USER MOD reduce.3.24.130724 H: found=0, std=0, add=336, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 335 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 38 ZNZN :(H bumps) USER MOD Set 1.1: A 1 MET CE :methyl -162:sc= -3.4! (180deg=-3.53) USER MOD Set 1.2: A 36 GLN : amide:sc= -6.85! K(o=-10!,f=-13) USER MOD Single : A 1 MET N :NH3+ 142:sc= -0.136 (180deg=-1.41!) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ -119:sc= 0 (180deg=-0.0173) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 HIS : no HD1:sc= -0.368 X(o=-0.37,f=-0.37) USER MOD Single : A 24 TYR OH : rot 130:sc= -0.928 USER MOD Single : A 29 ASN : amide:sc= -4.5! C(o=-4.5!,f=-19!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN :FLIP amide:sc= 0 F(o=-0.53,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 26.899 6.008 10.726 1.00 0.00 N ATOM 2 CA MET A 1 28.192 6.510 11.278 1.00 0.00 C ATOM 3 C MET A 1 28.414 7.968 10.857 1.00 0.00 C ATOM 4 O MET A 1 27.504 8.774 10.879 1.00 0.00 O ATOM 5 CB MET A 1 29.271 5.591 10.678 1.00 0.00 C ATOM 6 CG MET A 1 29.261 5.685 9.145 1.00 0.00 C ATOM 7 SD MET A 1 30.774 6.504 8.576 1.00 0.00 S ATOM 8 CE MET A 1 31.670 5.019 8.053 1.00 0.00 C ATOM 0 H1 MET A 1 27.009 5.017 10.430 1.00 0.00 H new ATOM 0 H2 MET A 1 26.162 6.071 11.457 1.00 0.00 H new ATOM 0 H3 MET A 1 26.624 6.586 9.906 1.00 0.00 H new ATOM 0 HA MET A 1 28.213 6.492 12.368 1.00 0.00 H new ATOM 0 HB2 MET A 1 30.252 5.874 11.060 1.00 0.00 H new ATOM 0 HB3 MET A 1 29.093 4.561 10.987 1.00 0.00 H new ATOM 0 HG2 MET A 1 29.189 4.688 8.710 1.00 0.00 H new ATOM 0 HG3 MET A 1 28.386 6.242 8.810 1.00 0.00 H new ATOM 0 HE1 MET A 1 32.733 5.246 7.967 1.00 0.00 H new ATOM 0 HE2 MET A 1 31.526 4.229 8.790 1.00 0.00 H new ATOM 0 HE3 MET A 1 31.291 4.687 7.087 1.00 0.00 H new ATOM 20 N LYS A 2 29.616 8.304 10.472 1.00 0.00 N ATOM 21 CA LYS A 2 29.920 9.700 10.040 1.00 0.00 C ATOM 22 C LYS A 2 29.286 9.989 8.680 1.00 0.00 C ATOM 23 O LYS A 2 28.139 9.670 8.436 1.00 0.00 O ATOM 24 CB LYS A 2 31.451 9.752 9.959 1.00 0.00 C ATOM 25 CG LYS A 2 32.053 9.331 11.307 1.00 0.00 C ATOM 26 CD LYS A 2 33.078 10.373 11.768 1.00 0.00 C ATOM 27 CE LYS A 2 32.355 11.554 12.424 1.00 0.00 C ATOM 28 NZ LYS A 2 33.424 12.553 12.708 1.00 0.00 N ATOM 0 H LYS A 2 30.409 7.664 10.438 1.00 0.00 H new ATOM 0 HA LYS A 2 29.522 10.448 10.726 1.00 0.00 H new ATOM 0 HB2 LYS A 2 31.806 9.091 9.168 1.00 0.00 H new ATOM 0 HB3 LYS A 2 31.778 10.760 9.702 1.00 0.00 H new ATOM 0 HG2 LYS A 2 31.264 9.230 12.052 1.00 0.00 H new ATOM 0 HG3 LYS A 2 32.530 8.355 11.213 1.00 0.00 H new ATOM 0 HD2 LYS A 2 33.775 9.923 12.475 1.00 0.00 H new ATOM 0 HD3 LYS A 2 33.665 10.720 10.918 1.00 0.00 H new ATOM 0 HE2 LYS A 2 31.594 11.968 11.762 1.00 0.00 H new ATOM 0 HE3 LYS A 2 31.849 11.247 13.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 33.005 13.391 13.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 34.130 12.134 13.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 33.884 12.832 11.818 1.00 0.00 H new ATOM 42 N VAL A 3 30.039 10.609 7.821 1.00 0.00 N ATOM 43 CA VAL A 3 29.556 10.976 6.445 1.00 0.00 C ATOM 44 C VAL A 3 28.449 10.031 5.947 1.00 0.00 C ATOM 45 O VAL A 3 28.488 8.835 6.171 1.00 0.00 O ATOM 46 CB VAL A 3 30.800 10.861 5.553 1.00 0.00 C ATOM 47 CG1 VAL A 3 31.499 9.516 5.796 1.00 0.00 C ATOM 48 CG2 VAL A 3 30.390 10.961 4.079 1.00 0.00 C ATOM 0 H VAL A 3 31.001 10.889 8.013 1.00 0.00 H new ATOM 0 HA VAL A 3 29.116 11.973 6.434 1.00 0.00 H new ATOM 0 HB VAL A 3 31.486 11.672 5.798 1.00 0.00 H new ATOM 0 HG11 VAL A 3 32.380 9.444 5.159 1.00 0.00 H new ATOM 0 HG12 VAL A 3 31.800 9.446 6.841 1.00 0.00 H new ATOM 0 HG13 VAL A 3 30.813 8.702 5.561 1.00 0.00 H new ATOM 0 HG21 VAL A 3 31.275 10.879 3.449 1.00 0.00 H new ATOM 0 HG22 VAL A 3 29.697 10.154 3.838 1.00 0.00 H new ATOM 0 HG23 VAL A 3 29.905 11.921 3.900 1.00 0.00 H new ATOM 58 N ARG A 4 27.469 10.577 5.261 1.00 0.00 N ATOM 59 CA ARG A 4 26.344 9.751 4.723 1.00 0.00 C ATOM 60 C ARG A 4 26.861 8.388 4.272 1.00 0.00 C ATOM 61 O ARG A 4 27.683 8.290 3.381 1.00 0.00 O ATOM 62 CB ARG A 4 25.802 10.541 3.527 1.00 0.00 C ATOM 63 CG ARG A 4 24.764 11.566 4.004 1.00 0.00 C ATOM 64 CD ARG A 4 25.412 12.952 4.117 1.00 0.00 C ATOM 65 NE ARG A 4 24.396 13.903 3.574 1.00 0.00 N ATOM 66 CZ ARG A 4 23.379 14.279 4.307 1.00 0.00 C ATOM 67 NH1 ARG A 4 23.235 13.817 5.521 1.00 0.00 N ATOM 68 NH2 ARG A 4 22.503 15.117 3.822 1.00 0.00 N ATOM 0 H ARG A 4 27.403 11.573 5.050 1.00 0.00 H new ATOM 0 HA ARG A 4 25.573 9.569 5.472 1.00 0.00 H new ATOM 0 HB2 ARG A 4 26.619 11.049 3.016 1.00 0.00 H new ATOM 0 HB3 ARG A 4 25.349 9.861 2.806 1.00 0.00 H new ATOM 0 HG2 ARG A 4 23.928 11.602 3.306 1.00 0.00 H new ATOM 0 HG3 ARG A 4 24.360 11.264 4.970 1.00 0.00 H new ATOM 0 HD2 ARG A 4 25.659 13.188 5.152 1.00 0.00 H new ATOM 0 HD3 ARG A 4 26.341 13.000 3.548 1.00 0.00 H new ATOM 0 HE ARG A 4 24.496 14.262 2.625 1.00 0.00 H new ATOM 0 HH11 ARG A 4 23.917 13.160 5.901 1.00 0.00 H new ATOM 0 HH12 ARG A 4 22.441 14.113 6.088 1.00 0.00 H new ATOM 0 HH21 ARG A 4 22.612 15.477 2.874 1.00 0.00 H new ATOM 0 HH22 ARG A 4 21.710 15.412 4.391 1.00 0.00 H new ATOM 82 N ALA A 5 26.401 7.340 4.895 1.00 0.00 N ATOM 83 CA ALA A 5 26.882 5.984 4.521 1.00 0.00 C ATOM 84 C ALA A 5 26.267 5.534 3.191 1.00 0.00 C ATOM 85 O ALA A 5 25.716 4.455 3.087 1.00 0.00 O ATOM 86 CB ALA A 5 26.430 5.073 5.665 1.00 0.00 C ATOM 0 H ALA A 5 25.712 7.365 5.647 1.00 0.00 H new ATOM 0 HA ALA A 5 27.963 5.959 4.382 1.00 0.00 H new ATOM 0 HB1 ALA A 5 26.748 4.050 5.463 1.00 0.00 H new ATOM 0 HB2 ALA A 5 26.876 5.414 6.599 1.00 0.00 H new ATOM 0 HB3 ALA A 5 25.344 5.105 5.748 1.00 0.00 H new ATOM 92 N SER A 6 26.368 6.344 2.169 1.00 0.00 N ATOM 93 CA SER A 6 25.798 5.949 0.847 1.00 0.00 C ATOM 94 C SER A 6 26.801 5.080 0.092 1.00 0.00 C ATOM 95 O SER A 6 26.905 5.122 -1.119 1.00 0.00 O ATOM 96 CB SER A 6 25.541 7.263 0.108 1.00 0.00 C ATOM 97 OG SER A 6 24.744 8.114 0.923 1.00 0.00 O ATOM 0 H SER A 6 26.819 7.259 2.193 1.00 0.00 H new ATOM 0 HA SER A 6 24.882 5.366 0.944 1.00 0.00 H new ATOM 0 HB2 SER A 6 26.486 7.750 -0.130 1.00 0.00 H new ATOM 0 HB3 SER A 6 25.035 7.068 -0.838 1.00 0.00 H new ATOM 0 HG SER A 6 24.579 8.958 0.452 1.00 0.00 H new ATOM 103 N VAL A 7 27.531 4.288 0.817 1.00 0.00 N ATOM 104 CA VAL A 7 28.542 3.385 0.192 1.00 0.00 C ATOM 105 C VAL A 7 27.861 2.122 -0.341 1.00 0.00 C ATOM 106 O VAL A 7 28.470 1.325 -1.023 1.00 0.00 O ATOM 107 CB VAL A 7 29.515 3.065 1.330 1.00 0.00 C ATOM 108 CG1 VAL A 7 29.288 1.641 1.860 1.00 0.00 C ATOM 109 CG2 VAL A 7 30.955 3.209 0.825 1.00 0.00 C ATOM 0 H VAL A 7 27.473 4.223 1.833 1.00 0.00 H new ATOM 0 HA VAL A 7 29.052 3.834 -0.660 1.00 0.00 H new ATOM 0 HB VAL A 7 29.340 3.765 2.147 1.00 0.00 H new ATOM 0 HG11 VAL A 7 29.991 1.437 2.668 1.00 0.00 H new ATOM 0 HG12 VAL A 7 28.268 1.550 2.235 1.00 0.00 H new ATOM 0 HG13 VAL A 7 29.443 0.924 1.054 1.00 0.00 H new ATOM 0 HG21 VAL A 7 31.649 2.981 1.634 1.00 0.00 H new ATOM 0 HG22 VAL A 7 31.122 2.518 -0.001 1.00 0.00 H new ATOM 0 HG23 VAL A 7 31.120 4.230 0.482 1.00 0.00 H new ATOM 119 N LYS A 8 26.607 1.944 -0.009 1.00 0.00 N ATOM 120 CA LYS A 8 25.836 0.735 -0.461 1.00 0.00 C ATOM 121 C LYS A 8 26.418 0.142 -1.754 1.00 0.00 C ATOM 122 O LYS A 8 26.685 0.846 -2.710 1.00 0.00 O ATOM 123 CB LYS A 8 24.404 1.237 -0.693 1.00 0.00 C ATOM 124 CG LYS A 8 24.405 2.413 -1.681 1.00 0.00 C ATOM 125 CD LYS A 8 23.787 1.971 -3.012 1.00 0.00 C ATOM 126 CE LYS A 8 23.546 3.195 -3.903 1.00 0.00 C ATOM 127 NZ LYS A 8 22.131 3.588 -3.648 1.00 0.00 N ATOM 0 H LYS A 8 26.072 2.595 0.566 1.00 0.00 H new ATOM 0 HA LYS A 8 25.880 -0.063 0.280 1.00 0.00 H new ATOM 0 HB2 LYS A 8 23.786 0.427 -1.081 1.00 0.00 H new ATOM 0 HB3 LYS A 8 23.963 1.549 0.254 1.00 0.00 H new ATOM 0 HG2 LYS A 8 23.841 3.249 -1.267 1.00 0.00 H new ATOM 0 HG3 LYS A 8 25.424 2.765 -1.841 1.00 0.00 H new ATOM 0 HD2 LYS A 8 24.450 1.268 -3.516 1.00 0.00 H new ATOM 0 HD3 LYS A 8 22.847 1.450 -2.832 1.00 0.00 H new ATOM 0 HE2 LYS A 8 24.231 4.005 -3.654 1.00 0.00 H new ATOM 0 HE3 LYS A 8 23.705 2.955 -4.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 21.893 4.421 -4.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 21.501 2.800 -3.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 22.011 3.818 -2.641 1.00 0.00 H new ATOM 141 N ARG A 9 26.623 -1.152 -1.779 1.00 0.00 N ATOM 142 CA ARG A 9 27.198 -1.806 -2.996 1.00 0.00 C ATOM 143 C ARG A 9 26.402 -1.414 -4.244 1.00 0.00 C ATOM 144 O ARG A 9 25.251 -1.032 -4.165 1.00 0.00 O ATOM 145 CB ARG A 9 27.066 -3.313 -2.758 1.00 0.00 C ATOM 146 CG ARG A 9 27.609 -3.682 -1.373 1.00 0.00 C ATOM 147 CD ARG A 9 26.500 -4.339 -0.542 1.00 0.00 C ATOM 148 NE ARG A 9 26.199 -5.625 -1.241 1.00 0.00 N ATOM 149 CZ ARG A 9 27.003 -6.650 -1.117 1.00 0.00 C ATOM 150 NH1 ARG A 9 28.079 -6.557 -0.384 1.00 0.00 N ATOM 151 NH2 ARG A 9 26.728 -7.770 -1.730 1.00 0.00 N ATOM 0 H ARG A 9 26.416 -1.786 -1.007 1.00 0.00 H new ATOM 0 HA ARG A 9 28.232 -1.502 -3.156 1.00 0.00 H new ATOM 0 HB2 ARG A 9 26.020 -3.610 -2.837 1.00 0.00 H new ATOM 0 HB3 ARG A 9 27.612 -3.859 -3.527 1.00 0.00 H new ATOM 0 HG2 ARG A 9 28.454 -4.363 -1.473 1.00 0.00 H new ATOM 0 HG3 ARG A 9 27.977 -2.790 -0.866 1.00 0.00 H new ATOM 0 HD2 ARG A 9 26.827 -4.515 0.483 1.00 0.00 H new ATOM 0 HD3 ARG A 9 25.617 -3.702 -0.490 1.00 0.00 H new ATOM 0 HE ARG A 9 25.362 -5.704 -1.818 1.00 0.00 H new ATOM 0 HH11 ARG A 9 28.296 -5.683 0.095 1.00 0.00 H new ATOM 0 HH12 ARG A 9 28.703 -7.358 -0.290 1.00 0.00 H new ATOM 0 HH21 ARG A 9 25.888 -7.844 -2.304 1.00 0.00 H new ATOM 0 HH22 ARG A 9 27.353 -8.570 -1.635 1.00 0.00 H new ATOM 165 N ILE A 10 27.004 -1.527 -5.396 1.00 0.00 N ATOM 166 CA ILE A 10 26.288 -1.183 -6.656 1.00 0.00 C ATOM 167 C ILE A 10 25.710 -2.459 -7.274 1.00 0.00 C ATOM 168 O ILE A 10 24.538 -2.528 -7.587 1.00 0.00 O ATOM 169 CB ILE A 10 27.352 -0.555 -7.559 1.00 0.00 C ATOM 170 CG1 ILE A 10 27.729 0.825 -6.996 1.00 0.00 C ATOM 171 CG2 ILE A 10 26.794 -0.408 -8.977 1.00 0.00 C ATOM 172 CD1 ILE A 10 28.467 1.647 -8.056 1.00 0.00 C ATOM 0 H ILE A 10 27.966 -1.844 -5.519 1.00 0.00 H new ATOM 0 HA ILE A 10 25.453 -0.499 -6.502 1.00 0.00 H new ATOM 0 HB ILE A 10 28.238 -1.189 -7.592 1.00 0.00 H new ATOM 0 HG12 ILE A 10 26.830 1.353 -6.677 1.00 0.00 H new ATOM 0 HG13 ILE A 10 28.359 0.706 -6.114 1.00 0.00 H new ATOM 0 HG21 ILE A 10 27.551 0.039 -9.621 1.00 0.00 H new ATOM 0 HG22 ILE A 10 26.522 -1.390 -9.364 1.00 0.00 H new ATOM 0 HG23 ILE A 10 25.911 0.231 -8.956 1.00 0.00 H new ATOM 0 HD11 ILE A 10 28.728 2.622 -7.644 1.00 0.00 H new ATOM 0 HD12 ILE A 10 29.376 1.124 -8.354 1.00 0.00 H new ATOM 0 HD13 ILE A 10 27.823 1.781 -8.925 1.00 0.00 H new ATOM 184 N CYS A 11 26.520 -3.476 -7.430 1.00 0.00 N ATOM 185 CA CYS A 11 26.013 -4.759 -8.003 1.00 0.00 C ATOM 186 C CYS A 11 26.125 -5.870 -6.959 1.00 0.00 C ATOM 187 O CYS A 11 26.391 -5.621 -5.799 1.00 0.00 O ATOM 188 CB CYS A 11 26.883 -5.055 -9.233 1.00 0.00 C ATOM 189 SG CYS A 11 28.400 -5.930 -8.760 1.00 0.00 S ATOM 0 H CYS A 11 27.510 -3.473 -7.185 1.00 0.00 H new ATOM 0 HA CYS A 11 24.963 -4.694 -8.288 1.00 0.00 H new ATOM 0 HB2 CYS A 11 26.319 -5.657 -9.946 1.00 0.00 H new ATOM 0 HB3 CYS A 11 27.139 -4.122 -9.735 1.00 0.00 H new ATOM 194 N ASP A 12 25.912 -7.089 -7.359 1.00 0.00 N ATOM 195 CA ASP A 12 25.985 -8.223 -6.387 1.00 0.00 C ATOM 196 C ASP A 12 27.415 -8.758 -6.272 1.00 0.00 C ATOM 197 O ASP A 12 27.632 -9.879 -5.854 1.00 0.00 O ATOM 198 CB ASP A 12 25.055 -9.290 -6.964 1.00 0.00 C ATOM 199 CG ASP A 12 23.602 -8.827 -6.823 1.00 0.00 C ATOM 200 OD1 ASP A 12 23.014 -9.092 -5.788 1.00 0.00 O ATOM 201 OD2 ASP A 12 23.105 -8.211 -7.752 1.00 0.00 O ATOM 0 H ASP A 12 25.690 -7.355 -8.318 1.00 0.00 H new ATOM 0 HA ASP A 12 25.693 -7.918 -5.382 1.00 0.00 H new ATOM 0 HB2 ASP A 12 25.292 -9.466 -8.013 1.00 0.00 H new ATOM 0 HB3 ASP A 12 25.200 -10.236 -6.441 1.00 0.00 H new ATOM 206 N LYS A 13 28.389 -7.970 -6.643 1.00 0.00 N ATOM 207 CA LYS A 13 29.804 -8.439 -6.560 1.00 0.00 C ATOM 208 C LYS A 13 30.646 -7.516 -5.667 1.00 0.00 C ATOM 209 O LYS A 13 31.782 -7.825 -5.360 1.00 0.00 O ATOM 210 CB LYS A 13 30.322 -8.411 -8.003 1.00 0.00 C ATOM 211 CG LYS A 13 29.445 -9.306 -8.889 1.00 0.00 C ATOM 212 CD LYS A 13 29.446 -10.738 -8.341 1.00 0.00 C ATOM 213 CE LYS A 13 29.532 -11.741 -9.497 1.00 0.00 C ATOM 214 NZ LYS A 13 28.171 -11.755 -10.103 1.00 0.00 N ATOM 0 H LYS A 13 28.267 -7.022 -7.000 1.00 0.00 H new ATOM 0 HA LYS A 13 29.870 -9.433 -6.118 1.00 0.00 H new ATOM 0 HB2 LYS A 13 30.314 -7.389 -8.382 1.00 0.00 H new ATOM 0 HB3 LYS A 13 31.356 -8.754 -8.034 1.00 0.00 H new ATOM 0 HG2 LYS A 13 28.427 -8.919 -8.918 1.00 0.00 H new ATOM 0 HG3 LYS A 13 29.819 -9.298 -9.913 1.00 0.00 H new ATOM 0 HD2 LYS A 13 30.289 -10.877 -7.665 1.00 0.00 H new ATOM 0 HD3 LYS A 13 28.540 -10.915 -7.761 1.00 0.00 H new ATOM 0 HE2 LYS A 13 30.284 -11.439 -10.225 1.00 0.00 H new ATOM 0 HE3 LYS A 13 29.814 -12.731 -9.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 27.769 -12.712 -10.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 27.559 -11.084 -9.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 28.234 -11.480 -11.104 1.00 0.00 H new ATOM 228 N CYS A 14 30.115 -6.396 -5.233 1.00 0.00 N ATOM 229 CA CYS A 14 30.931 -5.500 -4.352 1.00 0.00 C ATOM 230 C CYS A 14 30.905 -6.027 -2.919 1.00 0.00 C ATOM 231 O CYS A 14 29.928 -6.597 -2.476 1.00 0.00 O ATOM 232 CB CYS A 14 30.306 -4.096 -4.402 1.00 0.00 C ATOM 233 SG CYS A 14 29.002 -4.005 -5.649 1.00 0.00 S ATOM 0 H CYS A 14 29.172 -6.069 -5.445 1.00 0.00 H new ATOM 0 HA CYS A 14 31.966 -5.468 -4.692 1.00 0.00 H new ATOM 0 HB2 CYS A 14 29.896 -3.843 -3.424 1.00 0.00 H new ATOM 0 HB3 CYS A 14 31.078 -3.359 -4.625 1.00 0.00 H new ATOM 238 N LYS A 15 31.967 -5.828 -2.190 1.00 0.00 N ATOM 239 CA LYS A 15 32.011 -6.300 -0.781 1.00 0.00 C ATOM 240 C LYS A 15 32.238 -5.101 0.133 1.00 0.00 C ATOM 241 O LYS A 15 33.096 -4.276 -0.111 1.00 0.00 O ATOM 242 CB LYS A 15 33.184 -7.283 -0.724 1.00 0.00 C ATOM 243 CG LYS A 15 33.825 -7.272 0.668 1.00 0.00 C ATOM 244 CD LYS A 15 34.767 -8.473 0.807 1.00 0.00 C ATOM 245 CE LYS A 15 35.140 -8.670 2.280 1.00 0.00 C ATOM 246 NZ LYS A 15 36.046 -9.854 2.294 1.00 0.00 N ATOM 0 H LYS A 15 32.811 -5.355 -2.513 1.00 0.00 H new ATOM 0 HA LYS A 15 31.088 -6.782 -0.457 1.00 0.00 H new ATOM 0 HB2 LYS A 15 32.836 -8.288 -0.963 1.00 0.00 H new ATOM 0 HB3 LYS A 15 33.927 -7.016 -1.475 1.00 0.00 H new ATOM 0 HG2 LYS A 15 34.377 -6.344 0.818 1.00 0.00 H new ATOM 0 HG3 LYS A 15 33.053 -7.311 1.436 1.00 0.00 H new ATOM 0 HD2 LYS A 15 34.286 -9.371 0.421 1.00 0.00 H new ATOM 0 HD3 LYS A 15 35.666 -8.313 0.213 1.00 0.00 H new ATOM 0 HE2 LYS A 15 35.638 -7.788 2.682 1.00 0.00 H new ATOM 0 HE3 LYS A 15 34.255 -8.843 2.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 36.344 -10.051 3.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 35.543 -10.680 1.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 36.883 -9.657 1.709 1.00 0.00 H new ATOM 260 N VAL A 16 31.465 -4.995 1.173 1.00 0.00 N ATOM 261 CA VAL A 16 31.620 -3.840 2.102 1.00 0.00 C ATOM 262 C VAL A 16 32.406 -4.261 3.345 1.00 0.00 C ATOM 263 O VAL A 16 32.094 -5.248 3.984 1.00 0.00 O ATOM 264 CB VAL A 16 30.189 -3.424 2.464 1.00 0.00 C ATOM 265 CG1 VAL A 16 30.223 -2.260 3.459 1.00 0.00 C ATOM 266 CG2 VAL A 16 29.450 -2.982 1.194 1.00 0.00 C ATOM 0 H VAL A 16 30.731 -5.658 1.423 1.00 0.00 H new ATOM 0 HA VAL A 16 32.174 -3.016 1.652 1.00 0.00 H new ATOM 0 HB VAL A 16 29.672 -4.271 2.916 1.00 0.00 H new ATOM 0 HG11 VAL A 16 29.204 -1.968 3.713 1.00 0.00 H new ATOM 0 HG12 VAL A 16 30.748 -2.569 4.363 1.00 0.00 H new ATOM 0 HG13 VAL A 16 30.742 -1.413 3.010 1.00 0.00 H new ATOM 0 HG21 VAL A 16 28.433 -2.686 1.449 1.00 0.00 H new ATOM 0 HG22 VAL A 16 29.972 -2.137 0.745 1.00 0.00 H new ATOM 0 HG23 VAL A 16 29.420 -3.809 0.484 1.00 0.00 H new ATOM 276 N ILE A 17 33.425 -3.517 3.691 1.00 0.00 N ATOM 277 CA ILE A 17 34.238 -3.872 4.899 1.00 0.00 C ATOM 278 C ILE A 17 33.799 -3.022 6.091 1.00 0.00 C ATOM 279 O ILE A 17 33.152 -2.008 5.935 1.00 0.00 O ATOM 280 CB ILE A 17 35.697 -3.540 4.556 1.00 0.00 C ATOM 281 CG1 ILE A 17 36.176 -4.342 3.338 1.00 0.00 C ATOM 282 CG2 ILE A 17 36.591 -3.887 5.752 1.00 0.00 C ATOM 283 CD1 ILE A 17 35.478 -3.861 2.062 1.00 0.00 C ATOM 0 H ILE A 17 33.731 -2.681 3.193 1.00 0.00 H new ATOM 0 HA ILE A 17 34.112 -4.923 5.159 1.00 0.00 H new ATOM 0 HB ILE A 17 35.758 -2.477 4.324 1.00 0.00 H new ATOM 0 HG12 ILE A 17 37.255 -4.237 3.229 1.00 0.00 H new ATOM 0 HG13 ILE A 17 35.973 -5.402 3.492 1.00 0.00 H new ATOM 0 HG21 ILE A 17 37.628 -3.652 5.511 1.00 0.00 H new ATOM 0 HG22 ILE A 17 36.279 -3.306 6.620 1.00 0.00 H new ATOM 0 HG23 ILE A 17 36.502 -4.950 5.976 1.00 0.00 H new ATOM 0 HD11 ILE A 17 35.833 -4.443 1.212 1.00 0.00 H new ATOM 0 HD12 ILE A 17 34.401 -3.990 2.166 1.00 0.00 H new ATOM 0 HD13 ILE A 17 35.703 -2.807 1.899 1.00 0.00 H new ATOM 295 N ARG A 18 34.175 -3.422 7.275 1.00 0.00 N ATOM 296 CA ARG A 18 33.813 -2.641 8.492 1.00 0.00 C ATOM 297 C ARG A 18 35.061 -2.451 9.356 1.00 0.00 C ATOM 298 O ARG A 18 35.693 -3.406 9.766 1.00 0.00 O ATOM 299 CB ARG A 18 32.768 -3.489 9.220 1.00 0.00 C ATOM 300 CG ARG A 18 31.449 -3.458 8.438 1.00 0.00 C ATOM 301 CD ARG A 18 30.272 -3.618 9.405 1.00 0.00 C ATOM 302 NE ARG A 18 30.264 -5.064 9.767 1.00 0.00 N ATOM 303 CZ ARG A 18 29.584 -5.481 10.802 1.00 0.00 C ATOM 304 NH1 ARG A 18 28.910 -4.631 11.531 1.00 0.00 N ATOM 305 NH2 ARG A 18 29.577 -6.750 11.108 1.00 0.00 N ATOM 0 H ARG A 18 34.722 -4.264 7.453 1.00 0.00 H new ATOM 0 HA ARG A 18 33.423 -1.650 8.259 1.00 0.00 H new ATOM 0 HB2 ARG A 18 33.121 -4.516 9.318 1.00 0.00 H new ATOM 0 HB3 ARG A 18 32.614 -3.108 10.229 1.00 0.00 H new ATOM 0 HG2 ARG A 18 31.360 -2.518 7.894 1.00 0.00 H new ATOM 0 HG3 ARG A 18 31.435 -4.258 7.697 1.00 0.00 H new ATOM 0 HD2 ARG A 18 30.398 -2.991 10.288 1.00 0.00 H new ATOM 0 HD3 ARG A 18 29.333 -3.323 8.936 1.00 0.00 H new ATOM 0 HE ARG A 18 30.792 -5.731 9.204 1.00 0.00 H new ATOM 0 HH11 ARG A 18 28.914 -3.639 11.293 1.00 0.00 H new ATOM 0 HH12 ARG A 18 28.380 -4.959 12.338 1.00 0.00 H new ATOM 0 HH21 ARG A 18 30.102 -7.415 10.539 1.00 0.00 H new ATOM 0 HH22 ARG A 18 29.047 -7.077 11.916 1.00 0.00 H new ATOM 319 N ARG A 19 35.431 -1.225 9.616 1.00 0.00 N ATOM 320 CA ARG A 19 36.651 -0.964 10.435 1.00 0.00 C ATOM 321 C ARG A 19 36.385 0.151 11.453 1.00 0.00 C ATOM 322 O ARG A 19 35.254 0.445 11.780 1.00 0.00 O ATOM 323 CB ARG A 19 37.713 -0.527 9.418 1.00 0.00 C ATOM 324 CG ARG A 19 39.111 -0.904 9.925 1.00 0.00 C ATOM 325 CD ARG A 19 39.872 -1.655 8.827 1.00 0.00 C ATOM 326 NE ARG A 19 41.152 -2.079 9.466 1.00 0.00 N ATOM 327 CZ ARG A 19 42.061 -2.710 8.768 1.00 0.00 C ATOM 328 NH1 ARG A 19 41.854 -2.972 7.505 1.00 0.00 N ATOM 329 NH2 ARG A 19 43.177 -3.079 9.334 1.00 0.00 N ATOM 0 H ARG A 19 34.939 -0.391 9.296 1.00 0.00 H new ATOM 0 HA ARG A 19 36.963 -1.838 11.007 1.00 0.00 H new ATOM 0 HB2 ARG A 19 37.525 -1.004 8.456 1.00 0.00 H new ATOM 0 HB3 ARG A 19 37.653 0.549 9.257 1.00 0.00 H new ATOM 0 HG2 ARG A 19 39.659 -0.006 10.212 1.00 0.00 H new ATOM 0 HG3 ARG A 19 39.030 -1.527 10.816 1.00 0.00 H new ATOM 0 HD2 ARG A 19 39.305 -2.515 8.471 1.00 0.00 H new ATOM 0 HD3 ARG A 19 40.055 -1.014 7.964 1.00 0.00 H new ATOM 0 HE ARG A 19 41.319 -1.876 10.452 1.00 0.00 H new ATOM 0 HH11 ARG A 19 40.982 -2.684 7.061 1.00 0.00 H new ATOM 0 HH12 ARG A 19 42.564 -3.464 6.963 1.00 0.00 H new ATOM 0 HH21 ARG A 19 43.340 -2.876 10.320 1.00 0.00 H new ATOM 0 HH22 ARG A 19 43.886 -3.571 8.790 1.00 0.00 H new ATOM 343 N HIS A 20 37.432 0.759 11.952 1.00 0.00 N ATOM 344 CA HIS A 20 37.292 1.858 12.961 1.00 0.00 C ATOM 345 C HIS A 20 36.224 2.875 12.540 1.00 0.00 C ATOM 346 O HIS A 20 36.528 3.893 11.947 1.00 0.00 O ATOM 347 CB HIS A 20 38.663 2.528 12.983 1.00 0.00 C ATOM 348 CG HIS A 20 39.726 1.508 13.293 1.00 0.00 C ATOM 349 ND1 HIS A 20 39.643 0.659 14.385 1.00 0.00 N ATOM 350 CD2 HIS A 20 40.901 1.189 12.660 1.00 0.00 C ATOM 351 CE1 HIS A 20 40.738 -0.122 14.376 1.00 0.00 C ATOM 352 NE2 HIS A 20 41.539 0.160 13.345 1.00 0.00 N ATOM 0 H HIS A 20 38.395 0.537 11.699 1.00 0.00 H new ATOM 0 HA HIS A 20 36.984 1.474 13.934 1.00 0.00 H new ATOM 0 HB2 HIS A 20 38.865 2.995 12.019 1.00 0.00 H new ATOM 0 HB3 HIS A 20 38.678 3.321 13.731 1.00 0.00 H new ATOM 0 HD2 HIS A 20 41.274 1.665 11.765 1.00 0.00 H new ATOM 0 HE1 HIS A 20 40.944 -0.884 15.113 1.00 0.00 H new ATOM 0 HE2 HIS A 20 42.427 -0.284 13.110 1.00 0.00 H new ATOM 360 N GLY A 21 34.982 2.608 12.844 1.00 0.00 N ATOM 361 CA GLY A 21 33.891 3.553 12.466 1.00 0.00 C ATOM 362 C GLY A 21 33.958 3.852 10.966 1.00 0.00 C ATOM 363 O GLY A 21 33.310 4.758 10.481 1.00 0.00 O ATOM 0 H GLY A 21 34.675 1.772 13.340 1.00 0.00 H new ATOM 0 HA2 GLY A 21 32.922 3.122 12.717 1.00 0.00 H new ATOM 0 HA3 GLY A 21 33.986 4.478 13.035 1.00 0.00 H new ATOM 367 N ARG A 22 34.743 3.104 10.229 1.00 0.00 N ATOM 368 CA ARG A 22 34.854 3.355 8.759 1.00 0.00 C ATOM 369 C ARG A 22 34.443 2.114 7.964 1.00 0.00 C ATOM 370 O ARG A 22 34.767 1.000 8.322 1.00 0.00 O ATOM 371 CB ARG A 22 36.331 3.676 8.519 1.00 0.00 C ATOM 372 CG ARG A 22 36.553 5.185 8.644 1.00 0.00 C ATOM 373 CD ARG A 22 37.831 5.580 7.900 1.00 0.00 C ATOM 374 NE ARG A 22 37.945 7.054 8.097 1.00 0.00 N ATOM 375 CZ ARG A 22 38.415 7.536 9.220 1.00 0.00 C ATOM 376 NH1 ARG A 22 38.801 6.728 10.172 1.00 0.00 N ATOM 377 NH2 ARG A 22 38.494 8.828 9.389 1.00 0.00 N ATOM 0 H ARG A 22 35.310 2.333 10.581 1.00 0.00 H new ATOM 0 HA ARG A 22 34.199 4.164 8.436 1.00 0.00 H new ATOM 0 HB2 ARG A 22 36.951 3.145 9.241 1.00 0.00 H new ATOM 0 HB3 ARG A 22 36.632 3.334 7.529 1.00 0.00 H new ATOM 0 HG2 ARG A 22 35.699 5.724 8.232 1.00 0.00 H new ATOM 0 HG3 ARG A 22 36.630 5.465 9.694 1.00 0.00 H new ATOM 0 HD2 ARG A 22 38.700 5.059 8.302 1.00 0.00 H new ATOM 0 HD3 ARG A 22 37.768 5.326 6.842 1.00 0.00 H new ATOM 0 HE ARG A 22 37.656 7.689 7.354 1.00 0.00 H new ATOM 0 HH11 ARG A 22 38.737 5.718 10.041 1.00 0.00 H new ATOM 0 HH12 ARG A 22 39.167 7.107 11.046 1.00 0.00 H new ATOM 0 HH21 ARG A 22 38.190 9.459 8.647 1.00 0.00 H new ATOM 0 HH22 ARG A 22 38.860 9.207 10.263 1.00 0.00 H new ATOM 391 N VAL A 23 33.742 2.307 6.878 1.00 0.00 N ATOM 392 CA VAL A 23 33.313 1.149 6.037 1.00 0.00 C ATOM 393 C VAL A 23 33.901 1.305 4.631 1.00 0.00 C ATOM 394 O VAL A 23 34.250 2.392 4.216 1.00 0.00 O ATOM 395 CB VAL A 23 31.780 1.218 5.997 1.00 0.00 C ATOM 396 CG1 VAL A 23 31.210 -0.097 5.462 1.00 0.00 C ATOM 397 CG2 VAL A 23 31.237 1.463 7.409 1.00 0.00 C ATOM 0 H VAL A 23 33.446 3.221 6.535 1.00 0.00 H new ATOM 0 HA VAL A 23 33.653 0.192 6.432 1.00 0.00 H new ATOM 0 HB VAL A 23 31.482 2.036 5.341 1.00 0.00 H new ATOM 0 HG11 VAL A 23 30.122 -0.039 5.437 1.00 0.00 H new ATOM 0 HG12 VAL A 23 31.587 -0.274 4.455 1.00 0.00 H new ATOM 0 HG13 VAL A 23 31.515 -0.917 6.112 1.00 0.00 H new ATOM 0 HG21 VAL A 23 30.149 1.511 7.377 1.00 0.00 H new ATOM 0 HG22 VAL A 23 31.545 0.648 8.064 1.00 0.00 H new ATOM 0 HG23 VAL A 23 31.631 2.404 7.792 1.00 0.00 H new ATOM 407 N TYR A 24 34.021 0.230 3.901 1.00 0.00 N ATOM 408 CA TYR A 24 34.596 0.320 2.521 1.00 0.00 C ATOM 409 C TYR A 24 33.722 -0.434 1.528 1.00 0.00 C ATOM 410 O TYR A 24 32.759 -1.073 1.895 1.00 0.00 O ATOM 411 CB TYR A 24 35.952 -0.379 2.588 1.00 0.00 C ATOM 412 CG TYR A 24 36.926 0.402 3.425 1.00 0.00 C ATOM 413 CD1 TYR A 24 36.755 0.493 4.812 1.00 0.00 C ATOM 414 CD2 TYR A 24 38.018 1.013 2.809 1.00 0.00 C ATOM 415 CE1 TYR A 24 37.680 1.198 5.583 1.00 0.00 C ATOM 416 CE2 TYR A 24 38.944 1.725 3.580 1.00 0.00 C ATOM 417 CZ TYR A 24 38.775 1.816 4.968 1.00 0.00 C ATOM 418 OH TYR A 24 39.691 2.510 5.731 1.00 0.00 O ATOM 0 H TYR A 24 33.747 -0.707 4.196 1.00 0.00 H new ATOM 0 HA TYR A 24 34.668 1.359 2.200 1.00 0.00 H new ATOM 0 HB2 TYR A 24 35.829 -1.378 3.006 1.00 0.00 H new ATOM 0 HB3 TYR A 24 36.351 -0.502 1.581 1.00 0.00 H new ATOM 0 HD1 TYR A 24 35.908 0.018 5.284 1.00 0.00 H new ATOM 0 HD2 TYR A 24 38.149 0.937 1.740 1.00 0.00 H new ATOM 0 HE1 TYR A 24 37.551 1.267 6.653 1.00 0.00 H new ATOM 0 HE2 TYR A 24 39.788 2.204 3.106 1.00 0.00 H new ATOM 0 HH TYR A 24 40.597 2.213 5.505 1.00 0.00 H new ATOM 428 N VAL A 25 34.090 -0.388 0.275 1.00 0.00 N ATOM 429 CA VAL A 25 33.336 -1.124 -0.778 1.00 0.00 C ATOM 430 C VAL A 25 34.323 -1.587 -1.843 1.00 0.00 C ATOM 431 O VAL A 25 34.855 -0.787 -2.586 1.00 0.00 O ATOM 432 CB VAL A 25 32.355 -0.119 -1.386 1.00 0.00 C ATOM 433 CG1 VAL A 25 31.621 -0.768 -2.573 1.00 0.00 C ATOM 434 CG2 VAL A 25 31.341 0.310 -0.327 1.00 0.00 C ATOM 0 H VAL A 25 34.895 0.137 -0.067 1.00 0.00 H new ATOM 0 HA VAL A 25 32.811 -1.992 -0.379 1.00 0.00 H new ATOM 0 HB VAL A 25 32.903 0.756 -1.736 1.00 0.00 H new ATOM 0 HG11 VAL A 25 30.923 -0.051 -3.005 1.00 0.00 H new ATOM 0 HG12 VAL A 25 32.346 -1.069 -3.329 1.00 0.00 H new ATOM 0 HG13 VAL A 25 31.073 -1.645 -2.227 1.00 0.00 H new ATOM 0 HG21 VAL A 25 30.643 1.026 -0.761 1.00 0.00 H new ATOM 0 HG22 VAL A 25 30.793 -0.563 0.027 1.00 0.00 H new ATOM 0 HG23 VAL A 25 31.863 0.774 0.510 1.00 0.00 H new ATOM 444 N ILE A 26 34.585 -2.859 -1.920 1.00 0.00 N ATOM 445 CA ILE A 26 35.548 -3.350 -2.937 1.00 0.00 C ATOM 446 C ILE A 26 34.877 -4.405 -3.825 1.00 0.00 C ATOM 447 O ILE A 26 34.347 -5.390 -3.351 1.00 0.00 O ATOM 448 CB ILE A 26 36.712 -3.930 -2.122 1.00 0.00 C ATOM 449 CG1 ILE A 26 36.204 -5.041 -1.190 1.00 0.00 C ATOM 450 CG2 ILE A 26 37.353 -2.810 -1.283 1.00 0.00 C ATOM 451 CD1 ILE A 26 37.368 -5.597 -0.364 1.00 0.00 C ATOM 0 H ILE A 26 34.175 -3.578 -1.324 1.00 0.00 H new ATOM 0 HA ILE A 26 35.896 -2.570 -3.614 1.00 0.00 H new ATOM 0 HB ILE A 26 37.451 -4.350 -2.804 1.00 0.00 H new ATOM 0 HG12 ILE A 26 35.431 -4.649 -0.529 1.00 0.00 H new ATOM 0 HG13 ILE A 26 35.747 -5.839 -1.775 1.00 0.00 H new ATOM 0 HG21 ILE A 26 38.180 -3.218 -0.703 1.00 0.00 H new ATOM 0 HG22 ILE A 26 37.725 -2.027 -1.944 1.00 0.00 H new ATOM 0 HG23 ILE A 26 36.608 -2.390 -0.607 1.00 0.00 H new ATOM 0 HD11 ILE A 26 37.003 -6.384 0.295 1.00 0.00 H new ATOM 0 HD12 ILE A 26 38.126 -6.006 -1.032 1.00 0.00 H new ATOM 0 HD13 ILE A 26 37.805 -4.797 0.234 1.00 0.00 H new ATOM 463 N CYS A 27 34.878 -4.184 -5.114 1.00 0.00 N ATOM 464 CA CYS A 27 34.227 -5.149 -6.054 1.00 0.00 C ATOM 465 C CYS A 27 35.214 -5.567 -7.144 1.00 0.00 C ATOM 466 O CYS A 27 36.114 -4.825 -7.485 1.00 0.00 O ATOM 467 CB CYS A 27 33.076 -4.351 -6.674 1.00 0.00 C ATOM 468 SG CYS A 27 31.930 -5.463 -7.534 1.00 0.00 S ATOM 0 H CYS A 27 35.304 -3.372 -5.560 1.00 0.00 H new ATOM 0 HA CYS A 27 33.892 -6.058 -5.555 1.00 0.00 H new ATOM 0 HB2 CYS A 27 32.545 -3.801 -5.896 1.00 0.00 H new ATOM 0 HB3 CYS A 27 33.471 -3.613 -7.373 1.00 0.00 H new ATOM 473 N GLU A 28 35.036 -6.734 -7.716 1.00 0.00 N ATOM 474 CA GLU A 28 35.952 -7.172 -8.813 1.00 0.00 C ATOM 475 C GLU A 28 36.029 -6.042 -9.837 1.00 0.00 C ATOM 476 O GLU A 28 37.061 -5.765 -10.417 1.00 0.00 O ATOM 477 CB GLU A 28 35.285 -8.413 -9.415 1.00 0.00 C ATOM 478 CG GLU A 28 36.116 -8.931 -10.594 1.00 0.00 C ATOM 479 CD GLU A 28 37.399 -9.582 -10.071 1.00 0.00 C ATOM 480 OE1 GLU A 28 37.318 -10.700 -9.589 1.00 0.00 O ATOM 481 OE2 GLU A 28 38.439 -8.950 -10.159 1.00 0.00 O ATOM 0 H GLU A 28 34.301 -7.397 -7.472 1.00 0.00 H new ATOM 0 HA GLU A 28 36.964 -7.398 -8.478 1.00 0.00 H new ATOM 0 HB2 GLU A 28 35.190 -9.190 -8.656 1.00 0.00 H new ATOM 0 HB3 GLU A 28 34.277 -8.169 -9.749 1.00 0.00 H new ATOM 0 HG2 GLU A 28 35.538 -9.654 -11.170 1.00 0.00 H new ATOM 0 HG3 GLU A 28 36.361 -8.110 -11.268 1.00 0.00 H new ATOM 488 N ASN A 29 34.926 -5.371 -10.022 1.00 0.00 N ATOM 489 CA ASN A 29 34.868 -4.222 -10.958 1.00 0.00 C ATOM 490 C ASN A 29 35.256 -2.958 -10.174 1.00 0.00 C ATOM 491 O ASN A 29 34.667 -2.664 -9.150 1.00 0.00 O ATOM 492 CB ASN A 29 33.404 -4.203 -11.417 1.00 0.00 C ATOM 493 CG ASN A 29 32.991 -2.810 -11.888 1.00 0.00 C ATOM 494 OD1 ASN A 29 33.821 -1.990 -12.229 1.00 0.00 O ATOM 495 ND2 ASN A 29 31.721 -2.515 -11.929 1.00 0.00 N ATOM 0 H ASN A 29 34.045 -5.579 -9.551 1.00 0.00 H new ATOM 0 HA ASN A 29 35.541 -4.283 -11.813 1.00 0.00 H new ATOM 0 HB2 ASN A 29 33.265 -4.920 -12.226 1.00 0.00 H new ATOM 0 HB3 ASN A 29 32.759 -4.519 -10.597 1.00 0.00 H new ATOM 0 HD21 ASN A 29 31.421 -1.594 -12.248 1.00 0.00 H new ATOM 0 HD22 ASN A 29 31.027 -3.206 -11.642 1.00 0.00 H new ATOM 502 N PRO A 30 36.261 -2.270 -10.656 1.00 0.00 N ATOM 503 CA PRO A 30 36.762 -1.056 -9.953 1.00 0.00 C ATOM 504 C PRO A 30 35.719 0.064 -9.923 1.00 0.00 C ATOM 505 O PRO A 30 35.836 1.000 -9.159 1.00 0.00 O ATOM 506 CB PRO A 30 37.991 -0.654 -10.769 1.00 0.00 C ATOM 507 CG PRO A 30 37.761 -1.248 -12.119 1.00 0.00 C ATOM 508 CD PRO A 30 37.012 -2.533 -11.890 1.00 0.00 C ATOM 0 HA PRO A 30 36.990 -1.247 -8.904 1.00 0.00 H new ATOM 0 HB2 PRO A 30 38.092 0.430 -10.825 1.00 0.00 H new ATOM 0 HB3 PRO A 30 38.907 -1.036 -10.319 1.00 0.00 H new ATOM 0 HG2 PRO A 30 37.187 -0.570 -12.750 1.00 0.00 H new ATOM 0 HG3 PRO A 30 38.706 -1.434 -12.629 1.00 0.00 H new ATOM 0 HD2 PRO A 30 36.349 -2.766 -12.723 1.00 0.00 H new ATOM 0 HD3 PRO A 30 37.690 -3.379 -11.776 1.00 0.00 H new ATOM 516 N LYS A 31 34.701 -0.015 -10.732 1.00 0.00 N ATOM 517 CA LYS A 31 33.670 1.063 -10.720 1.00 0.00 C ATOM 518 C LYS A 31 32.902 1.061 -9.391 1.00 0.00 C ATOM 519 O LYS A 31 32.274 2.039 -9.035 1.00 0.00 O ATOM 520 CB LYS A 31 32.727 0.741 -11.883 1.00 0.00 C ATOM 521 CG LYS A 31 33.500 0.774 -13.208 1.00 0.00 C ATOM 522 CD LYS A 31 33.748 2.227 -13.629 1.00 0.00 C ATOM 523 CE LYS A 31 32.565 2.734 -14.460 1.00 0.00 C ATOM 524 NZ LYS A 31 32.853 4.176 -14.701 1.00 0.00 N ATOM 0 H LYS A 31 34.537 -0.771 -11.396 1.00 0.00 H new ATOM 0 HA LYS A 31 34.119 2.051 -10.824 1.00 0.00 H new ATOM 0 HB2 LYS A 31 32.279 -0.242 -11.738 1.00 0.00 H new ATOM 0 HB3 LYS A 31 31.910 1.462 -11.911 1.00 0.00 H new ATOM 0 HG2 LYS A 31 34.450 0.250 -13.099 1.00 0.00 H new ATOM 0 HG3 LYS A 31 32.936 0.253 -13.982 1.00 0.00 H new ATOM 0 HD2 LYS A 31 33.880 2.854 -12.747 1.00 0.00 H new ATOM 0 HD3 LYS A 31 34.668 2.295 -14.209 1.00 0.00 H new ATOM 0 HE2 LYS A 31 32.479 2.187 -15.399 1.00 0.00 H new ATOM 0 HE3 LYS A 31 31.623 2.603 -13.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 32.086 4.594 -15.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 32.923 4.673 -13.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 33.752 4.269 -15.216 1.00 0.00 H new ATOM 538 N HIS A 32 32.937 -0.028 -8.657 1.00 0.00 N ATOM 539 CA HIS A 32 32.192 -0.074 -7.356 1.00 0.00 C ATOM 540 C HIS A 32 33.150 0.095 -6.176 1.00 0.00 C ATOM 541 O HIS A 32 32.808 -0.206 -5.052 1.00 0.00 O ATOM 542 CB HIS A 32 31.516 -1.453 -7.309 1.00 0.00 C ATOM 543 CG HIS A 32 30.653 -1.621 -8.526 1.00 0.00 C ATOM 544 ND1 HIS A 32 29.965 -2.794 -8.821 1.00 0.00 N ATOM 545 CD2 HIS A 32 30.388 -0.767 -9.561 1.00 0.00 C ATOM 546 CE1 HIS A 32 29.338 -2.607 -9.999 1.00 0.00 C ATOM 547 NE2 HIS A 32 29.566 -1.390 -10.491 1.00 0.00 N ATOM 0 H HIS A 32 33.444 -0.879 -8.899 1.00 0.00 H new ATOM 0 HA HIS A 32 31.463 0.733 -7.286 1.00 0.00 H new ATOM 0 HB2 HIS A 32 32.270 -2.240 -7.271 1.00 0.00 H new ATOM 0 HB3 HIS A 32 30.913 -1.545 -6.405 1.00 0.00 H new ATOM 0 HD2 HIS A 32 30.763 0.243 -9.643 1.00 0.00 H new ATOM 0 HE1 HIS A 32 28.726 -3.352 -10.485 1.00 0.00 H new ATOM 0 HE2 HIS A 32 29.212 -0.999 -11.364 1.00 0.00 H new ATOM 555 N LYS A 33 34.341 0.581 -6.410 1.00 0.00 N ATOM 556 CA LYS A 33 35.288 0.771 -5.274 1.00 0.00 C ATOM 557 C LYS A 33 34.947 2.073 -4.537 1.00 0.00 C ATOM 558 O LYS A 33 34.995 3.150 -5.101 1.00 0.00 O ATOM 559 CB LYS A 33 36.688 0.826 -5.900 1.00 0.00 C ATOM 560 CG LYS A 33 36.863 2.117 -6.703 1.00 0.00 C ATOM 561 CD LYS A 33 38.086 1.989 -7.613 1.00 0.00 C ATOM 562 CE LYS A 33 38.027 3.060 -8.708 1.00 0.00 C ATOM 563 NZ LYS A 33 39.427 3.554 -8.841 1.00 0.00 N ATOM 0 H LYS A 33 34.695 0.852 -7.327 1.00 0.00 H new ATOM 0 HA LYS A 33 35.230 -0.034 -4.541 1.00 0.00 H new ATOM 0 HB2 LYS A 33 37.445 0.771 -5.118 1.00 0.00 H new ATOM 0 HB3 LYS A 33 36.837 -0.037 -6.549 1.00 0.00 H new ATOM 0 HG2 LYS A 33 35.971 2.311 -7.299 1.00 0.00 H new ATOM 0 HG3 LYS A 33 36.986 2.964 -6.028 1.00 0.00 H new ATOM 0 HD2 LYS A 33 39.000 2.102 -7.029 1.00 0.00 H new ATOM 0 HD3 LYS A 33 38.115 0.996 -8.062 1.00 0.00 H new ATOM 0 HE2 LYS A 33 37.664 2.644 -9.648 1.00 0.00 H new ATOM 0 HE3 LYS A 33 37.348 3.867 -8.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 39.467 4.291 -9.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 39.743 3.951 -7.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 40.049 2.765 -9.109 1.00 0.00 H new ATOM 577 N GLN A 34 34.587 1.982 -3.284 1.00 0.00 N ATOM 578 CA GLN A 34 34.231 3.216 -2.514 1.00 0.00 C ATOM 579 C GLN A 34 34.690 3.090 -1.060 1.00 0.00 C ATOM 580 O GLN A 34 35.049 2.024 -0.596 1.00 0.00 O ATOM 581 CB GLN A 34 32.697 3.327 -2.562 1.00 0.00 C ATOM 582 CG GLN A 34 32.161 2.881 -3.926 1.00 0.00 C ATOM 583 CD GLN A 34 30.657 3.160 -4.002 1.00 0.00 C ATOM 584 OE1 GLN A 34 29.878 2.735 -3.044 1.00 0.00 O flip ATOM 585 NE2 GLN A 34 30.186 3.769 -4.941 1.00 0.00 N flip ATOM 0 H GLN A 34 34.523 1.110 -2.759 1.00 0.00 H new ATOM 0 HA GLN A 34 34.715 4.095 -2.941 1.00 0.00 H new ATOM 0 HB2 GLN A 34 32.259 2.713 -1.776 1.00 0.00 H new ATOM 0 HB3 GLN A 34 32.396 4.356 -2.367 1.00 0.00 H new ATOM 0 HG2 GLN A 34 32.681 3.412 -4.724 1.00 0.00 H new ATOM 0 HG3 GLN A 34 32.352 1.818 -4.073 1.00 0.00 H new ATOM 0 HE21 GLN A 34 30.794 4.101 -5.690 1.00 0.00 H new ATOM 0 HE22 GLN A 34 29.183 3.948 -4.981 1.00 0.00 H new ATOM 594 N ARG A 35 34.659 4.178 -0.339 1.00 0.00 N ATOM 595 CA ARG A 35 35.066 4.158 1.094 1.00 0.00 C ATOM 596 C ARG A 35 34.093 5.023 1.898 1.00 0.00 C ATOM 597 O ARG A 35 34.051 6.230 1.744 1.00 0.00 O ATOM 598 CB ARG A 35 36.490 4.745 1.122 1.00 0.00 C ATOM 599 CG ARG A 35 36.719 5.580 2.400 1.00 0.00 C ATOM 600 CD ARG A 35 37.824 4.951 3.249 1.00 0.00 C ATOM 601 NE ARG A 35 39.068 5.667 2.851 1.00 0.00 N ATOM 602 CZ ARG A 35 40.167 5.516 3.541 1.00 0.00 C ATOM 603 NH1 ARG A 35 40.193 4.712 4.569 1.00 0.00 N ATOM 604 NH2 ARG A 35 41.245 6.165 3.196 1.00 0.00 N ATOM 0 H ARG A 35 34.365 5.091 -0.687 1.00 0.00 H new ATOM 0 HA ARG A 35 35.050 3.159 1.529 1.00 0.00 H new ATOM 0 HB2 ARG A 35 37.221 3.938 1.075 1.00 0.00 H new ATOM 0 HB3 ARG A 35 36.647 5.369 0.242 1.00 0.00 H new ATOM 0 HG2 ARG A 35 36.992 6.601 2.132 1.00 0.00 H new ATOM 0 HG3 ARG A 35 35.796 5.638 2.976 1.00 0.00 H new ATOM 0 HD2 ARG A 35 37.622 5.072 4.313 1.00 0.00 H new ATOM 0 HD3 ARG A 35 37.907 3.881 3.060 1.00 0.00 H new ATOM 0 HE ARG A 35 39.062 6.279 2.035 1.00 0.00 H new ATOM 0 HH11 ARG A 35 39.353 4.199 4.836 1.00 0.00 H new ATOM 0 HH12 ARG A 35 41.053 4.597 5.105 1.00 0.00 H new ATOM 0 HH21 ARG A 35 41.229 6.789 2.389 1.00 0.00 H new ATOM 0 HH22 ARG A 35 42.104 6.049 3.733 1.00 0.00 H new ATOM 618 N GLN A 36 33.318 4.423 2.756 1.00 0.00 N ATOM 619 CA GLN A 36 32.365 5.222 3.576 1.00 0.00 C ATOM 620 C GLN A 36 33.149 6.071 4.583 1.00 0.00 C ATOM 621 O GLN A 36 33.518 5.610 5.646 1.00 0.00 O ATOM 622 CB GLN A 36 31.496 4.192 4.295 1.00 0.00 C ATOM 623 CG GLN A 36 30.136 4.808 4.617 1.00 0.00 C ATOM 624 CD GLN A 36 29.229 3.744 5.242 1.00 0.00 C ATOM 625 OE1 GLN A 36 29.199 3.584 6.444 1.00 0.00 O ATOM 626 NE2 GLN A 36 28.482 3.004 4.471 1.00 0.00 N ATOM 0 H GLN A 36 33.302 3.417 2.925 1.00 0.00 H new ATOM 0 HA GLN A 36 31.761 5.903 2.977 1.00 0.00 H new ATOM 0 HB2 GLN A 36 31.368 3.309 3.669 1.00 0.00 H new ATOM 0 HB3 GLN A 36 31.985 3.865 5.212 1.00 0.00 H new ATOM 0 HG2 GLN A 36 30.258 5.646 5.303 1.00 0.00 H new ATOM 0 HG3 GLN A 36 29.680 5.203 3.709 1.00 0.00 H new ATOM 0 HE21 GLN A 36 28.505 3.136 3.460 1.00 0.00 H new ATOM 0 HE22 GLN A 36 27.875 2.293 4.879 1.00 0.00 H new ATOM 635 N GLY A 37 33.417 7.303 4.245 1.00 0.00 N ATOM 636 CA GLY A 37 34.189 8.188 5.166 1.00 0.00 C ATOM 637 C GLY A 37 35.687 7.932 4.980 1.00 0.00 C ATOM 638 O GLY A 37 36.245 8.465 4.035 1.00 0.00 O ATOM 639 OXT GLY A 37 36.250 7.208 5.784 1.00 0.00 O ATOM 0 H GLY A 37 33.133 7.737 3.367 1.00 0.00 H new ATOM 0 HA2 GLY A 37 33.959 9.234 4.961 1.00 0.00 H new ATOM 0 HA3 GLY A 37 33.901 7.995 6.200 1.00 0.00 H new TER 643 GLY A 37 HETATM 644 ZN ZN A 38 29.854 -4.476 -7.730 1.00 0.00 ZN