USER MOD reduce.3.24.130724 H: found=0, std=0, add=503, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 501 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 32 HIS HD1 : A 32 HIS ND1 : A 998 ZNZN :(H bumps) USER MOD NoAdj-H: A 61 HIS HD1 : A 61 HIS ND1 : A 999 ZNZN :(H bumps) USER MOD Set 1.1: A 51 TYR OH : rot 154:sc= 1.25 USER MOD Set 1.2: A 70 CYS SG : rot 53:sc= 2.23 USER MOD Set 2.1: A 64 GLN : amide:sc= -1.11 K(o=-1.1,f=-3.3) USER MOD Set 2.2: A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 27 ASN : amide:sc= -7.86! C(o=-7.9!,f=-11!) USER MOD Set 3.2: A 31 TYR OH : rot 37:sc= -0.0568! USER MOD Single : A 1 MET CE :methyl 177:sc=-0.00221 (180deg=-0.0064) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 ASN : amide:sc=-0.000127 X(o=-0.00013,f=-0.4) USER MOD Single : A 7 SER OG : rot -52:sc= 1.07 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 145:sc= 0.793 (180deg=-2.24!) USER MOD Single : A 22 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.178) USER MOD Single : A 25 ASN : amide:sc= -0.448 X(o=-0.45,f=-0.59) USER MOD Single : A 26 SER OG : rot 180:sc= -0.51 USER MOD Single : A 34 GLN :FLIP amide:sc= 0.817 F(o=0,f=0.82) USER MOD Single : A 40 GLN :FLIP amide:sc= -1.46 F(o=-2.2,f=-1.5) USER MOD Single : A 43 GLN : amide:sc= -0.21 K(o=-0.21,f=-2.7!) USER MOD Single : A 44 GLN :FLIP amide:sc= -0.21 F(o=-1,f=-0.21) USER MOD Single : A 57 LYS NZ :NH3+ -126:sc= -1.78! (180deg=-4.37!) USER MOD Single : A 58 TYR OH : rot 30:sc= -0.07 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.095 -31.231 -12.686 1.00 0.00 N ATOM 2 CA MET A 1 -3.581 -29.997 -12.026 1.00 0.00 C ATOM 3 C MET A 1 -4.022 -28.769 -12.828 1.00 0.00 C ATOM 4 O MET A 1 -4.549 -27.819 -12.283 1.00 0.00 O ATOM 5 CB MET A 1 -2.050 -30.049 -11.964 1.00 0.00 C ATOM 6 CG MET A 1 -1.563 -29.423 -10.654 1.00 0.00 C ATOM 7 SD MET A 1 -2.059 -27.682 -10.590 1.00 0.00 S ATOM 8 CE MET A 1 -0.601 -26.994 -11.414 1.00 0.00 C ATOM 0 H1 MET A 1 -3.796 -32.066 -12.142 1.00 0.00 H new ATOM 0 H2 MET A 1 -5.134 -31.197 -12.725 1.00 0.00 H new ATOM 0 H3 MET A 1 -3.714 -31.292 -13.652 1.00 0.00 H new ATOM 0 HA MET A 1 -3.981 -29.932 -11.014 1.00 0.00 H new ATOM 0 HB2 MET A 1 -1.709 -31.082 -12.033 1.00 0.00 H new ATOM 0 HB3 MET A 1 -1.624 -29.515 -12.813 1.00 0.00 H new ATOM 0 HG2 MET A 1 -1.982 -29.962 -9.804 1.00 0.00 H new ATOM 0 HG3 MET A 1 -0.479 -29.505 -10.581 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.723 -25.917 -11.530 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.286 -27.196 -10.813 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.487 -27.454 -12.396 1.00 0.00 H new ATOM 18 N ALA A 2 -3.808 -28.785 -14.121 1.00 0.00 N ATOM 19 CA ALA A 2 -4.208 -27.624 -14.972 1.00 0.00 C ATOM 20 C ALA A 2 -3.453 -26.368 -14.520 1.00 0.00 C ATOM 21 O ALA A 2 -2.480 -26.445 -13.796 1.00 0.00 O ATOM 22 CB ALA A 2 -5.719 -27.391 -14.852 1.00 0.00 C ATOM 0 H ALA A 2 -3.371 -29.557 -14.625 1.00 0.00 H new ATOM 0 HA ALA A 2 -3.960 -27.838 -16.012 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -6.007 -26.543 -15.474 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -6.252 -28.282 -15.184 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -5.973 -27.182 -13.813 1.00 0.00 H new ATOM 28 N ASN A 3 -3.896 -25.212 -14.944 1.00 0.00 N ATOM 29 CA ASN A 3 -3.207 -23.952 -14.541 1.00 0.00 C ATOM 30 C ASN A 3 -3.588 -23.601 -13.099 1.00 0.00 C ATOM 31 O ASN A 3 -4.748 -23.597 -12.738 1.00 0.00 O ATOM 32 CB ASN A 3 -3.632 -22.815 -15.474 1.00 0.00 C ATOM 33 CG ASN A 3 -2.811 -21.562 -15.163 1.00 0.00 C ATOM 34 OD1 ASN A 3 -3.116 -20.836 -14.237 1.00 0.00 O ATOM 35 ND2 ASN A 3 -1.775 -21.274 -15.901 1.00 0.00 N ATOM 0 H ASN A 3 -4.705 -25.088 -15.552 1.00 0.00 H new ATOM 0 HA ASN A 3 -2.128 -24.091 -14.608 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -3.485 -23.110 -16.513 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -4.694 -22.606 -15.349 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -1.222 -20.441 -15.701 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -1.518 -21.882 -16.678 1.00 0.00 H new ATOM 42 N ALA A 4 -2.616 -23.305 -12.276 1.00 0.00 N ATOM 43 CA ALA A 4 -2.910 -22.952 -10.857 1.00 0.00 C ATOM 44 C ALA A 4 -1.738 -22.155 -10.274 1.00 0.00 C ATOM 45 O ALA A 4 -1.696 -21.870 -9.092 1.00 0.00 O ATOM 46 CB ALA A 4 -3.113 -24.233 -10.043 1.00 0.00 C ATOM 0 H ALA A 4 -1.628 -23.293 -12.528 1.00 0.00 H new ATOM 0 HA ALA A 4 -3.816 -22.348 -10.814 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -3.328 -23.975 -9.006 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -3.948 -24.798 -10.457 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -2.208 -24.839 -10.086 1.00 0.00 H new ATOM 52 N LEU A 5 -0.786 -21.795 -11.096 1.00 0.00 N ATOM 53 CA LEU A 5 0.385 -21.019 -10.597 1.00 0.00 C ATOM 54 C LEU A 5 0.028 -19.530 -10.544 1.00 0.00 C ATOM 55 O LEU A 5 0.111 -18.825 -11.531 1.00 0.00 O ATOM 56 CB LEU A 5 1.575 -21.228 -11.541 1.00 0.00 C ATOM 57 CG LEU A 5 2.132 -22.647 -11.367 1.00 0.00 C ATOM 58 CD1 LEU A 5 1.285 -23.638 -12.171 1.00 0.00 C ATOM 59 CD2 LEU A 5 3.579 -22.691 -11.867 1.00 0.00 C ATOM 0 H LEU A 5 -0.771 -22.006 -12.094 1.00 0.00 H new ATOM 0 HA LEU A 5 0.650 -21.363 -9.597 1.00 0.00 H new ATOM 0 HB2 LEU A 5 1.263 -21.074 -12.574 1.00 0.00 H new ATOM 0 HB3 LEU A 5 2.352 -20.494 -11.330 1.00 0.00 H new ATOM 0 HG LEU A 5 2.101 -22.919 -10.312 1.00 0.00 H new ATOM 0 HD11 LEU A 5 1.684 -24.644 -12.044 1.00 0.00 H new ATOM 0 HD12 LEU A 5 0.255 -23.609 -11.815 1.00 0.00 H new ATOM 0 HD13 LEU A 5 1.312 -23.367 -13.226 1.00 0.00 H new ATOM 0 HD21 LEU A 5 3.976 -23.699 -11.744 1.00 0.00 H new ATOM 0 HD22 LEU A 5 3.608 -22.416 -12.921 1.00 0.00 H new ATOM 0 HD23 LEU A 5 4.184 -21.990 -11.292 1.00 0.00 H new ATOM 71 N ALA A 6 -0.371 -19.049 -9.394 1.00 0.00 N ATOM 72 CA ALA A 6 -0.736 -17.608 -9.268 1.00 0.00 C ATOM 73 C ALA A 6 0.525 -16.747 -9.400 1.00 0.00 C ATOM 74 O ALA A 6 0.476 -15.634 -9.887 1.00 0.00 O ATOM 75 CB ALA A 6 -1.379 -17.364 -7.902 1.00 0.00 C ATOM 0 H ALA A 6 -0.459 -19.594 -8.536 1.00 0.00 H new ATOM 0 HA ALA A 6 -1.441 -17.341 -10.055 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -1.646 -16.311 -7.808 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -2.276 -17.976 -7.808 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -0.674 -17.631 -7.115 1.00 0.00 H new ATOM 81 N SER A 7 1.651 -17.262 -8.969 1.00 0.00 N ATOM 82 CA SER A 7 2.930 -16.490 -9.059 1.00 0.00 C ATOM 83 C SER A 7 2.767 -15.129 -8.372 1.00 0.00 C ATOM 84 O SER A 7 1.862 -14.924 -7.586 1.00 0.00 O ATOM 85 CB SER A 7 3.306 -16.291 -10.535 1.00 0.00 C ATOM 86 OG SER A 7 2.699 -15.104 -11.031 1.00 0.00 O ATOM 0 H SER A 7 1.739 -18.190 -8.556 1.00 0.00 H new ATOM 0 HA SER A 7 3.723 -17.045 -8.558 1.00 0.00 H new ATOM 0 HB2 SER A 7 4.389 -16.227 -10.638 1.00 0.00 H new ATOM 0 HB3 SER A 7 2.980 -17.150 -11.122 1.00 0.00 H new ATOM 0 HG SER A 7 1.738 -15.124 -10.842 1.00 0.00 H new ATOM 92 N ALA A 8 3.638 -14.197 -8.664 1.00 0.00 N ATOM 93 CA ALA A 8 3.534 -12.849 -8.033 1.00 0.00 C ATOM 94 C ALA A 8 2.241 -12.172 -8.501 1.00 0.00 C ATOM 95 O ALA A 8 1.824 -12.332 -9.633 1.00 0.00 O ATOM 96 CB ALA A 8 4.739 -12.000 -8.445 1.00 0.00 C ATOM 0 H ALA A 8 4.417 -14.312 -9.313 1.00 0.00 H new ATOM 0 HA ALA A 8 3.519 -12.950 -6.948 1.00 0.00 H new ATOM 0 HB1 ALA A 8 4.664 -11.015 -7.985 1.00 0.00 H new ATOM 0 HB2 ALA A 8 5.657 -12.486 -8.115 1.00 0.00 H new ATOM 0 HB3 ALA A 8 4.755 -11.893 -9.530 1.00 0.00 H new ATOM 102 N THR A 9 1.604 -11.424 -7.637 1.00 0.00 N ATOM 103 CA THR A 9 0.335 -10.742 -8.030 1.00 0.00 C ATOM 104 C THR A 9 0.450 -9.236 -7.774 1.00 0.00 C ATOM 105 O THR A 9 1.253 -8.790 -6.976 1.00 0.00 O ATOM 106 CB THR A 9 -0.825 -11.315 -7.210 1.00 0.00 C ATOM 107 OG1 THR A 9 -0.481 -11.297 -5.832 1.00 0.00 O ATOM 108 CG2 THR A 9 -1.111 -12.753 -7.648 1.00 0.00 C ATOM 0 H THR A 9 1.907 -11.256 -6.678 1.00 0.00 H new ATOM 0 HA THR A 9 0.151 -10.909 -9.091 1.00 0.00 H new ATOM 0 HB THR A 9 -1.716 -10.709 -7.373 1.00 0.00 H new ATOM 0 HG1 THR A 9 -1.222 -11.662 -5.305 1.00 0.00 H new ATOM 0 HG21 THR A 9 -1.937 -13.155 -7.061 1.00 0.00 H new ATOM 0 HG22 THR A 9 -1.377 -12.765 -8.705 1.00 0.00 H new ATOM 0 HG23 THR A 9 -0.223 -13.365 -7.491 1.00 0.00 H new ATOM 116 N CYS A 10 -0.346 -8.453 -8.459 1.00 0.00 N ATOM 117 CA CYS A 10 -0.294 -6.965 -8.290 1.00 0.00 C ATOM 118 C CYS A 10 -0.680 -6.565 -6.863 1.00 0.00 C ATOM 119 O CYS A 10 -1.242 -7.335 -6.113 1.00 0.00 O ATOM 120 CB CYS A 10 -1.254 -6.322 -9.289 1.00 0.00 C ATOM 121 SG CYS A 10 -0.922 -4.549 -9.415 1.00 0.00 S ATOM 0 H CYS A 10 -1.036 -8.783 -9.134 1.00 0.00 H new ATOM 0 HA CYS A 10 0.723 -6.619 -8.473 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -1.142 -6.791 -10.266 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -2.284 -6.486 -8.973 1.00 0.00 H new ATOM 126 N GLU A 11 -0.360 -5.357 -6.484 1.00 0.00 N ATOM 127 CA GLU A 11 -0.680 -4.882 -5.108 1.00 0.00 C ATOM 128 C GLU A 11 -2.114 -4.347 -5.050 1.00 0.00 C ATOM 129 O GLU A 11 -2.863 -4.655 -4.143 1.00 0.00 O ATOM 130 CB GLU A 11 0.300 -3.762 -4.738 1.00 0.00 C ATOM 131 CG GLU A 11 -0.135 -3.088 -3.431 1.00 0.00 C ATOM 132 CD GLU A 11 -0.845 -1.766 -3.742 1.00 0.00 C ATOM 133 OE1 GLU A 11 -0.169 -0.831 -4.140 1.00 0.00 O ATOM 134 OE2 GLU A 11 -2.052 -1.711 -3.577 1.00 0.00 O ATOM 0 H GLU A 11 0.114 -4.673 -7.075 1.00 0.00 H new ATOM 0 HA GLU A 11 -0.590 -5.711 -4.406 1.00 0.00 H new ATOM 0 HB2 GLU A 11 1.305 -4.170 -4.629 1.00 0.00 H new ATOM 0 HB3 GLU A 11 0.341 -3.025 -5.540 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -0.801 -3.747 -2.875 1.00 0.00 H new ATOM 0 HG3 GLU A 11 0.734 -2.905 -2.798 1.00 0.00 H new ATOM 141 N ARG A 12 -2.496 -3.529 -5.996 1.00 0.00 N ATOM 142 CA ARG A 12 -3.873 -2.951 -5.978 1.00 0.00 C ATOM 143 C ARG A 12 -4.853 -3.860 -6.730 1.00 0.00 C ATOM 144 O ARG A 12 -6.050 -3.780 -6.534 1.00 0.00 O ATOM 145 CB ARG A 12 -3.835 -1.552 -6.624 1.00 0.00 C ATOM 146 CG ARG A 12 -4.473 -1.563 -8.025 1.00 0.00 C ATOM 147 CD ARG A 12 -5.959 -1.204 -7.914 1.00 0.00 C ATOM 148 NE ARG A 12 -6.773 -2.080 -8.819 1.00 0.00 N ATOM 149 CZ ARG A 12 -6.442 -2.264 -10.071 1.00 0.00 C ATOM 150 NH1 ARG A 12 -5.441 -1.616 -10.595 1.00 0.00 N ATOM 151 NH2 ARG A 12 -7.140 -3.081 -10.811 1.00 0.00 N ATOM 0 H ARG A 12 -1.914 -3.236 -6.781 1.00 0.00 H new ATOM 0 HA ARG A 12 -4.217 -2.870 -4.947 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -4.363 -0.841 -5.988 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -2.802 -1.210 -6.695 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -3.963 -0.850 -8.674 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -4.359 -2.547 -8.480 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -6.293 -1.323 -6.883 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -6.108 -0.157 -8.178 1.00 0.00 H new ATOM 0 HE ARG A 12 -7.604 -2.543 -8.450 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -4.907 -0.958 -10.028 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -5.191 -1.767 -11.572 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -7.940 -3.573 -10.413 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -6.886 -3.228 -11.788 1.00 0.00 H new ATOM 165 N CYS A 13 -4.364 -4.705 -7.600 1.00 0.00 N ATOM 166 CA CYS A 13 -5.288 -5.588 -8.374 1.00 0.00 C ATOM 167 C CYS A 13 -4.988 -7.068 -8.100 1.00 0.00 C ATOM 168 O CYS A 13 -5.784 -7.927 -8.424 1.00 0.00 O ATOM 169 CB CYS A 13 -5.130 -5.282 -9.867 1.00 0.00 C ATOM 170 SG CYS A 13 -4.054 -6.511 -10.638 1.00 0.00 S ATOM 0 H CYS A 13 -3.372 -4.822 -7.807 1.00 0.00 H new ATOM 0 HA CYS A 13 -6.314 -5.394 -8.063 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -6.106 -5.285 -10.353 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -4.711 -4.285 -10.000 1.00 0.00 H new ATOM 175 N LYS A 14 -3.858 -7.376 -7.505 1.00 0.00 N ATOM 176 CA LYS A 14 -3.520 -8.800 -7.208 1.00 0.00 C ATOM 177 C LYS A 14 -3.595 -9.635 -8.497 1.00 0.00 C ATOM 178 O LYS A 14 -3.830 -10.825 -8.477 1.00 0.00 O ATOM 179 CB LYS A 14 -4.473 -9.314 -6.105 1.00 0.00 C ATOM 180 CG LYS A 14 -5.621 -10.161 -6.674 1.00 0.00 C ATOM 181 CD LYS A 14 -5.322 -11.635 -6.407 1.00 0.00 C ATOM 182 CE LYS A 14 -6.205 -12.519 -7.295 1.00 0.00 C ATOM 183 NZ LYS A 14 -5.917 -12.238 -8.731 1.00 0.00 N ATOM 0 H LYS A 14 -3.155 -6.697 -7.213 1.00 0.00 H new ATOM 0 HA LYS A 14 -2.499 -8.889 -6.837 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -3.907 -9.908 -5.387 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -4.886 -8.465 -5.561 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -6.566 -9.877 -6.210 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -5.726 -9.985 -7.745 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -4.270 -11.843 -6.604 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -5.501 -11.866 -5.357 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -6.020 -13.571 -7.076 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -7.257 -12.330 -7.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -6.000 -13.117 -9.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -6.598 -11.539 -9.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -4.952 -11.862 -8.824 1.00 0.00 H new ATOM 197 N GLY A 15 -3.367 -9.016 -9.624 1.00 0.00 N ATOM 198 CA GLY A 15 -3.411 -9.767 -10.910 1.00 0.00 C ATOM 199 C GLY A 15 -2.123 -10.570 -11.078 1.00 0.00 C ATOM 200 O GLY A 15 -1.037 -10.022 -11.079 1.00 0.00 O ATOM 0 H GLY A 15 -3.152 -8.022 -9.709 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -4.272 -10.435 -10.924 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -3.531 -9.075 -11.743 1.00 0.00 H new ATOM 204 N GLY A 16 -2.237 -11.866 -11.221 1.00 0.00 N ATOM 205 CA GLY A 16 -1.021 -12.712 -11.393 1.00 0.00 C ATOM 206 C GLY A 16 -0.272 -12.261 -12.645 1.00 0.00 C ATOM 207 O GLY A 16 -0.629 -12.609 -13.754 1.00 0.00 O ATOM 0 H GLY A 16 -3.122 -12.374 -11.226 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -0.377 -12.627 -10.518 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -1.302 -13.761 -11.481 1.00 0.00 H new ATOM 211 N PHE A 17 0.760 -11.478 -12.473 1.00 0.00 N ATOM 212 CA PHE A 17 1.538 -10.984 -13.648 1.00 0.00 C ATOM 213 C PHE A 17 2.917 -11.651 -13.684 1.00 0.00 C ATOM 214 O PHE A 17 3.181 -12.592 -12.963 1.00 0.00 O ATOM 215 CB PHE A 17 1.693 -9.454 -13.568 1.00 0.00 C ATOM 216 CG PHE A 17 1.940 -8.990 -12.141 1.00 0.00 C ATOM 217 CD1 PHE A 17 2.532 -9.845 -11.198 1.00 0.00 C ATOM 218 CD2 PHE A 17 1.589 -7.682 -11.767 1.00 0.00 C ATOM 219 CE1 PHE A 17 2.764 -9.396 -9.898 1.00 0.00 C ATOM 220 CE2 PHE A 17 1.828 -7.240 -10.467 1.00 0.00 C ATOM 221 CZ PHE A 17 2.415 -8.096 -9.533 1.00 0.00 C ATOM 0 H PHE A 17 1.099 -11.158 -11.566 1.00 0.00 H new ATOM 0 HA PHE A 17 1.001 -11.239 -14.561 1.00 0.00 H new ATOM 0 HB2 PHE A 17 2.521 -9.138 -14.202 1.00 0.00 H new ATOM 0 HB3 PHE A 17 0.794 -8.976 -13.956 1.00 0.00 H new ATOM 0 HD1 PHE A 17 2.808 -10.851 -11.479 1.00 0.00 H new ATOM 0 HD2 PHE A 17 1.134 -7.019 -12.487 1.00 0.00 H new ATOM 0 HE1 PHE A 17 3.215 -10.057 -9.172 1.00 0.00 H new ATOM 0 HE2 PHE A 17 1.559 -6.234 -10.182 1.00 0.00 H new ATOM 0 HZ PHE A 17 2.599 -7.751 -8.526 1.00 0.00 H new ATOM 231 N ALA A 18 3.794 -11.170 -14.527 1.00 0.00 N ATOM 232 CA ALA A 18 5.156 -11.771 -14.622 1.00 0.00 C ATOM 233 C ALA A 18 6.043 -10.932 -15.559 1.00 0.00 C ATOM 234 O ALA A 18 7.107 -10.502 -15.158 1.00 0.00 O ATOM 235 CB ALA A 18 5.054 -13.207 -15.153 1.00 0.00 C ATOM 0 H ALA A 18 3.624 -10.385 -15.155 1.00 0.00 H new ATOM 0 HA ALA A 18 5.605 -11.785 -13.629 1.00 0.00 H new ATOM 0 HB1 ALA A 18 6.051 -13.642 -15.221 1.00 0.00 H new ATOM 0 HB2 ALA A 18 4.444 -13.803 -14.475 1.00 0.00 H new ATOM 0 HB3 ALA A 18 4.595 -13.198 -16.141 1.00 0.00 H new ATOM 241 N PRO A 19 5.591 -10.722 -16.781 1.00 0.00 N ATOM 242 CA PRO A 19 6.358 -9.935 -17.770 1.00 0.00 C ATOM 243 C PRO A 19 6.635 -8.527 -17.234 1.00 0.00 C ATOM 244 O PRO A 19 5.836 -7.958 -16.518 1.00 0.00 O ATOM 245 CB PRO A 19 5.461 -9.879 -19.015 1.00 0.00 C ATOM 246 CG PRO A 19 4.192 -10.717 -18.719 1.00 0.00 C ATOM 247 CD PRO A 19 4.299 -11.241 -17.278 1.00 0.00 C ATOM 0 HA PRO A 19 7.328 -10.380 -17.989 1.00 0.00 H new ATOM 0 HB2 PRO A 19 5.193 -8.848 -19.247 1.00 0.00 H new ATOM 0 HB3 PRO A 19 5.987 -10.275 -19.884 1.00 0.00 H new ATOM 0 HG2 PRO A 19 3.296 -10.108 -18.838 1.00 0.00 H new ATOM 0 HG3 PRO A 19 4.110 -11.546 -19.422 1.00 0.00 H new ATOM 0 HD2 PRO A 19 3.469 -10.887 -16.666 1.00 0.00 H new ATOM 0 HD3 PRO A 19 4.274 -12.330 -17.251 1.00 0.00 H new ATOM 255 N ALA A 20 7.769 -7.967 -17.574 1.00 0.00 N ATOM 256 CA ALA A 20 8.121 -6.598 -17.087 1.00 0.00 C ATOM 257 C ALA A 20 7.030 -5.596 -17.483 1.00 0.00 C ATOM 258 O ALA A 20 6.869 -4.567 -16.856 1.00 0.00 O ATOM 259 CB ALA A 20 9.454 -6.168 -17.704 1.00 0.00 C ATOM 0 H ALA A 20 8.471 -8.403 -18.172 1.00 0.00 H new ATOM 0 HA ALA A 20 8.205 -6.619 -16.000 1.00 0.00 H new ATOM 0 HB1 ALA A 20 9.713 -5.170 -17.351 1.00 0.00 H new ATOM 0 HB2 ALA A 20 10.234 -6.871 -17.411 1.00 0.00 H new ATOM 0 HB3 ALA A 20 9.365 -6.157 -18.790 1.00 0.00 H new ATOM 265 N GLU A 21 6.278 -5.888 -18.513 1.00 0.00 N ATOM 266 CA GLU A 21 5.199 -4.952 -18.936 1.00 0.00 C ATOM 267 C GLU A 21 4.056 -5.033 -17.928 1.00 0.00 C ATOM 268 O GLU A 21 3.377 -4.061 -17.661 1.00 0.00 O ATOM 269 CB GLU A 21 4.688 -5.348 -20.327 1.00 0.00 C ATOM 270 CG GLU A 21 5.037 -4.250 -21.336 1.00 0.00 C ATOM 271 CD GLU A 21 3.995 -3.131 -21.261 1.00 0.00 C ATOM 272 OE1 GLU A 21 4.092 -2.317 -20.358 1.00 0.00 O ATOM 273 OE2 GLU A 21 3.117 -3.108 -22.108 1.00 0.00 O ATOM 0 H GLU A 21 6.366 -6.733 -19.077 1.00 0.00 H new ATOM 0 HA GLU A 21 5.587 -3.934 -18.977 1.00 0.00 H new ATOM 0 HB2 GLU A 21 5.136 -6.293 -20.634 1.00 0.00 H new ATOM 0 HB3 GLU A 21 3.609 -5.500 -20.299 1.00 0.00 H new ATOM 0 HG2 GLU A 21 6.029 -3.851 -21.125 1.00 0.00 H new ATOM 0 HG3 GLU A 21 5.068 -4.665 -22.344 1.00 0.00 H new ATOM 280 N LYS A 22 3.851 -6.191 -17.358 1.00 0.00 N ATOM 281 CA LYS A 22 2.763 -6.354 -16.357 1.00 0.00 C ATOM 282 C LYS A 22 3.355 -6.259 -14.949 1.00 0.00 C ATOM 283 O LYS A 22 2.677 -5.913 -14.003 1.00 0.00 O ATOM 284 CB LYS A 22 2.097 -7.719 -16.546 1.00 0.00 C ATOM 285 CG LYS A 22 1.353 -7.745 -17.883 1.00 0.00 C ATOM 286 CD LYS A 22 0.424 -8.961 -17.932 1.00 0.00 C ATOM 287 CE LYS A 22 -0.578 -8.799 -19.078 1.00 0.00 C ATOM 288 NZ LYS A 22 0.159 -8.683 -20.370 1.00 0.00 N ATOM 0 H LYS A 22 4.395 -7.033 -17.546 1.00 0.00 H new ATOM 0 HA LYS A 22 2.019 -5.569 -16.492 1.00 0.00 H new ATOM 0 HB2 LYS A 22 2.848 -8.508 -16.521 1.00 0.00 H new ATOM 0 HB3 LYS A 22 1.403 -7.913 -15.728 1.00 0.00 H new ATOM 0 HG2 LYS A 22 0.776 -6.829 -18.007 1.00 0.00 H new ATOM 0 HG3 LYS A 22 2.066 -7.786 -18.706 1.00 0.00 H new ATOM 0 HD2 LYS A 22 1.007 -9.871 -18.072 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -0.106 -9.065 -16.985 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -1.254 -9.654 -19.108 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -1.192 -7.913 -18.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -0.504 -8.811 -21.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 0.599 -7.743 -20.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 0.897 -9.414 -20.416 1.00 0.00 H new ATOM 302 N ILE A 23 4.619 -6.563 -14.808 1.00 0.00 N ATOM 303 CA ILE A 23 5.268 -6.493 -13.469 1.00 0.00 C ATOM 304 C ILE A 23 5.984 -5.145 -13.329 1.00 0.00 C ATOM 305 O ILE A 23 6.913 -4.846 -14.052 1.00 0.00 O ATOM 306 CB ILE A 23 6.275 -7.652 -13.329 1.00 0.00 C ATOM 307 CG1 ILE A 23 5.609 -8.819 -12.586 1.00 0.00 C ATOM 308 CG2 ILE A 23 7.522 -7.197 -12.557 1.00 0.00 C ATOM 309 CD1 ILE A 23 5.467 -8.487 -11.096 1.00 0.00 C ATOM 0 H ILE A 23 5.231 -6.858 -15.568 1.00 0.00 H new ATOM 0 HA ILE A 23 4.518 -6.581 -12.683 1.00 0.00 H new ATOM 0 HB ILE A 23 6.581 -7.972 -14.325 1.00 0.00 H new ATOM 0 HG12 ILE A 23 4.628 -9.021 -13.016 1.00 0.00 H new ATOM 0 HG13 ILE A 23 6.203 -9.724 -12.709 1.00 0.00 H new ATOM 0 HG21 ILE A 23 8.220 -8.030 -12.469 1.00 0.00 H new ATOM 0 HG22 ILE A 23 8.001 -6.377 -13.091 1.00 0.00 H new ATOM 0 HG23 ILE A 23 7.231 -6.861 -11.562 1.00 0.00 H new ATOM 0 HD11 ILE A 23 4.993 -9.323 -10.581 1.00 0.00 H new ATOM 0 HD12 ILE A 23 6.453 -8.308 -10.667 1.00 0.00 H new ATOM 0 HD13 ILE A 23 4.853 -7.594 -10.979 1.00 0.00 H new ATOM 321 N VAL A 24 5.554 -4.337 -12.398 1.00 0.00 N ATOM 322 CA VAL A 24 6.199 -3.009 -12.188 1.00 0.00 C ATOM 323 C VAL A 24 6.408 -2.806 -10.689 1.00 0.00 C ATOM 324 O VAL A 24 5.668 -2.095 -10.043 1.00 0.00 O ATOM 325 CB VAL A 24 5.296 -1.893 -12.729 1.00 0.00 C ATOM 326 CG1 VAL A 24 6.132 -0.636 -12.982 1.00 0.00 C ATOM 327 CG2 VAL A 24 4.643 -2.340 -14.043 1.00 0.00 C ATOM 0 H VAL A 24 4.777 -4.542 -11.769 1.00 0.00 H new ATOM 0 HA VAL A 24 7.153 -2.976 -12.715 1.00 0.00 H new ATOM 0 HB VAL A 24 4.519 -1.676 -11.996 1.00 0.00 H new ATOM 0 HG11 VAL A 24 5.490 0.157 -13.366 1.00 0.00 H new ATOM 0 HG12 VAL A 24 6.591 -0.310 -12.049 1.00 0.00 H new ATOM 0 HG13 VAL A 24 6.911 -0.858 -13.711 1.00 0.00 H new ATOM 0 HG21 VAL A 24 4.003 -1.543 -14.421 1.00 0.00 H new ATOM 0 HG22 VAL A 24 5.418 -2.563 -14.777 1.00 0.00 H new ATOM 0 HG23 VAL A 24 4.043 -3.233 -13.866 1.00 0.00 H new ATOM 337 N ASN A 25 7.407 -3.431 -10.130 1.00 0.00 N ATOM 338 CA ASN A 25 7.658 -3.278 -8.673 1.00 0.00 C ATOM 339 C ASN A 25 8.407 -1.975 -8.430 1.00 0.00 C ATOM 340 O ASN A 25 9.248 -1.569 -9.209 1.00 0.00 O ATOM 341 CB ASN A 25 8.478 -4.466 -8.158 1.00 0.00 C ATOM 342 CG ASN A 25 9.333 -4.038 -6.960 1.00 0.00 C ATOM 343 OD1 ASN A 25 8.904 -4.135 -5.827 1.00 0.00 O ATOM 344 ND2 ASN A 25 10.531 -3.564 -7.164 1.00 0.00 N ATOM 0 H ASN A 25 8.060 -4.041 -10.621 1.00 0.00 H new ATOM 0 HA ASN A 25 6.709 -3.253 -8.137 1.00 0.00 H new ATOM 0 HB2 ASN A 25 7.812 -5.278 -7.867 1.00 0.00 H new ATOM 0 HB3 ASN A 25 9.118 -4.848 -8.953 1.00 0.00 H new ATOM 0 HD21 ASN A 25 11.107 -3.275 -6.373 1.00 0.00 H new ATOM 0 HD22 ASN A 25 10.892 -3.482 -8.114 1.00 0.00 H new ATOM 351 N SER A 26 8.096 -1.316 -7.357 1.00 0.00 N ATOM 352 CA SER A 26 8.765 -0.032 -7.045 1.00 0.00 C ATOM 353 C SER A 26 8.579 0.257 -5.555 1.00 0.00 C ATOM 354 O SER A 26 7.553 -0.056 -4.987 1.00 0.00 O ATOM 355 CB SER A 26 8.128 1.066 -7.900 1.00 0.00 C ATOM 356 OG SER A 26 7.880 2.219 -7.106 1.00 0.00 O ATOM 0 H SER A 26 7.399 -1.616 -6.675 1.00 0.00 H new ATOM 0 HA SER A 26 9.831 -0.075 -7.266 1.00 0.00 H new ATOM 0 HB2 SER A 26 8.788 1.321 -8.730 1.00 0.00 H new ATOM 0 HB3 SER A 26 7.195 0.705 -8.333 1.00 0.00 H new ATOM 0 HG SER A 26 7.474 2.917 -7.661 1.00 0.00 H new ATOM 362 N ASN A 27 9.572 0.827 -4.918 1.00 0.00 N ATOM 363 CA ASN A 27 9.474 1.121 -3.453 1.00 0.00 C ATOM 364 C ASN A 27 9.552 -0.192 -2.665 1.00 0.00 C ATOM 365 O ASN A 27 10.149 -0.263 -1.608 1.00 0.00 O ATOM 366 CB ASN A 27 8.154 1.857 -3.148 1.00 0.00 C ATOM 367 CG ASN A 27 7.141 0.916 -2.471 1.00 0.00 C ATOM 368 OD1 ASN A 27 6.086 0.656 -3.010 1.00 0.00 O ATOM 369 ND2 ASN A 27 7.415 0.398 -1.304 1.00 0.00 N ATOM 0 H ASN A 27 10.453 1.103 -5.352 1.00 0.00 H new ATOM 0 HA ASN A 27 10.302 1.765 -3.155 1.00 0.00 H new ATOM 0 HB2 ASN A 27 8.351 2.711 -2.500 1.00 0.00 H new ATOM 0 HB3 ASN A 27 7.730 2.249 -4.073 1.00 0.00 H new ATOM 0 HD21 ASN A 27 6.743 -0.222 -0.851 1.00 0.00 H new ATOM 0 HD22 ASN A 27 8.301 0.613 -0.846 1.00 0.00 H new ATOM 376 N GLY A 28 8.942 -1.225 -3.177 1.00 0.00 N ATOM 377 CA GLY A 28 8.952 -2.544 -2.482 1.00 0.00 C ATOM 378 C GLY A 28 7.657 -3.291 -2.812 1.00 0.00 C ATOM 379 O GLY A 28 7.558 -4.489 -2.634 1.00 0.00 O ATOM 0 H GLY A 28 8.430 -1.211 -4.059 1.00 0.00 H new ATOM 0 HA2 GLY A 28 9.815 -3.130 -2.798 1.00 0.00 H new ATOM 0 HA3 GLY A 28 9.040 -2.401 -1.405 1.00 0.00 H new ATOM 383 N GLU A 29 6.667 -2.584 -3.295 1.00 0.00 N ATOM 384 CA GLU A 29 5.368 -3.235 -3.645 1.00 0.00 C ATOM 385 C GLU A 29 5.347 -3.563 -5.141 1.00 0.00 C ATOM 386 O GLU A 29 6.275 -3.256 -5.864 1.00 0.00 O ATOM 387 CB GLU A 29 4.223 -2.275 -3.314 1.00 0.00 C ATOM 388 CG GLU A 29 3.556 -2.688 -1.999 1.00 0.00 C ATOM 389 CD GLU A 29 2.990 -1.445 -1.304 1.00 0.00 C ATOM 390 OE1 GLU A 29 1.989 -0.930 -1.777 1.00 0.00 O ATOM 391 OE2 GLU A 29 3.569 -1.027 -0.315 1.00 0.00 O ATOM 0 H GLU A 29 6.703 -1.579 -3.463 1.00 0.00 H new ATOM 0 HA GLU A 29 5.252 -4.156 -3.074 1.00 0.00 H new ATOM 0 HB2 GLU A 29 4.603 -1.257 -3.234 1.00 0.00 H new ATOM 0 HB3 GLU A 29 3.489 -2.279 -4.120 1.00 0.00 H new ATOM 0 HG2 GLU A 29 2.758 -3.405 -2.192 1.00 0.00 H new ATOM 0 HG3 GLU A 29 4.279 -3.183 -1.351 1.00 0.00 H new ATOM 398 N LEU A 30 4.293 -4.185 -5.608 1.00 0.00 N ATOM 399 CA LEU A 30 4.201 -4.542 -7.058 1.00 0.00 C ATOM 400 C LEU A 30 3.014 -3.821 -7.696 1.00 0.00 C ATOM 401 O LEU A 30 1.981 -3.638 -7.082 1.00 0.00 O ATOM 402 CB LEU A 30 3.993 -6.050 -7.199 1.00 0.00 C ATOM 403 CG LEU A 30 5.345 -6.764 -7.293 1.00 0.00 C ATOM 404 CD1 LEU A 30 6.155 -6.521 -6.015 1.00 0.00 C ATOM 405 CD2 LEU A 30 5.116 -8.268 -7.469 1.00 0.00 C ATOM 0 H LEU A 30 3.489 -4.462 -5.045 1.00 0.00 H new ATOM 0 HA LEU A 30 5.123 -4.243 -7.556 1.00 0.00 H new ATOM 0 HB2 LEU A 30 3.432 -6.429 -6.344 1.00 0.00 H new ATOM 0 HB3 LEU A 30 3.399 -6.261 -8.089 1.00 0.00 H new ATOM 0 HG LEU A 30 5.897 -6.373 -8.148 1.00 0.00 H new ATOM 0 HD11 LEU A 30 7.115 -7.032 -6.090 1.00 0.00 H new ATOM 0 HD12 LEU A 30 6.322 -5.451 -5.888 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.605 -6.906 -5.157 1.00 0.00 H new ATOM 0 HD21 LEU A 30 6.077 -8.777 -7.536 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.560 -8.654 -6.615 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.547 -8.445 -8.382 1.00 0.00 H new ATOM 417 N TYR A 31 3.156 -3.413 -8.931 1.00 0.00 N ATOM 418 CA TYR A 31 2.041 -2.706 -9.626 1.00 0.00 C ATOM 419 C TYR A 31 2.042 -3.088 -11.108 1.00 0.00 C ATOM 420 O TYR A 31 3.044 -3.503 -11.655 1.00 0.00 O ATOM 421 CB TYR A 31 2.222 -1.179 -9.521 1.00 0.00 C ATOM 422 CG TYR A 31 2.669 -0.760 -8.132 1.00 0.00 C ATOM 423 CD1 TYR A 31 3.924 -1.148 -7.646 1.00 0.00 C ATOM 424 CD2 TYR A 31 1.831 0.039 -7.341 1.00 0.00 C ATOM 425 CE1 TYR A 31 4.341 -0.745 -6.375 1.00 0.00 C ATOM 426 CE2 TYR A 31 2.249 0.443 -6.066 1.00 0.00 C ATOM 427 CZ TYR A 31 3.501 0.051 -5.584 1.00 0.00 C ATOM 428 OH TYR A 31 3.904 0.453 -4.330 1.00 0.00 O ATOM 0 H TYR A 31 4.000 -3.540 -9.489 1.00 0.00 H new ATOM 0 HA TYR A 31 1.102 -2.996 -9.155 1.00 0.00 H new ATOM 0 HB2 TYR A 31 2.957 -0.849 -10.255 1.00 0.00 H new ATOM 0 HB3 TYR A 31 1.282 -0.684 -9.766 1.00 0.00 H new ATOM 0 HD1 TYR A 31 4.571 -1.761 -8.256 1.00 0.00 H new ATOM 0 HD2 TYR A 31 0.864 0.343 -7.714 1.00 0.00 H new ATOM 0 HE1 TYR A 31 5.309 -1.046 -6.003 1.00 0.00 H new ATOM 0 HE2 TYR A 31 1.604 1.057 -5.456 1.00 0.00 H new ATOM 0 HH TYR A 31 4.864 0.649 -4.342 1.00 0.00 H new ATOM 438 N HIS A 32 0.926 -2.918 -11.758 1.00 0.00 N ATOM 439 CA HIS A 32 0.829 -3.225 -13.213 1.00 0.00 C ATOM 440 C HIS A 32 1.146 -1.951 -13.980 1.00 0.00 C ATOM 441 O HIS A 32 1.350 -0.903 -13.398 1.00 0.00 O ATOM 442 CB HIS A 32 -0.605 -3.629 -13.568 1.00 0.00 C ATOM 443 CG HIS A 32 -0.745 -5.121 -13.601 1.00 0.00 C ATOM 444 ND1 HIS A 32 -1.477 -5.793 -12.649 1.00 0.00 N ATOM 445 CD2 HIS A 32 -0.291 -6.074 -14.475 1.00 0.00 C ATOM 446 CE1 HIS A 32 -1.451 -7.101 -12.960 1.00 0.00 C ATOM 447 NE2 HIS A 32 -0.740 -7.328 -14.069 1.00 0.00 N ATOM 0 H HIS A 32 0.063 -2.574 -11.337 1.00 0.00 H new ATOM 0 HA HIS A 32 1.516 -4.034 -13.462 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -1.297 -3.210 -12.837 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -0.875 -3.212 -14.538 1.00 0.00 H new ATOM 0 HD2 HIS A 32 0.320 -5.882 -15.344 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -1.943 -7.872 -12.386 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -0.564 -8.226 -14.520 1.00 0.00 H new ATOM 455 N GLU A 33 1.150 -2.014 -15.277 1.00 0.00 N ATOM 456 CA GLU A 33 1.410 -0.784 -16.062 1.00 0.00 C ATOM 457 C GLU A 33 0.139 0.072 -16.044 1.00 0.00 C ATOM 458 O GLU A 33 0.082 1.138 -16.628 1.00 0.00 O ATOM 459 CB GLU A 33 1.785 -1.149 -17.505 1.00 0.00 C ATOM 460 CG GLU A 33 0.761 -2.139 -18.076 1.00 0.00 C ATOM 461 CD GLU A 33 1.143 -2.508 -19.512 1.00 0.00 C ATOM 462 OE1 GLU A 33 1.154 -1.621 -20.350 1.00 0.00 O ATOM 463 OE2 GLU A 33 1.415 -3.674 -19.750 1.00 0.00 O ATOM 0 H GLU A 33 0.986 -2.859 -15.825 1.00 0.00 H new ATOM 0 HA GLU A 33 2.240 -0.228 -15.627 1.00 0.00 H new ATOM 0 HB2 GLU A 33 1.817 -0.250 -18.120 1.00 0.00 H new ATOM 0 HB3 GLU A 33 2.782 -1.588 -17.531 1.00 0.00 H new ATOM 0 HG2 GLU A 33 0.724 -3.036 -17.458 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -0.235 -1.698 -18.057 1.00 0.00 H new ATOM 470 N GLN A 34 -0.880 -0.396 -15.362 1.00 0.00 N ATOM 471 CA GLN A 34 -2.157 0.368 -15.280 1.00 0.00 C ATOM 472 C GLN A 34 -2.870 0.031 -13.966 1.00 0.00 C ATOM 473 O GLN A 34 -4.065 -0.193 -13.933 1.00 0.00 O ATOM 474 CB GLN A 34 -3.051 0.000 -16.472 1.00 0.00 C ATOM 475 CG GLN A 34 -4.186 1.023 -16.607 1.00 0.00 C ATOM 476 CD GLN A 34 -5.511 0.296 -16.846 1.00 0.00 C ATOM 477 OE1 GLN A 34 -6.145 0.474 -17.973 1.00 0.00 O flip ATOM 478 NE2 GLN A 34 -5.975 -0.443 -16.000 1.00 0.00 N flip ATOM 0 H GLN A 34 -0.877 -1.282 -14.856 1.00 0.00 H new ATOM 0 HA GLN A 34 -1.947 1.437 -15.308 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -2.460 -0.024 -17.388 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -3.464 -0.999 -16.333 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -4.251 1.630 -15.704 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -3.979 1.703 -17.433 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -5.481 -0.583 -15.119 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -6.859 -0.923 -16.171 1.00 0.00 H new ATOM 487 N CYS A 35 -2.143 0.009 -12.882 1.00 0.00 N ATOM 488 CA CYS A 35 -2.763 -0.295 -11.557 1.00 0.00 C ATOM 489 C CYS A 35 -2.303 0.755 -10.548 1.00 0.00 C ATOM 490 O CYS A 35 -2.900 0.928 -9.506 1.00 0.00 O ATOM 491 CB CYS A 35 -2.326 -1.680 -11.075 1.00 0.00 C ATOM 492 SG CYS A 35 -3.321 -2.969 -11.872 1.00 0.00 S ATOM 0 H CYS A 35 -1.139 0.190 -12.856 1.00 0.00 H new ATOM 0 HA CYS A 35 -3.849 -0.280 -11.653 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -1.271 -1.834 -11.301 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -2.433 -1.746 -9.992 1.00 0.00 H new ATOM 497 N PHE A 36 -1.244 1.458 -10.862 1.00 0.00 N ATOM 498 CA PHE A 36 -0.725 2.510 -9.939 1.00 0.00 C ATOM 499 C PHE A 36 -1.898 3.345 -9.409 1.00 0.00 C ATOM 500 O PHE A 36 -2.449 4.170 -10.113 1.00 0.00 O ATOM 501 CB PHE A 36 0.247 3.410 -10.710 1.00 0.00 C ATOM 502 CG PHE A 36 1.598 2.741 -10.806 1.00 0.00 C ATOM 503 CD1 PHE A 36 1.765 1.598 -11.594 1.00 0.00 C ATOM 504 CD2 PHE A 36 2.683 3.271 -10.107 1.00 0.00 C ATOM 505 CE1 PHE A 36 3.021 0.985 -11.679 1.00 0.00 C ATOM 506 CE2 PHE A 36 3.939 2.661 -10.190 1.00 0.00 C ATOM 507 CZ PHE A 36 4.108 1.518 -10.976 1.00 0.00 C ATOM 0 H PHE A 36 -0.713 1.346 -11.726 1.00 0.00 H new ATOM 0 HA PHE A 36 -0.207 2.048 -9.099 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -0.142 3.609 -11.709 1.00 0.00 H new ATOM 0 HB3 PHE A 36 0.343 4.372 -10.207 1.00 0.00 H new ATOM 0 HD1 PHE A 36 0.926 1.188 -12.137 1.00 0.00 H new ATOM 0 HD2 PHE A 36 2.553 4.155 -9.500 1.00 0.00 H new ATOM 0 HE1 PHE A 36 3.151 0.102 -12.286 1.00 0.00 H new ATOM 0 HE2 PHE A 36 4.777 3.073 -9.647 1.00 0.00 H new ATOM 0 HZ PHE A 36 5.077 1.046 -11.041 1.00 0.00 H new ATOM 517 N VAL A 37 -2.295 3.121 -8.180 1.00 0.00 N ATOM 518 CA VAL A 37 -3.448 3.885 -7.606 1.00 0.00 C ATOM 519 C VAL A 37 -2.967 4.886 -6.557 1.00 0.00 C ATOM 520 O VAL A 37 -1.871 4.799 -6.041 1.00 0.00 O ATOM 521 CB VAL A 37 -4.451 2.928 -6.945 1.00 0.00 C ATOM 522 CG1 VAL A 37 -5.596 2.632 -7.916 1.00 0.00 C ATOM 523 CG2 VAL A 37 -3.766 1.615 -6.566 1.00 0.00 C ATOM 0 H VAL A 37 -1.870 2.442 -7.549 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.930 4.419 -8.425 1.00 0.00 H new ATOM 0 HB VAL A 37 -4.840 3.402 -6.044 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -6.306 1.953 -7.445 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -6.101 3.562 -8.177 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -5.197 2.170 -8.819 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -4.491 0.948 -6.099 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -3.363 1.143 -7.462 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -2.955 1.817 -5.866 1.00 0.00 H new ATOM 533 N CYS A 38 -3.804 5.833 -6.239 1.00 0.00 N ATOM 534 CA CYS A 38 -3.450 6.864 -5.220 1.00 0.00 C ATOM 535 C CYS A 38 -3.890 6.383 -3.835 1.00 0.00 C ATOM 536 O CYS A 38 -5.044 6.085 -3.611 1.00 0.00 O ATOM 537 CB CYS A 38 -4.186 8.161 -5.569 1.00 0.00 C ATOM 538 SG CYS A 38 -3.637 9.519 -4.502 1.00 0.00 S ATOM 0 H CYS A 38 -4.733 5.939 -6.647 1.00 0.00 H new ATOM 0 HA CYS A 38 -2.373 7.034 -5.214 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -4.006 8.417 -6.613 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -5.261 8.016 -5.457 1.00 0.00 H new ATOM 543 N ALA A 39 -2.980 6.305 -2.903 1.00 0.00 N ATOM 544 CA ALA A 39 -3.348 5.845 -1.530 1.00 0.00 C ATOM 545 C ALA A 39 -4.452 6.744 -0.956 1.00 0.00 C ATOM 546 O ALA A 39 -5.009 6.463 0.088 1.00 0.00 O ATOM 547 CB ALA A 39 -2.115 5.911 -0.622 1.00 0.00 C ATOM 0 H ALA A 39 -1.996 6.540 -3.031 1.00 0.00 H new ATOM 0 HA ALA A 39 -3.711 4.819 -1.582 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -2.383 5.576 0.380 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -1.333 5.267 -1.023 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -1.752 6.938 -0.576 1.00 0.00 H new ATOM 553 N GLN A 40 -4.769 7.823 -1.630 1.00 0.00 N ATOM 554 CA GLN A 40 -5.829 8.743 -1.128 1.00 0.00 C ATOM 555 C GLN A 40 -7.084 8.621 -2.003 1.00 0.00 C ATOM 556 O GLN A 40 -8.132 8.218 -1.537 1.00 0.00 O ATOM 557 CB GLN A 40 -5.304 10.181 -1.163 1.00 0.00 C ATOM 558 CG GLN A 40 -3.998 10.262 -0.365 1.00 0.00 C ATOM 559 CD GLN A 40 -3.651 11.725 -0.080 1.00 0.00 C ATOM 560 OE1 GLN A 40 -2.501 12.199 -0.474 1.00 0.00 O flip ATOM 561 NE2 GLN A 40 -4.434 12.445 0.508 1.00 0.00 N flip ATOM 0 H GLN A 40 -4.336 8.104 -2.509 1.00 0.00 H new ATOM 0 HA GLN A 40 -6.089 8.476 -0.104 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -5.134 10.494 -2.193 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -6.044 10.861 -0.741 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -4.100 9.714 0.572 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -3.190 9.790 -0.924 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -5.333 12.076 0.817 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -4.192 13.418 0.693 1.00 0.00 H new ATOM 570 N CYS A 41 -6.992 8.965 -3.265 1.00 0.00 N ATOM 571 CA CYS A 41 -8.190 8.864 -4.157 1.00 0.00 C ATOM 572 C CYS A 41 -8.302 7.441 -4.713 1.00 0.00 C ATOM 573 O CYS A 41 -9.307 7.068 -5.286 1.00 0.00 O ATOM 574 CB CYS A 41 -8.064 9.860 -5.316 1.00 0.00 C ATOM 575 SG CYS A 41 -6.749 9.336 -6.446 1.00 0.00 S ATOM 0 H CYS A 41 -6.144 9.310 -3.714 1.00 0.00 H new ATOM 0 HA CYS A 41 -9.084 9.098 -3.579 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -9.010 9.927 -5.853 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -7.846 10.855 -4.929 1.00 0.00 H new ATOM 580 N PHE A 42 -7.276 6.648 -4.542 1.00 0.00 N ATOM 581 CA PHE A 42 -7.298 5.240 -5.047 1.00 0.00 C ATOM 582 C PHE A 42 -7.584 5.223 -6.549 1.00 0.00 C ATOM 583 O PHE A 42 -7.987 4.218 -7.100 1.00 0.00 O ATOM 584 CB PHE A 42 -8.370 4.435 -4.310 1.00 0.00 C ATOM 585 CG PHE A 42 -8.181 4.591 -2.819 1.00 0.00 C ATOM 586 CD1 PHE A 42 -7.054 4.042 -2.194 1.00 0.00 C ATOM 587 CD2 PHE A 42 -9.131 5.287 -2.060 1.00 0.00 C ATOM 588 CE1 PHE A 42 -6.877 4.188 -0.813 1.00 0.00 C ATOM 589 CE2 PHE A 42 -8.954 5.432 -0.679 1.00 0.00 C ATOM 590 CZ PHE A 42 -7.827 4.883 -0.056 1.00 0.00 C ATOM 0 H PHE A 42 -6.414 6.918 -4.069 1.00 0.00 H new ATOM 0 HA PHE A 42 -6.323 4.789 -4.865 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -9.362 4.780 -4.600 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -8.305 3.383 -4.588 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -6.321 3.506 -2.778 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -10.000 5.712 -2.540 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -6.008 3.764 -0.332 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -9.687 5.968 -0.094 1.00 0.00 H new ATOM 0 HZ PHE A 42 -7.691 4.996 1.009 1.00 0.00 H new ATOM 600 N GLN A 43 -7.364 6.322 -7.219 1.00 0.00 N ATOM 601 CA GLN A 43 -7.608 6.357 -8.685 1.00 0.00 C ATOM 602 C GLN A 43 -6.428 5.685 -9.386 1.00 0.00 C ATOM 603 O GLN A 43 -5.284 6.011 -9.130 1.00 0.00 O ATOM 604 CB GLN A 43 -7.732 7.813 -9.154 1.00 0.00 C ATOM 605 CG GLN A 43 -7.915 7.858 -10.676 1.00 0.00 C ATOM 606 CD GLN A 43 -9.150 7.043 -11.074 1.00 0.00 C ATOM 607 OE1 GLN A 43 -9.035 5.909 -11.492 1.00 0.00 O ATOM 608 NE2 GLN A 43 -10.335 7.579 -10.959 1.00 0.00 N ATOM 0 H GLN A 43 -7.026 7.195 -6.813 1.00 0.00 H new ATOM 0 HA GLN A 43 -8.533 5.832 -8.925 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -8.579 8.291 -8.663 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -6.841 8.373 -8.869 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -8.027 8.890 -11.008 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -7.029 7.458 -11.170 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -10.432 8.532 -10.608 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -11.164 7.045 -11.220 1.00 0.00 H new ATOM 617 N GLN A 44 -6.694 4.745 -10.256 1.00 0.00 N ATOM 618 CA GLN A 44 -5.584 4.046 -10.969 1.00 0.00 C ATOM 619 C GLN A 44 -5.186 4.872 -12.193 1.00 0.00 C ATOM 620 O GLN A 44 -5.988 5.598 -12.747 1.00 0.00 O ATOM 621 CB GLN A 44 -6.026 2.639 -11.409 1.00 0.00 C ATOM 622 CG GLN A 44 -7.431 2.325 -10.878 1.00 0.00 C ATOM 623 CD GLN A 44 -7.694 0.820 -10.979 1.00 0.00 C ATOM 624 OE1 GLN A 44 -8.259 0.201 -9.979 1.00 0.00 O flip ATOM 625 NE2 GLN A 44 -7.383 0.201 -11.977 1.00 0.00 N flip ATOM 0 H GLN A 44 -7.633 4.431 -10.503 1.00 0.00 H new ATOM 0 HA GLN A 44 -4.733 3.942 -10.296 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -6.019 2.573 -12.497 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -5.318 1.897 -11.040 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -7.520 2.651 -9.842 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -8.178 2.874 -11.451 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -6.941 0.684 -12.760 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -7.564 -0.801 -12.032 1.00 0.00 H new ATOM 634 N PHE A 45 -3.950 4.781 -12.609 1.00 0.00 N ATOM 635 CA PHE A 45 -3.497 5.577 -13.784 1.00 0.00 C ATOM 636 C PHE A 45 -2.672 4.693 -14.732 1.00 0.00 C ATOM 637 O PHE A 45 -1.764 4.009 -14.300 1.00 0.00 O ATOM 638 CB PHE A 45 -2.637 6.738 -13.283 1.00 0.00 C ATOM 639 CG PHE A 45 -3.526 7.752 -12.606 1.00 0.00 C ATOM 640 CD1 PHE A 45 -4.161 8.737 -13.365 1.00 0.00 C ATOM 641 CD2 PHE A 45 -3.721 7.701 -11.220 1.00 0.00 C ATOM 642 CE1 PHE A 45 -4.990 9.678 -12.743 1.00 0.00 C ATOM 643 CE2 PHE A 45 -4.550 8.640 -10.596 1.00 0.00 C ATOM 644 CZ PHE A 45 -5.185 9.629 -11.357 1.00 0.00 C ATOM 0 H PHE A 45 -3.236 4.189 -12.185 1.00 0.00 H new ATOM 0 HA PHE A 45 -4.362 5.958 -14.327 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -1.882 6.374 -12.586 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -2.106 7.199 -14.115 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -4.012 8.773 -14.434 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -3.232 6.938 -10.633 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -5.479 10.441 -13.331 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -4.700 8.602 -9.527 1.00 0.00 H new ATOM 0 HZ PHE A 45 -5.825 10.354 -10.875 1.00 0.00 H new ATOM 654 N PRO A 46 -3.010 4.743 -16.005 1.00 0.00 N ATOM 655 CA PRO A 46 -2.306 3.958 -17.041 1.00 0.00 C ATOM 656 C PRO A 46 -0.847 4.408 -17.153 1.00 0.00 C ATOM 657 O PRO A 46 -0.057 3.813 -17.860 1.00 0.00 O ATOM 658 CB PRO A 46 -3.054 4.264 -18.344 1.00 0.00 C ATOM 659 CG PRO A 46 -4.168 5.292 -18.019 1.00 0.00 C ATOM 660 CD PRO A 46 -4.116 5.576 -16.510 1.00 0.00 C ATOM 0 HA PRO A 46 -2.294 2.893 -16.810 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -2.370 4.665 -19.092 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -3.484 3.353 -18.761 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -4.018 6.211 -18.586 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -5.145 4.899 -18.301 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -3.936 6.633 -16.313 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -5.058 5.317 -16.027 1.00 0.00 H new ATOM 668 N GLU A 47 -0.491 5.458 -16.463 1.00 0.00 N ATOM 669 CA GLU A 47 0.911 5.965 -16.517 1.00 0.00 C ATOM 670 C GLU A 47 1.885 4.830 -16.189 1.00 0.00 C ATOM 671 O GLU A 47 3.017 4.825 -16.632 1.00 0.00 O ATOM 672 CB GLU A 47 1.077 7.086 -15.489 1.00 0.00 C ATOM 673 CG GLU A 47 0.429 8.371 -16.014 1.00 0.00 C ATOM 674 CD GLU A 47 -0.079 9.209 -14.836 1.00 0.00 C ATOM 675 OE1 GLU A 47 0.729 9.560 -13.991 1.00 0.00 O ATOM 676 OE2 GLU A 47 -1.267 9.483 -14.798 1.00 0.00 O ATOM 0 H GLU A 47 -1.117 5.991 -15.859 1.00 0.00 H new ATOM 0 HA GLU A 47 1.123 6.343 -17.517 1.00 0.00 H new ATOM 0 HB2 GLU A 47 0.618 6.796 -14.544 1.00 0.00 H new ATOM 0 HB3 GLU A 47 2.135 7.256 -15.290 1.00 0.00 H new ATOM 0 HG2 GLU A 47 1.152 8.943 -16.596 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -0.397 8.127 -16.683 1.00 0.00 H new ATOM 683 N GLY A 48 1.454 3.872 -15.410 1.00 0.00 N ATOM 684 CA GLY A 48 2.354 2.738 -15.044 1.00 0.00 C ATOM 685 C GLY A 48 3.441 3.240 -14.092 1.00 0.00 C ATOM 686 O GLY A 48 4.304 2.494 -13.674 1.00 0.00 O ATOM 0 H GLY A 48 0.516 3.826 -15.011 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.780 1.942 -14.571 1.00 0.00 H new ATOM 0 HA3 GLY A 48 2.807 2.315 -15.940 1.00 0.00 H new ATOM 690 N LEU A 49 3.401 4.503 -13.749 1.00 0.00 N ATOM 691 CA LEU A 49 4.421 5.076 -12.823 1.00 0.00 C ATOM 692 C LEU A 49 4.086 6.544 -12.556 1.00 0.00 C ATOM 693 O LEU A 49 4.113 7.367 -13.452 1.00 0.00 O ATOM 694 CB LEU A 49 5.815 4.982 -13.458 1.00 0.00 C ATOM 695 CG LEU A 49 6.889 5.134 -12.373 1.00 0.00 C ATOM 696 CD1 LEU A 49 8.219 4.577 -12.889 1.00 0.00 C ATOM 697 CD2 LEU A 49 7.062 6.616 -12.019 1.00 0.00 C ATOM 0 H LEU A 49 2.698 5.166 -14.075 1.00 0.00 H new ATOM 0 HA LEU A 49 4.415 4.516 -11.888 1.00 0.00 H new ATOM 0 HB2 LEU A 49 5.930 4.024 -13.966 1.00 0.00 H new ATOM 0 HB3 LEU A 49 5.934 5.759 -14.213 1.00 0.00 H new ATOM 0 HG LEU A 49 6.582 4.583 -11.484 1.00 0.00 H new ATOM 0 HD11 LEU A 49 8.982 4.685 -12.118 1.00 0.00 H new ATOM 0 HD12 LEU A 49 8.100 3.522 -13.137 1.00 0.00 H new ATOM 0 HD13 LEU A 49 8.523 5.127 -13.780 1.00 0.00 H new ATOM 0 HD21 LEU A 49 7.826 6.719 -11.248 1.00 0.00 H new ATOM 0 HD22 LEU A 49 7.366 7.169 -12.908 1.00 0.00 H new ATOM 0 HD23 LEU A 49 6.117 7.014 -11.649 1.00 0.00 H new ATOM 709 N PHE A 50 3.777 6.880 -11.331 1.00 0.00 N ATOM 710 CA PHE A 50 3.448 8.300 -11.004 1.00 0.00 C ATOM 711 C PHE A 50 4.215 8.722 -9.743 1.00 0.00 C ATOM 712 O PHE A 50 5.424 8.611 -9.684 1.00 0.00 O ATOM 713 CB PHE A 50 1.930 8.455 -10.798 1.00 0.00 C ATOM 714 CG PHE A 50 1.378 7.427 -9.819 1.00 0.00 C ATOM 715 CD1 PHE A 50 2.222 6.716 -8.948 1.00 0.00 C ATOM 716 CD2 PHE A 50 -0.004 7.200 -9.779 1.00 0.00 C ATOM 717 CE1 PHE A 50 1.681 5.792 -8.048 1.00 0.00 C ATOM 718 CE2 PHE A 50 -0.540 6.273 -8.880 1.00 0.00 C ATOM 719 CZ PHE A 50 0.304 5.571 -8.013 1.00 0.00 C ATOM 0 H PHE A 50 3.738 6.233 -10.543 1.00 0.00 H new ATOM 0 HA PHE A 50 3.746 8.945 -11.830 1.00 0.00 H new ATOM 0 HB2 PHE A 50 1.715 9.458 -10.430 1.00 0.00 H new ATOM 0 HB3 PHE A 50 1.422 8.352 -11.757 1.00 0.00 H new ATOM 0 HD1 PHE A 50 3.289 6.883 -8.974 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -0.658 7.743 -10.445 1.00 0.00 H new ATOM 0 HE1 PHE A 50 2.331 5.248 -7.378 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -1.606 6.099 -8.855 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.111 4.858 -7.316 1.00 0.00 H new ATOM 729 N TYR A 51 3.529 9.193 -8.733 1.00 0.00 N ATOM 730 CA TYR A 51 4.231 9.605 -7.483 1.00 0.00 C ATOM 731 C TYR A 51 4.193 8.449 -6.474 1.00 0.00 C ATOM 732 O TYR A 51 3.868 8.623 -5.314 1.00 0.00 O ATOM 733 CB TYR A 51 3.552 10.846 -6.899 1.00 0.00 C ATOM 734 CG TYR A 51 4.486 12.026 -7.027 1.00 0.00 C ATOM 735 CD1 TYR A 51 5.651 12.081 -6.251 1.00 0.00 C ATOM 736 CD2 TYR A 51 4.190 13.063 -7.919 1.00 0.00 C ATOM 737 CE1 TYR A 51 6.518 13.172 -6.367 1.00 0.00 C ATOM 738 CE2 TYR A 51 5.059 14.155 -8.036 1.00 0.00 C ATOM 739 CZ TYR A 51 6.222 14.210 -7.260 1.00 0.00 C ATOM 740 OH TYR A 51 7.077 15.286 -7.373 1.00 0.00 O ATOM 0 H TYR A 51 2.516 9.309 -8.721 1.00 0.00 H new ATOM 0 HA TYR A 51 5.270 9.847 -7.705 1.00 0.00 H new ATOM 0 HB2 TYR A 51 2.618 11.046 -7.425 1.00 0.00 H new ATOM 0 HB3 TYR A 51 3.299 10.679 -5.852 1.00 0.00 H new ATOM 0 HD1 TYR A 51 5.880 11.281 -5.563 1.00 0.00 H new ATOM 0 HD2 TYR A 51 3.292 13.021 -8.517 1.00 0.00 H new ATOM 0 HE1 TYR A 51 7.416 13.214 -5.768 1.00 0.00 H new ATOM 0 HE2 TYR A 51 4.831 14.955 -8.725 1.00 0.00 H new ATOM 0 HH TYR A 51 6.985 15.685 -8.263 1.00 0.00 H new ATOM 750 N GLU A 52 4.535 7.268 -6.917 1.00 0.00 N ATOM 751 CA GLU A 52 4.542 6.088 -6.016 1.00 0.00 C ATOM 752 C GLU A 52 5.579 6.302 -4.908 1.00 0.00 C ATOM 753 O GLU A 52 6.464 7.127 -5.036 1.00 0.00 O ATOM 754 CB GLU A 52 4.909 4.854 -6.841 1.00 0.00 C ATOM 755 CG GLU A 52 4.171 3.640 -6.298 1.00 0.00 C ATOM 756 CD GLU A 52 5.076 2.414 -6.396 1.00 0.00 C ATOM 757 OE1 GLU A 52 5.091 1.797 -7.449 1.00 0.00 O ATOM 758 OE2 GLU A 52 5.745 2.116 -5.421 1.00 0.00 O ATOM 0 H GLU A 52 4.813 7.073 -7.879 1.00 0.00 H new ATOM 0 HA GLU A 52 3.561 5.951 -5.561 1.00 0.00 H new ATOM 0 HB2 GLU A 52 4.648 5.013 -7.887 1.00 0.00 H new ATOM 0 HB3 GLU A 52 5.985 4.685 -6.803 1.00 0.00 H new ATOM 0 HG2 GLU A 52 3.881 3.810 -5.261 1.00 0.00 H new ATOM 0 HG3 GLU A 52 3.253 3.475 -6.863 1.00 0.00 H new ATOM 765 N PHE A 53 5.481 5.577 -3.820 1.00 0.00 N ATOM 766 CA PHE A 53 6.476 5.770 -2.718 1.00 0.00 C ATOM 767 C PHE A 53 6.587 4.506 -1.860 1.00 0.00 C ATOM 768 O PHE A 53 5.882 3.536 -2.059 1.00 0.00 O ATOM 769 CB PHE A 53 6.040 6.949 -1.839 1.00 0.00 C ATOM 770 CG PHE A 53 6.977 8.117 -2.054 1.00 0.00 C ATOM 771 CD1 PHE A 53 8.248 8.109 -1.467 1.00 0.00 C ATOM 772 CD2 PHE A 53 6.576 9.206 -2.838 1.00 0.00 C ATOM 773 CE1 PHE A 53 9.118 9.188 -1.663 1.00 0.00 C ATOM 774 CE2 PHE A 53 7.446 10.286 -3.034 1.00 0.00 C ATOM 775 CZ PHE A 53 8.716 10.276 -2.447 1.00 0.00 C ATOM 0 H PHE A 53 4.766 4.870 -3.648 1.00 0.00 H new ATOM 0 HA PHE A 53 7.451 5.976 -3.160 1.00 0.00 H new ATOM 0 HB2 PHE A 53 5.018 7.240 -2.084 1.00 0.00 H new ATOM 0 HB3 PHE A 53 6.045 6.654 -0.790 1.00 0.00 H new ATOM 0 HD1 PHE A 53 8.558 7.269 -0.862 1.00 0.00 H new ATOM 0 HD2 PHE A 53 5.596 9.213 -3.291 1.00 0.00 H new ATOM 0 HE1 PHE A 53 10.098 9.181 -1.210 1.00 0.00 H new ATOM 0 HE2 PHE A 53 7.137 11.126 -3.638 1.00 0.00 H new ATOM 0 HZ PHE A 53 9.387 11.109 -2.599 1.00 0.00 H new ATOM 785 N GLU A 54 7.486 4.519 -0.905 1.00 0.00 N ATOM 786 CA GLU A 54 7.680 3.334 -0.019 1.00 0.00 C ATOM 787 C GLU A 54 6.488 3.194 0.925 1.00 0.00 C ATOM 788 O GLU A 54 6.193 4.079 1.704 1.00 0.00 O ATOM 789 CB GLU A 54 8.962 3.516 0.800 1.00 0.00 C ATOM 790 CG GLU A 54 10.184 3.364 -0.113 1.00 0.00 C ATOM 791 CD GLU A 54 10.293 4.582 -1.038 1.00 0.00 C ATOM 792 OE1 GLU A 54 10.556 5.662 -0.535 1.00 0.00 O ATOM 793 OE2 GLU A 54 10.110 4.413 -2.231 1.00 0.00 O ATOM 0 H GLU A 54 8.098 5.309 -0.702 1.00 0.00 H new ATOM 0 HA GLU A 54 7.761 2.435 -0.631 1.00 0.00 H new ATOM 0 HB2 GLU A 54 8.968 4.499 1.271 1.00 0.00 H new ATOM 0 HB3 GLU A 54 9.001 2.778 1.602 1.00 0.00 H new ATOM 0 HG2 GLU A 54 11.089 3.269 0.487 1.00 0.00 H new ATOM 0 HG3 GLU A 54 10.097 2.453 -0.705 1.00 0.00 H new ATOM 800 N GLY A 55 5.799 2.084 0.858 1.00 0.00 N ATOM 801 CA GLY A 55 4.619 1.878 1.747 1.00 0.00 C ATOM 802 C GLY A 55 3.551 2.924 1.426 1.00 0.00 C ATOM 803 O GLY A 55 2.574 3.067 2.135 1.00 0.00 O ATOM 0 H GLY A 55 6.004 1.311 0.225 1.00 0.00 H new ATOM 0 HA2 GLY A 55 4.215 0.875 1.607 1.00 0.00 H new ATOM 0 HA3 GLY A 55 4.919 1.958 2.792 1.00 0.00 H new ATOM 807 N ARG A 56 3.736 3.660 0.360 1.00 0.00 N ATOM 808 CA ARG A 56 2.744 4.704 -0.021 1.00 0.00 C ATOM 809 C ARG A 56 2.569 4.709 -1.540 1.00 0.00 C ATOM 810 O ARG A 56 3.233 3.982 -2.255 1.00 0.00 O ATOM 811 CB ARG A 56 3.246 6.077 0.436 1.00 0.00 C ATOM 812 CG ARG A 56 3.432 6.083 1.956 1.00 0.00 C ATOM 813 CD ARG A 56 4.083 7.400 2.390 1.00 0.00 C ATOM 814 NE ARG A 56 5.342 7.121 3.156 1.00 0.00 N ATOM 815 CZ ARG A 56 5.377 6.222 4.110 1.00 0.00 C ATOM 816 NH1 ARG A 56 4.289 5.612 4.490 1.00 0.00 N ATOM 817 NH2 ARG A 56 6.507 5.957 4.704 1.00 0.00 N ATOM 0 H ARG A 56 4.538 3.580 -0.265 1.00 0.00 H new ATOM 0 HA ARG A 56 1.788 4.488 0.457 1.00 0.00 H new ATOM 0 HB2 ARG A 56 4.190 6.311 -0.056 1.00 0.00 H new ATOM 0 HB3 ARG A 56 2.535 6.850 0.145 1.00 0.00 H new ATOM 0 HG2 ARG A 56 2.468 5.962 2.451 1.00 0.00 H new ATOM 0 HG3 ARG A 56 4.054 5.241 2.260 1.00 0.00 H new ATOM 0 HD2 ARG A 56 4.307 8.010 1.515 1.00 0.00 H new ATOM 0 HD3 ARG A 56 3.390 7.971 3.008 1.00 0.00 H new ATOM 0 HE ARG A 56 6.189 7.642 2.930 1.00 0.00 H new ATOM 0 HH11 ARG A 56 3.398 5.832 4.044 1.00 0.00 H new ATOM 0 HH12 ARG A 56 4.328 4.914 5.233 1.00 0.00 H new ATOM 0 HH21 ARG A 56 7.357 6.448 4.426 1.00 0.00 H new ATOM 0 HH22 ARG A 56 6.541 5.259 5.447 1.00 0.00 H new ATOM 831 N LYS A 57 1.677 5.523 -2.036 1.00 0.00 N ATOM 832 CA LYS A 57 1.446 5.580 -3.507 1.00 0.00 C ATOM 833 C LYS A 57 0.551 6.776 -3.824 1.00 0.00 C ATOM 834 O LYS A 57 -0.514 6.926 -3.260 1.00 0.00 O ATOM 835 CB LYS A 57 0.753 4.291 -3.962 1.00 0.00 C ATOM 836 CG LYS A 57 -0.504 4.064 -3.115 1.00 0.00 C ATOM 837 CD LYS A 57 -0.846 2.574 -3.082 1.00 0.00 C ATOM 838 CE LYS A 57 -1.736 2.227 -4.275 1.00 0.00 C ATOM 839 NZ LYS A 57 -2.515 0.996 -3.964 1.00 0.00 N ATOM 0 H LYS A 57 1.096 6.153 -1.483 1.00 0.00 H new ATOM 0 HA LYS A 57 2.398 5.684 -4.027 1.00 0.00 H new ATOM 0 HB2 LYS A 57 0.487 4.361 -5.017 1.00 0.00 H new ATOM 0 HB3 LYS A 57 1.432 3.444 -3.860 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.342 4.431 -2.102 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -1.339 4.629 -3.529 1.00 0.00 H new ATOM 0 HD2 LYS A 57 0.067 1.980 -3.112 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -1.356 2.328 -2.151 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -2.412 3.054 -4.492 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -1.127 2.071 -5.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -2.365 0.292 -4.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -2.198 0.605 -3.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -3.527 1.231 -3.906 1.00 0.00 H new ATOM 853 N TYR A 58 0.969 7.634 -4.715 1.00 0.00 N ATOM 854 CA TYR A 58 0.128 8.818 -5.054 1.00 0.00 C ATOM 855 C TYR A 58 0.252 9.139 -6.535 1.00 0.00 C ATOM 856 O TYR A 58 1.275 8.914 -7.150 1.00 0.00 O ATOM 857 CB TYR A 58 0.598 10.039 -4.261 1.00 0.00 C ATOM 858 CG TYR A 58 0.800 9.669 -2.815 1.00 0.00 C ATOM 859 CD1 TYR A 58 -0.303 9.512 -1.970 1.00 0.00 C ATOM 860 CD2 TYR A 58 2.098 9.499 -2.316 1.00 0.00 C ATOM 861 CE1 TYR A 58 -0.109 9.183 -0.623 1.00 0.00 C ATOM 862 CE2 TYR A 58 2.293 9.175 -0.973 1.00 0.00 C ATOM 863 CZ TYR A 58 1.190 9.016 -0.124 1.00 0.00 C ATOM 864 OH TYR A 58 1.381 8.698 1.205 1.00 0.00 O ATOM 0 H TYR A 58 1.852 7.567 -5.221 1.00 0.00 H new ATOM 0 HA TYR A 58 -0.907 8.584 -4.806 1.00 0.00 H new ATOM 0 HB2 TYR A 58 1.529 10.419 -4.681 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -0.138 10.839 -4.341 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -1.303 9.644 -2.356 1.00 0.00 H new ATOM 0 HD2 TYR A 58 2.948 9.619 -2.971 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -0.959 9.058 0.031 1.00 0.00 H new ATOM 0 HE2 TYR A 58 3.294 9.047 -0.588 1.00 0.00 H new ATOM 0 HH TYR A 58 0.617 8.178 1.530 1.00 0.00 H new ATOM 874 N CYS A 59 -0.778 9.698 -7.098 1.00 0.00 N ATOM 875 CA CYS A 59 -0.735 10.083 -8.528 1.00 0.00 C ATOM 876 C CYS A 59 -0.452 11.580 -8.595 1.00 0.00 C ATOM 877 O CYS A 59 -0.297 12.231 -7.579 1.00 0.00 O ATOM 878 CB CYS A 59 -2.084 9.779 -9.182 1.00 0.00 C ATOM 879 SG CYS A 59 -3.424 10.285 -8.072 1.00 0.00 S ATOM 0 H CYS A 59 -1.656 9.906 -6.622 1.00 0.00 H new ATOM 0 HA CYS A 59 0.039 9.525 -9.055 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -2.166 10.307 -10.132 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -2.162 8.714 -9.401 1.00 0.00 H new ATOM 884 N GLU A 60 -0.393 12.141 -9.768 1.00 0.00 N ATOM 885 CA GLU A 60 -0.133 13.602 -9.870 1.00 0.00 C ATOM 886 C GLU A 60 -1.358 14.363 -9.348 1.00 0.00 C ATOM 887 O GLU A 60 -1.467 15.557 -9.507 1.00 0.00 O ATOM 888 CB GLU A 60 0.121 13.974 -11.336 1.00 0.00 C ATOM 889 CG GLU A 60 1.045 15.196 -11.408 1.00 0.00 C ATOM 890 CD GLU A 60 2.489 14.735 -11.630 1.00 0.00 C ATOM 891 OE1 GLU A 60 3.116 14.335 -10.663 1.00 0.00 O ATOM 892 OE2 GLU A 60 2.939 14.788 -12.762 1.00 0.00 O ATOM 0 H GLU A 60 -0.513 11.655 -10.656 1.00 0.00 H new ATOM 0 HA GLU A 60 0.743 13.866 -9.277 1.00 0.00 H new ATOM 0 HB2 GLU A 60 0.573 13.133 -11.861 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -0.824 14.191 -11.835 1.00 0.00 H new ATOM 0 HG2 GLU A 60 0.733 15.853 -12.220 1.00 0.00 H new ATOM 0 HG3 GLU A 60 0.974 15.773 -10.486 1.00 0.00 H new ATOM 899 N HIS A 61 -2.286 13.677 -8.732 1.00 0.00 N ATOM 900 CA HIS A 61 -3.504 14.366 -8.212 1.00 0.00 C ATOM 901 C HIS A 61 -3.218 14.964 -6.826 1.00 0.00 C ATOM 902 O HIS A 61 -3.058 16.160 -6.685 1.00 0.00 O ATOM 903 CB HIS A 61 -4.668 13.352 -8.159 1.00 0.00 C ATOM 904 CG HIS A 61 -5.413 13.445 -6.849 1.00 0.00 C ATOM 905 ND1 HIS A 61 -5.520 12.370 -5.969 1.00 0.00 N ATOM 906 CD2 HIS A 61 -6.089 14.482 -6.255 1.00 0.00 C ATOM 907 CE1 HIS A 61 -6.235 12.790 -4.911 1.00 0.00 C ATOM 908 NE2 HIS A 61 -6.605 14.066 -5.033 1.00 0.00 N ATOM 0 H HIS A 61 -2.253 12.671 -8.567 1.00 0.00 H new ATOM 0 HA HIS A 61 -3.784 15.186 -8.874 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -5.354 13.539 -8.985 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -4.280 12.342 -8.289 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -6.203 15.471 -6.674 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -6.481 12.168 -4.063 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -7.150 14.618 -4.371 1.00 0.00 H new ATOM 916 N ASP A 62 -3.158 14.154 -5.805 1.00 0.00 N ATOM 917 CA ASP A 62 -2.890 14.699 -4.443 1.00 0.00 C ATOM 918 C ASP A 62 -1.529 15.383 -4.435 1.00 0.00 C ATOM 919 O ASP A 62 -1.302 16.340 -3.720 1.00 0.00 O ATOM 920 CB ASP A 62 -2.876 13.555 -3.423 1.00 0.00 C ATOM 921 CG ASP A 62 -4.003 13.762 -2.408 1.00 0.00 C ATOM 922 OD1 ASP A 62 -3.912 14.704 -1.637 1.00 0.00 O ATOM 923 OD2 ASP A 62 -4.932 12.975 -2.413 1.00 0.00 O ATOM 0 H ASP A 62 -3.282 13.143 -5.854 1.00 0.00 H new ATOM 0 HA ASP A 62 -3.670 15.414 -4.181 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -3.001 12.599 -3.931 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -1.914 13.521 -2.912 1.00 0.00 H new ATOM 928 N PHE A 63 -0.618 14.877 -5.214 1.00 0.00 N ATOM 929 CA PHE A 63 0.746 15.452 -5.249 1.00 0.00 C ATOM 930 C PHE A 63 0.789 16.767 -6.033 1.00 0.00 C ATOM 931 O PHE A 63 1.504 17.676 -5.650 1.00 0.00 O ATOM 932 CB PHE A 63 1.685 14.409 -5.832 1.00 0.00 C ATOM 933 CG PHE A 63 2.320 13.688 -4.672 1.00 0.00 C ATOM 934 CD1 PHE A 63 1.512 13.043 -3.729 1.00 0.00 C ATOM 935 CD2 PHE A 63 3.702 13.682 -4.526 1.00 0.00 C ATOM 936 CE1 PHE A 63 2.093 12.389 -2.641 1.00 0.00 C ATOM 937 CE2 PHE A 63 4.286 13.024 -3.438 1.00 0.00 C ATOM 938 CZ PHE A 63 3.482 12.377 -2.496 1.00 0.00 C ATOM 0 H PHE A 63 -0.765 14.080 -5.834 1.00 0.00 H new ATOM 0 HA PHE A 63 1.065 15.703 -4.237 1.00 0.00 H new ATOM 0 HB2 PHE A 63 1.139 13.711 -6.467 1.00 0.00 H new ATOM 0 HB3 PHE A 63 2.445 14.880 -6.455 1.00 0.00 H new ATOM 0 HD1 PHE A 63 0.438 13.051 -3.843 1.00 0.00 H new ATOM 0 HD2 PHE A 63 4.324 14.185 -5.251 1.00 0.00 H new ATOM 0 HE1 PHE A 63 1.469 11.893 -1.912 1.00 0.00 H new ATOM 0 HE2 PHE A 63 5.360 13.016 -3.326 1.00 0.00 H new ATOM 0 HZ PHE A 63 3.934 11.868 -1.657 1.00 0.00 H new ATOM 948 N GLN A 64 0.035 16.923 -7.098 1.00 0.00 N ATOM 949 CA GLN A 64 0.089 18.239 -7.807 1.00 0.00 C ATOM 950 C GLN A 64 -0.537 19.290 -6.892 1.00 0.00 C ATOM 951 O GLN A 64 -0.221 20.461 -6.961 1.00 0.00 O ATOM 952 CB GLN A 64 -0.656 18.194 -9.146 1.00 0.00 C ATOM 953 CG GLN A 64 -2.173 18.187 -8.916 1.00 0.00 C ATOM 954 CD GLN A 64 -2.721 19.610 -9.061 1.00 0.00 C ATOM 955 OE1 GLN A 64 -3.108 20.227 -8.088 1.00 0.00 O ATOM 956 NE2 GLN A 64 -2.771 20.160 -10.242 1.00 0.00 N ATOM 0 H GLN A 64 -0.593 16.223 -7.494 1.00 0.00 H new ATOM 0 HA GLN A 64 1.127 18.485 -8.029 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -0.378 19.056 -9.753 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -0.362 17.304 -9.703 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -2.657 17.525 -9.634 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -2.399 17.799 -7.923 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -2.447 19.643 -11.059 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -3.135 21.107 -10.349 1.00 0.00 H new ATOM 965 N MET A 65 -1.403 18.860 -6.011 1.00 0.00 N ATOM 966 CA MET A 65 -2.035 19.807 -5.054 1.00 0.00 C ATOM 967 C MET A 65 -0.931 20.332 -4.142 1.00 0.00 C ATOM 968 O MET A 65 -0.859 21.509 -3.845 1.00 0.00 O ATOM 969 CB MET A 65 -3.098 19.078 -4.223 1.00 0.00 C ATOM 970 CG MET A 65 -4.493 19.421 -4.753 1.00 0.00 C ATOM 971 SD MET A 65 -4.803 18.500 -6.280 1.00 0.00 S ATOM 972 CE MET A 65 -6.061 19.607 -6.964 1.00 0.00 C ATOM 0 H MET A 65 -1.699 17.888 -5.916 1.00 0.00 H new ATOM 0 HA MET A 65 -2.521 20.626 -5.584 1.00 0.00 H new ATOM 0 HB2 MET A 65 -2.935 18.001 -4.271 1.00 0.00 H new ATOM 0 HB3 MET A 65 -3.015 19.367 -3.175 1.00 0.00 H new ATOM 0 HG2 MET A 65 -5.248 19.173 -4.007 1.00 0.00 H new ATOM 0 HG3 MET A 65 -4.569 20.492 -4.940 1.00 0.00 H new ATOM 0 HE1 MET A 65 -6.400 19.222 -7.926 1.00 0.00 H new ATOM 0 HE2 MET A 65 -6.906 19.665 -6.278 1.00 0.00 H new ATOM 0 HE3 MET A 65 -5.635 20.601 -7.101 1.00 0.00 H new ATOM 982 N LEU A 66 -0.045 19.460 -3.727 1.00 0.00 N ATOM 983 CA LEU A 66 1.090 19.900 -2.866 1.00 0.00 C ATOM 984 C LEU A 66 2.010 20.758 -3.732 1.00 0.00 C ATOM 985 O LEU A 66 2.818 21.525 -3.244 1.00 0.00 O ATOM 986 CB LEU A 66 1.880 18.684 -2.359 1.00 0.00 C ATOM 987 CG LEU A 66 0.929 17.523 -2.060 1.00 0.00 C ATOM 988 CD1 LEU A 66 1.718 16.360 -1.454 1.00 0.00 C ATOM 989 CD2 LEU A 66 -0.153 17.975 -1.072 1.00 0.00 C ATOM 0 H LEU A 66 -0.061 18.464 -3.948 1.00 0.00 H new ATOM 0 HA LEU A 66 0.715 20.454 -2.006 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.613 18.380 -3.106 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.434 18.951 -1.459 1.00 0.00 H new ATOM 0 HG LEU A 66 0.456 17.201 -2.987 1.00 0.00 H new ATOM 0 HD11 LEU A 66 1.041 15.533 -1.241 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.481 16.032 -2.159 1.00 0.00 H new ATOM 0 HD13 LEU A 66 2.195 16.686 -0.530 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -0.826 17.143 -0.864 1.00 0.00 H new ATOM 0 HD22 LEU A 66 0.316 18.303 -0.144 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.719 18.800 -1.504 1.00 0.00 H new ATOM 1001 N PHE A 67 1.880 20.613 -5.027 1.00 0.00 N ATOM 1002 CA PHE A 67 2.719 21.389 -5.981 1.00 0.00 C ATOM 1003 C PHE A 67 4.175 20.921 -5.875 1.00 0.00 C ATOM 1004 O PHE A 67 5.094 21.715 -5.790 1.00 0.00 O ATOM 1005 CB PHE A 67 2.617 22.889 -5.666 1.00 0.00 C ATOM 1006 CG PHE A 67 2.552 23.674 -6.956 1.00 0.00 C ATOM 1007 CD1 PHE A 67 3.723 23.930 -7.681 1.00 0.00 C ATOM 1008 CD2 PHE A 67 1.321 24.146 -7.427 1.00 0.00 C ATOM 1009 CE1 PHE A 67 3.661 24.658 -8.875 1.00 0.00 C ATOM 1010 CE2 PHE A 67 1.260 24.872 -8.622 1.00 0.00 C ATOM 1011 CZ PHE A 67 2.430 25.128 -9.346 1.00 0.00 C ATOM 0 H PHE A 67 1.215 19.977 -5.467 1.00 0.00 H new ATOM 0 HA PHE A 67 2.364 21.222 -6.998 1.00 0.00 H new ATOM 0 HB2 PHE A 67 1.730 23.085 -5.064 1.00 0.00 H new ATOM 0 HB3 PHE A 67 3.478 23.207 -5.078 1.00 0.00 H new ATOM 0 HD1 PHE A 67 4.673 23.566 -7.319 1.00 0.00 H new ATOM 0 HD2 PHE A 67 0.418 23.950 -6.868 1.00 0.00 H new ATOM 0 HE1 PHE A 67 4.564 24.857 -9.433 1.00 0.00 H new ATOM 0 HE2 PHE A 67 0.310 25.235 -8.985 1.00 0.00 H new ATOM 0 HZ PHE A 67 2.383 25.688 -10.268 1.00 0.00 H new ATOM 1021 N ALA A 68 4.390 19.630 -5.880 1.00 0.00 N ATOM 1022 CA ALA A 68 5.779 19.097 -5.781 1.00 0.00 C ATOM 1023 C ALA A 68 6.561 19.472 -7.050 1.00 0.00 C ATOM 1024 O ALA A 68 6.138 19.154 -8.143 1.00 0.00 O ATOM 1025 CB ALA A 68 5.728 17.573 -5.644 1.00 0.00 C ATOM 0 H ALA A 68 3.660 18.921 -5.949 1.00 0.00 H new ATOM 0 HA ALA A 68 6.274 19.525 -4.909 1.00 0.00 H new ATOM 0 HB1 ALA A 68 6.742 17.180 -5.571 1.00 0.00 H new ATOM 0 HB2 ALA A 68 5.171 17.307 -4.746 1.00 0.00 H new ATOM 0 HB3 ALA A 68 5.235 17.146 -6.517 1.00 0.00 H new ATOM 1031 N PRO A 69 7.680 20.140 -6.868 1.00 0.00 N ATOM 1032 CA PRO A 69 8.532 20.566 -7.998 1.00 0.00 C ATOM 1033 C PRO A 69 9.080 19.347 -8.749 1.00 0.00 C ATOM 1034 O PRO A 69 9.629 19.469 -9.827 1.00 0.00 O ATOM 1035 CB PRO A 69 9.678 21.358 -7.351 1.00 0.00 C ATOM 1036 CG PRO A 69 9.472 21.313 -5.814 1.00 0.00 C ATOM 1037 CD PRO A 69 8.182 20.526 -5.537 1.00 0.00 C ATOM 0 HA PRO A 69 7.980 21.160 -8.726 1.00 0.00 H new ATOM 0 HB2 PRO A 69 10.642 20.926 -7.621 1.00 0.00 H new ATOM 0 HB3 PRO A 69 9.680 22.388 -7.707 1.00 0.00 H new ATOM 0 HG2 PRO A 69 10.323 20.835 -5.328 1.00 0.00 H new ATOM 0 HG3 PRO A 69 9.399 22.322 -5.409 1.00 0.00 H new ATOM 0 HD2 PRO A 69 8.379 19.650 -4.920 1.00 0.00 H new ATOM 0 HD3 PRO A 69 7.454 21.136 -5.002 1.00 0.00 H new ATOM 1045 N CYS A 70 8.933 18.176 -8.183 1.00 0.00 N ATOM 1046 CA CYS A 70 9.442 16.937 -8.849 1.00 0.00 C ATOM 1047 C CYS A 70 10.958 17.054 -9.077 1.00 0.00 C ATOM 1048 O CYS A 70 11.460 16.388 -9.969 1.00 0.00 O ATOM 1049 CB CYS A 70 8.726 16.742 -10.193 1.00 0.00 C ATOM 1050 SG CYS A 70 6.953 17.042 -9.983 1.00 0.00 S ATOM 0 H CYS A 70 8.479 18.023 -7.282 1.00 0.00 H new ATOM 0 HA CYS A 70 9.244 16.077 -8.209 1.00 0.00 H new ATOM 0 HB2 CYS A 70 9.135 17.425 -10.937 1.00 0.00 H new ATOM 0 HB3 CYS A 70 8.893 15.730 -10.563 1.00 0.00 H new ATOM 0 HG CYS A 70 6.773 18.198 -9.416 1.00 0.00 H new TER 1056 CYS A 70 HETATM 1057 ZN ZN A 998 -2.429 -4.953 -11.109 1.00 0.00 ZN HETATM 1058 ZN ZN A 999 -4.787 10.521 -6.232 1.00 0.00 ZN