USER MOD reduce.3.24.130724 H: found=0, std=0, add=523, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 519 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 52 HIS HD1 : A 52 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD Set 1.1: A 5 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (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 9 ASN : amide:sc= -0.0337 X(o=-0.034,f=0) USER MOD Single : A 11 THR OG1 : rot 50:sc= 0.114 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ -115:sc= 0.189 (180deg=0) USER MOD Single : A 25 HIS : no HD1:sc= -1.36 K(o=-1.4,f=-3.1!) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 99:sc= 0.869 USER MOD Single : A 35 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0204) USER MOD Single : A 36 HIS : no HD1:sc= -0.0944 K(o=-0.094,f=-0.75) USER MOD Single : A 39 ASN : amide:sc= -0.237 K(o=-0.24,f=-4.3!) USER MOD Single : A 40 MET CE :methyl -171:sc= -0.0724 (180deg=-0.261) USER MOD Single : A 41 GLN : amide:sc= -1.89 K(o=-1.9,f=-3.6!) USER MOD Single : A 48 ASN : amide:sc= -0.0643 X(o=-0.064,f=-0.0031) USER MOD Single : A 51 TYR OH : rot 180:sc= -0.678 USER MOD Single : A 54 TYR OH : rot 144:sc= 0.778 USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0.27) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot -78:sc= 1.39 USER MOD Single : A 75 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.0207) USER MOD Single : A 76 THR OG1 : rot -53:sc= 0.867 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -43.158 19.629 8.931 1.00 0.00 N ATOM 2 CA GLY A 1 -42.163 18.701 9.433 1.00 0.00 C ATOM 3 C GLY A 1 -41.262 18.167 8.337 1.00 0.00 C ATOM 4 O GLY A 1 -41.726 17.495 7.416 1.00 0.00 O ATOM 0 H1 GLY A 1 -43.748 19.965 9.719 1.00 0.00 H new ATOM 0 H2 GLY A 1 -42.683 20.439 8.484 1.00 0.00 H new ATOM 0 H3 GLY A 1 -43.757 19.149 8.229 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -41.555 19.199 10.188 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -42.664 17.868 9.925 1.00 0.00 H new ATOM 8 N SER A 2 -39.971 18.468 8.434 1.00 0.00 N ATOM 9 CA SER A 2 -39.004 18.018 7.440 1.00 0.00 C ATOM 10 C SER A 2 -38.280 16.763 7.916 1.00 0.00 C ATOM 11 O SER A 2 -37.830 16.688 9.060 1.00 0.00 O ATOM 12 CB SER A 2 -37.991 19.126 7.146 1.00 0.00 C ATOM 13 OG SER A 2 -36.867 18.617 6.448 1.00 0.00 O ATOM 0 H SER A 2 -39.571 19.022 9.191 1.00 0.00 H new ATOM 0 HA SER A 2 -39.545 17.778 6.525 1.00 0.00 H new ATOM 0 HB2 SER A 2 -38.466 19.910 6.555 1.00 0.00 H new ATOM 0 HB3 SER A 2 -37.666 19.584 8.080 1.00 0.00 H new ATOM 0 HG SER A 2 -36.235 19.345 6.271 1.00 0.00 H new ATOM 19 N SER A 3 -38.170 15.779 7.030 1.00 0.00 N ATOM 20 CA SER A 3 -37.503 14.524 7.359 1.00 0.00 C ATOM 21 C SER A 3 -35.987 14.681 7.292 1.00 0.00 C ATOM 22 O SER A 3 -35.477 15.713 6.860 1.00 0.00 O ATOM 23 CB SER A 3 -37.956 13.416 6.406 1.00 0.00 C ATOM 24 OG SER A 3 -37.712 12.135 6.961 1.00 0.00 O ATOM 0 H SER A 3 -38.534 15.826 6.078 1.00 0.00 H new ATOM 0 HA SER A 3 -37.778 14.251 8.378 1.00 0.00 H new ATOM 0 HB2 SER A 3 -39.019 13.527 6.193 1.00 0.00 H new ATOM 0 HB3 SER A 3 -37.429 13.511 5.456 1.00 0.00 H new ATOM 0 HG SER A 3 -38.012 11.444 6.334 1.00 0.00 H new ATOM 30 N GLY A 4 -35.272 13.646 7.723 1.00 0.00 N ATOM 31 CA GLY A 4 -33.821 13.687 7.704 1.00 0.00 C ATOM 32 C GLY A 4 -33.227 13.827 9.091 1.00 0.00 C ATOM 33 O GLY A 4 -33.057 14.939 9.592 1.00 0.00 O ATOM 0 H GLY A 4 -35.671 12.780 8.085 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -33.441 12.777 7.240 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -33.492 14.522 7.085 1.00 0.00 H new ATOM 37 N SER A 5 -32.912 12.697 9.715 1.00 0.00 N ATOM 38 CA SER A 5 -32.339 12.698 11.056 1.00 0.00 C ATOM 39 C SER A 5 -30.904 12.181 11.033 1.00 0.00 C ATOM 40 O SER A 5 -30.453 11.610 10.040 1.00 0.00 O ATOM 41 CB SER A 5 -33.187 11.840 11.997 1.00 0.00 C ATOM 42 OG SER A 5 -33.209 10.487 11.573 1.00 0.00 O ATOM 0 H SER A 5 -33.044 11.769 9.314 1.00 0.00 H new ATOM 0 HA SER A 5 -32.332 13.725 11.421 1.00 0.00 H new ATOM 0 HB2 SER A 5 -32.787 11.901 13.009 1.00 0.00 H new ATOM 0 HB3 SER A 5 -34.204 12.230 12.032 1.00 0.00 H new ATOM 0 HG SER A 5 -33.756 9.959 12.192 1.00 0.00 H new ATOM 48 N SER A 6 -30.190 12.386 12.136 1.00 0.00 N ATOM 49 CA SER A 6 -28.804 11.945 12.243 1.00 0.00 C ATOM 50 C SER A 6 -27.930 12.647 11.208 1.00 0.00 C ATOM 51 O SER A 6 -28.420 13.418 10.385 1.00 0.00 O ATOM 52 CB SER A 6 -28.714 10.429 12.059 1.00 0.00 C ATOM 53 OG SER A 6 -29.806 9.774 12.681 1.00 0.00 O ATOM 0 H SER A 6 -30.549 12.855 12.968 1.00 0.00 H new ATOM 0 HA SER A 6 -28.441 12.206 13.237 1.00 0.00 H new ATOM 0 HB2 SER A 6 -28.699 10.189 10.996 1.00 0.00 H new ATOM 0 HB3 SER A 6 -27.778 10.063 12.481 1.00 0.00 H new ATOM 0 HG SER A 6 -29.726 8.806 12.548 1.00 0.00 H new ATOM 59 N GLY A 7 -26.629 12.373 11.258 1.00 0.00 N ATOM 60 CA GLY A 7 -25.706 12.985 10.321 1.00 0.00 C ATOM 61 C GLY A 7 -24.338 12.333 10.345 1.00 0.00 C ATOM 62 O GLY A 7 -23.553 12.555 11.268 1.00 0.00 O ATOM 0 H GLY A 7 -26.199 11.738 11.931 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -26.119 12.920 9.314 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -25.604 14.045 10.556 1.00 0.00 H new ATOM 66 N ARG A 8 -24.051 11.525 9.330 1.00 0.00 N ATOM 67 CA ARG A 8 -22.769 10.837 9.240 1.00 0.00 C ATOM 68 C ARG A 8 -22.021 11.243 7.974 1.00 0.00 C ATOM 69 O ARG A 8 -21.860 10.444 7.052 1.00 0.00 O ATOM 70 CB ARG A 8 -22.977 9.322 9.258 1.00 0.00 C ATOM 71 CG ARG A 8 -23.475 8.791 10.592 1.00 0.00 C ATOM 72 CD ARG A 8 -22.625 7.629 11.082 1.00 0.00 C ATOM 73 NE ARG A 8 -23.349 6.781 12.026 1.00 0.00 N ATOM 74 CZ ARG A 8 -24.339 5.968 11.675 1.00 0.00 C ATOM 75 NH1 ARG A 8 -24.721 5.893 10.407 1.00 0.00 N ATOM 76 NH2 ARG A 8 -24.949 5.228 12.592 1.00 0.00 N ATOM 0 H ARG A 8 -24.689 11.331 8.558 1.00 0.00 H new ATOM 0 HA ARG A 8 -22.170 11.125 10.103 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -23.691 9.053 8.480 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -22.036 8.832 9.010 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -23.460 9.591 11.332 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -24.511 8.468 10.492 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -22.304 7.030 10.230 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -21.724 8.015 11.559 1.00 0.00 H new ATOM 0 HE ARG A 8 -23.079 6.815 13.009 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -24.254 6.460 9.699 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -25.481 5.268 10.140 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -24.658 5.283 13.568 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -25.709 4.604 12.321 1.00 0.00 H new ATOM 90 N ASN A 9 -21.566 12.492 7.936 1.00 0.00 N ATOM 91 CA ASN A 9 -20.836 13.005 6.783 1.00 0.00 C ATOM 92 C ASN A 9 -19.476 13.556 7.201 1.00 0.00 C ATOM 93 O ASN A 9 -19.293 13.991 8.338 1.00 0.00 O ATOM 94 CB ASN A 9 -21.648 14.097 6.084 1.00 0.00 C ATOM 95 CG ASN A 9 -21.793 13.846 4.595 1.00 0.00 C ATOM 96 OD1 ASN A 9 -21.339 14.642 3.773 1.00 0.00 O ATOM 97 ND2 ASN A 9 -22.429 12.735 4.242 1.00 0.00 N ATOM 0 H ASN A 9 -21.690 13.167 8.691 1.00 0.00 H new ATOM 0 HA ASN A 9 -20.676 12.180 6.089 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -22.637 14.157 6.538 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -21.166 15.062 6.242 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -22.558 12.513 3.255 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -22.789 12.104 4.958 1.00 0.00 H new ATOM 104 N ASP A 10 -18.525 13.534 6.273 1.00 0.00 N ATOM 105 CA ASP A 10 -17.181 14.033 6.544 1.00 0.00 C ATOM 106 C ASP A 10 -16.577 13.335 7.758 1.00 0.00 C ATOM 107 O ASP A 10 -16.425 13.936 8.822 1.00 0.00 O ATOM 108 CB ASP A 10 -17.212 15.545 6.772 1.00 0.00 C ATOM 109 CG ASP A 10 -17.911 16.286 5.650 1.00 0.00 C ATOM 110 OD1 ASP A 10 -17.694 15.924 4.474 1.00 0.00 O ATOM 111 OD2 ASP A 10 -18.676 17.228 5.946 1.00 0.00 O ATOM 0 H ASP A 10 -18.660 13.176 5.327 1.00 0.00 H new ATOM 0 HA ASP A 10 -16.558 13.817 5.676 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -17.718 15.757 7.714 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -16.192 15.916 6.868 1.00 0.00 H new ATOM 116 N THR A 11 -16.234 12.061 7.593 1.00 0.00 N ATOM 117 CA THR A 11 -15.649 11.280 8.675 1.00 0.00 C ATOM 118 C THR A 11 -14.126 11.308 8.612 1.00 0.00 C ATOM 119 O THR A 11 -13.514 10.564 7.847 1.00 0.00 O ATOM 120 CB THR A 11 -16.126 9.816 8.633 1.00 0.00 C ATOM 121 OG1 THR A 11 -16.102 9.331 7.286 1.00 0.00 O ATOM 122 CG2 THR A 11 -17.533 9.689 9.198 1.00 0.00 C ATOM 0 H THR A 11 -16.352 11.548 6.719 1.00 0.00 H new ATOM 0 HA THR A 11 -15.980 11.736 9.608 1.00 0.00 H new ATOM 0 HB THR A 11 -15.450 9.219 9.245 1.00 0.00 H new ATOM 0 HG1 THR A 11 -15.232 9.530 6.882 1.00 0.00 H new ATOM 0 HG21 THR A 11 -17.848 8.646 9.158 1.00 0.00 H new ATOM 0 HG22 THR A 11 -17.542 10.031 10.233 1.00 0.00 H new ATOM 0 HG23 THR A 11 -18.218 10.298 8.609 1.00 0.00 H new ATOM 130 N GLU A 12 -13.521 12.172 9.422 1.00 0.00 N ATOM 131 CA GLU A 12 -12.068 12.296 9.457 1.00 0.00 C ATOM 132 C GLU A 12 -11.477 11.450 10.581 1.00 0.00 C ATOM 133 O GLU A 12 -12.198 10.749 11.291 1.00 0.00 O ATOM 134 CB GLU A 12 -11.664 13.760 9.639 1.00 0.00 C ATOM 135 CG GLU A 12 -10.555 14.206 8.700 1.00 0.00 C ATOM 136 CD GLU A 12 -10.606 15.692 8.403 1.00 0.00 C ATOM 137 OE1 GLU A 12 -11.719 16.215 8.186 1.00 0.00 O ATOM 138 OE2 GLU A 12 -9.533 16.331 8.386 1.00 0.00 O ATOM 0 H GLU A 12 -14.014 12.795 10.062 1.00 0.00 H new ATOM 0 HA GLU A 12 -11.674 11.933 8.507 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -12.538 14.392 9.481 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -11.341 13.914 10.669 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -9.589 13.960 9.142 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -10.629 13.650 7.766 1.00 0.00 H new ATOM 145 N CYS A 13 -10.159 11.520 10.735 1.00 0.00 N ATOM 146 CA CYS A 13 -9.469 10.761 11.771 1.00 0.00 C ATOM 147 C CYS A 13 -9.584 11.457 13.124 1.00 0.00 C ATOM 148 O CYS A 13 -9.260 12.637 13.256 1.00 0.00 O ATOM 149 CB CYS A 13 -7.995 10.579 11.402 1.00 0.00 C ATOM 150 SG CYS A 13 -7.140 9.292 12.367 1.00 0.00 S ATOM 0 H CYS A 13 -9.547 12.095 10.155 1.00 0.00 H new ATOM 0 HA CYS A 13 -9.942 9.782 11.845 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -7.925 10.331 10.343 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -7.477 11.528 11.542 1.00 0.00 H new ATOM 155 N ASP A 14 -10.048 10.718 14.125 1.00 0.00 N ATOM 156 CA ASP A 14 -10.205 11.263 15.469 1.00 0.00 C ATOM 157 C ASP A 14 -8.954 11.014 16.306 1.00 0.00 C ATOM 158 O ASP A 14 -8.665 11.757 17.244 1.00 0.00 O ATOM 159 CB ASP A 14 -11.424 10.643 16.154 1.00 0.00 C ATOM 160 CG ASP A 14 -12.080 11.593 17.137 1.00 0.00 C ATOM 161 OD1 ASP A 14 -12.145 12.804 16.840 1.00 0.00 O ATOM 162 OD2 ASP A 14 -12.531 11.124 18.203 1.00 0.00 O ATOM 0 H ASP A 14 -10.322 9.740 14.032 1.00 0.00 H new ATOM 0 HA ASP A 14 -10.354 12.339 15.383 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -12.151 10.348 15.398 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -11.121 9.736 16.677 1.00 0.00 H new ATOM 167 N LEU A 15 -8.218 9.964 15.961 1.00 0.00 N ATOM 168 CA LEU A 15 -6.998 9.616 16.681 1.00 0.00 C ATOM 169 C LEU A 15 -6.031 10.795 16.717 1.00 0.00 C ATOM 170 O LEU A 15 -5.492 11.139 17.770 1.00 0.00 O ATOM 171 CB LEU A 15 -6.323 8.408 16.028 1.00 0.00 C ATOM 172 CG LEU A 15 -6.980 7.052 16.285 1.00 0.00 C ATOM 173 CD1 LEU A 15 -8.183 6.860 15.375 1.00 0.00 C ATOM 174 CD2 LEU A 15 -5.975 5.926 16.088 1.00 0.00 C ATOM 0 H LEU A 15 -8.444 9.339 15.188 1.00 0.00 H new ATOM 0 HA LEU A 15 -7.271 9.362 17.705 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -6.289 8.574 14.951 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -5.291 8.361 16.376 1.00 0.00 H new ATOM 0 HG LEU A 15 -7.325 7.028 17.319 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -8.637 5.889 15.573 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -8.912 7.647 15.565 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -7.863 6.906 14.334 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -6.460 4.968 16.275 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -5.599 5.949 15.065 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -5.145 6.054 16.782 1.00 0.00 H new ATOM 186 N CYS A 16 -5.817 11.413 15.560 1.00 0.00 N ATOM 187 CA CYS A 16 -4.917 12.555 15.458 1.00 0.00 C ATOM 188 C CYS A 16 -5.696 13.839 15.185 1.00 0.00 C ATOM 189 O CYS A 16 -5.293 14.923 15.605 1.00 0.00 O ATOM 190 CB CYS A 16 -3.889 12.324 14.348 1.00 0.00 C ATOM 191 SG CYS A 16 -4.622 11.969 12.718 1.00 0.00 S ATOM 0 H CYS A 16 -6.255 11.142 14.680 1.00 0.00 H new ATOM 0 HA CYS A 16 -4.397 12.661 16.410 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -3.255 13.207 14.265 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -3.243 11.493 14.633 1.00 0.00 H new ATOM 196 N GLY A 17 -6.815 13.707 14.479 1.00 0.00 N ATOM 197 CA GLY A 17 -7.633 14.863 14.162 1.00 0.00 C ATOM 198 C GLY A 17 -7.623 15.192 12.683 1.00 0.00 C ATOM 199 O GLY A 17 -8.649 15.569 12.117 1.00 0.00 O ATOM 0 H GLY A 17 -7.169 12.820 14.121 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -8.658 14.678 14.483 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -7.273 15.724 14.725 1.00 0.00 H new ATOM 203 N GLY A 18 -6.460 15.052 12.054 1.00 0.00 N ATOM 204 CA GLY A 18 -6.343 15.343 10.637 1.00 0.00 C ATOM 205 C GLY A 18 -5.181 16.266 10.329 1.00 0.00 C ATOM 206 O GLY A 18 -5.345 17.273 9.639 1.00 0.00 O ATOM 0 H GLY A 18 -5.597 14.742 12.500 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -6.218 14.410 10.087 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -7.268 15.799 10.285 1.00 0.00 H new ATOM 210 N ASP A 19 -4.004 15.924 10.841 1.00 0.00 N ATOM 211 CA ASP A 19 -2.810 16.730 10.618 1.00 0.00 C ATOM 212 C ASP A 19 -1.552 15.871 10.698 1.00 0.00 C ATOM 213 O ASP A 19 -1.526 14.823 11.344 1.00 0.00 O ATOM 214 CB ASP A 19 -2.734 17.863 11.642 1.00 0.00 C ATOM 215 CG ASP A 19 -2.928 19.228 11.010 1.00 0.00 C ATOM 216 OD1 ASP A 19 -4.092 19.656 10.869 1.00 0.00 O ATOM 217 OD2 ASP A 19 -1.915 19.868 10.657 1.00 0.00 O ATOM 0 H ASP A 19 -3.851 15.094 11.413 1.00 0.00 H new ATOM 0 HA ASP A 19 -2.873 17.159 9.618 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -3.494 17.709 12.407 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -1.766 17.832 12.143 1.00 0.00 H new ATOM 222 N PRO A 20 -0.483 16.322 10.024 1.00 0.00 N ATOM 223 CA PRO A 20 0.798 15.609 10.003 1.00 0.00 C ATOM 224 C PRO A 20 1.508 15.652 11.352 1.00 0.00 C ATOM 225 O PRO A 20 1.963 14.626 11.856 1.00 0.00 O ATOM 226 CB PRO A 20 1.608 16.367 8.949 1.00 0.00 C ATOM 227 CG PRO A 20 1.021 17.736 8.932 1.00 0.00 C ATOM 228 CD PRO A 20 -0.442 17.563 9.232 1.00 0.00 C ATOM 0 HA PRO A 20 0.671 14.549 9.782 1.00 0.00 H new ATOM 0 HB2 PRO A 20 2.667 16.393 9.207 1.00 0.00 H new ATOM 0 HB3 PRO A 20 1.530 15.891 7.972 1.00 0.00 H new ATOM 0 HG2 PRO A 20 1.499 18.375 9.675 1.00 0.00 H new ATOM 0 HG3 PRO A 20 1.167 18.211 7.962 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -0.841 18.410 9.791 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -1.032 17.477 8.320 1.00 0.00 H new ATOM 236 N GLU A 21 1.597 16.845 11.931 1.00 0.00 N ATOM 237 CA GLU A 21 2.252 17.019 13.223 1.00 0.00 C ATOM 238 C GLU A 21 1.684 16.051 14.256 1.00 0.00 C ATOM 239 O GLU A 21 2.425 15.313 14.906 1.00 0.00 O ATOM 240 CB GLU A 21 2.087 18.459 13.713 1.00 0.00 C ATOM 241 CG GLU A 21 2.995 19.451 13.005 1.00 0.00 C ATOM 242 CD GLU A 21 2.224 20.449 12.162 1.00 0.00 C ATOM 243 OE1 GLU A 21 1.745 21.455 12.725 1.00 0.00 O ATOM 244 OE2 GLU A 21 2.100 20.223 10.940 1.00 0.00 O ATOM 0 H GLU A 21 1.225 17.704 11.527 1.00 0.00 H new ATOM 0 HA GLU A 21 3.313 16.805 13.095 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.050 18.765 13.573 1.00 0.00 H new ATOM 0 HB3 GLU A 21 2.289 18.495 14.784 1.00 0.00 H new ATOM 0 HG2 GLU A 21 3.588 19.988 13.746 1.00 0.00 H new ATOM 0 HG3 GLU A 21 3.695 18.908 12.369 1.00 0.00 H new ATOM 251 N LYS A 22 0.363 16.058 14.402 1.00 0.00 N ATOM 252 CA LYS A 22 -0.307 15.181 15.355 1.00 0.00 C ATOM 253 C LYS A 22 0.017 13.718 15.069 1.00 0.00 C ATOM 254 O LYS A 22 -0.575 13.102 14.183 1.00 0.00 O ATOM 255 CB LYS A 22 -1.821 15.399 15.302 1.00 0.00 C ATOM 256 CG LYS A 22 -2.231 16.856 15.430 1.00 0.00 C ATOM 257 CD LYS A 22 -3.240 17.055 16.548 1.00 0.00 C ATOM 258 CE LYS A 22 -3.028 18.382 17.260 1.00 0.00 C ATOM 259 NZ LYS A 22 -3.594 18.369 18.638 1.00 0.00 N ATOM 0 H LYS A 22 -0.265 16.662 13.872 1.00 0.00 H new ATOM 0 HA LYS A 22 0.055 15.426 16.353 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -2.204 15.004 14.361 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -2.290 14.827 16.102 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -1.349 17.468 15.621 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -2.658 17.199 14.488 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -4.250 17.017 16.139 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -3.156 16.238 17.265 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -1.962 18.602 17.308 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -3.493 19.182 16.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -3.429 19.291 19.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -4.616 18.184 18.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -3.132 17.623 19.196 1.00 0.00 H new ATOM 273 N LYS A 23 0.961 13.167 15.825 1.00 0.00 N ATOM 274 CA LYS A 23 1.363 11.776 15.655 1.00 0.00 C ATOM 275 C LYS A 23 0.156 10.847 15.740 1.00 0.00 C ATOM 276 O LYS A 23 -0.691 10.992 16.623 1.00 0.00 O ATOM 277 CB LYS A 23 2.394 11.388 16.717 1.00 0.00 C ATOM 278 CG LYS A 23 3.535 10.544 16.177 1.00 0.00 C ATOM 279 CD LYS A 23 4.866 10.949 16.789 1.00 0.00 C ATOM 280 CE LYS A 23 5.568 9.762 17.430 1.00 0.00 C ATOM 281 NZ LYS A 23 6.611 9.185 16.537 1.00 0.00 N ATOM 0 H LYS A 23 1.462 13.663 16.562 1.00 0.00 H new ATOM 0 HA LYS A 23 1.811 11.672 14.667 1.00 0.00 H new ATOM 0 HB2 LYS A 23 2.803 12.295 17.163 1.00 0.00 H new ATOM 0 HB3 LYS A 23 1.893 10.839 17.514 1.00 0.00 H new ATOM 0 HG2 LYS A 23 3.342 9.492 16.387 1.00 0.00 H new ATOM 0 HG3 LYS A 23 3.585 10.649 15.093 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.506 11.379 16.019 1.00 0.00 H new ATOM 0 HD3 LYS A 23 4.703 11.724 17.538 1.00 0.00 H new ATOM 0 HE2 LYS A 23 6.026 10.075 18.368 1.00 0.00 H new ATOM 0 HE3 LYS A 23 4.834 8.994 17.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 6.339 8.219 16.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 6.701 9.773 15.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 7.522 9.160 17.038 1.00 0.00 H new ATOM 295 N CYS A 24 0.084 9.892 14.820 1.00 0.00 N ATOM 296 CA CYS A 24 -1.019 8.938 14.791 1.00 0.00 C ATOM 297 C CYS A 24 -0.499 7.511 14.643 1.00 0.00 C ATOM 298 O CYS A 24 0.572 7.283 14.079 1.00 0.00 O ATOM 299 CB CYS A 24 -1.974 9.266 13.642 1.00 0.00 C ATOM 300 SG CYS A 24 -3.667 8.638 13.881 1.00 0.00 S ATOM 0 H CYS A 24 0.777 9.757 14.084 1.00 0.00 H new ATOM 0 HA CYS A 24 -1.558 9.014 15.735 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -2.014 10.348 13.514 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -1.571 8.851 12.719 1.00 0.00 H new ATOM 305 N HIS A 25 -1.265 6.552 15.155 1.00 0.00 N ATOM 306 CA HIS A 25 -0.883 5.147 15.079 1.00 0.00 C ATOM 307 C HIS A 25 -1.514 4.477 13.862 1.00 0.00 C ATOM 308 O HIS A 25 -0.973 3.512 13.323 1.00 0.00 O ATOM 309 CB HIS A 25 -1.303 4.413 16.353 1.00 0.00 C ATOM 310 CG HIS A 25 -0.157 4.081 17.258 1.00 0.00 C ATOM 311 ND1 HIS A 25 1.015 3.509 16.810 1.00 0.00 N ATOM 312 CD2 HIS A 25 -0.007 4.244 18.594 1.00 0.00 C ATOM 313 CE1 HIS A 25 1.835 3.334 17.830 1.00 0.00 C ATOM 314 NE2 HIS A 25 1.239 3.772 18.924 1.00 0.00 N ATOM 0 H HIS A 25 -2.153 6.723 15.627 1.00 0.00 H new ATOM 0 HA HIS A 25 0.201 5.096 14.979 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -2.019 5.028 16.898 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -1.818 3.492 16.079 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -0.733 4.667 19.273 1.00 0.00 H new ATOM 0 HE1 HIS A 25 2.825 2.905 17.778 1.00 0.00 H new ATOM 0 HE2 HIS A 25 1.640 3.761 19.862 1.00 0.00 H new ATOM 322 N SER A 26 -2.660 4.996 13.434 1.00 0.00 N ATOM 323 CA SER A 26 -3.366 4.445 12.283 1.00 0.00 C ATOM 324 C SER A 26 -2.830 5.037 10.983 1.00 0.00 C ATOM 325 O SER A 26 -2.383 4.311 10.095 1.00 0.00 O ATOM 326 CB SER A 26 -4.867 4.719 12.400 1.00 0.00 C ATOM 327 OG SER A 26 -5.562 4.248 11.258 1.00 0.00 O ATOM 0 H SER A 26 -3.120 5.797 13.867 1.00 0.00 H new ATOM 0 HA SER A 26 -3.200 3.368 12.267 1.00 0.00 H new ATOM 0 HB2 SER A 26 -5.260 4.235 13.294 1.00 0.00 H new ATOM 0 HB3 SER A 26 -5.036 5.789 12.517 1.00 0.00 H new ATOM 0 HG SER A 26 -6.519 4.434 11.358 1.00 0.00 H new ATOM 333 N CYS A 27 -2.879 6.361 10.878 1.00 0.00 N ATOM 334 CA CYS A 27 -2.399 7.052 9.688 1.00 0.00 C ATOM 335 C CYS A 27 -0.954 6.669 9.381 1.00 0.00 C ATOM 336 O CYS A 27 -0.517 6.723 8.232 1.00 0.00 O ATOM 337 CB CYS A 27 -2.508 8.567 9.874 1.00 0.00 C ATOM 338 SG CYS A 27 -4.208 9.162 10.145 1.00 0.00 S ATOM 0 H CYS A 27 -3.247 6.977 11.603 1.00 0.00 H new ATOM 0 HA CYS A 27 -3.023 6.750 8.847 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -1.891 8.864 10.722 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -2.098 9.061 8.993 1.00 0.00 H new ATOM 343 N SER A 28 -0.217 6.282 10.418 1.00 0.00 N ATOM 344 CA SER A 28 1.179 5.893 10.261 1.00 0.00 C ATOM 345 C SER A 28 1.424 4.503 10.840 1.00 0.00 C ATOM 346 O SER A 28 0.484 3.788 11.187 1.00 0.00 O ATOM 347 CB SER A 28 2.094 6.911 10.944 1.00 0.00 C ATOM 348 OG SER A 28 2.363 6.537 12.284 1.00 0.00 O ATOM 0 H SER A 28 -0.564 6.230 11.376 1.00 0.00 H new ATOM 0 HA SER A 28 1.406 5.869 9.195 1.00 0.00 H new ATOM 0 HB2 SER A 28 3.030 6.992 10.391 1.00 0.00 H new ATOM 0 HB3 SER A 28 1.626 7.895 10.925 1.00 0.00 H new ATOM 0 HG SER A 28 3.239 6.100 12.332 1.00 0.00 H new ATOM 354 N CYS A 29 2.695 4.126 10.940 1.00 0.00 N ATOM 355 CA CYS A 29 3.066 2.822 11.475 1.00 0.00 C ATOM 356 C CYS A 29 2.432 2.596 12.845 1.00 0.00 C ATOM 357 O CYS A 29 2.573 3.419 13.749 1.00 0.00 O ATOM 358 CB CYS A 29 4.588 2.706 11.580 1.00 0.00 C ATOM 359 SG CYS A 29 5.185 1.010 11.878 1.00 0.00 S ATOM 0 H CYS A 29 3.485 4.706 10.657 1.00 0.00 H new ATOM 0 HA CYS A 29 2.696 2.057 10.792 1.00 0.00 H new ATOM 0 HB2 CYS A 29 5.035 3.081 10.659 1.00 0.00 H new ATOM 0 HB3 CYS A 29 4.936 3.350 12.388 1.00 0.00 H new ATOM 364 N ARG A 30 1.734 1.475 12.989 1.00 0.00 N ATOM 365 CA ARG A 30 1.078 1.140 14.248 1.00 0.00 C ATOM 366 C ARG A 30 1.974 0.257 15.111 1.00 0.00 C ATOM 367 O ARG A 30 1.766 0.135 16.318 1.00 0.00 O ATOM 368 CB ARG A 30 -0.251 0.430 13.981 1.00 0.00 C ATOM 369 CG ARG A 30 -1.325 0.741 15.011 1.00 0.00 C ATOM 370 CD ARG A 30 -2.599 1.245 14.353 1.00 0.00 C ATOM 371 NE ARG A 30 -3.795 0.676 14.967 1.00 0.00 N ATOM 372 CZ ARG A 30 -4.167 -0.591 14.818 1.00 0.00 C ATOM 373 NH1 ARG A 30 -3.439 -1.415 14.078 1.00 0.00 N ATOM 374 NH2 ARG A 30 -5.269 -1.034 15.409 1.00 0.00 N ATOM 0 H ARG A 30 1.608 0.783 12.250 1.00 0.00 H new ATOM 0 HA ARG A 30 0.886 2.068 14.787 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -0.613 0.715 12.993 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -0.080 -0.646 13.960 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -1.544 -0.155 15.592 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -0.954 1.491 15.710 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -2.638 2.332 14.424 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -2.582 0.995 13.292 1.00 0.00 H new ATOM 0 HE ARG A 30 -4.377 1.285 15.542 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -2.592 -1.077 13.622 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -3.726 -2.387 13.965 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -5.832 -0.402 15.978 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -5.554 -2.007 15.294 1.00 0.00 H new ATOM 388 N VAL A 31 2.972 -0.356 14.483 1.00 0.00 N ATOM 389 CA VAL A 31 3.901 -1.228 15.193 1.00 0.00 C ATOM 390 C VAL A 31 4.830 -0.422 16.095 1.00 0.00 C ATOM 391 O VAL A 31 4.684 -0.427 17.318 1.00 0.00 O ATOM 392 CB VAL A 31 4.750 -2.060 14.214 1.00 0.00 C ATOM 393 CG1 VAL A 31 5.747 -2.923 14.971 1.00 0.00 C ATOM 394 CG2 VAL A 31 3.856 -2.916 13.329 1.00 0.00 C ATOM 0 H VAL A 31 3.158 -0.265 13.484 1.00 0.00 H new ATOM 0 HA VAL A 31 3.299 -1.901 15.803 1.00 0.00 H new ATOM 0 HB VAL A 31 5.309 -1.377 13.575 1.00 0.00 H new ATOM 0 HG11 VAL A 31 6.338 -3.503 14.262 1.00 0.00 H new ATOM 0 HG12 VAL A 31 6.408 -2.285 15.558 1.00 0.00 H new ATOM 0 HG13 VAL A 31 5.211 -3.600 15.636 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.472 -3.497 12.643 1.00 0.00 H new ATOM 0 HG22 VAL A 31 3.268 -3.592 13.951 1.00 0.00 H new ATOM 0 HG23 VAL A 31 3.186 -2.273 12.758 1.00 0.00 H new ATOM 404 N CYS A 32 5.785 0.270 15.484 1.00 0.00 N ATOM 405 CA CYS A 32 6.739 1.082 16.230 1.00 0.00 C ATOM 406 C CYS A 32 6.119 2.416 16.634 1.00 0.00 C ATOM 407 O CYS A 32 6.531 3.033 17.615 1.00 0.00 O ATOM 408 CB CYS A 32 7.998 1.324 15.396 1.00 0.00 C ATOM 409 SG CYS A 32 7.758 2.477 14.005 1.00 0.00 S ATOM 0 H CYS A 32 5.919 0.285 14.473 1.00 0.00 H new ATOM 0 HA CYS A 32 7.010 0.538 17.135 1.00 0.00 H new ATOM 0 HB2 CYS A 32 8.782 1.713 16.046 1.00 0.00 H new ATOM 0 HB3 CYS A 32 8.352 0.370 15.006 1.00 0.00 H new ATOM 414 N GLY A 33 5.124 2.856 15.869 1.00 0.00 N ATOM 415 CA GLY A 33 4.462 4.114 16.162 1.00 0.00 C ATOM 416 C GLY A 33 5.199 5.305 15.583 1.00 0.00 C ATOM 417 O GLY A 33 5.266 6.365 16.204 1.00 0.00 O ATOM 0 H GLY A 33 4.765 2.363 15.051 1.00 0.00 H new ATOM 0 HA2 GLY A 33 3.448 4.089 15.763 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.377 4.233 17.242 1.00 0.00 H new ATOM 421 N GLY A 34 5.755 5.131 14.388 1.00 0.00 N ATOM 422 CA GLY A 34 6.485 6.208 13.745 1.00 0.00 C ATOM 423 C GLY A 34 5.711 6.830 12.599 1.00 0.00 C ATOM 424 O GLY A 34 4.914 6.160 11.942 1.00 0.00 O ATOM 0 H GLY A 34 5.713 4.263 13.854 1.00 0.00 H new ATOM 0 HA2 GLY A 34 6.717 6.977 14.482 1.00 0.00 H new ATOM 0 HA3 GLY A 34 7.436 5.827 13.373 1.00 0.00 H new ATOM 428 N LYS A 35 5.945 8.115 12.358 1.00 0.00 N ATOM 429 CA LYS A 35 5.264 8.829 11.284 1.00 0.00 C ATOM 430 C LYS A 35 6.267 9.378 10.274 1.00 0.00 C ATOM 431 O LYS A 35 6.080 10.464 9.726 1.00 0.00 O ATOM 432 CB LYS A 35 4.423 9.972 11.856 1.00 0.00 C ATOM 433 CG LYS A 35 3.304 10.425 10.934 1.00 0.00 C ATOM 434 CD LYS A 35 2.639 11.692 11.445 1.00 0.00 C ATOM 435 CE LYS A 35 1.160 11.726 11.092 1.00 0.00 C ATOM 436 NZ LYS A 35 0.941 11.729 9.619 1.00 0.00 N ATOM 0 H LYS A 35 6.602 8.684 12.892 1.00 0.00 H new ATOM 0 HA LYS A 35 4.608 8.124 10.772 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.993 9.655 12.806 1.00 0.00 H new ATOM 0 HB3 LYS A 35 5.074 10.820 12.067 1.00 0.00 H new ATOM 0 HG2 LYS A 35 3.703 10.600 9.935 1.00 0.00 H new ATOM 0 HG3 LYS A 35 2.561 9.633 10.846 1.00 0.00 H new ATOM 0 HD2 LYS A 35 2.758 11.756 12.527 1.00 0.00 H new ATOM 0 HD3 LYS A 35 3.136 12.563 11.018 1.00 0.00 H new ATOM 0 HE2 LYS A 35 0.662 10.862 11.531 1.00 0.00 H new ATOM 0 HE3 LYS A 35 0.703 12.614 11.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -0.076 11.821 9.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 1.451 12.529 9.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 1.294 10.839 9.214 1.00 0.00 H new ATOM 450 N HIS A 36 7.332 8.619 10.032 1.00 0.00 N ATOM 451 CA HIS A 36 8.363 9.029 9.086 1.00 0.00 C ATOM 452 C HIS A 36 8.451 8.050 7.920 1.00 0.00 C ATOM 453 O HIS A 36 7.893 6.954 7.974 1.00 0.00 O ATOM 454 CB HIS A 36 9.718 9.128 9.788 1.00 0.00 C ATOM 455 CG HIS A 36 10.035 7.944 10.648 1.00 0.00 C ATOM 456 ND1 HIS A 36 9.516 7.773 11.914 1.00 0.00 N ATOM 457 CD2 HIS A 36 10.822 6.867 10.417 1.00 0.00 C ATOM 458 CE1 HIS A 36 9.971 6.643 12.425 1.00 0.00 C ATOM 459 NE2 HIS A 36 10.766 6.074 11.536 1.00 0.00 N ATOM 0 H HIS A 36 7.503 7.718 10.478 1.00 0.00 H new ATOM 0 HA HIS A 36 8.093 10.009 8.694 1.00 0.00 H new ATOM 0 HB2 HIS A 36 10.500 9.241 9.037 1.00 0.00 H new ATOM 0 HB3 HIS A 36 9.735 10.028 10.403 1.00 0.00 H new ATOM 0 HD2 HIS A 36 11.389 6.669 9.519 1.00 0.00 H new ATOM 0 HE1 HIS A 36 9.734 6.251 13.403 1.00 0.00 H new ATOM 0 HE2 HIS A 36 11.258 5.189 11.661 1.00 0.00 H new ATOM 467 N GLU A 37 9.155 8.453 6.866 1.00 0.00 N ATOM 468 CA GLU A 37 9.314 7.610 5.687 1.00 0.00 C ATOM 469 C GLU A 37 7.957 7.231 5.102 1.00 0.00 C ATOM 470 O GLU A 37 7.546 6.071 5.122 1.00 0.00 O ATOM 471 CB GLU A 37 10.101 6.346 6.039 1.00 0.00 C ATOM 472 CG GLU A 37 11.574 6.601 6.310 1.00 0.00 C ATOM 473 CD GLU A 37 12.414 5.343 6.202 1.00 0.00 C ATOM 474 OE1 GLU A 37 12.518 4.793 5.086 1.00 0.00 O ATOM 475 OE2 GLU A 37 12.967 4.910 7.235 1.00 0.00 O ATOM 0 H GLU A 37 9.624 9.357 6.805 1.00 0.00 H new ATOM 0 HA GLU A 37 9.867 8.177 4.938 1.00 0.00 H new ATOM 0 HB2 GLU A 37 9.653 5.883 6.918 1.00 0.00 H new ATOM 0 HB3 GLU A 37 10.009 5.632 5.221 1.00 0.00 H new ATOM 0 HG2 GLU A 37 11.946 7.343 5.604 1.00 0.00 H new ATOM 0 HG3 GLU A 37 11.688 7.025 7.308 1.00 0.00 H new ATOM 482 N PRO A 38 7.243 8.234 4.568 1.00 0.00 N ATOM 483 CA PRO A 38 5.921 8.031 3.967 1.00 0.00 C ATOM 484 C PRO A 38 5.993 7.254 2.657 1.00 0.00 C ATOM 485 O PRO A 38 5.001 6.681 2.210 1.00 0.00 O ATOM 486 CB PRO A 38 5.424 9.457 3.716 1.00 0.00 C ATOM 487 CG PRO A 38 6.663 10.274 3.591 1.00 0.00 C ATOM 488 CD PRO A 38 7.671 9.641 4.510 1.00 0.00 C ATOM 0 HA PRO A 38 5.266 7.443 4.610 1.00 0.00 H new ATOM 0 HB2 PRO A 38 4.821 9.512 2.810 1.00 0.00 H new ATOM 0 HB3 PRO A 38 4.799 9.809 4.537 1.00 0.00 H new ATOM 0 HG2 PRO A 38 7.023 10.281 2.562 1.00 0.00 H new ATOM 0 HG3 PRO A 38 6.477 11.311 3.871 1.00 0.00 H new ATOM 0 HD2 PRO A 38 8.685 9.737 4.122 1.00 0.00 H new ATOM 0 HD3 PRO A 38 7.662 10.105 5.496 1.00 0.00 H new ATOM 496 N ASN A 39 7.174 7.239 2.047 1.00 0.00 N ATOM 497 CA ASN A 39 7.375 6.531 0.788 1.00 0.00 C ATOM 498 C ASN A 39 7.501 5.029 1.022 1.00 0.00 C ATOM 499 O ASN A 39 7.113 4.224 0.176 1.00 0.00 O ATOM 500 CB ASN A 39 8.625 7.055 0.078 1.00 0.00 C ATOM 501 CG ASN A 39 9.903 6.655 0.788 1.00 0.00 C ATOM 502 OD1 ASN A 39 9.980 6.686 2.016 1.00 0.00 O ATOM 503 ND2 ASN A 39 10.915 6.275 0.016 1.00 0.00 N ATOM 0 H ASN A 39 8.006 7.709 2.404 1.00 0.00 H new ATOM 0 HA ASN A 39 6.505 6.710 0.157 1.00 0.00 H new ATOM 0 HB2 ASN A 39 8.646 6.675 -0.943 1.00 0.00 H new ATOM 0 HB3 ASN A 39 8.574 8.142 0.013 1.00 0.00 H new ATOM 0 HD21 ASN A 39 11.800 5.994 0.437 1.00 0.00 H new ATOM 0 HD22 ASN A 39 10.807 6.265 -0.998 1.00 0.00 H new ATOM 510 N MET A 40 8.046 4.659 2.176 1.00 0.00 N ATOM 511 CA MET A 40 8.222 3.254 2.523 1.00 0.00 C ATOM 512 C MET A 40 7.067 2.758 3.388 1.00 0.00 C ATOM 513 O MET A 40 7.222 1.816 4.163 1.00 0.00 O ATOM 514 CB MET A 40 9.548 3.049 3.256 1.00 0.00 C ATOM 515 CG MET A 40 10.767 3.395 2.416 1.00 0.00 C ATOM 516 SD MET A 40 11.741 1.943 1.975 1.00 0.00 S ATOM 517 CE MET A 40 12.760 1.762 3.437 1.00 0.00 C ATOM 0 H MET A 40 8.373 5.313 2.887 1.00 0.00 H new ATOM 0 HA MET A 40 8.234 2.677 1.598 1.00 0.00 H new ATOM 0 HB2 MET A 40 9.553 3.661 4.158 1.00 0.00 H new ATOM 0 HB3 MET A 40 9.620 2.009 3.575 1.00 0.00 H new ATOM 0 HG2 MET A 40 10.445 3.902 1.506 1.00 0.00 H new ATOM 0 HG3 MET A 40 11.395 4.096 2.966 1.00 0.00 H new ATOM 0 HE1 MET A 40 13.526 1.008 3.256 1.00 0.00 H new ATOM 0 HE2 MET A 40 13.237 2.715 3.669 1.00 0.00 H new ATOM 0 HE3 MET A 40 12.139 1.453 4.278 1.00 0.00 H new ATOM 527 N GLN A 41 5.912 3.400 3.249 1.00 0.00 N ATOM 528 CA GLN A 41 4.732 3.025 4.019 1.00 0.00 C ATOM 529 C GLN A 41 3.743 2.248 3.156 1.00 0.00 C ATOM 530 O GLN A 41 3.367 2.693 2.071 1.00 0.00 O ATOM 531 CB GLN A 41 4.056 4.269 4.596 1.00 0.00 C ATOM 532 CG GLN A 41 4.538 4.632 5.992 1.00 0.00 C ATOM 533 CD GLN A 41 3.622 5.619 6.688 1.00 0.00 C ATOM 534 OE1 GLN A 41 3.288 5.453 7.861 1.00 0.00 O ATOM 535 NE2 GLN A 41 3.211 6.655 5.966 1.00 0.00 N ATOM 0 H GLN A 41 5.768 4.182 2.610 1.00 0.00 H new ATOM 0 HA GLN A 41 5.054 2.383 4.839 1.00 0.00 H new ATOM 0 HB2 GLN A 41 4.235 5.112 3.928 1.00 0.00 H new ATOM 0 HB3 GLN A 41 2.978 4.107 4.623 1.00 0.00 H new ATOM 0 HG2 GLN A 41 4.613 3.726 6.593 1.00 0.00 H new ATOM 0 HG3 GLN A 41 5.540 5.056 5.927 1.00 0.00 H new ATOM 0 HE21 GLN A 41 3.513 6.753 4.997 1.00 0.00 H new ATOM 0 HE22 GLN A 41 2.593 7.353 6.381 1.00 0.00 H new ATOM 544 N LEU A 42 3.326 1.085 3.644 1.00 0.00 N ATOM 545 CA LEU A 42 2.379 0.246 2.917 1.00 0.00 C ATOM 546 C LEU A 42 0.965 0.424 3.460 1.00 0.00 C ATOM 547 O LEU A 42 0.719 0.243 4.653 1.00 0.00 O ATOM 548 CB LEU A 42 2.793 -1.224 3.013 1.00 0.00 C ATOM 549 CG LEU A 42 4.295 -1.503 2.953 1.00 0.00 C ATOM 550 CD1 LEU A 42 4.569 -2.990 3.121 1.00 0.00 C ATOM 551 CD2 LEU A 42 4.880 -0.997 1.642 1.00 0.00 C ATOM 0 H LEU A 42 3.628 0.701 4.539 1.00 0.00 H new ATOM 0 HA LEU A 42 2.388 0.553 1.871 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.405 -1.630 3.947 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.309 -1.771 2.203 1.00 0.00 H new ATOM 0 HG LEU A 42 4.777 -0.970 3.773 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.643 -3.169 3.076 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.186 -3.324 4.085 1.00 0.00 H new ATOM 0 HD13 LEU A 42 4.075 -3.544 2.323 1.00 0.00 H new ATOM 0 HD21 LEU A 42 5.950 -1.204 1.617 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.393 -1.502 0.808 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.717 0.078 1.561 1.00 0.00 H new ATOM 563 N LEU A 43 0.038 0.778 2.576 1.00 0.00 N ATOM 564 CA LEU A 43 -1.353 0.978 2.965 1.00 0.00 C ATOM 565 C LEU A 43 -2.171 -0.289 2.737 1.00 0.00 C ATOM 566 O LEU A 43 -1.994 -0.982 1.734 1.00 0.00 O ATOM 567 CB LEU A 43 -1.961 2.140 2.177 1.00 0.00 C ATOM 568 CG LEU A 43 -2.515 3.298 3.009 1.00 0.00 C ATOM 569 CD1 LEU A 43 -3.759 2.864 3.767 1.00 0.00 C ATOM 570 CD2 LEU A 43 -1.456 3.817 3.970 1.00 0.00 C ATOM 0 H LEU A 43 0.225 0.932 1.585 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.376 1.216 4.028 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.200 2.534 1.504 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.765 1.749 1.554 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.792 4.107 2.333 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -4.139 3.701 4.353 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -4.522 2.541 3.059 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -3.509 2.038 4.433 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.867 4.641 4.554 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.149 3.015 4.641 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.593 4.168 3.405 1.00 0.00 H new ATOM 582 N CYS A 44 -3.067 -0.586 3.672 1.00 0.00 N ATOM 583 CA CYS A 44 -3.914 -1.768 3.573 1.00 0.00 C ATOM 584 C CYS A 44 -5.120 -1.500 2.677 1.00 0.00 C ATOM 585 O CYS A 44 -5.649 -0.389 2.647 1.00 0.00 O ATOM 586 CB CYS A 44 -4.383 -2.203 4.962 1.00 0.00 C ATOM 587 SG CYS A 44 -5.389 -3.722 4.966 1.00 0.00 S ATOM 0 H CYS A 44 -3.225 -0.023 4.508 1.00 0.00 H new ATOM 0 HA CYS A 44 -3.325 -2.570 3.128 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -3.510 -2.356 5.597 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -4.963 -1.395 5.407 1.00 0.00 H new ATOM 592 N ASP A 45 -5.549 -2.525 1.950 1.00 0.00 N ATOM 593 CA ASP A 45 -6.693 -2.402 1.054 1.00 0.00 C ATOM 594 C ASP A 45 -7.972 -2.878 1.737 1.00 0.00 C ATOM 595 O ASP A 45 -8.865 -3.425 1.091 1.00 0.00 O ATOM 596 CB ASP A 45 -6.455 -3.203 -0.226 1.00 0.00 C ATOM 597 CG ASP A 45 -6.752 -2.399 -1.477 1.00 0.00 C ATOM 598 OD1 ASP A 45 -6.413 -1.197 -1.504 1.00 0.00 O ATOM 599 OD2 ASP A 45 -7.323 -2.972 -2.428 1.00 0.00 O ATOM 0 H ASP A 45 -5.122 -3.451 1.963 1.00 0.00 H new ATOM 0 HA ASP A 45 -6.810 -1.349 0.797 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -5.419 -3.541 -0.252 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -7.081 -4.095 -0.214 1.00 0.00 H new ATOM 604 N GLU A 46 -8.051 -2.668 3.047 1.00 0.00 N ATOM 605 CA GLU A 46 -9.219 -3.078 3.817 1.00 0.00 C ATOM 606 C GLU A 46 -9.496 -2.095 4.951 1.00 0.00 C ATOM 607 O GLU A 46 -10.556 -1.471 5.002 1.00 0.00 O ATOM 608 CB GLU A 46 -9.015 -4.484 4.385 1.00 0.00 C ATOM 609 CG GLU A 46 -10.282 -5.100 4.956 1.00 0.00 C ATOM 610 CD GLU A 46 -11.386 -5.224 3.924 1.00 0.00 C ATOM 611 OE1 GLU A 46 -11.087 -5.619 2.778 1.00 0.00 O ATOM 612 OE2 GLU A 46 -12.551 -4.927 4.264 1.00 0.00 O ATOM 0 H GLU A 46 -7.320 -2.216 3.597 1.00 0.00 H new ATOM 0 HA GLU A 46 -10.079 -3.085 3.148 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -8.629 -5.132 3.598 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -8.256 -4.444 5.167 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -10.053 -6.087 5.358 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -10.635 -4.491 5.788 1.00 0.00 H new ATOM 619 N CYS A 47 -8.536 -1.964 5.860 1.00 0.00 N ATOM 620 CA CYS A 47 -8.674 -1.059 6.995 1.00 0.00 C ATOM 621 C CYS A 47 -7.995 0.277 6.710 1.00 0.00 C ATOM 622 O CYS A 47 -8.214 1.260 7.418 1.00 0.00 O ATOM 623 CB CYS A 47 -8.076 -1.690 8.253 1.00 0.00 C ATOM 624 SG CYS A 47 -6.301 -2.080 8.119 1.00 0.00 S ATOM 0 H CYS A 47 -7.653 -2.474 5.833 1.00 0.00 H new ATOM 0 HA CYS A 47 -9.737 -0.879 7.158 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -8.225 -1.011 9.093 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -8.622 -2.605 8.482 1.00 0.00 H new ATOM 629 N ASN A 48 -7.169 0.306 5.669 1.00 0.00 N ATOM 630 CA ASN A 48 -6.457 1.521 5.291 1.00 0.00 C ATOM 631 C ASN A 48 -5.493 1.952 6.392 1.00 0.00 C ATOM 632 O ASN A 48 -5.663 3.006 7.004 1.00 0.00 O ATOM 633 CB ASN A 48 -7.449 2.648 4.997 1.00 0.00 C ATOM 634 CG ASN A 48 -8.568 2.206 4.073 1.00 0.00 C ATOM 635 OD1 ASN A 48 -8.381 2.100 2.861 1.00 0.00 O ATOM 636 ND2 ASN A 48 -9.739 1.947 4.643 1.00 0.00 N ATOM 0 H ASN A 48 -6.976 -0.498 5.072 1.00 0.00 H new ATOM 0 HA ASN A 48 -5.881 1.309 4.390 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -7.875 3.007 5.934 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -6.919 3.487 4.546 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -10.529 1.647 4.072 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -9.849 2.048 5.652 1.00 0.00 H new ATOM 643 N VAL A 49 -4.479 1.128 6.639 1.00 0.00 N ATOM 644 CA VAL A 49 -3.486 1.424 7.665 1.00 0.00 C ATOM 645 C VAL A 49 -2.081 1.467 7.074 1.00 0.00 C ATOM 646 O VAL A 49 -1.731 0.654 6.219 1.00 0.00 O ATOM 647 CB VAL A 49 -3.522 0.382 8.798 1.00 0.00 C ATOM 648 CG1 VAL A 49 -3.089 -0.982 8.284 1.00 0.00 C ATOM 649 CG2 VAL A 49 -2.644 0.827 9.958 1.00 0.00 C ATOM 0 H VAL A 49 -4.324 0.251 6.143 1.00 0.00 H new ATOM 0 HA VAL A 49 -3.736 2.403 8.074 1.00 0.00 H new ATOM 0 HB VAL A 49 -4.547 0.298 9.159 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -3.121 -1.705 9.099 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -3.762 -1.302 7.489 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -2.073 -0.918 7.895 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -2.681 0.079 10.750 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -1.616 0.940 9.614 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -3.005 1.781 10.343 1.00 0.00 H new ATOM 659 N ALA A 50 -1.280 2.421 7.536 1.00 0.00 N ATOM 660 CA ALA A 50 0.089 2.569 7.055 1.00 0.00 C ATOM 661 C ALA A 50 1.064 1.780 7.922 1.00 0.00 C ATOM 662 O ALA A 50 1.115 1.963 9.139 1.00 0.00 O ATOM 663 CB ALA A 50 0.480 4.039 7.020 1.00 0.00 C ATOM 0 H ALA A 50 -1.555 3.103 8.243 1.00 0.00 H new ATOM 0 HA ALA A 50 0.138 2.168 6.043 1.00 0.00 H new ATOM 0 HB1 ALA A 50 1.504 4.135 6.659 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -0.192 4.578 6.352 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.408 4.459 8.023 1.00 0.00 H new ATOM 669 N TYR A 51 1.835 0.903 7.290 1.00 0.00 N ATOM 670 CA TYR A 51 2.807 0.084 8.005 1.00 0.00 C ATOM 671 C TYR A 51 4.163 0.113 7.306 1.00 0.00 C ATOM 672 O TYR A 51 4.245 0.024 6.081 1.00 0.00 O ATOM 673 CB TYR A 51 2.307 -1.357 8.114 1.00 0.00 C ATOM 674 CG TYR A 51 1.436 -1.606 9.325 1.00 0.00 C ATOM 675 CD1 TYR A 51 1.957 -1.520 10.610 1.00 0.00 C ATOM 676 CD2 TYR A 51 0.091 -1.926 9.183 1.00 0.00 C ATOM 677 CE1 TYR A 51 1.165 -1.748 11.718 1.00 0.00 C ATOM 678 CE2 TYR A 51 -0.709 -2.154 10.286 1.00 0.00 C ATOM 679 CZ TYR A 51 -0.167 -2.064 11.551 1.00 0.00 C ATOM 680 OH TYR A 51 -0.960 -2.290 12.653 1.00 0.00 O ATOM 0 H TYR A 51 1.806 0.741 6.283 1.00 0.00 H new ATOM 0 HA TYR A 51 2.927 0.497 9.007 1.00 0.00 H new ATOM 0 HB2 TYR A 51 1.744 -1.606 7.215 1.00 0.00 H new ATOM 0 HB3 TYR A 51 3.165 -2.029 8.150 1.00 0.00 H new ATOM 0 HD1 TYR A 51 2.999 -1.271 10.745 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -0.336 -1.998 8.194 1.00 0.00 H new ATOM 0 HE1 TYR A 51 1.586 -1.679 12.710 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -1.753 -2.401 10.158 1.00 0.00 H new ATOM 0 HH TYR A 51 -1.872 -2.500 12.362 1.00 0.00 H new ATOM 690 N HIS A 52 5.225 0.238 8.096 1.00 0.00 N ATOM 691 CA HIS A 52 6.579 0.278 7.554 1.00 0.00 C ATOM 692 C HIS A 52 6.975 -1.080 6.983 1.00 0.00 C ATOM 693 O HIS A 52 6.364 -2.101 7.301 1.00 0.00 O ATOM 694 CB HIS A 52 7.572 0.697 8.639 1.00 0.00 C ATOM 695 CG HIS A 52 7.380 2.104 9.114 1.00 0.00 C ATOM 696 ND1 HIS A 52 7.893 2.573 10.306 1.00 0.00 N ATOM 697 CD2 HIS A 52 6.729 3.149 8.551 1.00 0.00 C ATOM 698 CE1 HIS A 52 7.563 3.843 10.456 1.00 0.00 C ATOM 699 NE2 HIS A 52 6.857 4.217 9.404 1.00 0.00 N ATOM 0 H HIS A 52 5.174 0.313 9.112 1.00 0.00 H new ATOM 0 HA HIS A 52 6.601 1.012 6.748 1.00 0.00 H new ATOM 0 HB2 HIS A 52 7.478 0.020 9.488 1.00 0.00 H new ATOM 0 HB3 HIS A 52 8.586 0.587 8.254 1.00 0.00 H new ATOM 0 HD2 HIS A 52 6.206 3.143 7.606 1.00 0.00 H new ATOM 0 HE1 HIS A 52 7.826 4.469 11.296 1.00 0.00 H new ATOM 0 HE2 HIS A 52 6.470 5.148 9.250 1.00 0.00 H new ATOM 707 N ILE A 53 8.001 -1.085 6.138 1.00 0.00 N ATOM 708 CA ILE A 53 8.478 -2.317 5.523 1.00 0.00 C ATOM 709 C ILE A 53 9.396 -3.084 6.469 1.00 0.00 C ATOM 710 O ILE A 53 9.689 -4.259 6.249 1.00 0.00 O ATOM 711 CB ILE A 53 9.232 -2.036 4.210 1.00 0.00 C ATOM 712 CG1 ILE A 53 10.443 -1.138 4.474 1.00 0.00 C ATOM 713 CG2 ILE A 53 8.302 -1.394 3.192 1.00 0.00 C ATOM 714 CD1 ILE A 53 11.715 -1.631 3.820 1.00 0.00 C ATOM 0 H ILE A 53 8.518 -0.249 5.864 1.00 0.00 H new ATOM 0 HA ILE A 53 7.598 -2.922 5.305 1.00 0.00 H new ATOM 0 HB ILE A 53 9.587 -2.983 3.802 1.00 0.00 H new ATOM 0 HG12 ILE A 53 10.225 -0.133 4.114 1.00 0.00 H new ATOM 0 HG13 ILE A 53 10.602 -1.064 5.550 1.00 0.00 H new ATOM 0 HG21 ILE A 53 8.850 -1.202 2.269 1.00 0.00 H new ATOM 0 HG22 ILE A 53 7.469 -2.066 2.986 1.00 0.00 H new ATOM 0 HG23 ILE A 53 7.920 -0.454 3.590 1.00 0.00 H new ATOM 0 HD11 ILE A 53 12.531 -0.946 4.050 1.00 0.00 H new ATOM 0 HD12 ILE A 53 11.957 -2.624 4.198 1.00 0.00 H new ATOM 0 HD13 ILE A 53 11.574 -1.679 2.740 1.00 0.00 H new ATOM 726 N TYR A 54 9.844 -2.412 7.523 1.00 0.00 N ATOM 727 CA TYR A 54 10.729 -3.029 8.504 1.00 0.00 C ATOM 728 C TYR A 54 10.053 -3.118 9.869 1.00 0.00 C ATOM 729 O TYR A 54 10.719 -3.137 10.904 1.00 0.00 O ATOM 730 CB TYR A 54 12.032 -2.236 8.618 1.00 0.00 C ATOM 731 CG TYR A 54 11.824 -0.741 8.712 1.00 0.00 C ATOM 732 CD1 TYR A 54 11.533 -0.136 9.929 1.00 0.00 C ATOM 733 CD2 TYR A 54 11.916 0.066 7.585 1.00 0.00 C ATOM 734 CE1 TYR A 54 11.342 1.229 10.020 1.00 0.00 C ATOM 735 CE2 TYR A 54 11.728 1.432 7.667 1.00 0.00 C ATOM 736 CZ TYR A 54 11.441 2.009 8.887 1.00 0.00 C ATOM 737 OH TYR A 54 11.251 3.369 8.972 1.00 0.00 O ATOM 0 H TYR A 54 9.609 -1.439 7.720 1.00 0.00 H new ATOM 0 HA TYR A 54 10.956 -4.040 8.165 1.00 0.00 H new ATOM 0 HB2 TYR A 54 12.578 -2.575 9.499 1.00 0.00 H new ATOM 0 HB3 TYR A 54 12.657 -2.454 7.752 1.00 0.00 H new ATOM 0 HD1 TYR A 54 11.455 -0.743 10.819 1.00 0.00 H new ATOM 0 HD2 TYR A 54 12.138 -0.382 6.628 1.00 0.00 H new ATOM 0 HE1 TYR A 54 11.116 1.683 10.974 1.00 0.00 H new ATOM 0 HE2 TYR A 54 11.805 2.045 6.781 1.00 0.00 H new ATOM 0 HH TYR A 54 11.854 3.823 8.347 1.00 0.00 H new ATOM 747 N CYS A 55 8.726 -3.171 9.862 1.00 0.00 N ATOM 748 CA CYS A 55 7.957 -3.257 11.097 1.00 0.00 C ATOM 749 C CYS A 55 6.833 -4.281 10.968 1.00 0.00 C ATOM 750 O CYS A 55 5.861 -4.252 11.725 1.00 0.00 O ATOM 751 CB CYS A 55 7.376 -1.889 11.458 1.00 0.00 C ATOM 752 SG CYS A 55 8.625 -0.655 11.945 1.00 0.00 S ATOM 0 H CYS A 55 8.160 -3.156 9.014 1.00 0.00 H new ATOM 0 HA CYS A 55 8.630 -3.580 11.892 1.00 0.00 H new ATOM 0 HB2 CYS A 55 6.817 -1.507 10.604 1.00 0.00 H new ATOM 0 HB3 CYS A 55 6.665 -2.012 12.275 1.00 0.00 H new ATOM 757 N LEU A 56 6.972 -5.186 10.005 1.00 0.00 N ATOM 758 CA LEU A 56 5.969 -6.220 9.776 1.00 0.00 C ATOM 759 C LEU A 56 6.294 -7.480 10.572 1.00 0.00 C ATOM 760 O LEU A 56 7.272 -7.519 11.318 1.00 0.00 O ATOM 761 CB LEU A 56 5.882 -6.553 8.286 1.00 0.00 C ATOM 762 CG LEU A 56 5.084 -5.573 7.424 1.00 0.00 C ATOM 763 CD1 LEU A 56 5.175 -5.957 5.956 1.00 0.00 C ATOM 764 CD2 LEU A 56 3.632 -5.526 7.877 1.00 0.00 C ATOM 0 H LEU A 56 7.770 -5.224 9.370 1.00 0.00 H new ATOM 0 HA LEU A 56 5.006 -5.838 10.113 1.00 0.00 H new ATOM 0 HB2 LEU A 56 6.895 -6.614 7.888 1.00 0.00 H new ATOM 0 HB3 LEU A 56 5.438 -7.543 8.181 1.00 0.00 H new ATOM 0 HG LEU A 56 5.514 -4.579 7.545 1.00 0.00 H new ATOM 0 HD11 LEU A 56 4.601 -5.249 5.358 1.00 0.00 H new ATOM 0 HD12 LEU A 56 6.218 -5.938 5.639 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.771 -6.960 5.817 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.079 -4.824 7.253 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.190 -6.518 7.786 1.00 0.00 H new ATOM 0 HD23 LEU A 56 3.586 -5.202 8.917 1.00 0.00 H new ATOM 776 N ASN A 57 5.469 -8.508 10.406 1.00 0.00 N ATOM 777 CA ASN A 57 5.670 -9.771 11.108 1.00 0.00 C ATOM 778 C ASN A 57 5.182 -10.945 10.265 1.00 0.00 C ATOM 779 O ASN A 57 3.999 -11.289 10.260 1.00 0.00 O ATOM 780 CB ASN A 57 4.938 -9.753 12.451 1.00 0.00 C ATOM 781 CG ASN A 57 5.877 -9.963 13.624 1.00 0.00 C ATOM 782 OD1 ASN A 57 6.806 -9.184 13.836 1.00 0.00 O ATOM 783 ND2 ASN A 57 5.637 -11.020 14.392 1.00 0.00 N ATOM 0 H ASN A 57 4.655 -8.492 9.792 1.00 0.00 H new ATOM 0 HA ASN A 57 6.738 -9.894 11.286 1.00 0.00 H new ATOM 0 HB2 ASN A 57 4.422 -8.800 12.568 1.00 0.00 H new ATOM 0 HB3 ASN A 57 4.175 -10.531 12.456 1.00 0.00 H new ATOM 0 HD21 ASN A 57 6.235 -11.213 15.196 1.00 0.00 H new ATOM 0 HD22 ASN A 57 4.855 -11.639 14.178 1.00 0.00 H new ATOM 790 N PRO A 58 6.113 -11.577 9.536 1.00 0.00 N ATOM 791 CA PRO A 58 7.523 -11.177 9.533 1.00 0.00 C ATOM 792 C PRO A 58 7.745 -9.839 8.837 1.00 0.00 C ATOM 793 O PRO A 58 6.857 -9.302 8.174 1.00 0.00 O ATOM 794 CB PRO A 58 8.210 -12.304 8.758 1.00 0.00 C ATOM 795 CG PRO A 58 7.144 -12.868 7.885 1.00 0.00 C ATOM 796 CD PRO A 58 5.861 -12.731 8.656 1.00 0.00 C ATOM 0 HA PRO A 58 7.909 -11.039 10.543 1.00 0.00 H new ATOM 0 HB2 PRO A 58 9.046 -11.927 8.169 1.00 0.00 H new ATOM 0 HB3 PRO A 58 8.611 -13.061 9.432 1.00 0.00 H new ATOM 0 HG2 PRO A 58 7.090 -12.330 6.939 1.00 0.00 H new ATOM 0 HG3 PRO A 58 7.347 -13.912 7.647 1.00 0.00 H new ATOM 0 HD2 PRO A 58 5.012 -12.555 7.995 1.00 0.00 H new ATOM 0 HD3 PRO A 58 5.638 -13.632 9.228 1.00 0.00 H new ATOM 804 N PRO A 59 8.957 -9.286 8.987 1.00 0.00 N ATOM 805 CA PRO A 59 9.324 -8.004 8.379 1.00 0.00 C ATOM 806 C PRO A 59 9.447 -8.097 6.862 1.00 0.00 C ATOM 807 O PRO A 59 9.182 -9.144 6.270 1.00 0.00 O ATOM 808 CB PRO A 59 10.684 -7.689 9.007 1.00 0.00 C ATOM 809 CG PRO A 59 11.243 -9.017 9.386 1.00 0.00 C ATOM 810 CD PRO A 59 10.064 -9.870 9.764 1.00 0.00 C ATOM 0 HA PRO A 59 8.570 -7.238 8.557 1.00 0.00 H new ATOM 0 HB2 PRO A 59 11.335 -7.172 8.302 1.00 0.00 H new ATOM 0 HB3 PRO A 59 10.578 -7.041 9.877 1.00 0.00 H new ATOM 0 HG2 PRO A 59 11.795 -9.459 8.556 1.00 0.00 H new ATOM 0 HG3 PRO A 59 11.940 -8.924 10.219 1.00 0.00 H new ATOM 0 HD2 PRO A 59 10.227 -10.917 9.507 1.00 0.00 H new ATOM 0 HD3 PRO A 59 9.867 -9.831 10.835 1.00 0.00 H new ATOM 818 N LEU A 60 9.851 -6.996 6.237 1.00 0.00 N ATOM 819 CA LEU A 60 10.010 -6.953 4.788 1.00 0.00 C ATOM 820 C LEU A 60 11.340 -6.313 4.405 1.00 0.00 C ATOM 821 O LEU A 60 11.603 -5.157 4.737 1.00 0.00 O ATOM 822 CB LEU A 60 8.855 -6.177 4.151 1.00 0.00 C ATOM 823 CG LEU A 60 7.780 -7.019 3.462 1.00 0.00 C ATOM 824 CD1 LEU A 60 6.671 -6.130 2.922 1.00 0.00 C ATOM 825 CD2 LEU A 60 8.390 -7.853 2.345 1.00 0.00 C ATOM 0 H LEU A 60 10.074 -6.121 6.712 1.00 0.00 H new ATOM 0 HA LEU A 60 10.000 -7.977 4.416 1.00 0.00 H new ATOM 0 HB2 LEU A 60 8.377 -5.576 4.925 1.00 0.00 H new ATOM 0 HB3 LEU A 60 9.269 -5.484 3.419 1.00 0.00 H new ATOM 0 HG LEU A 60 7.348 -7.696 4.199 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.915 -6.746 2.435 1.00 0.00 H new ATOM 0 HD12 LEU A 60 6.215 -5.578 3.744 1.00 0.00 H new ATOM 0 HD13 LEU A 60 7.087 -5.428 2.200 1.00 0.00 H new ATOM 0 HD21 LEU A 60 7.610 -8.446 1.866 1.00 0.00 H new ATOM 0 HD22 LEU A 60 8.849 -7.194 1.608 1.00 0.00 H new ATOM 0 HD23 LEU A 60 9.148 -8.518 2.760 1.00 0.00 H new ATOM 837 N ASP A 61 12.175 -7.071 3.702 1.00 0.00 N ATOM 838 CA ASP A 61 13.477 -6.577 3.271 1.00 0.00 C ATOM 839 C ASP A 61 13.334 -5.267 2.503 1.00 0.00 C ATOM 840 O ASP A 61 14.244 -4.437 2.494 1.00 0.00 O ATOM 841 CB ASP A 61 14.178 -7.620 2.398 1.00 0.00 C ATOM 842 CG ASP A 61 14.952 -8.634 3.217 1.00 0.00 C ATOM 843 OD1 ASP A 61 14.822 -8.618 4.460 1.00 0.00 O ATOM 844 OD2 ASP A 61 15.687 -9.445 2.616 1.00 0.00 O ATOM 0 H ASP A 61 11.973 -8.030 3.419 1.00 0.00 H new ATOM 0 HA ASP A 61 14.081 -6.392 4.160 1.00 0.00 H new ATOM 0 HB2 ASP A 61 13.437 -8.138 1.790 1.00 0.00 H new ATOM 0 HB3 ASP A 61 14.858 -7.117 1.711 1.00 0.00 H new ATOM 849 N LYS A 62 12.186 -5.087 1.858 1.00 0.00 N ATOM 850 CA LYS A 62 11.922 -3.878 1.087 1.00 0.00 C ATOM 851 C LYS A 62 10.437 -3.755 0.760 1.00 0.00 C ATOM 852 O LYS A 62 9.613 -4.512 1.272 1.00 0.00 O ATOM 853 CB LYS A 62 12.741 -3.884 -0.205 1.00 0.00 C ATOM 854 CG LYS A 62 12.336 -4.978 -1.177 1.00 0.00 C ATOM 855 CD LYS A 62 13.118 -4.886 -2.477 1.00 0.00 C ATOM 856 CE LYS A 62 12.221 -4.487 -3.639 1.00 0.00 C ATOM 857 NZ LYS A 62 13.010 -4.026 -4.816 1.00 0.00 N ATOM 0 H LYS A 62 11.423 -5.764 1.854 1.00 0.00 H new ATOM 0 HA LYS A 62 12.215 -3.020 1.692 1.00 0.00 H new ATOM 0 HB2 LYS A 62 12.636 -2.916 -0.696 1.00 0.00 H new ATOM 0 HB3 LYS A 62 13.796 -4.003 0.044 1.00 0.00 H new ATOM 0 HG2 LYS A 62 12.503 -5.953 -0.719 1.00 0.00 H new ATOM 0 HG3 LYS A 62 11.269 -4.903 -1.387 1.00 0.00 H new ATOM 0 HD2 LYS A 62 13.921 -4.157 -2.369 1.00 0.00 H new ATOM 0 HD3 LYS A 62 13.586 -5.847 -2.690 1.00 0.00 H new ATOM 0 HE2 LYS A 62 11.601 -5.336 -3.927 1.00 0.00 H new ATOM 0 HE3 LYS A 62 11.546 -3.693 -3.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 12.363 -3.763 -5.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 13.583 -3.200 -4.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 13.636 -4.792 -5.136 1.00 0.00 H new ATOM 871 N VAL A 63 10.103 -2.796 -0.098 1.00 0.00 N ATOM 872 CA VAL A 63 8.717 -2.575 -0.496 1.00 0.00 C ATOM 873 C VAL A 63 8.293 -3.561 -1.578 1.00 0.00 C ATOM 874 O VAL A 63 9.009 -3.799 -2.551 1.00 0.00 O ATOM 875 CB VAL A 63 8.503 -1.140 -1.011 1.00 0.00 C ATOM 876 CG1 VAL A 63 7.050 -0.925 -1.405 1.00 0.00 C ATOM 877 CG2 VAL A 63 8.936 -0.127 0.038 1.00 0.00 C ATOM 0 H VAL A 63 10.773 -2.160 -0.531 1.00 0.00 H new ATOM 0 HA VAL A 63 8.104 -2.729 0.392 1.00 0.00 H new ATOM 0 HB VAL A 63 9.120 -0.995 -1.898 1.00 0.00 H new ATOM 0 HG11 VAL A 63 6.918 0.095 -1.766 1.00 0.00 H new ATOM 0 HG12 VAL A 63 6.779 -1.627 -2.193 1.00 0.00 H new ATOM 0 HG13 VAL A 63 6.410 -1.088 -0.538 1.00 0.00 H new ATOM 0 HG21 VAL A 63 8.778 0.882 -0.343 1.00 0.00 H new ATOM 0 HG22 VAL A 63 8.348 -0.269 0.945 1.00 0.00 H new ATOM 0 HG23 VAL A 63 9.993 -0.267 0.265 1.00 0.00 H new ATOM 887 N PRO A 64 7.100 -4.150 -1.407 1.00 0.00 N ATOM 888 CA PRO A 64 6.552 -5.119 -2.361 1.00 0.00 C ATOM 889 C PRO A 64 6.153 -4.471 -3.682 1.00 0.00 C ATOM 890 O PRO A 64 6.392 -3.284 -3.898 1.00 0.00 O ATOM 891 CB PRO A 64 5.318 -5.667 -1.639 1.00 0.00 C ATOM 892 CG PRO A 64 4.917 -4.584 -0.698 1.00 0.00 C ATOM 893 CD PRO A 64 6.193 -3.913 -0.271 1.00 0.00 C ATOM 0 HA PRO A 64 7.281 -5.884 -2.630 1.00 0.00 H new ATOM 0 HB2 PRO A 64 4.518 -5.897 -2.342 1.00 0.00 H new ATOM 0 HB3 PRO A 64 5.548 -6.589 -1.106 1.00 0.00 H new ATOM 0 HG2 PRO A 64 4.246 -3.875 -1.183 1.00 0.00 H new ATOM 0 HG3 PRO A 64 4.384 -4.991 0.161 1.00 0.00 H new ATOM 0 HD2 PRO A 64 6.046 -2.848 -0.090 1.00 0.00 H new ATOM 0 HD3 PRO A 64 6.584 -4.343 0.652 1.00 0.00 H new ATOM 901 N GLU A 65 5.543 -5.259 -4.562 1.00 0.00 N ATOM 902 CA GLU A 65 5.112 -4.761 -5.863 1.00 0.00 C ATOM 903 C GLU A 65 4.101 -5.709 -6.501 1.00 0.00 C ATOM 904 O GLU A 65 3.979 -5.770 -7.724 1.00 0.00 O ATOM 905 CB GLU A 65 6.316 -4.581 -6.790 1.00 0.00 C ATOM 906 CG GLU A 65 6.349 -3.234 -7.492 1.00 0.00 C ATOM 907 CD GLU A 65 7.498 -3.115 -8.473 1.00 0.00 C ATOM 908 OE1 GLU A 65 8.380 -4.000 -8.465 1.00 0.00 O ATOM 909 OE2 GLU A 65 7.516 -2.137 -9.250 1.00 0.00 O ATOM 0 H GLU A 65 5.336 -6.244 -4.398 1.00 0.00 H new ATOM 0 HA GLU A 65 4.632 -3.794 -5.712 1.00 0.00 H new ATOM 0 HB2 GLU A 65 7.231 -4.701 -6.210 1.00 0.00 H new ATOM 0 HB3 GLU A 65 6.308 -5.372 -7.540 1.00 0.00 H new ATOM 0 HG2 GLU A 65 5.408 -3.081 -8.020 1.00 0.00 H new ATOM 0 HG3 GLU A 65 6.429 -2.442 -6.747 1.00 0.00 H new ATOM 916 N GLU A 66 3.380 -6.447 -5.663 1.00 0.00 N ATOM 917 CA GLU A 66 2.381 -7.393 -6.146 1.00 0.00 C ATOM 918 C GLU A 66 1.069 -6.683 -6.468 1.00 0.00 C ATOM 919 O GLU A 66 0.996 -5.455 -6.448 1.00 0.00 O ATOM 920 CB GLU A 66 2.139 -8.489 -5.106 1.00 0.00 C ATOM 921 CG GLU A 66 2.426 -9.890 -5.618 1.00 0.00 C ATOM 922 CD GLU A 66 1.576 -10.945 -4.939 1.00 0.00 C ATOM 923 OE1 GLU A 66 0.342 -10.761 -4.874 1.00 0.00 O ATOM 924 OE2 GLU A 66 2.143 -11.955 -4.472 1.00 0.00 O ATOM 0 H GLU A 66 3.469 -6.408 -4.648 1.00 0.00 H new ATOM 0 HA GLU A 66 2.761 -7.848 -7.061 1.00 0.00 H new ATOM 0 HB2 GLU A 66 2.764 -8.295 -4.234 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.103 -8.439 -4.772 1.00 0.00 H new ATOM 0 HG2 GLU A 66 2.249 -9.923 -6.693 1.00 0.00 H new ATOM 0 HG3 GLU A 66 3.480 -10.121 -5.461 1.00 0.00 H new ATOM 931 N GLU A 67 0.036 -7.466 -6.764 1.00 0.00 N ATOM 932 CA GLU A 67 -1.272 -6.911 -7.091 1.00 0.00 C ATOM 933 C GLU A 67 -1.730 -5.927 -6.018 1.00 0.00 C ATOM 934 O GLU A 67 -2.231 -4.845 -6.326 1.00 0.00 O ATOM 935 CB GLU A 67 -2.302 -8.033 -7.242 1.00 0.00 C ATOM 936 CG GLU A 67 -2.346 -8.984 -6.058 1.00 0.00 C ATOM 937 CD GLU A 67 -3.179 -10.220 -6.333 1.00 0.00 C ATOM 938 OE1 GLU A 67 -3.795 -10.292 -7.416 1.00 0.00 O ATOM 939 OE2 GLU A 67 -3.213 -11.117 -5.463 1.00 0.00 O ATOM 0 H GLU A 67 0.080 -8.485 -6.784 1.00 0.00 H new ATOM 0 HA GLU A 67 -1.185 -6.376 -8.037 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -3.289 -7.592 -7.380 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -2.078 -8.601 -8.145 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -1.330 -9.285 -5.801 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -2.753 -8.462 -5.192 1.00 0.00 H new ATOM 946 N TYR A 68 -1.554 -6.310 -4.759 1.00 0.00 N ATOM 947 CA TYR A 68 -1.952 -5.464 -3.640 1.00 0.00 C ATOM 948 C TYR A 68 -1.226 -5.874 -2.362 1.00 0.00 C ATOM 949 O TYR A 68 -0.561 -6.909 -2.318 1.00 0.00 O ATOM 950 CB TYR A 68 -3.465 -5.539 -3.428 1.00 0.00 C ATOM 951 CG TYR A 68 -4.221 -4.385 -4.044 1.00 0.00 C ATOM 952 CD1 TYR A 68 -4.252 -3.140 -3.427 1.00 0.00 C ATOM 953 CD2 TYR A 68 -4.904 -4.538 -5.245 1.00 0.00 C ATOM 954 CE1 TYR A 68 -4.943 -2.083 -3.987 1.00 0.00 C ATOM 955 CE2 TYR A 68 -5.596 -3.486 -5.813 1.00 0.00 C ATOM 956 CZ TYR A 68 -5.613 -2.260 -5.180 1.00 0.00 C ATOM 957 OH TYR A 68 -6.301 -1.209 -5.741 1.00 0.00 O ATOM 0 H TYR A 68 -1.138 -7.201 -4.487 1.00 0.00 H new ATOM 0 HA TYR A 68 -1.677 -4.437 -3.879 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -3.837 -6.473 -3.851 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -3.672 -5.568 -2.358 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -3.727 -2.997 -2.494 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -4.893 -5.496 -5.743 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -4.959 -1.123 -3.493 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -6.121 -3.622 -6.747 1.00 0.00 H new ATOM 0 HH TYR A 68 -6.716 -1.500 -6.580 1.00 0.00 H new ATOM 967 N TRP A 69 -1.361 -5.056 -1.325 1.00 0.00 N ATOM 968 CA TRP A 69 -0.719 -5.333 -0.044 1.00 0.00 C ATOM 969 C TRP A 69 -1.718 -5.217 1.101 1.00 0.00 C ATOM 970 O TRP A 69 -2.350 -4.175 1.284 1.00 0.00 O ATOM 971 CB TRP A 69 0.449 -4.372 0.182 1.00 0.00 C ATOM 972 CG TRP A 69 1.176 -4.614 1.470 1.00 0.00 C ATOM 973 CD1 TRP A 69 2.287 -5.386 1.652 1.00 0.00 C ATOM 974 CD2 TRP A 69 0.840 -4.082 2.757 1.00 0.00 C ATOM 975 NE1 TRP A 69 2.663 -5.366 2.974 1.00 0.00 N ATOM 976 CE2 TRP A 69 1.792 -4.573 3.672 1.00 0.00 C ATOM 977 CE3 TRP A 69 -0.170 -3.238 3.224 1.00 0.00 C ATOM 978 CZ2 TRP A 69 1.760 -4.247 5.025 1.00 0.00 C ATOM 979 CZ3 TRP A 69 -0.201 -2.915 4.567 1.00 0.00 C ATOM 980 CH2 TRP A 69 0.759 -3.418 5.455 1.00 0.00 C ATOM 0 H TRP A 69 -1.909 -4.196 -1.345 1.00 0.00 H new ATOM 0 HA TRP A 69 -0.340 -6.355 -0.068 1.00 0.00 H new ATOM 0 HB2 TRP A 69 1.151 -4.464 -0.646 1.00 0.00 H new ATOM 0 HB3 TRP A 69 0.075 -3.348 0.171 1.00 0.00 H new ATOM 0 HD1 TRP A 69 2.796 -5.932 0.872 1.00 0.00 H new ATOM 0 HE1 TRP A 69 3.461 -5.862 3.371 1.00 0.00 H new ATOM 0 HE3 TRP A 69 -0.914 -2.845 2.547 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 2.499 -4.634 5.711 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 -0.978 -2.264 4.939 1.00 0.00 H new ATOM 0 HH2 TRP A 69 0.708 -3.146 6.499 1.00 0.00 H new ATOM 991 N TYR A 70 -1.857 -6.291 1.870 1.00 0.00 N ATOM 992 CA TYR A 70 -2.782 -6.309 2.998 1.00 0.00 C ATOM 993 C TYR A 70 -2.033 -6.495 4.314 1.00 0.00 C ATOM 994 O TYR A 70 -1.264 -7.444 4.476 1.00 0.00 O ATOM 995 CB TYR A 70 -3.811 -7.427 2.822 1.00 0.00 C ATOM 996 CG TYR A 70 -4.824 -7.152 1.733 1.00 0.00 C ATOM 997 CD1 TYR A 70 -4.527 -7.405 0.400 1.00 0.00 C ATOM 998 CD2 TYR A 70 -6.078 -6.637 2.038 1.00 0.00 C ATOM 999 CE1 TYR A 70 -5.448 -7.155 -0.598 1.00 0.00 C ATOM 1000 CE2 TYR A 70 -7.007 -6.384 1.047 1.00 0.00 C ATOM 1001 CZ TYR A 70 -6.687 -6.645 -0.269 1.00 0.00 C ATOM 1002 OH TYR A 70 -7.609 -6.393 -1.260 1.00 0.00 O ATOM 0 H TYR A 70 -1.341 -7.160 1.733 1.00 0.00 H new ATOM 0 HA TYR A 70 -3.298 -5.349 3.027 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -3.290 -8.357 2.595 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -4.336 -7.578 3.765 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -3.558 -7.805 0.139 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -6.331 -6.431 3.068 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -5.200 -7.357 -1.629 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -7.978 -5.984 1.301 1.00 0.00 H new ATOM 0 HH TYR A 70 -8.430 -6.037 -0.860 1.00 0.00 H new ATOM 1012 N CYS A 71 -2.263 -5.583 5.252 1.00 0.00 N ATOM 1013 CA CYS A 71 -1.612 -5.644 6.555 1.00 0.00 C ATOM 1014 C CYS A 71 -1.787 -7.021 7.187 1.00 0.00 C ATOM 1015 O CYS A 71 -2.730 -7.754 6.887 1.00 0.00 O ATOM 1016 CB CYS A 71 -2.180 -4.568 7.483 1.00 0.00 C ATOM 1017 SG CYS A 71 -3.829 -4.959 8.151 1.00 0.00 S ATOM 0 H CYS A 71 -2.896 -4.792 5.134 1.00 0.00 H new ATOM 0 HA CYS A 71 -0.547 -5.464 6.410 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -1.490 -4.418 8.313 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -2.234 -3.625 6.939 1.00 0.00 H new ATOM 1022 N PRO A 72 -0.857 -7.384 8.083 1.00 0.00 N ATOM 1023 CA PRO A 72 -0.888 -8.675 8.777 1.00 0.00 C ATOM 1024 C PRO A 72 -2.032 -8.767 9.780 1.00 0.00 C ATOM 1025 O PRO A 72 -2.313 -9.838 10.319 1.00 0.00 O ATOM 1026 CB PRO A 72 0.462 -8.722 9.498 1.00 0.00 C ATOM 1027 CG PRO A 72 0.842 -7.293 9.682 1.00 0.00 C ATOM 1028 CD PRO A 72 0.295 -6.561 8.488 1.00 0.00 C ATOM 0 HA PRO A 72 -1.048 -9.505 8.088 1.00 0.00 H new ATOM 0 HB2 PRO A 72 0.382 -9.237 10.455 1.00 0.00 H new ATOM 0 HB3 PRO A 72 1.207 -9.257 8.909 1.00 0.00 H new ATOM 0 HG2 PRO A 72 0.426 -6.895 10.608 1.00 0.00 H new ATOM 0 HG3 PRO A 72 1.925 -7.182 9.745 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -0.007 -5.545 8.743 1.00 0.00 H new ATOM 0 HD3 PRO A 72 1.034 -6.484 7.691 1.00 0.00 H new ATOM 1036 N SER A 73 -2.689 -7.638 10.027 1.00 0.00 N ATOM 1037 CA SER A 73 -3.801 -7.591 10.969 1.00 0.00 C ATOM 1038 C SER A 73 -5.114 -7.943 10.277 1.00 0.00 C ATOM 1039 O SER A 73 -6.112 -8.251 10.930 1.00 0.00 O ATOM 1040 CB SER A 73 -3.901 -6.203 11.603 1.00 0.00 C ATOM 1041 OG SER A 73 -4.960 -5.455 11.030 1.00 0.00 O ATOM 0 H SER A 73 -2.470 -6.744 9.588 1.00 0.00 H new ATOM 0 HA SER A 73 -3.614 -8.327 11.751 1.00 0.00 H new ATOM 0 HB2 SER A 73 -4.060 -6.301 12.677 1.00 0.00 H new ATOM 0 HB3 SER A 73 -2.960 -5.669 11.468 1.00 0.00 H new ATOM 0 HG SER A 73 -4.678 -5.103 10.160 1.00 0.00 H new ATOM 1047 N CYS A 74 -5.108 -7.894 8.949 1.00 0.00 N ATOM 1048 CA CYS A 74 -6.297 -8.206 8.165 1.00 0.00 C ATOM 1049 C CYS A 74 -6.184 -9.591 7.534 1.00 0.00 C ATOM 1050 O CYS A 74 -7.091 -10.416 7.654 1.00 0.00 O ATOM 1051 CB CYS A 74 -6.506 -7.153 7.076 1.00 0.00 C ATOM 1052 SG CYS A 74 -7.365 -5.652 7.648 1.00 0.00 S ATOM 0 H CYS A 74 -4.291 -7.641 8.393 1.00 0.00 H new ATOM 0 HA CYS A 74 -7.156 -8.200 8.836 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -5.536 -6.870 6.668 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -7.077 -7.597 6.261 1.00 0.00 H new ATOM 1057 N LYS A 75 -5.065 -9.840 6.862 1.00 0.00 N ATOM 1058 CA LYS A 75 -4.832 -11.125 6.213 1.00 0.00 C ATOM 1059 C LYS A 75 -5.061 -12.276 7.187 1.00 0.00 C ATOM 1060 O LYS A 75 -4.289 -12.471 8.127 1.00 0.00 O ATOM 1061 CB LYS A 75 -3.407 -11.187 5.658 1.00 0.00 C ATOM 1062 CG LYS A 75 -3.010 -12.565 5.156 1.00 0.00 C ATOM 1063 CD LYS A 75 -1.845 -12.489 4.183 1.00 0.00 C ATOM 1064 CE LYS A 75 -2.187 -13.143 2.853 1.00 0.00 C ATOM 1065 NZ LYS A 75 -3.234 -12.383 2.114 1.00 0.00 N ATOM 0 H LYS A 75 -4.305 -9.169 6.753 1.00 0.00 H new ATOM 0 HA LYS A 75 -5.541 -11.223 5.391 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -3.312 -10.471 4.842 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -2.709 -10.878 6.436 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -2.739 -13.197 6.001 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -3.863 -13.035 4.667 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -1.575 -11.446 4.018 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -0.974 -12.979 4.618 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -1.288 -13.212 2.240 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -2.533 -14.162 3.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -3.283 -12.724 1.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -4.155 -12.522 2.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -2.995 -11.371 2.117 1.00 0.00 H new ATOM 1079 N THR A 76 -6.125 -13.038 6.956 1.00 0.00 N ATOM 1080 CA THR A 76 -6.455 -14.170 7.813 1.00 0.00 C ATOM 1081 C THR A 76 -6.289 -15.490 7.068 1.00 0.00 C ATOM 1082 O THR A 76 -7.027 -16.446 7.306 1.00 0.00 O ATOM 1083 CB THR A 76 -7.898 -14.072 8.343 1.00 0.00 C ATOM 1084 OG1 THR A 76 -8.147 -15.123 9.283 1.00 0.00 O ATOM 1085 CG2 THR A 76 -8.901 -14.155 7.203 1.00 0.00 C ATOM 0 H THR A 76 -6.773 -12.892 6.182 1.00 0.00 H new ATOM 0 HA THR A 76 -5.763 -14.141 8.655 1.00 0.00 H new ATOM 0 HB THR A 76 -8.015 -13.108 8.838 1.00 0.00 H new ATOM 0 HG1 THR A 76 -7.910 -15.985 8.881 1.00 0.00 H new ATOM 0 HG21 THR A 76 -9.913 -14.084 7.603 1.00 0.00 H new ATOM 0 HG22 THR A 76 -8.728 -13.336 6.505 1.00 0.00 H new ATOM 0 HG23 THR A 76 -8.783 -15.106 6.683 1.00 0.00 H new ATOM 1093 N ASP A 77 -5.315 -15.536 6.165 1.00 0.00 N ATOM 1094 CA ASP A 77 -5.050 -16.740 5.386 1.00 0.00 C ATOM 1095 C ASP A 77 -3.654 -17.280 5.678 1.00 0.00 C ATOM 1096 O ASP A 77 -3.267 -18.294 5.099 1.00 0.00 O ATOM 1097 CB ASP A 77 -5.197 -16.449 3.892 1.00 0.00 C ATOM 1098 CG ASP A 77 -6.646 -16.408 3.449 1.00 0.00 C ATOM 1099 OD1 ASP A 77 -7.526 -16.738 4.271 1.00 0.00 O ATOM 1100 OD2 ASP A 77 -6.900 -16.047 2.281 1.00 0.00 O ATOM 0 H ASP A 77 -4.696 -14.753 5.955 1.00 0.00 H new ATOM 0 HA ASP A 77 -5.779 -17.497 5.674 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -4.723 -15.495 3.663 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -4.668 -17.213 3.322 1.00 0.00 H new TER 1105 ASP A 77 HETATM 1106 ZN ZN A 201 7.501 1.414 11.952 1.00 0.00 ZN HETATM 1107 ZN ZN A 401 -5.674 -4.055 7.254 1.00 0.00 ZN HETATM 1108 ZN ZN A 601 -4.855 9.688 12.230 1.00 0.00 ZN