USER MOD reduce.3.24.130724 H: found=0, std=0, add=489, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 486 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 34 HIS HD1 : A 34 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD Set 1.1: A 19 CYS SG : rot 64:sc= 0.299 USER MOD Set 1.2: A 35 SER OG : rot 146:sc= 1.34 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 25:sc= 0.675 USER MOD Single : A 3 SER OG : rot 36:sc= 0.277 USER MOD Single : A 5 SER OG : rot 37:sc= 0.332 USER MOD Single : A 6 SER OG : rot 180:sc=-0.00928 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= -2.67! C(o=-2.7!,f=-4.9!) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 MET CE :methyl -166:sc= 0 (180deg=-0.117) USER MOD Single : A 38 GLN : amide:sc= -0.711 X(o=-0.71,f=-0.25) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ -161:sc= -0.0479 (180deg=-0.355) USER MOD Single : A 45 SER OG : rot 71:sc= 0.0989 USER MOD Single : A 48 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 50 ASN : amide:sc= -0.0785 X(o=-0.078,f=-0.078) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 MET CE :methyl 152:sc= -0.277 (180deg=-1.04) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= -0.0257 X(o=-0.026,f=-0.026) USER MOD Single : A 64 SER OG : rot 51:sc= 0.898 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 32:sc= 0.551 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -39.115 7.978 -1.697 1.00 0.00 N ATOM 2 CA GLY A 1 -38.151 8.752 -2.458 1.00 0.00 C ATOM 3 C GLY A 1 -36.882 7.976 -2.747 1.00 0.00 C ATOM 4 O GLY A 1 -36.344 7.304 -1.867 1.00 0.00 O ATOM 0 H1 GLY A 1 -39.964 8.553 -1.526 1.00 0.00 H new ATOM 0 H2 GLY A 1 -39.376 7.126 -2.233 1.00 0.00 H new ATOM 0 H3 GLY A 1 -38.696 7.700 -0.787 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -38.603 9.066 -3.399 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -37.901 9.658 -1.907 1.00 0.00 H new ATOM 8 N SER A 2 -36.402 8.066 -3.983 1.00 0.00 N ATOM 9 CA SER A 2 -35.191 7.362 -4.387 1.00 0.00 C ATOM 10 C SER A 2 -34.639 7.934 -5.689 1.00 0.00 C ATOM 11 O SER A 2 -35.280 7.855 -6.736 1.00 0.00 O ATOM 12 CB SER A 2 -35.476 5.868 -4.553 1.00 0.00 C ATOM 13 OG SER A 2 -36.395 5.638 -5.606 1.00 0.00 O ATOM 0 H SER A 2 -36.834 8.620 -4.723 1.00 0.00 H new ATOM 0 HA SER A 2 -34.443 7.497 -3.605 1.00 0.00 H new ATOM 0 HB2 SER A 2 -34.546 5.338 -4.756 1.00 0.00 H new ATOM 0 HB3 SER A 2 -35.876 5.465 -3.622 1.00 0.00 H new ATOM 0 HG SER A 2 -36.350 6.378 -6.247 1.00 0.00 H new ATOM 19 N SER A 3 -33.443 8.510 -5.615 1.00 0.00 N ATOM 20 CA SER A 3 -32.805 9.099 -6.786 1.00 0.00 C ATOM 21 C SER A 3 -31.298 8.858 -6.762 1.00 0.00 C ATOM 22 O SER A 3 -30.623 9.174 -5.783 1.00 0.00 O ATOM 23 CB SER A 3 -33.091 10.601 -6.848 1.00 0.00 C ATOM 24 OG SER A 3 -32.540 11.272 -5.729 1.00 0.00 O ATOM 0 H SER A 3 -32.897 8.581 -4.756 1.00 0.00 H new ATOM 0 HA SER A 3 -33.219 8.621 -7.674 1.00 0.00 H new ATOM 0 HB2 SER A 3 -32.675 11.016 -7.766 1.00 0.00 H new ATOM 0 HB3 SER A 3 -34.168 10.768 -6.882 1.00 0.00 H new ATOM 0 HG SER A 3 -31.690 10.851 -5.481 1.00 0.00 H new ATOM 30 N GLY A 4 -30.778 8.296 -7.849 1.00 0.00 N ATOM 31 CA GLY A 4 -29.355 8.021 -7.933 1.00 0.00 C ATOM 32 C GLY A 4 -29.063 6.639 -8.481 1.00 0.00 C ATOM 33 O GLY A 4 -29.447 5.633 -7.884 1.00 0.00 O ATOM 0 H GLY A 4 -31.316 8.026 -8.672 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -28.881 8.768 -8.569 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -28.910 8.117 -6.942 1.00 0.00 H new ATOM 37 N SER A 5 -28.382 6.587 -9.621 1.00 0.00 N ATOM 38 CA SER A 5 -28.044 5.317 -10.253 1.00 0.00 C ATOM 39 C SER A 5 -26.538 5.204 -10.472 1.00 0.00 C ATOM 40 O SER A 5 -25.935 6.031 -11.156 1.00 0.00 O ATOM 41 CB SER A 5 -28.777 5.176 -11.588 1.00 0.00 C ATOM 42 OG SER A 5 -28.510 6.281 -12.435 1.00 0.00 O ATOM 0 H SER A 5 -28.053 7.410 -10.126 1.00 0.00 H new ATOM 0 HA SER A 5 -28.359 4.513 -9.588 1.00 0.00 H new ATOM 0 HB2 SER A 5 -28.469 4.254 -12.080 1.00 0.00 H new ATOM 0 HB3 SER A 5 -29.850 5.100 -11.411 1.00 0.00 H new ATOM 0 HG SER A 5 -27.580 6.566 -12.318 1.00 0.00 H new ATOM 48 N SER A 6 -25.937 4.174 -9.885 1.00 0.00 N ATOM 49 CA SER A 6 -24.501 3.953 -10.012 1.00 0.00 C ATOM 50 C SER A 6 -24.210 2.831 -11.004 1.00 0.00 C ATOM 51 O SER A 6 -25.043 1.955 -11.231 1.00 0.00 O ATOM 52 CB SER A 6 -23.893 3.614 -8.650 1.00 0.00 C ATOM 53 OG SER A 6 -22.505 3.355 -8.761 1.00 0.00 O ATOM 0 H SER A 6 -26.422 3.479 -9.317 1.00 0.00 H new ATOM 0 HA SER A 6 -24.049 4.872 -10.385 1.00 0.00 H new ATOM 0 HB2 SER A 6 -24.058 4.441 -7.959 1.00 0.00 H new ATOM 0 HB3 SER A 6 -24.396 2.743 -8.230 1.00 0.00 H new ATOM 0 HG SER A 6 -22.140 3.143 -7.877 1.00 0.00 H new ATOM 59 N GLY A 7 -23.018 2.866 -11.594 1.00 0.00 N ATOM 60 CA GLY A 7 -22.637 1.848 -12.556 1.00 0.00 C ATOM 61 C GLY A 7 -21.174 1.937 -12.945 1.00 0.00 C ATOM 62 O GLY A 7 -20.781 2.820 -13.707 1.00 0.00 O ATOM 0 H GLY A 7 -22.310 3.581 -11.423 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -22.839 0.862 -12.137 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -23.254 1.947 -13.449 1.00 0.00 H new ATOM 66 N ARG A 8 -20.367 1.022 -12.418 1.00 0.00 N ATOM 67 CA ARG A 8 -18.939 1.003 -12.713 1.00 0.00 C ATOM 68 C ARG A 8 -18.347 -0.378 -12.445 1.00 0.00 C ATOM 69 O ARG A 8 -18.951 -1.201 -11.757 1.00 0.00 O ATOM 70 CB ARG A 8 -18.210 2.054 -11.874 1.00 0.00 C ATOM 71 CG ARG A 8 -18.698 3.473 -12.116 1.00 0.00 C ATOM 72 CD ARG A 8 -17.724 4.500 -11.559 1.00 0.00 C ATOM 73 NE ARG A 8 -17.841 5.788 -12.236 1.00 0.00 N ATOM 74 CZ ARG A 8 -16.902 6.727 -12.196 1.00 0.00 C ATOM 75 NH1 ARG A 8 -15.783 6.522 -11.515 1.00 0.00 N ATOM 76 NH2 ARG A 8 -17.082 7.874 -12.838 1.00 0.00 N ATOM 0 H ARG A 8 -20.677 0.285 -11.785 1.00 0.00 H new ATOM 0 HA ARG A 8 -18.808 1.237 -13.770 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -18.332 1.812 -10.818 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -17.143 2.004 -12.091 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -18.829 3.637 -13.186 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -19.675 3.607 -11.652 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -17.908 4.633 -10.493 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -16.705 4.127 -11.663 1.00 0.00 H new ATOM 0 HE ARG A 8 -18.690 5.977 -12.769 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -15.641 5.641 -11.020 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -15.064 7.245 -11.486 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -17.942 8.035 -13.363 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -16.361 8.595 -12.807 1.00 0.00 H new ATOM 90 N VAL A 9 -17.162 -0.625 -12.994 1.00 0.00 N ATOM 91 CA VAL A 9 -16.488 -1.905 -12.815 1.00 0.00 C ATOM 92 C VAL A 9 -16.256 -2.201 -11.337 1.00 0.00 C ATOM 93 O VAL A 9 -16.056 -1.290 -10.534 1.00 0.00 O ATOM 94 CB VAL A 9 -15.136 -1.935 -13.552 1.00 0.00 C ATOM 95 CG1 VAL A 9 -15.348 -1.905 -15.058 1.00 0.00 C ATOM 96 CG2 VAL A 9 -14.260 -0.775 -13.105 1.00 0.00 C ATOM 0 H VAL A 9 -16.649 0.045 -13.567 1.00 0.00 H new ATOM 0 HA VAL A 9 -17.140 -2.669 -13.238 1.00 0.00 H new ATOM 0 HB VAL A 9 -14.625 -2.864 -13.300 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -14.382 -1.927 -15.562 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -15.935 -2.773 -15.360 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -15.880 -0.994 -15.332 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -13.309 -0.812 -13.636 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -14.763 0.167 -13.326 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -14.080 -0.847 -12.032 1.00 0.00 H new ATOM 106 N LYS A 10 -16.282 -3.482 -10.985 1.00 0.00 N ATOM 107 CA LYS A 10 -16.073 -3.901 -9.604 1.00 0.00 C ATOM 108 C LYS A 10 -14.731 -4.609 -9.448 1.00 0.00 C ATOM 109 O LYS A 10 -14.675 -5.832 -9.330 1.00 0.00 O ATOM 110 CB LYS A 10 -17.206 -4.826 -9.153 1.00 0.00 C ATOM 111 CG LYS A 10 -17.646 -5.813 -10.220 1.00 0.00 C ATOM 112 CD LYS A 10 -18.774 -5.250 -11.069 1.00 0.00 C ATOM 113 CE LYS A 10 -20.134 -5.541 -10.453 1.00 0.00 C ATOM 114 NZ LYS A 10 -21.194 -5.680 -11.490 1.00 0.00 N ATOM 0 H LYS A 10 -16.446 -4.249 -11.638 1.00 0.00 H new ATOM 0 HA LYS A 10 -16.069 -3.010 -8.976 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -16.884 -5.378 -8.270 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -18.062 -4.220 -8.855 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -16.798 -6.062 -10.858 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -17.972 -6.740 -9.748 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -18.646 -4.173 -11.178 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -18.727 -5.680 -12.070 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -20.078 -6.457 -9.866 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -20.401 -4.738 -9.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -22.106 -5.878 -11.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -21.265 -4.797 -12.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -20.952 -6.463 -12.131 1.00 0.00 H new ATOM 128 N GLN A 11 -13.654 -3.831 -9.447 1.00 0.00 N ATOM 129 CA GLN A 11 -12.312 -4.385 -9.304 1.00 0.00 C ATOM 130 C GLN A 11 -12.092 -4.921 -7.893 1.00 0.00 C ATOM 131 O GLN A 11 -11.067 -5.541 -7.606 1.00 0.00 O ATOM 132 CB GLN A 11 -11.261 -3.321 -9.628 1.00 0.00 C ATOM 133 CG GLN A 11 -9.847 -3.871 -9.715 1.00 0.00 C ATOM 134 CD GLN A 11 -9.150 -3.905 -8.369 1.00 0.00 C ATOM 135 OE1 GLN A 11 -9.586 -3.261 -7.415 1.00 0.00 O ATOM 136 NE2 GLN A 11 -8.061 -4.660 -8.285 1.00 0.00 N ATOM 0 H GLN A 11 -13.684 -2.816 -9.543 1.00 0.00 H new ATOM 0 HA GLN A 11 -12.210 -5.212 -10.007 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -11.516 -2.846 -10.575 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -11.294 -2.545 -8.863 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -9.878 -4.879 -10.129 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -9.266 -3.260 -10.406 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -7.735 -5.177 -9.101 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -7.551 -4.723 -7.404 1.00 0.00 H new ATOM 145 N LEU A 12 -13.060 -4.678 -7.016 1.00 0.00 N ATOM 146 CA LEU A 12 -12.972 -5.136 -5.634 1.00 0.00 C ATOM 147 C LEU A 12 -13.505 -6.559 -5.497 1.00 0.00 C ATOM 148 O LEU A 12 -14.181 -6.889 -4.522 1.00 0.00 O ATOM 149 CB LEU A 12 -13.752 -4.196 -4.713 1.00 0.00 C ATOM 150 CG LEU A 12 -13.074 -2.866 -4.381 1.00 0.00 C ATOM 151 CD1 LEU A 12 -14.094 -1.861 -3.868 1.00 0.00 C ATOM 152 CD2 LEU A 12 -11.966 -3.074 -3.359 1.00 0.00 C ATOM 0 H LEU A 12 -13.914 -4.167 -7.237 1.00 0.00 H new ATOM 0 HA LEU A 12 -11.922 -5.131 -5.342 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -14.716 -3.984 -5.176 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -13.955 -4.720 -3.779 1.00 0.00 H new ATOM 0 HG LEU A 12 -12.630 -2.468 -5.293 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -13.594 -0.921 -3.637 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -14.853 -1.690 -4.632 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -14.568 -2.251 -2.967 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -11.494 -2.117 -3.134 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -12.387 -3.494 -2.446 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -11.222 -3.760 -3.764 1.00 0.00 H new ATOM 164 N THR A 13 -13.194 -7.399 -6.479 1.00 0.00 N ATOM 165 CA THR A 13 -13.641 -8.786 -6.468 1.00 0.00 C ATOM 166 C THR A 13 -13.081 -9.534 -5.264 1.00 0.00 C ATOM 167 O THR A 13 -13.811 -10.234 -4.562 1.00 0.00 O ATOM 168 CB THR A 13 -13.222 -9.521 -7.755 1.00 0.00 C ATOM 169 OG1 THR A 13 -13.740 -8.837 -8.901 1.00 0.00 O ATOM 170 CG2 THR A 13 -13.723 -10.958 -7.746 1.00 0.00 C ATOM 0 H THR A 13 -12.634 -7.143 -7.292 1.00 0.00 H new ATOM 0 HA THR A 13 -14.729 -8.767 -6.407 1.00 0.00 H new ATOM 0 HB THR A 13 -12.133 -9.533 -7.801 1.00 0.00 H new ATOM 0 HG1 THR A 13 -13.468 -9.310 -9.715 1.00 0.00 H new ATOM 0 HG21 THR A 13 -13.415 -11.457 -8.665 1.00 0.00 H new ATOM 0 HG22 THR A 13 -13.303 -11.484 -6.889 1.00 0.00 H new ATOM 0 HG23 THR A 13 -14.811 -10.964 -7.678 1.00 0.00 H new ATOM 178 N ASP A 14 -11.782 -9.382 -5.030 1.00 0.00 N ATOM 179 CA ASP A 14 -11.125 -10.042 -3.908 1.00 0.00 C ATOM 180 C ASP A 14 -11.650 -9.508 -2.579 1.00 0.00 C ATOM 181 O ASP A 14 -12.096 -8.364 -2.493 1.00 0.00 O ATOM 182 CB ASP A 14 -9.610 -9.844 -3.989 1.00 0.00 C ATOM 183 CG ASP A 14 -9.232 -8.455 -4.462 1.00 0.00 C ATOM 184 OD1 ASP A 14 -9.226 -7.525 -3.629 1.00 0.00 O ATOM 185 OD2 ASP A 14 -8.943 -8.297 -5.667 1.00 0.00 O ATOM 0 H ASP A 14 -11.163 -8.808 -5.602 1.00 0.00 H new ATOM 0 HA ASP A 14 -11.348 -11.107 -3.964 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -9.170 -10.023 -3.008 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -9.186 -10.584 -4.668 1.00 0.00 H new ATOM 190 N GLU A 15 -11.594 -10.344 -1.547 1.00 0.00 N ATOM 191 CA GLU A 15 -12.066 -9.955 -0.224 1.00 0.00 C ATOM 192 C GLU A 15 -10.901 -9.819 0.752 1.00 0.00 C ATOM 193 O GLU A 15 -11.000 -10.214 1.913 1.00 0.00 O ATOM 194 CB GLU A 15 -13.071 -10.981 0.306 1.00 0.00 C ATOM 195 CG GLU A 15 -14.291 -11.154 -0.584 1.00 0.00 C ATOM 196 CD GLU A 15 -15.378 -10.139 -0.286 1.00 0.00 C ATOM 197 OE1 GLU A 15 -15.755 -10.005 0.897 1.00 0.00 O ATOM 198 OE2 GLU A 15 -15.851 -9.480 -1.235 1.00 0.00 O ATOM 0 H GLU A 15 -11.227 -11.294 -1.602 1.00 0.00 H new ATOM 0 HA GLU A 15 -12.558 -8.987 -0.313 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -12.572 -11.944 0.415 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -13.397 -10.677 1.301 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -13.991 -11.063 -1.628 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -14.692 -12.159 -0.454 1.00 0.00 H new ATOM 205 N GLU A 16 -9.796 -9.257 0.270 1.00 0.00 N ATOM 206 CA GLU A 16 -8.611 -9.070 1.098 1.00 0.00 C ATOM 207 C GLU A 16 -8.785 -7.877 2.034 1.00 0.00 C ATOM 208 O GLU A 16 -9.784 -7.163 1.966 1.00 0.00 O ATOM 209 CB GLU A 16 -7.375 -8.868 0.220 1.00 0.00 C ATOM 210 CG GLU A 16 -6.743 -10.167 -0.250 1.00 0.00 C ATOM 211 CD GLU A 16 -5.994 -10.885 0.856 1.00 0.00 C ATOM 212 OE1 GLU A 16 -6.652 -11.548 1.684 1.00 0.00 O ATOM 213 OE2 GLU A 16 -4.750 -10.784 0.893 1.00 0.00 O ATOM 0 H GLU A 16 -9.698 -8.924 -0.689 1.00 0.00 H new ATOM 0 HA GLU A 16 -8.475 -9.967 1.702 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -7.651 -8.273 -0.650 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -6.634 -8.294 0.777 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -7.520 -10.823 -0.643 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -6.057 -9.957 -1.071 1.00 0.00 H new ATOM 220 N GLU A 17 -7.804 -7.670 2.908 1.00 0.00 N ATOM 221 CA GLU A 17 -7.849 -6.565 3.858 1.00 0.00 C ATOM 222 C GLU A 17 -6.445 -6.050 4.161 1.00 0.00 C ATOM 223 O GLU A 17 -5.457 -6.762 3.976 1.00 0.00 O ATOM 224 CB GLU A 17 -8.532 -7.006 5.154 1.00 0.00 C ATOM 225 CG GLU A 17 -7.846 -8.177 5.837 1.00 0.00 C ATOM 226 CD GLU A 17 -8.617 -8.685 7.040 1.00 0.00 C ATOM 227 OE1 GLU A 17 -9.314 -7.874 7.684 1.00 0.00 O ATOM 228 OE2 GLU A 17 -8.523 -9.895 7.336 1.00 0.00 O ATOM 0 H GLU A 17 -6.970 -8.253 2.977 1.00 0.00 H new ATOM 0 HA GLU A 17 -8.425 -5.756 3.408 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -8.563 -6.162 5.843 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -9.565 -7.278 4.936 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -7.722 -8.989 5.120 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -6.847 -7.875 6.152 1.00 0.00 H new ATOM 235 N CYS A 18 -6.364 -4.808 4.626 1.00 0.00 N ATOM 236 CA CYS A 18 -5.082 -4.196 4.953 1.00 0.00 C ATOM 237 C CYS A 18 -4.257 -5.110 5.854 1.00 0.00 C ATOM 238 O CYS A 18 -4.794 -6.007 6.505 1.00 0.00 O ATOM 239 CB CYS A 18 -5.299 -2.846 5.640 1.00 0.00 C ATOM 240 SG CYS A 18 -3.793 -1.831 5.778 1.00 0.00 S ATOM 0 H CYS A 18 -7.172 -4.205 4.785 1.00 0.00 H new ATOM 0 HA CYS A 18 -4.534 -4.040 4.024 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -6.052 -2.286 5.086 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -5.700 -3.019 6.639 1.00 0.00 H new ATOM 245 N CYS A 19 -2.950 -4.876 5.886 1.00 0.00 N ATOM 246 CA CYS A 19 -2.049 -5.678 6.707 1.00 0.00 C ATOM 247 C CYS A 19 -1.549 -4.879 7.906 1.00 0.00 C ATOM 248 O CYS A 19 -1.163 -5.449 8.926 1.00 0.00 O ATOM 249 CB CYS A 19 -0.864 -6.165 5.873 1.00 0.00 C ATOM 250 SG CYS A 19 -1.233 -7.595 4.830 1.00 0.00 S ATOM 0 H CYS A 19 -2.490 -4.138 5.353 1.00 0.00 H new ATOM 0 HA CYS A 19 -2.604 -6.541 7.075 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -0.518 -5.347 5.241 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -0.042 -6.420 6.543 1.00 0.00 H new ATOM 0 HG CYS A 19 -2.132 -7.269 3.949 1.00 0.00 H new ATOM 256 N ILE A 20 -1.557 -3.557 7.774 1.00 0.00 N ATOM 257 CA ILE A 20 -1.104 -2.680 8.846 1.00 0.00 C ATOM 258 C ILE A 20 -2.181 -2.513 9.913 1.00 0.00 C ATOM 259 O ILE A 20 -2.018 -2.957 11.050 1.00 0.00 O ATOM 260 CB ILE A 20 -0.710 -1.291 8.309 1.00 0.00 C ATOM 261 CG1 ILE A 20 0.466 -1.411 7.337 1.00 0.00 C ATOM 262 CG2 ILE A 20 -0.360 -0.358 9.459 1.00 0.00 C ATOM 263 CD1 ILE A 20 0.838 -0.102 6.675 1.00 0.00 C ATOM 0 H ILE A 20 -1.872 -3.070 6.935 1.00 0.00 H new ATOM 0 HA ILE A 20 -0.227 -3.152 9.289 1.00 0.00 H new ATOM 0 HB ILE A 20 -1.560 -0.871 7.772 1.00 0.00 H new ATOM 0 HG12 ILE A 20 1.333 -1.797 7.874 1.00 0.00 H new ATOM 0 HG13 ILE A 20 0.217 -2.141 6.567 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -0.084 0.619 9.063 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -1.222 -0.252 10.117 1.00 0.00 H new ATOM 0 HG23 ILE A 20 0.477 -0.772 10.021 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.679 -0.262 6.000 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -0.015 0.275 6.110 1.00 0.00 H new ATOM 0 HD13 ILE A 20 1.118 0.625 7.438 1.00 0.00 H new ATOM 275 N CYS A 21 -3.283 -1.872 9.538 1.00 0.00 N ATOM 276 CA CYS A 21 -4.389 -1.648 10.461 1.00 0.00 C ATOM 277 C CYS A 21 -5.258 -2.896 10.582 1.00 0.00 C ATOM 278 O CYS A 21 -5.875 -3.136 11.619 1.00 0.00 O ATOM 279 CB CYS A 21 -5.239 -0.465 9.993 1.00 0.00 C ATOM 280 SG CYS A 21 -5.981 -0.688 8.345 1.00 0.00 S ATOM 0 H CYS A 21 -3.434 -1.498 8.601 1.00 0.00 H new ATOM 0 HA CYS A 21 -3.971 -1.422 11.442 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -6.035 -0.294 10.718 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -4.620 0.432 9.982 1.00 0.00 H new ATOM 285 N MET A 22 -5.300 -3.687 9.515 1.00 0.00 N ATOM 286 CA MET A 22 -6.092 -4.911 9.503 1.00 0.00 C ATOM 287 C MET A 22 -7.506 -4.650 10.014 1.00 0.00 C ATOM 288 O MET A 22 -8.045 -5.428 10.800 1.00 0.00 O ATOM 289 CB MET A 22 -5.420 -5.988 10.356 1.00 0.00 C ATOM 290 CG MET A 22 -4.000 -6.311 9.920 1.00 0.00 C ATOM 291 SD MET A 22 -3.534 -8.015 10.278 1.00 0.00 S ATOM 292 CE MET A 22 -4.029 -8.828 8.761 1.00 0.00 C ATOM 0 H MET A 22 -4.795 -3.502 8.648 1.00 0.00 H new ATOM 0 HA MET A 22 -6.156 -5.261 8.473 1.00 0.00 H new ATOM 0 HB2 MET A 22 -5.406 -5.660 11.396 1.00 0.00 H new ATOM 0 HB3 MET A 22 -6.019 -6.898 10.316 1.00 0.00 H new ATOM 0 HG2 MET A 22 -3.903 -6.129 8.850 1.00 0.00 H new ATOM 0 HG3 MET A 22 -3.307 -5.636 10.423 1.00 0.00 H new ATOM 0 HE1 MET A 22 -4.040 -9.907 8.913 1.00 0.00 H new ATOM 0 HE2 MET A 22 -5.026 -8.492 8.477 1.00 0.00 H new ATOM 0 HE3 MET A 22 -3.323 -8.580 7.968 1.00 0.00 H new ATOM 302 N ASP A 23 -8.099 -3.550 9.562 1.00 0.00 N ATOM 303 CA ASP A 23 -9.450 -3.187 9.974 1.00 0.00 C ATOM 304 C ASP A 23 -10.380 -3.100 8.768 1.00 0.00 C ATOM 305 O ASP A 23 -11.380 -3.812 8.689 1.00 0.00 O ATOM 306 CB ASP A 23 -9.437 -1.853 10.721 1.00 0.00 C ATOM 307 CG ASP A 23 -10.832 -1.312 10.966 1.00 0.00 C ATOM 308 OD1 ASP A 23 -11.358 -0.607 10.080 1.00 0.00 O ATOM 309 OD2 ASP A 23 -11.398 -1.594 12.043 1.00 0.00 O ATOM 0 H ASP A 23 -7.666 -2.895 8.911 1.00 0.00 H new ATOM 0 HA ASP A 23 -9.821 -3.964 10.642 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -8.927 -1.980 11.676 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -8.864 -1.125 10.148 1.00 0.00 H new ATOM 314 N GLY A 24 -10.044 -2.219 7.830 1.00 0.00 N ATOM 315 CA GLY A 24 -10.860 -2.054 6.641 1.00 0.00 C ATOM 316 C GLY A 24 -10.662 -3.176 5.641 1.00 0.00 C ATOM 317 O GLY A 24 -10.743 -4.352 5.994 1.00 0.00 O ATOM 0 H GLY A 24 -9.222 -1.617 7.872 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -11.910 -2.009 6.929 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -10.618 -1.103 6.167 1.00 0.00 H new ATOM 321 N ARG A 25 -10.403 -2.812 4.389 1.00 0.00 N ATOM 322 CA ARG A 25 -10.196 -3.797 3.334 1.00 0.00 C ATOM 323 C ARG A 25 -8.847 -3.588 2.653 1.00 0.00 C ATOM 324 O ARG A 25 -8.056 -2.740 3.066 1.00 0.00 O ATOM 325 CB ARG A 25 -11.320 -3.713 2.301 1.00 0.00 C ATOM 326 CG ARG A 25 -12.696 -4.012 2.872 1.00 0.00 C ATOM 327 CD ARG A 25 -13.801 -3.516 1.953 1.00 0.00 C ATOM 328 NE ARG A 25 -14.073 -4.455 0.867 1.00 0.00 N ATOM 329 CZ ARG A 25 -15.056 -4.297 -0.012 1.00 0.00 C ATOM 330 NH1 ARG A 25 -15.857 -3.243 0.066 1.00 0.00 N ATOM 331 NH2 ARG A 25 -15.240 -5.195 -0.972 1.00 0.00 N ATOM 0 H ARG A 25 -10.332 -1.842 4.081 1.00 0.00 H new ATOM 0 HA ARG A 25 -10.204 -4.787 3.789 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -11.326 -2.714 1.864 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -11.112 -4.413 1.492 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -12.802 -5.086 3.024 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -12.796 -3.541 3.850 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -14.711 -3.358 2.532 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -13.518 -2.550 1.535 1.00 0.00 H new ATOM 0 HE ARG A 25 -13.475 -5.277 0.779 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -15.719 -2.551 0.802 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -16.611 -3.124 -0.611 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -14.626 -6.007 -1.035 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -15.995 -5.073 -1.647 1.00 0.00 H new ATOM 345 N ALA A 26 -8.591 -4.367 1.607 1.00 0.00 N ATOM 346 CA ALA A 26 -7.339 -4.266 0.867 1.00 0.00 C ATOM 347 C ALA A 26 -7.554 -3.600 -0.488 1.00 0.00 C ATOM 348 O ALA A 26 -7.981 -4.244 -1.446 1.00 0.00 O ATOM 349 CB ALA A 26 -6.720 -5.644 0.687 1.00 0.00 C ATOM 0 H ALA A 26 -9.234 -5.075 1.253 1.00 0.00 H new ATOM 0 HA ALA A 26 -6.654 -3.644 1.444 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -5.786 -5.554 0.133 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -6.521 -6.084 1.664 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -7.409 -6.283 0.135 1.00 0.00 H new ATOM 355 N ASP A 27 -7.257 -2.307 -0.560 1.00 0.00 N ATOM 356 CA ASP A 27 -7.418 -1.554 -1.799 1.00 0.00 C ATOM 357 C ASP A 27 -6.451 -2.054 -2.868 1.00 0.00 C ATOM 358 O ASP A 27 -6.834 -2.250 -4.023 1.00 0.00 O ATOM 359 CB ASP A 27 -7.191 -0.063 -1.546 1.00 0.00 C ATOM 360 CG ASP A 27 -7.134 0.740 -2.831 1.00 0.00 C ATOM 361 OD1 ASP A 27 -6.125 0.623 -3.558 1.00 0.00 O ATOM 362 OD2 ASP A 27 -8.096 1.485 -3.109 1.00 0.00 O ATOM 0 H ASP A 27 -6.904 -1.759 0.224 1.00 0.00 H new ATOM 0 HA ASP A 27 -8.436 -1.704 -2.157 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -7.993 0.322 -0.916 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -6.260 0.072 -0.995 1.00 0.00 H new ATOM 367 N LEU A 28 -5.198 -2.258 -2.477 1.00 0.00 N ATOM 368 CA LEU A 28 -4.176 -2.734 -3.402 1.00 0.00 C ATOM 369 C LEU A 28 -3.306 -3.803 -2.749 1.00 0.00 C ATOM 370 O LEU A 28 -2.986 -3.717 -1.563 1.00 0.00 O ATOM 371 CB LEU A 28 -3.304 -1.569 -3.874 1.00 0.00 C ATOM 372 CG LEU A 28 -2.455 -0.888 -2.800 1.00 0.00 C ATOM 373 CD1 LEU A 28 -1.180 -1.678 -2.548 1.00 0.00 C ATOM 374 CD2 LEU A 28 -2.128 0.541 -3.206 1.00 0.00 C ATOM 0 H LEU A 28 -4.865 -2.101 -1.526 1.00 0.00 H new ATOM 0 HA LEU A 28 -4.678 -3.176 -4.263 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -2.639 -1.933 -4.657 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -3.951 -0.818 -4.328 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.029 -0.859 -1.874 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.588 -1.179 -1.781 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.435 -2.683 -2.212 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -0.602 -1.739 -3.470 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.523 1.010 -2.430 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.573 0.535 -4.144 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.053 1.103 -3.335 1.00 0.00 H new ATOM 386 N ILE A 29 -2.925 -4.808 -3.531 1.00 0.00 N ATOM 387 CA ILE A 29 -2.089 -5.891 -3.029 1.00 0.00 C ATOM 388 C ILE A 29 -0.706 -5.860 -3.669 1.00 0.00 C ATOM 389 O ILE A 29 -0.556 -5.484 -4.833 1.00 0.00 O ATOM 390 CB ILE A 29 -2.732 -7.266 -3.291 1.00 0.00 C ATOM 391 CG1 ILE A 29 -4.117 -7.337 -2.644 1.00 0.00 C ATOM 392 CG2 ILE A 29 -1.838 -8.378 -2.765 1.00 0.00 C ATOM 393 CD1 ILE A 29 -5.078 -8.251 -3.373 1.00 0.00 C ATOM 0 H ILE A 29 -3.182 -4.894 -4.514 1.00 0.00 H new ATOM 0 HA ILE A 29 -1.993 -5.742 -1.953 1.00 0.00 H new ATOM 0 HB ILE A 29 -2.847 -7.398 -4.367 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -4.011 -7.680 -1.615 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -4.542 -6.334 -2.603 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -2.306 -9.343 -2.958 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -0.872 -8.337 -3.268 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -1.694 -8.252 -1.692 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -6.039 -8.253 -2.859 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -5.213 -7.896 -4.395 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -4.674 -9.263 -3.391 1.00 0.00 H new ATOM 405 N LEU A 30 0.304 -6.258 -2.903 1.00 0.00 N ATOM 406 CA LEU A 30 1.677 -6.277 -3.395 1.00 0.00 C ATOM 407 C LEU A 30 2.107 -7.696 -3.753 1.00 0.00 C ATOM 408 O LEU A 30 1.556 -8.681 -3.261 1.00 0.00 O ATOM 409 CB LEU A 30 2.624 -5.695 -2.344 1.00 0.00 C ATOM 410 CG LEU A 30 2.652 -4.170 -2.237 1.00 0.00 C ATOM 411 CD1 LEU A 30 3.441 -3.735 -1.012 1.00 0.00 C ATOM 412 CD2 LEU A 30 3.242 -3.557 -3.499 1.00 0.00 C ATOM 0 H LEU A 30 0.198 -6.572 -1.938 1.00 0.00 H new ATOM 0 HA LEU A 30 1.723 -5.665 -4.296 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.349 -6.103 -1.371 1.00 0.00 H new ATOM 0 HB3 LEU A 30 3.634 -6.043 -2.562 1.00 0.00 H new ATOM 0 HG LEU A 30 1.627 -3.814 -2.129 1.00 0.00 H new ATOM 0 HD11 LEU A 30 3.450 -2.647 -0.953 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.975 -4.144 -0.115 1.00 0.00 H new ATOM 0 HD13 LEU A 30 4.464 -4.103 -1.089 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.254 -2.471 -3.405 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.260 -3.920 -3.638 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.635 -3.840 -4.359 1.00 0.00 H new ATOM 424 N PRO A 31 3.117 -7.805 -4.629 1.00 0.00 N ATOM 425 CA PRO A 31 3.645 -9.099 -5.071 1.00 0.00 C ATOM 426 C PRO A 31 4.399 -9.827 -3.962 1.00 0.00 C ATOM 427 O PRO A 31 4.912 -10.927 -4.165 1.00 0.00 O ATOM 428 CB PRO A 31 4.598 -8.724 -6.208 1.00 0.00 C ATOM 429 CG PRO A 31 5.008 -7.323 -5.912 1.00 0.00 C ATOM 430 CD PRO A 31 3.821 -6.674 -5.256 1.00 0.00 C ATOM 0 HA PRO A 31 2.850 -9.782 -5.371 1.00 0.00 H new ATOM 0 HB2 PRO A 31 5.460 -9.391 -6.238 1.00 0.00 H new ATOM 0 HB3 PRO A 31 4.105 -8.796 -7.178 1.00 0.00 H new ATOM 0 HG2 PRO A 31 5.877 -7.301 -5.255 1.00 0.00 H new ATOM 0 HG3 PRO A 31 5.286 -6.796 -6.825 1.00 0.00 H new ATOM 0 HD2 PRO A 31 4.126 -5.932 -4.518 1.00 0.00 H new ATOM 0 HD3 PRO A 31 3.191 -6.161 -5.983 1.00 0.00 H new ATOM 438 N CYS A 32 4.461 -9.205 -2.789 1.00 0.00 N ATOM 439 CA CYS A 32 5.151 -9.793 -1.648 1.00 0.00 C ATOM 440 C CYS A 32 4.164 -10.154 -0.542 1.00 0.00 C ATOM 441 O CYS A 32 4.544 -10.303 0.619 1.00 0.00 O ATOM 442 CB CYS A 32 6.206 -8.824 -1.109 1.00 0.00 C ATOM 443 SG CYS A 32 5.583 -7.138 -0.811 1.00 0.00 S ATOM 0 H CYS A 32 4.041 -8.294 -2.604 1.00 0.00 H new ATOM 0 HA CYS A 32 5.643 -10.706 -1.984 1.00 0.00 H new ATOM 0 HB2 CYS A 32 6.607 -9.222 -0.177 1.00 0.00 H new ATOM 0 HB3 CYS A 32 7.034 -8.774 -1.816 1.00 0.00 H new ATOM 448 N ALA A 33 2.895 -10.293 -0.911 1.00 0.00 N ATOM 449 CA ALA A 33 1.854 -10.639 0.048 1.00 0.00 C ATOM 450 C ALA A 33 1.661 -9.527 1.074 1.00 0.00 C ATOM 451 O ALA A 33 1.709 -9.766 2.281 1.00 0.00 O ATOM 452 CB ALA A 33 2.191 -11.949 0.745 1.00 0.00 C ATOM 0 H ALA A 33 2.563 -10.171 -1.868 1.00 0.00 H new ATOM 0 HA ALA A 33 0.919 -10.761 -0.498 1.00 0.00 H new ATOM 0 HB1 ALA A 33 1.404 -12.194 1.458 1.00 0.00 H new ATOM 0 HB2 ALA A 33 2.271 -12.745 0.005 1.00 0.00 H new ATOM 0 HB3 ALA A 33 3.140 -11.847 1.272 1.00 0.00 H new ATOM 458 N HIS A 34 1.444 -8.309 0.586 1.00 0.00 N ATOM 459 CA HIS A 34 1.244 -7.160 1.461 1.00 0.00 C ATOM 460 C HIS A 34 0.215 -6.200 0.871 1.00 0.00 C ATOM 461 O HIS A 34 0.408 -5.660 -0.218 1.00 0.00 O ATOM 462 CB HIS A 34 2.567 -6.429 1.689 1.00 0.00 C ATOM 463 CG HIS A 34 3.518 -7.175 2.575 1.00 0.00 C ATOM 464 ND1 HIS A 34 4.888 -7.069 2.466 1.00 0.00 N ATOM 465 CD2 HIS A 34 3.288 -8.039 3.591 1.00 0.00 C ATOM 466 CE1 HIS A 34 5.460 -7.838 3.375 1.00 0.00 C ATOM 467 NE2 HIS A 34 4.511 -8.437 4.072 1.00 0.00 N ATOM 0 H HIS A 34 1.402 -8.093 -0.410 1.00 0.00 H new ATOM 0 HA HIS A 34 0.869 -7.525 2.417 1.00 0.00 H new ATOM 0 HB2 HIS A 34 3.045 -6.250 0.726 1.00 0.00 H new ATOM 0 HB3 HIS A 34 2.362 -5.453 2.129 1.00 0.00 H new ATOM 0 HD2 HIS A 34 2.322 -8.356 3.956 1.00 0.00 H new ATOM 0 HE1 HIS A 34 6.523 -7.957 3.523 1.00 0.00 H new ATOM 0 HE2 HIS A 34 4.662 -9.089 4.842 1.00 0.00 H new ATOM 475 N SER A 35 -0.879 -5.993 1.597 1.00 0.00 N ATOM 476 CA SER A 35 -1.941 -5.102 1.143 1.00 0.00 C ATOM 477 C SER A 35 -1.969 -3.823 1.974 1.00 0.00 C ATOM 478 O SER A 35 -1.383 -3.758 3.055 1.00 0.00 O ATOM 479 CB SER A 35 -3.296 -5.807 1.225 1.00 0.00 C ATOM 480 OG SER A 35 -3.489 -6.396 2.499 1.00 0.00 O ATOM 0 H SER A 35 -1.053 -6.430 2.502 1.00 0.00 H new ATOM 0 HA SER A 35 -1.740 -4.836 0.105 1.00 0.00 H new ATOM 0 HB2 SER A 35 -4.094 -5.091 1.027 1.00 0.00 H new ATOM 0 HB3 SER A 35 -3.357 -6.574 0.453 1.00 0.00 H new ATOM 0 HG SER A 35 -4.436 -6.342 2.744 1.00 0.00 H new ATOM 486 N PHE A 36 -2.654 -2.806 1.461 1.00 0.00 N ATOM 487 CA PHE A 36 -2.758 -1.527 2.154 1.00 0.00 C ATOM 488 C PHE A 36 -4.058 -0.816 1.788 1.00 0.00 C ATOM 489 O PHE A 36 -4.372 -0.638 0.611 1.00 0.00 O ATOM 490 CB PHE A 36 -1.562 -0.638 1.810 1.00 0.00 C ATOM 491 CG PHE A 36 -0.238 -1.332 1.951 1.00 0.00 C ATOM 492 CD1 PHE A 36 0.117 -2.357 1.089 1.00 0.00 C ATOM 493 CD2 PHE A 36 0.651 -0.961 2.947 1.00 0.00 C ATOM 494 CE1 PHE A 36 1.335 -2.998 1.216 1.00 0.00 C ATOM 495 CE2 PHE A 36 1.871 -1.598 3.079 1.00 0.00 C ATOM 496 CZ PHE A 36 2.213 -2.619 2.213 1.00 0.00 C ATOM 0 H PHE A 36 -3.145 -2.843 0.568 1.00 0.00 H new ATOM 0 HA PHE A 36 -2.760 -1.721 3.227 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -1.668 -0.280 0.786 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -1.574 0.239 2.457 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.566 -2.659 0.309 1.00 0.00 H new ATOM 0 HD2 PHE A 36 0.388 -0.165 3.628 1.00 0.00 H new ATOM 0 HE1 PHE A 36 1.600 -3.794 0.536 1.00 0.00 H new ATOM 0 HE2 PHE A 36 2.556 -1.298 3.858 1.00 0.00 H new ATOM 0 HZ PHE A 36 3.165 -3.120 2.315 1.00 0.00 H new ATOM 506 N CYS A 37 -4.810 -0.411 2.806 1.00 0.00 N ATOM 507 CA CYS A 37 -6.076 0.281 2.595 1.00 0.00 C ATOM 508 C CYS A 37 -5.841 1.739 2.212 1.00 0.00 C ATOM 509 O CYS A 37 -4.765 2.287 2.447 1.00 0.00 O ATOM 510 CB CYS A 37 -6.939 0.205 3.855 1.00 0.00 C ATOM 511 SG CYS A 37 -6.251 1.106 5.282 1.00 0.00 S ATOM 0 H CYS A 37 -4.564 -0.550 3.786 1.00 0.00 H new ATOM 0 HA CYS A 37 -6.599 -0.212 1.775 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -7.928 0.603 3.630 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -7.072 -0.842 4.129 1.00 0.00 H new ATOM 516 N GLN A 38 -6.857 2.360 1.620 1.00 0.00 N ATOM 517 CA GLN A 38 -6.761 3.755 1.204 1.00 0.00 C ATOM 518 C GLN A 38 -6.305 4.638 2.361 1.00 0.00 C ATOM 519 O GLN A 38 -5.477 5.532 2.185 1.00 0.00 O ATOM 520 CB GLN A 38 -8.110 4.244 0.674 1.00 0.00 C ATOM 521 CG GLN A 38 -8.155 5.742 0.418 1.00 0.00 C ATOM 522 CD GLN A 38 -7.243 6.167 -0.717 1.00 0.00 C ATOM 523 OE1 GLN A 38 -7.707 6.575 -1.782 1.00 0.00 O ATOM 524 NE2 GLN A 38 -5.938 6.075 -0.493 1.00 0.00 N ATOM 0 H GLN A 38 -7.755 1.920 1.418 1.00 0.00 H new ATOM 0 HA GLN A 38 -6.020 3.821 0.407 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -8.339 3.718 -0.253 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -8.889 3.982 1.390 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -9.179 6.037 0.187 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -7.869 6.271 1.327 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -5.598 5.731 0.405 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -5.275 6.348 -1.219 1.00 0.00 H new ATOM 533 N LYS A 39 -6.851 4.381 3.545 1.00 0.00 N ATOM 534 CA LYS A 39 -6.500 5.152 4.733 1.00 0.00 C ATOM 535 C LYS A 39 -4.988 5.198 4.924 1.00 0.00 C ATOM 536 O LYS A 39 -4.384 6.271 4.927 1.00 0.00 O ATOM 537 CB LYS A 39 -7.164 4.547 5.972 1.00 0.00 C ATOM 538 CG LYS A 39 -8.678 4.481 5.880 1.00 0.00 C ATOM 539 CD LYS A 39 -9.307 5.856 6.032 1.00 0.00 C ATOM 540 CE LYS A 39 -9.520 6.524 4.682 1.00 0.00 C ATOM 541 NZ LYS A 39 -10.865 6.219 4.120 1.00 0.00 N ATOM 0 H LYS A 39 -7.538 3.645 3.708 1.00 0.00 H new ATOM 0 HA LYS A 39 -6.862 6.171 4.595 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -6.774 3.541 6.128 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -6.887 5.136 6.846 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -8.967 4.052 4.920 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -9.062 3.817 6.654 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -10.262 5.765 6.549 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -8.667 6.483 6.653 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -9.407 7.603 4.788 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -8.751 6.190 3.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -10.972 6.692 3.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -10.964 5.191 3.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -11.599 6.561 4.772 1.00 0.00 H new ATOM 555 N CYS A 40 -4.380 4.027 5.083 1.00 0.00 N ATOM 556 CA CYS A 40 -2.938 3.933 5.274 1.00 0.00 C ATOM 557 C CYS A 40 -2.191 4.557 4.098 1.00 0.00 C ATOM 558 O CYS A 40 -1.503 5.566 4.252 1.00 0.00 O ATOM 559 CB CYS A 40 -2.518 2.471 5.440 1.00 0.00 C ATOM 560 SG CYS A 40 -3.142 1.687 6.962 1.00 0.00 S ATOM 0 H CYS A 40 -4.864 3.129 5.083 1.00 0.00 H new ATOM 0 HA CYS A 40 -2.681 4.483 6.179 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -2.872 1.903 4.580 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -1.430 2.414 5.434 1.00 0.00 H new ATOM 565 N ILE A 41 -2.333 3.949 2.925 1.00 0.00 N ATOM 566 CA ILE A 41 -1.674 4.445 1.724 1.00 0.00 C ATOM 567 C ILE A 41 -1.659 5.970 1.695 1.00 0.00 C ATOM 568 O ILE A 41 -0.618 6.586 1.465 1.00 0.00 O ATOM 569 CB ILE A 41 -2.363 3.926 0.448 1.00 0.00 C ATOM 570 CG1 ILE A 41 -2.329 2.397 0.411 1.00 0.00 C ATOM 571 CG2 ILE A 41 -1.695 4.506 -0.789 1.00 0.00 C ATOM 572 CD1 ILE A 41 -3.466 1.786 -0.378 1.00 0.00 C ATOM 0 H ILE A 41 -2.898 3.112 2.781 1.00 0.00 H new ATOM 0 HA ILE A 41 -0.649 4.074 1.751 1.00 0.00 H new ATOM 0 HB ILE A 41 -3.404 4.248 0.458 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -1.382 2.073 -0.021 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -2.360 2.016 1.432 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -2.194 4.129 -1.682 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -1.766 5.593 -0.765 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -0.646 4.211 -0.808 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -3.378 0.700 -0.361 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -4.417 2.080 0.067 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -3.424 2.138 -1.409 1.00 0.00 H new ATOM 584 N ASP A 42 -2.819 6.572 1.932 1.00 0.00 N ATOM 585 CA ASP A 42 -2.939 8.025 1.936 1.00 0.00 C ATOM 586 C ASP A 42 -2.167 8.631 3.104 1.00 0.00 C ATOM 587 O ASP A 42 -1.406 9.583 2.932 1.00 0.00 O ATOM 588 CB ASP A 42 -4.411 8.436 2.013 1.00 0.00 C ATOM 589 CG ASP A 42 -4.658 9.815 1.434 1.00 0.00 C ATOM 590 OD1 ASP A 42 -3.756 10.673 1.538 1.00 0.00 O ATOM 591 OD2 ASP A 42 -5.752 10.036 0.875 1.00 0.00 O ATOM 0 H ASP A 42 -3.690 6.076 2.124 1.00 0.00 H new ATOM 0 HA ASP A 42 -2.512 8.403 1.007 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -5.018 7.706 1.477 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -4.736 8.418 3.053 1.00 0.00 H new ATOM 596 N LYS A 43 -2.370 8.074 4.293 1.00 0.00 N ATOM 597 CA LYS A 43 -1.693 8.557 5.490 1.00 0.00 C ATOM 598 C LYS A 43 -0.190 8.676 5.256 1.00 0.00 C ATOM 599 O LYS A 43 0.420 9.693 5.586 1.00 0.00 O ATOM 600 CB LYS A 43 -1.964 7.619 6.668 1.00 0.00 C ATOM 601 CG LYS A 43 -3.335 7.809 7.295 1.00 0.00 C ATOM 602 CD LYS A 43 -3.377 9.043 8.180 1.00 0.00 C ATOM 603 CE LYS A 43 -2.646 8.812 9.494 1.00 0.00 C ATOM 604 NZ LYS A 43 -3.336 7.801 10.342 1.00 0.00 N ATOM 0 H LYS A 43 -2.999 7.287 4.453 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.085 9.547 5.724 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -1.869 6.587 6.329 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -1.200 7.776 7.430 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -4.086 7.897 6.510 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -3.592 6.929 7.884 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.926 9.884 7.654 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -4.414 9.312 8.382 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -1.628 8.481 9.290 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -2.572 9.753 10.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -3.017 7.898 11.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -4.364 7.952 10.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -3.110 6.846 9.997 1.00 0.00 H new ATOM 618 N TRP A 44 0.398 7.632 4.685 1.00 0.00 N ATOM 619 CA TRP A 44 1.830 7.620 4.405 1.00 0.00 C ATOM 620 C TRP A 44 2.098 7.878 2.927 1.00 0.00 C ATOM 621 O TRP A 44 1.857 7.014 2.083 1.00 0.00 O ATOM 622 CB TRP A 44 2.441 6.281 4.822 1.00 0.00 C ATOM 623 CG TRP A 44 1.991 5.818 6.174 1.00 0.00 C ATOM 624 CD1 TRP A 44 0.934 4.999 6.450 1.00 0.00 C ATOM 625 CD2 TRP A 44 2.585 6.148 7.434 1.00 0.00 C ATOM 626 NE1 TRP A 44 0.834 4.801 7.806 1.00 0.00 N ATOM 627 CE2 TRP A 44 1.836 5.494 8.432 1.00 0.00 C ATOM 628 CE3 TRP A 44 3.678 6.931 7.817 1.00 0.00 C ATOM 629 CZ2 TRP A 44 2.146 5.601 9.785 1.00 0.00 C ATOM 630 CZ3 TRP A 44 3.984 7.037 9.160 1.00 0.00 C ATOM 631 CH2 TRP A 44 3.221 6.375 10.131 1.00 0.00 C ATOM 0 H TRP A 44 -0.094 6.783 4.407 1.00 0.00 H new ATOM 0 HA TRP A 44 2.295 8.419 4.983 1.00 0.00 H new ATOM 0 HB2 TRP A 44 2.180 5.525 4.082 1.00 0.00 H new ATOM 0 HB3 TRP A 44 3.527 6.369 4.819 1.00 0.00 H new ATOM 0 HD1 TRP A 44 0.274 4.570 5.711 1.00 0.00 H new ATOM 0 HE1 TRP A 44 0.128 4.230 8.271 1.00 0.00 H new ATOM 0 HE3 TRP A 44 4.273 7.444 7.076 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 1.559 5.092 10.535 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 4.826 7.640 9.467 1.00 0.00 H new ATOM 0 HH2 TRP A 44 3.486 6.477 11.173 1.00 0.00 H new ATOM 642 N SER A 45 2.598 9.070 2.619 1.00 0.00 N ATOM 643 CA SER A 45 2.895 9.442 1.241 1.00 0.00 C ATOM 644 C SER A 45 4.374 9.778 1.076 1.00 0.00 C ATOM 645 O SER A 45 4.732 10.730 0.382 1.00 0.00 O ATOM 646 CB SER A 45 2.039 10.636 0.816 1.00 0.00 C ATOM 647 OG SER A 45 0.671 10.277 0.725 1.00 0.00 O ATOM 0 H SER A 45 2.806 9.795 3.306 1.00 0.00 H new ATOM 0 HA SER A 45 2.660 8.590 0.603 1.00 0.00 H new ATOM 0 HB2 SER A 45 2.158 11.447 1.535 1.00 0.00 H new ATOM 0 HB3 SER A 45 2.385 11.011 -0.148 1.00 0.00 H new ATOM 0 HG SER A 45 0.313 10.123 1.624 1.00 0.00 H new ATOM 653 N ASP A 46 5.229 8.989 1.718 1.00 0.00 N ATOM 654 CA ASP A 46 6.670 9.200 1.642 1.00 0.00 C ATOM 655 C ASP A 46 7.284 8.362 0.526 1.00 0.00 C ATOM 656 O ASP A 46 7.975 8.885 -0.349 1.00 0.00 O ATOM 657 CB ASP A 46 7.328 8.854 2.979 1.00 0.00 C ATOM 658 CG ASP A 46 7.011 7.443 3.432 1.00 0.00 C ATOM 659 OD1 ASP A 46 5.816 7.138 3.632 1.00 0.00 O ATOM 660 OD2 ASP A 46 7.957 6.643 3.586 1.00 0.00 O ATOM 0 H ASP A 46 4.949 8.197 2.297 1.00 0.00 H new ATOM 0 HA ASP A 46 6.848 10.252 1.420 1.00 0.00 H new ATOM 0 HB2 ASP A 46 8.408 8.970 2.890 1.00 0.00 H new ATOM 0 HB3 ASP A 46 6.993 9.560 3.739 1.00 0.00 H new ATOM 665 N ARG A 47 7.030 7.058 0.563 1.00 0.00 N ATOM 666 CA ARG A 47 7.560 6.147 -0.444 1.00 0.00 C ATOM 667 C ARG A 47 6.821 6.311 -1.769 1.00 0.00 C ATOM 668 O ARG A 47 5.807 7.007 -1.844 1.00 0.00 O ATOM 669 CB ARG A 47 7.448 4.699 0.038 1.00 0.00 C ATOM 670 CG ARG A 47 8.588 4.271 0.948 1.00 0.00 C ATOM 671 CD ARG A 47 9.876 4.062 0.168 1.00 0.00 C ATOM 672 NE ARG A 47 10.535 5.326 -0.150 1.00 0.00 N ATOM 673 CZ ARG A 47 11.214 6.044 0.737 1.00 0.00 C ATOM 674 NH1 ARG A 47 11.324 5.624 1.990 1.00 0.00 N ATOM 675 NH2 ARG A 47 11.786 7.184 0.371 1.00 0.00 N ATOM 0 H ARG A 47 6.460 6.609 1.280 1.00 0.00 H new ATOM 0 HA ARG A 47 8.611 6.391 -0.601 1.00 0.00 H new ATOM 0 HB2 ARG A 47 6.504 4.573 0.568 1.00 0.00 H new ATOM 0 HB3 ARG A 47 7.418 4.038 -0.828 1.00 0.00 H new ATOM 0 HG2 ARG A 47 8.746 5.028 1.716 1.00 0.00 H new ATOM 0 HG3 ARG A 47 8.318 3.348 1.461 1.00 0.00 H new ATOM 0 HD2 ARG A 47 10.554 3.436 0.748 1.00 0.00 H new ATOM 0 HD3 ARG A 47 9.658 3.525 -0.755 1.00 0.00 H new ATOM 0 HE ARG A 47 10.470 5.676 -1.106 1.00 0.00 H new ATOM 0 HH11 ARG A 47 10.887 4.748 2.274 1.00 0.00 H new ATOM 0 HH12 ARG A 47 11.846 6.177 2.669 1.00 0.00 H new ATOM 0 HH21 ARG A 47 11.704 7.509 -0.592 1.00 0.00 H new ATOM 0 HH22 ARG A 47 12.307 7.735 1.053 1.00 0.00 H new ATOM 689 N HIS A 48 7.336 5.667 -2.812 1.00 0.00 N ATOM 690 CA HIS A 48 6.725 5.742 -4.134 1.00 0.00 C ATOM 691 C HIS A 48 6.048 4.423 -4.495 1.00 0.00 C ATOM 692 O HIS A 48 4.826 4.355 -4.621 1.00 0.00 O ATOM 693 CB HIS A 48 7.777 6.094 -5.186 1.00 0.00 C ATOM 694 CG HIS A 48 7.961 7.568 -5.379 1.00 0.00 C ATOM 695 ND1 HIS A 48 7.497 8.246 -6.486 1.00 0.00 N ATOM 696 CD2 HIS A 48 8.562 8.495 -4.597 1.00 0.00 C ATOM 697 CE1 HIS A 48 7.805 9.526 -6.378 1.00 0.00 C ATOM 698 NE2 HIS A 48 8.452 9.703 -5.240 1.00 0.00 N ATOM 0 H HIS A 48 8.174 5.088 -2.767 1.00 0.00 H new ATOM 0 HA HIS A 48 5.967 6.525 -4.113 1.00 0.00 H new ATOM 0 HB2 HIS A 48 8.730 5.652 -4.897 1.00 0.00 H new ATOM 0 HB3 HIS A 48 7.493 5.644 -6.137 1.00 0.00 H new ATOM 0 HD2 HIS A 48 9.039 8.317 -3.645 1.00 0.00 H new ATOM 0 HE1 HIS A 48 7.568 10.296 -7.097 1.00 0.00 H new ATOM 0 HE2 HIS A 48 8.812 10.593 -4.895 1.00 0.00 H new ATOM 706 N ARG A 49 6.852 3.378 -4.662 1.00 0.00 N ATOM 707 CA ARG A 49 6.331 2.062 -5.011 1.00 0.00 C ATOM 708 C ARG A 49 6.846 0.999 -4.044 1.00 0.00 C ATOM 709 O ARG A 49 6.097 0.123 -3.613 1.00 0.00 O ATOM 710 CB ARG A 49 6.726 1.697 -6.443 1.00 0.00 C ATOM 711 CG ARG A 49 5.917 2.426 -7.503 1.00 0.00 C ATOM 712 CD ARG A 49 6.679 2.526 -8.815 1.00 0.00 C ATOM 713 NE ARG A 49 5.994 3.380 -9.782 1.00 0.00 N ATOM 714 CZ ARG A 49 4.860 3.044 -10.386 1.00 0.00 C ATOM 715 NH1 ARG A 49 4.286 1.878 -10.124 1.00 0.00 N ATOM 716 NH2 ARG A 49 4.298 3.876 -11.254 1.00 0.00 N ATOM 0 H ARG A 49 7.866 3.417 -4.561 1.00 0.00 H new ATOM 0 HA ARG A 49 5.244 2.099 -4.939 1.00 0.00 H new ATOM 0 HB2 ARG A 49 7.783 1.920 -6.587 1.00 0.00 H new ATOM 0 HB3 ARG A 49 6.606 0.623 -6.581 1.00 0.00 H new ATOM 0 HG2 ARG A 49 4.975 1.903 -7.667 1.00 0.00 H new ATOM 0 HG3 ARG A 49 5.668 3.426 -7.148 1.00 0.00 H new ATOM 0 HD2 ARG A 49 7.677 2.921 -8.625 1.00 0.00 H new ATOM 0 HD3 ARG A 49 6.806 1.529 -9.237 1.00 0.00 H new ATOM 0 HE ARG A 49 6.410 4.284 -10.006 1.00 0.00 H new ATOM 0 HH11 ARG A 49 4.715 1.237 -9.457 1.00 0.00 H new ATOM 0 HH12 ARG A 49 3.415 1.622 -10.589 1.00 0.00 H new ATOM 0 HH21 ARG A 49 4.737 4.774 -11.457 1.00 0.00 H new ATOM 0 HH22 ARG A 49 3.427 3.617 -11.718 1.00 0.00 H new ATOM 730 N ASN A 50 8.129 1.085 -3.707 1.00 0.00 N ATOM 731 CA ASN A 50 8.743 0.130 -2.792 1.00 0.00 C ATOM 732 C ASN A 50 7.784 -0.238 -1.664 1.00 0.00 C ATOM 733 O ASN A 50 6.893 0.537 -1.314 1.00 0.00 O ATOM 734 CB ASN A 50 10.034 0.710 -2.209 1.00 0.00 C ATOM 735 CG ASN A 50 11.067 1.012 -3.277 1.00 0.00 C ATOM 736 OD1 ASN A 50 11.727 0.108 -3.791 1.00 0.00 O ATOM 737 ND2 ASN A 50 11.211 2.287 -3.617 1.00 0.00 N ATOM 0 H ASN A 50 8.763 1.805 -4.053 1.00 0.00 H new ATOM 0 HA ASN A 50 8.978 -0.774 -3.354 1.00 0.00 H new ATOM 0 HB2 ASN A 50 9.804 1.624 -1.662 1.00 0.00 H new ATOM 0 HB3 ASN A 50 10.453 0.006 -1.491 1.00 0.00 H new ATOM 0 HD21 ASN A 50 11.890 2.551 -4.331 1.00 0.00 H new ATOM 0 HD22 ASN A 50 10.642 3.003 -3.165 1.00 0.00 H new ATOM 744 N CYS A 51 7.971 -1.426 -1.100 1.00 0.00 N ATOM 745 CA CYS A 51 7.123 -1.899 -0.012 1.00 0.00 C ATOM 746 C CYS A 51 7.710 -1.511 1.343 1.00 0.00 C ATOM 747 O CYS A 51 8.871 -1.785 1.646 1.00 0.00 O ATOM 748 CB CYS A 51 6.956 -3.418 -0.091 1.00 0.00 C ATOM 749 SG CYS A 51 5.875 -4.115 1.199 1.00 0.00 S ATOM 0 H CYS A 51 8.703 -2.080 -1.378 1.00 0.00 H new ATOM 0 HA CYS A 51 6.146 -1.427 -0.114 1.00 0.00 H new ATOM 0 HB2 CYS A 51 6.551 -3.678 -1.069 1.00 0.00 H new ATOM 0 HB3 CYS A 51 7.938 -3.885 -0.018 1.00 0.00 H new ATOM 754 N PRO A 52 6.888 -0.858 2.178 1.00 0.00 N ATOM 755 CA PRO A 52 7.302 -0.419 3.513 1.00 0.00 C ATOM 756 C PRO A 52 7.504 -1.588 4.471 1.00 0.00 C ATOM 757 O PRO A 52 8.478 -1.624 5.224 1.00 0.00 O ATOM 758 CB PRO A 52 6.134 0.456 3.977 1.00 0.00 C ATOM 759 CG PRO A 52 4.958 -0.046 3.214 1.00 0.00 C ATOM 760 CD PRO A 52 5.491 -0.498 1.882 1.00 0.00 C ATOM 0 HA PRO A 52 8.260 0.100 3.492 1.00 0.00 H new ATOM 0 HB2 PRO A 52 5.976 0.367 5.052 1.00 0.00 H new ATOM 0 HB3 PRO A 52 6.321 1.509 3.768 1.00 0.00 H new ATOM 0 HG2 PRO A 52 4.474 -0.869 3.740 1.00 0.00 H new ATOM 0 HG3 PRO A 52 4.210 0.737 3.090 1.00 0.00 H new ATOM 0 HD2 PRO A 52 4.931 -1.348 1.493 1.00 0.00 H new ATOM 0 HD3 PRO A 52 5.430 0.293 1.135 1.00 0.00 H new ATOM 768 N ILE A 53 6.580 -2.542 4.436 1.00 0.00 N ATOM 769 CA ILE A 53 6.659 -3.713 5.301 1.00 0.00 C ATOM 770 C ILE A 53 7.946 -4.493 5.052 1.00 0.00 C ATOM 771 O ILE A 53 8.441 -5.193 5.937 1.00 0.00 O ATOM 772 CB ILE A 53 5.455 -4.650 5.090 1.00 0.00 C ATOM 773 CG1 ILE A 53 4.145 -3.879 5.265 1.00 0.00 C ATOM 774 CG2 ILE A 53 5.520 -5.821 6.059 1.00 0.00 C ATOM 775 CD1 ILE A 53 3.944 -3.338 6.663 1.00 0.00 C ATOM 0 H ILE A 53 5.768 -2.527 3.818 1.00 0.00 H new ATOM 0 HA ILE A 53 6.650 -3.349 6.328 1.00 0.00 H new ATOM 0 HB ILE A 53 5.491 -5.042 4.074 1.00 0.00 H new ATOM 0 HG12 ILE A 53 4.123 -3.051 4.557 1.00 0.00 H new ATOM 0 HG13 ILE A 53 3.311 -4.534 5.014 1.00 0.00 H new ATOM 0 HG21 ILE A 53 4.663 -6.475 5.898 1.00 0.00 H new ATOM 0 HG22 ILE A 53 6.440 -6.381 5.891 1.00 0.00 H new ATOM 0 HG23 ILE A 53 5.504 -5.447 7.083 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.996 -2.803 6.713 1.00 0.00 H new ATOM 0 HD12 ILE A 53 3.933 -4.164 7.375 1.00 0.00 H new ATOM 0 HD13 ILE A 53 4.758 -2.657 6.910 1.00 0.00 H new ATOM 787 N CYS A 54 8.484 -4.368 3.844 1.00 0.00 N ATOM 788 CA CYS A 54 9.714 -5.059 3.478 1.00 0.00 C ATOM 789 C CYS A 54 10.925 -4.148 3.658 1.00 0.00 C ATOM 790 O CYS A 54 11.977 -4.582 4.128 1.00 0.00 O ATOM 791 CB CYS A 54 9.639 -5.546 2.030 1.00 0.00 C ATOM 792 SG CYS A 54 8.545 -6.981 1.784 1.00 0.00 S ATOM 0 H CYS A 54 8.087 -3.794 3.101 1.00 0.00 H new ATOM 0 HA CYS A 54 9.828 -5.919 4.138 1.00 0.00 H new ATOM 0 HB2 CYS A 54 9.293 -4.727 1.400 1.00 0.00 H new ATOM 0 HB3 CYS A 54 10.642 -5.806 1.693 1.00 0.00 H new ATOM 797 N ARG A 55 10.767 -2.883 3.282 1.00 0.00 N ATOM 798 CA ARG A 55 11.847 -1.911 3.400 1.00 0.00 C ATOM 799 C ARG A 55 12.453 -1.940 4.800 1.00 0.00 C ATOM 800 O ARG A 55 13.637 -2.234 4.969 1.00 0.00 O ATOM 801 CB ARG A 55 11.333 -0.505 3.084 1.00 0.00 C ATOM 802 CG ARG A 55 12.439 0.515 2.870 1.00 0.00 C ATOM 803 CD ARG A 55 13.161 0.835 4.170 1.00 0.00 C ATOM 804 NE ARG A 55 13.997 2.027 4.053 1.00 0.00 N ATOM 805 CZ ARG A 55 14.873 2.404 4.977 1.00 0.00 C ATOM 806 NH1 ARG A 55 15.028 1.685 6.080 1.00 0.00 N ATOM 807 NH2 ARG A 55 15.597 3.501 4.798 1.00 0.00 N ATOM 0 H ARG A 55 9.902 -2.508 2.893 1.00 0.00 H new ATOM 0 HA ARG A 55 12.622 -2.177 2.681 1.00 0.00 H new ATOM 0 HB2 ARG A 55 10.712 -0.547 2.190 1.00 0.00 H new ATOM 0 HB3 ARG A 55 10.694 -0.169 3.901 1.00 0.00 H new ATOM 0 HG2 ARG A 55 13.153 0.132 2.141 1.00 0.00 H new ATOM 0 HG3 ARG A 55 12.017 1.429 2.453 1.00 0.00 H new ATOM 0 HD2 ARG A 55 12.429 0.982 4.964 1.00 0.00 H new ATOM 0 HD3 ARG A 55 13.779 -0.014 4.460 1.00 0.00 H new ATOM 0 HE ARG A 55 13.903 2.601 3.215 1.00 0.00 H new ATOM 0 HH11 ARG A 55 14.474 0.840 6.220 1.00 0.00 H new ATOM 0 HH12 ARG A 55 15.702 1.977 6.788 1.00 0.00 H new ATOM 0 HH21 ARG A 55 15.481 4.056 3.950 1.00 0.00 H new ATOM 0 HH22 ARG A 55 16.270 3.790 5.508 1.00 0.00 H new ATOM 821 N LEU A 56 11.635 -1.632 5.800 1.00 0.00 N ATOM 822 CA LEU A 56 12.090 -1.622 7.186 1.00 0.00 C ATOM 823 C LEU A 56 12.884 -2.884 7.507 1.00 0.00 C ATOM 824 O LEU A 56 13.845 -2.845 8.274 1.00 0.00 O ATOM 825 CB LEU A 56 10.897 -1.500 8.135 1.00 0.00 C ATOM 826 CG LEU A 56 10.096 -2.781 8.373 1.00 0.00 C ATOM 827 CD1 LEU A 56 10.686 -3.572 9.530 1.00 0.00 C ATOM 828 CD2 LEU A 56 8.634 -2.453 8.640 1.00 0.00 C ATOM 0 H LEU A 56 10.653 -1.386 5.677 1.00 0.00 H new ATOM 0 HA LEU A 56 12.743 -0.760 7.322 1.00 0.00 H new ATOM 0 HB2 LEU A 56 11.259 -1.137 9.097 1.00 0.00 H new ATOM 0 HB3 LEU A 56 10.221 -0.740 7.742 1.00 0.00 H new ATOM 0 HG LEU A 56 10.152 -3.395 7.474 1.00 0.00 H new ATOM 0 HD11 LEU A 56 10.103 -4.480 9.685 1.00 0.00 H new ATOM 0 HD12 LEU A 56 11.718 -3.838 9.300 1.00 0.00 H new ATOM 0 HD13 LEU A 56 10.661 -2.966 10.436 1.00 0.00 H new ATOM 0 HD21 LEU A 56 8.079 -3.376 8.807 1.00 0.00 H new ATOM 0 HD22 LEU A 56 8.559 -1.819 9.524 1.00 0.00 H new ATOM 0 HD23 LEU A 56 8.216 -1.929 7.781 1.00 0.00 H new ATOM 840 N GLN A 57 12.475 -4.001 6.914 1.00 0.00 N ATOM 841 CA GLN A 57 13.148 -5.275 7.137 1.00 0.00 C ATOM 842 C GLN A 57 14.532 -5.278 6.496 1.00 0.00 C ATOM 843 O GLN A 57 14.697 -5.701 5.352 1.00 0.00 O ATOM 844 CB GLN A 57 12.311 -6.424 6.574 1.00 0.00 C ATOM 845 CG GLN A 57 12.519 -7.742 7.303 1.00 0.00 C ATOM 846 CD GLN A 57 12.214 -8.945 6.432 1.00 0.00 C ATOM 847 OE1 GLN A 57 13.043 -9.368 5.625 1.00 0.00 O ATOM 848 NE2 GLN A 57 11.020 -9.504 6.591 1.00 0.00 N ATOM 0 H GLN A 57 11.681 -4.049 6.276 1.00 0.00 H new ATOM 0 HA GLN A 57 13.264 -5.412 8.212 1.00 0.00 H new ATOM 0 HB2 GLN A 57 11.256 -6.153 6.624 1.00 0.00 H new ATOM 0 HB3 GLN A 57 12.556 -6.558 5.520 1.00 0.00 H new ATOM 0 HG2 GLN A 57 13.550 -7.802 7.650 1.00 0.00 H new ATOM 0 HG3 GLN A 57 11.883 -7.768 8.188 1.00 0.00 H new ATOM 0 HE21 GLN A 57 10.364 -9.121 7.271 1.00 0.00 H new ATOM 0 HE22 GLN A 57 10.759 -10.317 6.033 1.00 0.00 H new ATOM 857 N MET A 58 15.525 -4.802 7.241 1.00 0.00 N ATOM 858 CA MET A 58 16.896 -4.751 6.745 1.00 0.00 C ATOM 859 C MET A 58 17.728 -5.888 7.329 1.00 0.00 C ATOM 860 O MET A 58 17.579 -6.245 8.498 1.00 0.00 O ATOM 861 CB MET A 58 17.536 -3.405 7.092 1.00 0.00 C ATOM 862 CG MET A 58 18.985 -3.290 6.649 1.00 0.00 C ATOM 863 SD MET A 58 19.147 -2.804 4.920 1.00 0.00 S ATOM 864 CE MET A 58 18.436 -1.161 4.963 1.00 0.00 C ATOM 0 H MET A 58 15.406 -4.446 8.190 1.00 0.00 H new ATOM 0 HA MET A 58 16.869 -4.864 5.661 1.00 0.00 H new ATOM 0 HB2 MET A 58 16.958 -2.606 6.627 1.00 0.00 H new ATOM 0 HB3 MET A 58 17.481 -3.253 8.170 1.00 0.00 H new ATOM 0 HG2 MET A 58 19.496 -2.560 7.277 1.00 0.00 H new ATOM 0 HG3 MET A 58 19.484 -4.247 6.802 1.00 0.00 H new ATOM 0 HE1 MET A 58 18.879 -0.552 4.175 1.00 0.00 H new ATOM 0 HE2 MET A 58 17.359 -1.226 4.809 1.00 0.00 H new ATOM 0 HE3 MET A 58 18.637 -0.703 5.931 1.00 0.00 H new ATOM 874 N THR A 59 18.604 -6.456 6.506 1.00 0.00 N ATOM 875 CA THR A 59 19.459 -7.554 6.940 1.00 0.00 C ATOM 876 C THR A 59 20.807 -7.041 7.432 1.00 0.00 C ATOM 877 O THR A 59 21.244 -5.955 7.053 1.00 0.00 O ATOM 878 CB THR A 59 19.691 -8.568 5.804 1.00 0.00 C ATOM 879 OG1 THR A 59 20.306 -7.919 4.686 1.00 0.00 O ATOM 880 CG2 THR A 59 18.380 -9.204 5.369 1.00 0.00 C ATOM 0 H THR A 59 18.740 -6.174 5.535 1.00 0.00 H new ATOM 0 HA THR A 59 18.942 -8.051 7.761 1.00 0.00 H new ATOM 0 HB THR A 59 20.350 -9.352 6.177 1.00 0.00 H new ATOM 0 HG1 THR A 59 20.452 -8.571 3.969 1.00 0.00 H new ATOM 0 HG21 THR A 59 18.570 -9.916 4.566 1.00 0.00 H new ATOM 0 HG22 THR A 59 17.929 -9.723 6.215 1.00 0.00 H new ATOM 0 HG23 THR A 59 17.700 -8.430 5.014 1.00 0.00 H new ATOM 888 N GLY A 60 21.464 -7.829 8.277 1.00 0.00 N ATOM 889 CA GLY A 60 22.757 -7.437 8.806 1.00 0.00 C ATOM 890 C GLY A 60 23.091 -8.142 10.105 1.00 0.00 C ATOM 891 O GLY A 60 23.827 -9.128 10.113 1.00 0.00 O ATOM 0 H GLY A 60 21.123 -8.733 8.605 1.00 0.00 H new ATOM 0 HA2 GLY A 60 23.529 -7.656 8.069 1.00 0.00 H new ATOM 0 HA3 GLY A 60 22.768 -6.359 8.968 1.00 0.00 H new ATOM 895 N ALA A 61 22.549 -7.636 11.208 1.00 0.00 N ATOM 896 CA ALA A 61 22.793 -8.224 12.519 1.00 0.00 C ATOM 897 C ALA A 61 22.575 -9.733 12.493 1.00 0.00 C ATOM 898 O ALA A 61 21.867 -10.252 11.631 1.00 0.00 O ATOM 899 CB ALA A 61 21.894 -7.578 13.563 1.00 0.00 C ATOM 0 H ALA A 61 21.938 -6.820 11.219 1.00 0.00 H new ATOM 0 HA ALA A 61 23.833 -8.037 12.785 1.00 0.00 H new ATOM 0 HB1 ALA A 61 22.087 -8.027 14.537 1.00 0.00 H new ATOM 0 HB2 ALA A 61 22.100 -6.509 13.609 1.00 0.00 H new ATOM 0 HB3 ALA A 61 20.850 -7.735 13.292 1.00 0.00 H new ATOM 905 N ASN A 62 23.190 -10.431 13.442 1.00 0.00 N ATOM 906 CA ASN A 62 23.065 -11.882 13.526 1.00 0.00 C ATOM 907 C ASN A 62 22.775 -12.321 14.958 1.00 0.00 C ATOM 908 O ASN A 62 23.446 -11.891 15.896 1.00 0.00 O ATOM 909 CB ASN A 62 24.343 -12.555 13.023 1.00 0.00 C ATOM 910 CG ASN A 62 24.741 -12.080 11.639 1.00 0.00 C ATOM 911 OD1 ASN A 62 24.156 -12.491 10.637 1.00 0.00 O ATOM 912 ND2 ASN A 62 25.742 -11.209 11.578 1.00 0.00 N ATOM 0 H ASN A 62 23.780 -10.016 14.163 1.00 0.00 H new ATOM 0 HA ASN A 62 22.230 -12.187 12.895 1.00 0.00 H new ATOM 0 HB2 ASN A 62 25.155 -12.353 13.721 1.00 0.00 H new ATOM 0 HB3 ASN A 62 24.199 -13.635 13.006 1.00 0.00 H new ATOM 0 HD21 ASN A 62 26.054 -10.854 10.674 1.00 0.00 H new ATOM 0 HD22 ASN A 62 26.198 -10.896 12.435 1.00 0.00 H new ATOM 919 N GLU A 63 21.773 -13.179 15.117 1.00 0.00 N ATOM 920 CA GLU A 63 21.395 -13.676 16.435 1.00 0.00 C ATOM 921 C GLU A 63 21.443 -12.558 17.472 1.00 0.00 C ATOM 922 O GLU A 63 21.888 -12.762 18.602 1.00 0.00 O ATOM 923 CB GLU A 63 22.320 -14.819 16.858 1.00 0.00 C ATOM 924 CG GLU A 63 21.691 -15.771 17.862 1.00 0.00 C ATOM 925 CD GLU A 63 20.772 -16.784 17.208 1.00 0.00 C ATOM 926 OE1 GLU A 63 21.219 -17.464 16.260 1.00 0.00 O ATOM 927 OE2 GLU A 63 19.608 -16.898 17.643 1.00 0.00 O ATOM 0 H GLU A 63 21.208 -13.545 14.350 1.00 0.00 H new ATOM 0 HA GLU A 63 20.373 -14.049 16.375 1.00 0.00 H new ATOM 0 HB2 GLU A 63 22.617 -15.382 15.973 1.00 0.00 H new ATOM 0 HB3 GLU A 63 23.229 -14.399 17.288 1.00 0.00 H new ATOM 0 HG2 GLU A 63 22.479 -16.296 18.402 1.00 0.00 H new ATOM 0 HG3 GLU A 63 21.128 -15.197 18.598 1.00 0.00 H new ATOM 934 N SER A 64 20.983 -11.374 17.079 1.00 0.00 N ATOM 935 CA SER A 64 20.977 -10.221 17.972 1.00 0.00 C ATOM 936 C SER A 64 19.550 -9.820 18.332 1.00 0.00 C ATOM 937 O SER A 64 18.723 -9.572 17.455 1.00 0.00 O ATOM 938 CB SER A 64 21.702 -9.041 17.321 1.00 0.00 C ATOM 939 OG SER A 64 23.071 -9.338 17.109 1.00 0.00 O ATOM 0 H SER A 64 20.610 -11.188 16.148 1.00 0.00 H new ATOM 0 HA SER A 64 21.500 -10.499 18.887 1.00 0.00 H new ATOM 0 HB2 SER A 64 21.228 -8.799 16.370 1.00 0.00 H new ATOM 0 HB3 SER A 64 21.612 -8.160 17.956 1.00 0.00 H new ATOM 0 HG SER A 64 23.151 -10.200 16.650 1.00 0.00 H new ATOM 945 N SER A 65 19.269 -9.760 19.630 1.00 0.00 N ATOM 946 CA SER A 65 17.941 -9.393 20.108 1.00 0.00 C ATOM 947 C SER A 65 18.017 -8.208 21.066 1.00 0.00 C ATOM 948 O SER A 65 18.509 -8.332 22.187 1.00 0.00 O ATOM 949 CB SER A 65 17.279 -10.584 20.803 1.00 0.00 C ATOM 950 OG SER A 65 15.944 -10.282 21.172 1.00 0.00 O ATOM 0 H SER A 65 19.943 -9.961 20.369 1.00 0.00 H new ATOM 0 HA SER A 65 17.339 -9.104 19.247 1.00 0.00 H new ATOM 0 HB2 SER A 65 17.289 -11.448 20.139 1.00 0.00 H new ATOM 0 HB3 SER A 65 17.852 -10.856 21.689 1.00 0.00 H new ATOM 0 HG SER A 65 15.543 -11.060 21.613 1.00 0.00 H new ATOM 956 N GLY A 66 17.524 -7.058 20.616 1.00 0.00 N ATOM 957 CA GLY A 66 17.545 -5.867 21.445 1.00 0.00 C ATOM 958 C GLY A 66 16.672 -4.759 20.890 1.00 0.00 C ATOM 959 O GLY A 66 16.586 -4.554 19.679 1.00 0.00 O ATOM 0 H GLY A 66 17.111 -6.930 19.692 1.00 0.00 H new ATOM 0 HA2 GLY A 66 17.208 -6.122 22.450 1.00 0.00 H new ATOM 0 HA3 GLY A 66 18.570 -5.508 21.534 1.00 0.00 H new ATOM 963 N PRO A 67 16.002 -4.023 21.789 1.00 0.00 N ATOM 964 CA PRO A 67 15.117 -2.918 21.405 1.00 0.00 C ATOM 965 C PRO A 67 15.887 -1.723 20.854 1.00 0.00 C ATOM 966 O PRO A 67 17.113 -1.758 20.747 1.00 0.00 O ATOM 967 CB PRO A 67 14.423 -2.548 22.718 1.00 0.00 C ATOM 968 CG PRO A 67 15.368 -2.986 23.783 1.00 0.00 C ATOM 969 CD PRO A 67 16.056 -4.211 23.248 1.00 0.00 C ATOM 0 HA PRO A 67 14.429 -3.204 20.609 1.00 0.00 H new ATOM 0 HB2 PRO A 67 14.231 -1.477 22.776 1.00 0.00 H new ATOM 0 HB3 PRO A 67 13.460 -3.050 22.812 1.00 0.00 H new ATOM 0 HG2 PRO A 67 16.090 -2.202 24.011 1.00 0.00 H new ATOM 0 HG3 PRO A 67 14.837 -3.209 24.708 1.00 0.00 H new ATOM 0 HD2 PRO A 67 17.083 -4.284 23.606 1.00 0.00 H new ATOM 0 HD3 PRO A 67 15.546 -5.124 23.555 1.00 0.00 H new ATOM 977 N SER A 68 15.160 -0.666 20.507 1.00 0.00 N ATOM 978 CA SER A 68 15.776 0.540 19.964 1.00 0.00 C ATOM 979 C SER A 68 14.784 1.699 19.954 1.00 0.00 C ATOM 980 O SER A 68 13.756 1.644 19.279 1.00 0.00 O ATOM 981 CB SER A 68 16.290 0.281 18.546 1.00 0.00 C ATOM 982 OG SER A 68 15.234 -0.103 17.683 1.00 0.00 O ATOM 0 H SER A 68 14.145 -0.620 20.592 1.00 0.00 H new ATOM 0 HA SER A 68 16.616 0.809 20.604 1.00 0.00 H new ATOM 0 HB2 SER A 68 16.770 1.180 18.160 1.00 0.00 H new ATOM 0 HB3 SER A 68 17.049 -0.501 18.568 1.00 0.00 H new ATOM 0 HG SER A 68 14.404 0.334 17.967 1.00 0.00 H new ATOM 988 N SER A 69 15.100 2.747 20.707 1.00 0.00 N ATOM 989 CA SER A 69 14.235 3.918 20.789 1.00 0.00 C ATOM 990 C SER A 69 14.340 4.760 19.521 1.00 0.00 C ATOM 991 O SER A 69 15.178 4.502 18.658 1.00 0.00 O ATOM 992 CB SER A 69 14.603 4.766 22.009 1.00 0.00 C ATOM 993 OG SER A 69 13.988 4.264 23.183 1.00 0.00 O ATOM 0 H SER A 69 15.949 2.809 21.269 1.00 0.00 H new ATOM 0 HA SER A 69 13.206 3.573 20.892 1.00 0.00 H new ATOM 0 HB2 SER A 69 15.685 4.774 22.137 1.00 0.00 H new ATOM 0 HB3 SER A 69 14.293 5.798 21.845 1.00 0.00 H new ATOM 0 HG SER A 69 14.240 4.822 23.948 1.00 0.00 H new ATOM 999 N GLY A 70 13.480 5.769 19.415 1.00 0.00 N ATOM 1000 CA GLY A 70 13.491 6.634 18.250 1.00 0.00 C ATOM 1001 C GLY A 70 13.067 5.910 16.987 1.00 0.00 C ATOM 1002 O GLY A 70 12.543 4.801 17.080 1.00 0.00 O ATOM 0 H GLY A 70 12.776 6.002 20.115 1.00 0.00 H new ATOM 0 HA2 GLY A 70 12.824 7.479 18.422 1.00 0.00 H new ATOM 0 HA3 GLY A 70 14.493 7.041 18.113 1.00 0.00 H new TER 1006 GLY A 70 HETATM 1007 ZN ZN A 201 -4.734 0.212 6.588 1.00 0.00 ZN HETATM 1008 ZN ZN A 401 6.378 -6.442 1.131 1.00 0.00 ZN