 1.00 0.00 H new ATOM 824 N ALA A 55 6.633 13.465 5.778 1.00 0.00 N ATOM 825 CA ALA A 55 6.970 14.216 6.981 1.00 0.00 C ATOM 826 C ALA A 55 8.312 13.767 7.550 1.00 0.00 C ATOM 827 O ALA A 55 9.143 14.592 7.932 1.00 0.00 O ATOM 828 CB ALA A 55 5.874 14.061 8.025 1.00 0.00 C ATOM 0 H ALA A 55 5.844 12.828 5.886 1.00 0.00 H new ATOM 0 HA ALA A 55 7.053 15.269 6.711 1.00 0.00 H new ATOM 0 HB1 ALA A 55 6.139 14.627 8.918 1.00 0.00 H new ATOM 0 HB2 ALA A 55 4.933 14.437 7.623 1.00 0.00 H new ATOM 0 HB3 ALA A 55 5.763 13.008 8.283 1.00 0.00 H new ATOM 834 N VAL A 56 8.518 12.455 7.605 1.00 0.00 N ATOM 835 CA VAL A 56 9.759 11.897 8.127 1.00 0.00 C ATOM 836 C VAL A 56 10.949 12.297 7.261 1.00 0.00 C ATOM 837 O VAL A 56 10.996 11.985 6.071 1.00 0.00 O ATOM 838 CB VAL A 56 9.693 10.361 8.211 1.00 0.00 C ATOM 839 CG1 VAL A 56 8.618 9.925 9.195 1.00 0.00 C ATOM 840 CG2 VAL A 56 9.441 9.763 6.834 1.00 0.00 C ATOM 0 H VAL A 56 7.841 11.759 7.294 1.00 0.00 H new ATOM 0 HA VAL A 56 9.890 12.303 9.130 1.00 0.00 H new ATOM 0 HB VAL A 56 10.653 9.993 8.572 1.00 0.00 H new ATOM 0 HG11 VAL A 56 8.586 8.836 9.241 1.00 0.00 H new ATOM 0 HG12 VAL A 56 8.847 10.323 10.184 1.00 0.00 H new ATOM 0 HG13 VAL A 56 7.650 10.303 8.867 1.00 0.00 H new ATOM 0 HG21 VAL A 56 9.397 8.677 6.912 1.00 0.00 H new ATOM 0 HG22 VAL A 56 8.495 10.137 6.442 1.00 0.00 H new ATOM 0 HG23 VAL A 56 10.250 10.046 6.161 1.00 0.00 H new ATOM 850 N ASP A 57 11.908 12.989 7.866 1.00 0.00 N ATOM 851 CA ASP A 57 13.099 13.431 7.151 1.00 0.00 C ATOM 852 C ASP A 57 14.032 12.257 6.872 1.00 0.00 C ATOM 853 O ASP A 57 14.757 12.249 5.877 1.00 0.00 O ATOM 854 CB ASP A 57 13.835 14.503 7.956 1.00 0.00 C ATOM 855 CG ASP A 57 12.956 15.698 8.268 1.00 0.00 C ATOM 856 OD1 ASP A 57 12.257 15.666 9.303 1.00 0.00 O ATOM 857 OD2 ASP A 57 12.966 16.665 7.478 1.00 0.00 O ATOM 0 H ASP A 57 11.884 13.256 8.850 1.00 0.00 H new ATOM 0 HA ASP A 57 12.784 13.856 6.198 1.00 0.00 H new ATOM 0 HB2 ASP A 57 14.197 14.069 8.888 1.00 0.00 H new ATOM 0 HB3 ASP A 57 14.710 14.835 7.398 1.00 0.00 H new ATOM 862 N LYS A 58 14.010 11.266 7.757 1.00 0.00 N ATOM 863 CA LYS A 58 14.852 10.086 7.608 1.00 0.00 C ATOM 864 C LYS A 58 14.151 8.844 8.148 1.00 0.00 C ATOM 865 O LYS A 58 13.402 8.917 9.122 1.00 0.00 O ATOM 866 CB LYS A 58 16.184 10.289 8.334 1.00 0.00 C ATOM 867 CG LYS A 58 16.028 10.610 9.811 1.00 0.00 C ATOM 868 CD LYS A 58 17.367 10.600 10.528 1.00 0.00 C ATOM 869 CE LYS A 58 18.035 11.966 10.480 1.00 0.00 C ATOM 870 NZ LYS A 58 19.046 12.128 11.561 1.00 0.00 N ATOM 0 H LYS A 58 13.417 11.257 8.587 1.00 0.00 H new ATOM 0 HA LYS A 58 15.043 9.940 6.545 1.00 0.00 H new ATOM 0 HB2 LYS A 58 16.787 9.387 8.228 1.00 0.00 H new ATOM 0 HB3 LYS A 58 16.732 11.098 7.851 1.00 0.00 H new ATOM 0 HG2 LYS A 58 15.561 11.588 9.924 1.00 0.00 H new ATOM 0 HG3 LYS A 58 15.361 9.883 10.274 1.00 0.00 H new ATOM 0 HD2 LYS A 58 17.223 10.301 11.566 1.00 0.00 H new ATOM 0 HD3 LYS A 58 18.021 9.858 10.070 1.00 0.00 H new ATOM 0 HE2 LYS A 58 18.515 12.102 9.511 1.00 0.00 H new ATOM 0 HE3 LYS A 58 17.277 12.744 10.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 19.478 13.072 11.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 18.584 12.024 12.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 19.783 11.402 11.459 1.00 0.00 H new ATOM 884 N CYS A 59 14.399 7.705 7.510 1.00 0.00 N ATOM 885 CA CYS A 59 13.792 6.447 7.926 1.00 0.00 C ATOM 886 C CYS A 59 13.618 6.402 9.442 1.00 0.00 C ATOM 887 O CYS A 59 14.585 6.426 10.203 1.00 0.00 O ATOM 888 CB CYS A 59 14.649 5.266 7.465 1.00 0.00 C ATOM 889 SG CYS A 59 13.793 3.659 7.524 1.00 0.00 S ATOM 0 H CYS A 59 15.017 7.628 6.702 1.00 0.00 H new ATOM 0 HA CYS A 59 12.808 6.376 7.462 1.00 0.00 H new ATOM 0 HB2 CYS A 59 14.984 5.450 6.444 1.00 0.00 H new ATOM 0 HB3 CYS A 59 15.542 5.213 8.088 1.00 0.00 H new ATOM 894 N PRO A 60 12.356 6.336 9.891 1.00 0.00 N ATOM 895 CA PRO A 60 12.025 6.286 11.318 1.00 0.00 C ATOM 896 C PRO A 60 12.426 4.962 11.960 1.00 0.00 C ATOM 897 O PRO A 60 12.079 4.688 13.108 1.00 0.00 O ATOM 898 CB PRO A 60 10.503 6.449 11.335 1.00 0.00 C ATOM 899 CG PRO A 60 10.054 5.956 10.003 1.00 0.00 C ATOM 900 CD PRO A 60 11.155 6.305 9.039 1.00 0.00 C ATOM 0 HA PRO A 60 12.556 7.050 11.886 1.00 0.00 H new ATOM 0 HB2 PRO A 60 10.052 5.873 12.143 1.00 0.00 H new ATOM 0 HB3 PRO A 60 10.218 7.490 11.488 1.00 0.00 H new ATOM 0 HG2 PRO A 60 9.880 4.880 10.024 1.00 0.00 H new ATOM 0 HG3 PRO A 60 9.115 6.425 9.709 1.00 0.00 H new ATOM 0 HD2 PRO A 60 11.244 5.563 8.245 1.00 0.00 H new ATOM 0 HD3 PRO A 60 10.978 7.267 8.558 1.00 0.00 H new ATOM 908 N MET A 61 13.160 4.145 11.211 1.00 0.00 N ATOM 909 CA MET A 61 13.610 2.851 11.709 1.00 0.00 C ATOM 910 C MET A 61 15.124 2.716 11.585 1.00 0.00 C ATOM 911 O MET A 61 15.789 2.210 12.489 1.00 0.00 O ATOM 912 CB MET A 61 12.921 1.719 10.944 1.00 0.00 C ATOM 913 CG MET A 61 11.412 1.696 11.122 1.00 0.00 C ATOM 914 SD MET A 61 10.719 0.038 10.966 1.00 0.00 S ATOM 915 CE MET A 61 9.802 -0.092 12.499 1.00 0.00 C ATOM 0 H MET A 61 13.455 4.356 10.258 1.00 0.00 H new ATOM 0 HA MET A 61 13.343 2.783 12.764 1.00 0.00 H new ATOM 0 HB2 MET A 61 13.152 1.815 9.883 1.00 0.00 H new ATOM 0 HB3 MET A 61 13.332 0.765 11.275 1.00 0.00 H new ATOM 0 HG2 MET A 61 11.160 2.100 12.102 1.00 0.00 H new ATOM 0 HG3 MET A 61 10.953 2.349 10.380 1.00 0.00 H new ATOM 0 HE1 MET A 61 9.694 -1.142 12.771 1.00 0.00 H new ATOM 0 HE2 MET A 61 10.338 0.434 13.289 1.00 0.00 H new ATOM 0 HE3 MET A 61 8.815 0.353 12.372 1.00 0.00 H new ATOM 925 N CYS A 62 15.664 3.173 10.459 1.00 0.00 N ATOM 926 CA CYS A 62 17.099 3.103 10.215 1.00 0.00 C ATOM 927 C CYS A 62 17.741 4.481 10.348 1.00 0.00 C ATOM 928 O CYS A 62 18.957 4.599 10.503 1.00 0.00 O ATOM 929 CB CYS A 62 17.374 2.533 8.823 1.00 0.00 C ATOM 930 SG CYS A 62 16.346 1.091 8.394 1.00 0.00 S ATOM 0 H CYS A 62 15.128 3.596 9.701 1.00 0.00 H new ATOM 0 HA CYS A 62 17.537 2.443 10.963 1.00 0.00 H new ATOM 0 HB2 CYS A 62 17.210 3.316 8.083 1.00 0.00 H new ATOM 0 HB3 CYS A 62 18.424 2.249 8.759 1.00 0.00 H new ATOM 935 N TYR A 63 16.916 5.520 10.287 1.00 0.00 N ATOM 936 CA TYR A 63 17.402 6.890 10.398 1.00 0.00 C ATOM 937 C TYR A 63 18.243 7.270 9.183 1.00 0.00 C ATOM 938 O TYR A 63 19.125 8.125 9.265 1.00 0.00 O ATOM 939 CB TYR A 63 18.226 7.059 11.675 1.00 0.00 C ATOM 940 CG TYR A 63 17.525 6.561 12.919 1.00 0.00 C ATOM 941 CD1 TYR A 63 16.236 6.979 13.227 1.00 0.00 C ATOM 942 CD2 TYR A 63 18.151 5.675 13.786 1.00 0.00 C ATOM 943 CE1 TYR A 63 15.591 6.528 14.362 1.00 0.00 C ATOM 944 CE2 TYR A 63 17.513 5.218 14.923 1.00 0.00 C ATOM 945 CZ TYR A 63 16.233 5.647 15.207 1.00 0.00 C ATOM 946 OH TYR A 63 15.596 5.194 16.339 1.00 0.00 O ATOM 0 H TYR A 63 15.907 5.440 10.161 1.00 0.00 H new ATOM 0 HA TYR A 63 16.538 7.553 10.441 1.00 0.00 H new ATOM 0 HB2 TYR A 63 19.170 6.525 11.562 1.00 0.00 H new ATOM 0 HB3 TYR A 63 18.470 8.114 11.803 1.00 0.00 H new ATOM 0 HD1 TYR A 63 15.730 7.668 12.568 1.00 0.00 H new ATOM 0 HD2 TYR A 63 19.153 5.338 13.568 1.00 0.00 H new ATOM 0 HE1 TYR A 63 14.589 6.863 14.587 1.00 0.00 H new ATOM 0 HE2 TYR A 63 18.014 4.528 15.586 1.00 0.00 H new ATOM 0 HH TYR A 63 16.187 4.580 16.823 1.00 0.00 H new ATOM 956 N THR A 64 17.961 6.629 8.053 1.00 0.00 N ATOM 957 CA THR A 64 18.690 6.897 6.820 1.00 0.00 C ATOM 958 C THR A 64 17.964 7.931 5.966 1.00 0.00 C ATOM 959 O THR A 64 16.995 7.611 5.277 1.00 0.00 O ATOM 960 CB THR A 64 18.889 5.613 5.993 1.00 0.00 C ATOM 961 OG1 THR A 64 19.772 4.720 6.680 1.00 0.00 O ATOM 962 CG2 THR A 64 19.454 5.936 4.618 1.00 0.00 C ATOM 0 H THR A 64 17.233 5.920 7.967 1.00 0.00 H new ATOM 0 HA THR A 64 19.666 7.288 7.109 1.00 0.00 H new ATOM 0 HB THR A 64 17.917 5.136 5.865 1.00 0.00 H new ATOM 0 HG1 THR A 64 19.892 3.905 6.149 1.00 0.00 H new ATOM 0 HG21 THR A 64 19.586 5.013 4.053 1.00 0.00 H new ATOM 0 HG22 THR A 64 18.765 6.592 4.086 1.00 0.00 H new ATOM 0 HG23 THR A 64 20.417 6.435 4.728 1.00 0.00 H new ATOM 970 N VAL A 65 18.439 9.171 6.015 1.00 0.00 N ATOM 971 CA VAL A 65 17.836 10.252 5.244 1.00 0.00 C ATOM 972 C VAL A 65 17.304 9.743 3.908 1.00 0.00 C ATOM 973 O VAL A 65 18.050 9.184 3.104 1.00 0.00 O ATOM 974 CB VAL A 65 18.844 11.387 4.984 1.00 0.00 C ATOM 975 CG1 VAL A 65 18.240 12.438 4.065 1.00 0.00 C ATOM 976 CG2 VAL A 65 19.294 12.009 6.297 1.00 0.00 C ATOM 0 H VAL A 65 19.240 9.452 6.581 1.00 0.00 H new ATOM 0 HA VAL A 65 17.009 10.641 5.838 1.00 0.00 H new ATOM 0 HB VAL A 65 19.719 10.967 4.488 1.00 0.00 H new ATOM 0 HG11 VAL A 65 18.967 13.232 3.893 1.00 0.00 H new ATOM 0 HG12 VAL A 65 17.972 11.979 3.114 1.00 0.00 H new ATOM 0 HG13 VAL A 65 17.348 12.858 4.529 1.00 0.00 H new ATOM 0 HG21 VAL A 65 20.006 12.809 6.095 1.00 0.00 H new ATOM 0 HG22 VAL A 65 18.430 12.416 6.822 1.00 0.00 H new ATOM 0 HG23 VAL A 65 19.769 11.248 6.916 1.00 0.00 H new ATOM 986 N ILE A 66 16.011 9.942 3.678 1.00 0.00 N ATOM 987 CA ILE A 66 15.380 9.506 2.439 1.00 0.00 C ATOM 988 C ILE A 66 16.068 10.121 1.225 1.00 0.00 C ATOM 989 O ILE A 66 15.742 11.234 0.810 1.00 0.00 O ATOM 990 CB ILE A 66 13.885 9.873 2.408 1.00 0.00 C ATOM 991 CG1 ILE A 66 13.131 9.125 3.510 1.00 0.00 C ATOM 992 CG2 ILE A 66 13.290 9.559 1.044 1.00 0.00 C ATOM 993 CD1 ILE A 66 13.010 9.907 4.799 1.00 0.00 C ATOM 0 H ILE A 66 15.380 10.402 4.334 1.00 0.00 H new ATOM 0 HA ILE A 66 15.480 8.421 2.400 1.00 0.00 H new ATOM 0 HB ILE A 66 13.785 10.943 2.588 1.00 0.00 H new ATOM 0 HG12 ILE A 66 12.132 8.876 3.151 1.00 0.00 H new ATOM 0 HG13 ILE A 66 13.641 8.183 3.713 1.00 0.00 H new ATOM 0 HG21 ILE A 66 12.233 9.824 1.038 1.00 0.00 H new ATOM 0 HG22 ILE A 66 13.812 10.133 0.278 1.00 0.00 H new ATOM 0 HG23 ILE A 66 13.398 8.494 0.836 1.00 0.00 H new ATOM 0 HD11 ILE A 66 12.464 9.315 5.534 1.00 0.00 H new ATOM 0 HD12 ILE A 66 14.005 10.133 5.182 1.00 0.00 H new ATOM 0 HD13 ILE A 66 12.473 10.837 4.611 1.00 0.00 H new ATOM 1005 N THR A 67 17.021 9.389 0.657 1.00 0.00 N ATOM 1006 CA THR A 67 17.755 9.861 -0.510 1.00 0.00 C ATOM 1007 C THR A 67 16.907 9.757 -1.772 1.00 0.00 C ATOM 1008 O THR A 67 17.063 10.547 -2.704 1.00 0.00 O ATOM 1009 CB THR A 67 19.059 9.066 -0.713 1.00 0.00 C ATOM 1010 OG1 THR A 67 20.064 9.532 0.194 1.00 0.00 O ATOM 1011 CG2 THR A 67 19.558 9.202 -2.144 1.00 0.00 C ATOM 0 H THR A 67 17.303 8.466 0.987 1.00 0.00 H new ATOM 0 HA THR A 67 18.001 10.907 -0.327 1.00 0.00 H new ATOM 0 HB THR A 67 18.852 8.014 -0.515 1.00 0.00 H new ATOM 0 HG1 THR A 67 20.889 9.020 0.059 1.00 0.00 H new ATOM 0 HG21 THR A 67 20.480 8.632 -2.264 1.00 0.00 H new ATOM 0 HG22 THR A 67 18.803 8.819 -2.831 1.00 0.00 H new ATOM 0 HG23 THR A 67 19.749 10.252 -2.364 1.00 0.00 H new ATOM 1019 N PHE A 68 16.008 8.779 -1.796 1.00 0.00 N ATOM 1020 CA PHE A 68 15.135 8.571 -2.945 1.00 0.00 C ATOM 1021 C PHE A 68 13.780 8.024 -2.507 1.00 0.00 C ATOM 1022 O PHE A 68 13.703 7.067 -1.735 1.00 0.00 O ATOM 1023 CB PHE A 68 15.787 7.611 -3.942 1.00 0.00 C ATOM 1024 CG PHE A 68 15.067 7.532 -5.258 1.00 0.00 C ATOM 1025 CD1 PHE A 68 15.366 8.417 -6.281 1.00 0.00 C ATOM 1026 CD2 PHE A 68 14.091 6.571 -5.471 1.00 0.00 C ATOM 1027 CE1 PHE A 68 14.704 8.347 -7.492 1.00 0.00 C ATOM 1028 CE2 PHE A 68 13.426 6.496 -6.681 1.00 0.00 C ATOM 1029 CZ PHE A 68 13.734 7.384 -7.693 1.00 0.00 C ATOM 0 H PHE A 68 15.865 8.118 -1.033 1.00 0.00 H new ATOM 0 HA PHE A 68 14.979 9.535 -3.429 1.00 0.00 H new ATOM 0 HB2 PHE A 68 16.815 7.926 -4.118 1.00 0.00 H new ATOM 0 HB3 PHE A 68 15.830 6.615 -3.500 1.00 0.00 H new ATOM 0 HD1 PHE A 68 16.125 9.170 -6.130 1.00 0.00 H new ATOM 0 HD2 PHE A 68 13.847 5.873 -4.683 1.00 0.00 H new ATOM 0 HE1 PHE A 68 14.945 9.045 -8.281 1.00 0.00 H new ATOM 0 HE2 PHE A 68 12.666 5.744 -6.835 1.00 0.00 H new ATOM 0 HZ PHE A 68 13.218 7.326 -8.640 1.00 0.00 H new ATOM 1039 N LYS A 69 12.712 8.638 -3.004 1.00 0.00 N ATOM 1040 CA LYS A 69 11.358 8.214 -2.665 1.00 0.00 C ATOM 1041 C LYS A 69 10.779 7.320 -3.757 1.00 0.00 C ATOM 1042 O LYS A 69 10.272 7.807 -4.766 1.00 0.00 O ATOM 1043 CB LYS A 69 10.456 9.434 -2.459 1.00 0.00 C ATOM 1044 CG LYS A 69 9.393 9.230 -1.393 1.00 0.00 C ATOM 1045 CD LYS A 69 9.920 9.570 -0.009 1.00 0.00 C ATOM 1046 CE LYS A 69 8.790 9.696 1.001 1.00 0.00 C ATOM 1047 NZ LYS A 69 7.937 10.887 0.734 1.00 0.00 N ATOM 0 H LYS A 69 12.757 9.431 -3.643 1.00 0.00 H new ATOM 0 HA LYS A 69 11.404 7.643 -1.738 1.00 0.00 H new ATOM 0 HB2 LYS A 69 11.073 10.290 -2.186 1.00 0.00 H new ATOM 0 HB3 LYS A 69 9.970 9.680 -3.403 1.00 0.00 H new ATOM 0 HG2 LYS A 69 8.527 9.853 -1.617 1.00 0.00 H new ATOM 0 HG3 LYS A 69 9.053 8.194 -1.410 1.00 0.00 H new ATOM 0 HD2 LYS A 69 10.616 8.797 0.317 1.00 0.00 H new ATOM 0 HD3 LYS A 69 10.479 10.505 -0.051 1.00 0.00 H new ATOM 0 HE2 LYS A 69 8.176 8.796 0.973 1.00 0.00 H new ATOM 0 HE3 LYS A 69 9.207 9.766 2.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 7.276 11.025 1.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 8.539 11.730 0.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 7.400 10.739 -0.144 1.00 0.00 H new ATOM 1061 N GLN A 70 10.859 6.010 -3.545 1.00 0.00 N ATOM 1062 CA GLN A 70 10.342 5.048 -4.512 1.00 0.00 C ATOM 1063 C GLN A 70 8.892 4.690 -4.201 1.00 0.00 C ATOM 1064 O GLN A 70 8.527 4.481 -3.045 1.00 0.00 O ATOM 1065 CB GLN A 70 11.202 3.783 -4.515 1.00 0.00 C ATOM 1066 CG GLN A 70 10.815 2.786 -5.595 1.00 0.00 C ATOM 1067 CD GLN A 70 10.627 3.439 -6.950 1.00 0.00 C ATOM 1068 OE1 GLN A 70 11.590 3.872 -7.583 1.00 0.00 O ATOM 1069 NE2 GLN A 70 9.381 3.511 -7.405 1.00 0.00 N ATOM 0 H GLN A 70 11.276 5.591 -2.714 1.00 0.00 H new ATOM 0 HA GLN A 70 10.381 5.507 -5.500 1.00 0.00 H new ATOM 0 HB2 GLN A 70 12.246 4.064 -4.649 1.00 0.00 H new ATOM 0 HB3 GLN A 70 11.125 3.299 -3.541 1.00 0.00 H new ATOM 0 HG2 GLN A 70 11.586 2.019 -5.669 1.00 0.00 H new ATOM 0 HG3 GLN A 70 9.892 2.283 -5.307 1.00 0.00 H new ATOM 0 HE21 GLN A 70 8.612 3.139 -6.847 1.00 0.00 H new ATOM 0 HE22 GLN A 70 9.193 3.938 -8.312 1.00 0.00 H new ATOM 1078 N LYS A 71 8.069 4.622 -5.242 1.00 0.00 N ATOM 1079 CA LYS A 71 6.658 4.289 -5.083 1.00 0.00 C ATOM 1080 C LYS A 71 6.421 2.800 -5.317 1.00 0.00 C ATOM 1081 O LYS A 71 7.055 2.190 -6.179 1.00 0.00 O ATOM 1082 CB LYS A 71 5.806 5.111 -6.051 1.00 0.00 C ATOM 1083 CG LYS A 71 4.320 5.066 -5.742 1.00 0.00 C ATOM 1084 CD LYS A 71 3.483 5.290 -6.991 1.00 0.00 C ATOM 1085 CE LYS A 71 3.171 6.764 -7.196 1.00 0.00 C ATOM 1086 NZ LYS A 71 4.380 7.537 -7.594 1.00 0.00 N ATOM 0 H LYS A 71 8.355 4.793 -6.206 1.00 0.00 H new ATOM 0 HA LYS A 71 6.367 4.529 -4.060 1.00 0.00 H new ATOM 0 HB2 LYS A 71 6.142 6.148 -6.027 1.00 0.00 H new ATOM 0 HB3 LYS A 71 5.969 4.746 -7.065 1.00 0.00 H new ATOM 0 HG2 LYS A 71 4.068 4.101 -5.302 1.00 0.00 H new ATOM 0 HG3 LYS A 71 4.079 5.827 -5.000 1.00 0.00 H new ATOM 0 HD2 LYS A 71 4.015 4.905 -7.861 1.00 0.00 H new ATOM 0 HD3 LYS A 71 2.553 4.728 -6.912 1.00 0.00 H new ATOM 0 HE2 LYS A 71 2.404 6.869 -7.963 1.00 0.00 H new ATOM 0 HE3 LYS A 71 2.761 7.180 -6.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 4.090 8.412 -8.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 4.934 7.775 -6.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 4.962 6.964 -8.239 1.00 0.00 H new ATOM 1100 N ILE A 72 5.505 2.223 -4.548 1.00 0.00 N ATOM 1101 CA ILE A 72 5.182 0.807 -4.675 1.00 0.00 C ATOM 1102 C ILE A 72 3.716 0.608 -5.044 1.00 0.00 C ATOM 1103 O ILE A 72 2.923 1.549 -5.011 1.00 0.00 O ATOM 1104 CB ILE A 72 5.480 0.043 -3.371 1.00 0.00 C ATOM 1105 CG1 ILE A 72 4.773 0.711 -2.190 1.00 0.00 C ATOM 1106 CG2 ILE A 72 6.981 -0.025 -3.128 1.00 0.00 C ATOM 1107 CD1 ILE A 72 5.066 0.053 -0.860 1.00 0.00 C ATOM 0 H ILE A 72 4.973 2.714 -3.830 1.00 0.00 H new ATOM 0 HA ILE A 72 5.811 0.410 -5.471 1.00 0.00 H new ATOM 0 HB ILE A 72 5.101 -0.974 -3.468 1.00 0.00 H new ATOM 0 HG12 ILE A 72 5.073 1.758 -2.142 1.00 0.00 H new ATOM 0 HG13 ILE A 72 3.697 0.695 -2.365 1.00 0.00 H new ATOM 0 HG21 ILE A 72 7.176 -0.568 -2.203 1.00 0.00 H new ATOM 0 HG22 ILE A 72 7.461 -0.541 -3.959 1.00 0.00 H new ATOM 0 HG23 ILE A 72 7.383 0.985 -3.047 1.00 0.00 H new ATOM 0 HD11 ILE A 72 4.532 0.579 -0.068 1.00 0.00 H new ATOM 0 HD12 ILE A 72 4.740 -0.987 -0.889 1.00 0.00 H new ATOM 0 HD13 ILE A 72 6.137 0.092 -0.663 1.00 0.00 H new ATOM 1119 N PHE A 73 3.362 -0.624 -5.394 1.00 0.00 N ATOM 1120 CA PHE A 73 1.991 -0.948 -5.769 1.00 0.00 C ATOM 1121 C PHE A 73 1.524 -2.223 -5.073 1.00 0.00 C ATOM 1122 O PHE A 73 1.004 -3.137 -5.713 1.00 0.00 O ATOM 1123 CB PHE A 73 1.879 -1.111 -7.286 1.00 0.00 C ATOM 1124 CG PHE A 73 2.291 0.113 -8.053 1.00 0.00 C ATOM 1125 CD1 PHE A 73 1.399 1.156 -8.249 1.00 0.00 C ATOM 1126 CD2 PHE A 73 3.569 0.222 -8.577 1.00 0.00 C ATOM 1127 CE1 PHE A 73 1.775 2.283 -8.954 1.00 0.00 C ATOM 1128 CE2 PHE A 73 3.950 1.347 -9.283 1.00 0.00 C ATOM 1129 CZ PHE A 73 3.052 2.380 -9.471 1.00 0.00 C ATOM 0 H PHE A 73 4.006 -1.414 -5.426 1.00 0.00 H new ATOM 0 HA PHE A 73 1.350 -0.126 -5.451 1.00 0.00 H new ATOM 0 HB2 PHE A 73 2.498 -1.952 -7.600 1.00 0.00 H new ATOM 0 HB3 PHE A 73 0.849 -1.360 -7.541 1.00 0.00 H new ATOM 0 HD1 PHE A 73 0.399 1.087 -7.846 1.00 0.00 H new ATOM 0 HD2 PHE A 73 4.276 -0.582 -8.432 1.00 0.00 H new ATOM 0 HE1 PHE A 73 1.070 3.088 -9.101 1.00 0.00 H new ATOM 0 HE2 PHE A 73 4.949 1.419 -9.687 1.00 0.00 H new ATOM 0 HZ PHE A 73 3.348 3.261 -10.021 1.00 0.00 H new ATOM 1139 N MET A 74 1.713 -2.276 -3.759 1.00 0.00 N ATOM 1140 CA MET A 74 1.311 -3.439 -2.976 1.00 0.00 C ATOM 1141 C MET A 74 -0.013 -4.003 -3.481 1.00 0.00 C ATOM 1142 O MET A 74 -0.140 -5.206 -3.707 1.00 0.00 O ATOM 1143 CB MET A 74 1.189 -3.066 -1.497 1.00 0.00 C ATOM 1144 CG MET A 74 2.530 -2.890 -0.802 1.00 0.00 C ATOM 1145 SD MET A 74 3.522 -4.395 -0.814 1.00 0.00 S ATOM 1146 CE MET A 74 5.127 -3.746 -0.356 1.00 0.00 C ATOM 0 H MET A 74 2.142 -1.528 -3.214 1.00 0.00 H new ATOM 0 HA MET A 74 2.078 -4.205 -3.089 1.00 0.00 H new ATOM 0 HB2 MET A 74 0.620 -2.141 -1.410 1.00 0.00 H new ATOM 0 HB3 MET A 74 0.620 -3.840 -0.981 1.00 0.00 H new ATOM 0 HG2 MET A 74 3.086 -2.090 -1.291 1.00 0.00 H new ATOM 0 HG3 MET A 74 2.362 -2.578 0.229 1.00 0.00 H new ATOM 0 HE1 MET A 74 5.701 -4.521 0.152 1.00 0.00 H new ATOM 0 HE2 MET A 74 5.660 -3.428 -1.252 1.00 0.00 H new ATOM 0 HE3 MET A 74 4.998 -2.894 0.311 1.00 0.00 H new ATOM 1156 N SER A 75 -0.997 -3.126 -3.655 1.00 0.00 N ATOM 1157 CA SER A 75 -2.313 -3.538 -4.129 1.00 0.00 C ATOM 1158 C SER A 75 -2.207 -4.254 -5.472 1.00 0.00 C ATOM 1159 O SER A 75 -1.674 -3.681 -6.421 1.00 0.00 O ATOM 1160 CB SER A 75 -3.235 -2.324 -4.257 1.00 0.00 C ATOM 1161 OG SER A 75 -3.754 -1.942 -2.995 1.00 0.00 O ATOM 0 H SER A 75 -0.908 -2.126 -3.475 1.00 0.00 H new ATOM 0 HA SER A 75 -2.734 -4.230 -3.400 1.00 0.00 H new ATOM 0 HB2 SER A 75 -2.685 -1.491 -4.695 1.00 0.00 H new ATOM 0 HB3 SER A 75 -4.056 -2.557 -4.936 1.00 0.00 H new ATOM 0 HG SER A 75 -4.339 -1.163 -3.104 1.00 0.00 H new TER 1167 SER A 75 HETATM 1168 ZN ZN A 201 1.294 7.391 8.076 1.00 0.00 ZN HETATM 1169 ZN ZN A 401 15.070 2.027 6.593 1.00 0.00 ZN