USER MOD reduce.3.24.130724 H: found=0, std=0, add=550, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 547 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 Single : A 1 GLY N :NH3+ -138:sc= -0.0241 (180deg=-0.777) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 170:sc= -0.47 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 146:sc= -0.219 (180deg=-0.857) USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 HIS : no HD1:sc= -0.0431 X(o=-0.043,f=-0.22) USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.696 USER MOD Single : A 27 SER OG : rot -80:sc= -0.802 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -0.0894 K(o=-0.089,f=-0.67) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= -0.0208 X(o=-0.021,f=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -0.212 X(o=-0.21,f=0) USER MOD Single : A 59 LYS NZ :NH3+ -148:sc= 0.145 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -0.853 K(o=-0.85,f=-7.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.246 -4.955 -0.679 1.00 35.44 N ATOM 2 CA GLY A 1 -4.881 -4.582 -0.999 1.00 31.31 C ATOM 3 C GLY A 1 -4.316 -3.563 -0.030 1.00 53.40 C ATOM 4 O GLY A 1 -4.160 -2.385 -0.355 1.00 74.43 O ATOM 0 H1 GLY A 1 -6.361 -5.982 -0.792 1.00 35.44 H new ATOM 0 H2 GLY A 1 -6.457 -4.689 0.304 1.00 35.44 H new ATOM 0 H3 GLY A 1 -6.900 -4.461 -1.319 1.00 35.44 H new ATOM 0 HA2 GLY A 1 -4.253 -5.473 -0.992 1.00 31.31 H new ATOM 0 HA3 GLY A 1 -4.846 -4.176 -2.010 1.00 31.31 H new ATOM 8 N PRO A 2 -4.000 -4.014 1.193 1.00 74.11 N ATOM 9 CA PRO A 2 -3.446 -3.148 2.238 1.00 60.13 C ATOM 10 C PRO A 2 -2.021 -2.704 1.927 1.00 42.15 C ATOM 11 O PRO A 2 -1.653 -1.555 2.169 1.00 23.12 O ATOM 12 CB PRO A 2 -3.469 -4.036 3.484 1.00 71.40 C ATOM 13 CG PRO A 2 -3.418 -5.429 2.958 1.00 70.15 C ATOM 14 CD PRO A 2 -4.160 -5.405 1.650 1.00 43.13 C ATOM 0 HA PRO A 2 -4.015 -2.224 2.346 1.00 60.13 H new ATOM 0 HB2 PRO A 2 -2.620 -3.827 4.135 1.00 71.40 H new ATOM 0 HB3 PRO A 2 -4.371 -3.868 4.073 1.00 71.40 H new ATOM 0 HG2 PRO A 2 -2.388 -5.755 2.816 1.00 70.15 H new ATOM 0 HG3 PRO A 2 -3.880 -6.127 3.656 1.00 70.15 H new ATOM 0 HD2 PRO A 2 -3.739 -6.113 0.936 1.00 43.13 H new ATOM 0 HD3 PRO A 2 -5.210 -5.668 1.779 1.00 43.13 H new ATOM 22 N GLU A 3 -1.224 -3.622 1.388 1.00 40.42 N ATOM 23 CA GLU A 3 0.161 -3.323 1.044 1.00 3.32 C ATOM 24 C GLU A 3 0.382 -3.421 -0.463 1.00 35.34 C ATOM 25 O GLU A 3 1.461 -3.796 -0.921 1.00 30.21 O ATOM 26 CB GLU A 3 1.108 -4.279 1.773 1.00 43.43 C ATOM 27 CG GLU A 3 0.879 -5.741 1.430 1.00 21.13 C ATOM 28 CD GLU A 3 0.843 -6.629 2.659 1.00 63.22 C ATOM 29 OE1 GLU A 3 1.867 -6.696 3.372 1.00 55.30 O ATOM 30 OE2 GLU A 3 -0.207 -7.258 2.907 1.00 43.40 O ATOM 0 H GLU A 3 -1.514 -4.578 1.180 1.00 40.42 H new ATOM 0 HA GLU A 3 0.374 -2.301 1.358 1.00 3.32 H new ATOM 0 HB2 GLU A 3 2.137 -4.014 1.529 1.00 43.43 H new ATOM 0 HB3 GLU A 3 0.990 -4.144 2.848 1.00 43.43 H new ATOM 0 HG2 GLU A 3 -0.061 -5.840 0.887 1.00 21.13 H new ATOM 0 HG3 GLU A 3 1.670 -6.082 0.763 1.00 21.13 H new ATOM 37 N LYS A 4 -0.650 -3.082 -1.229 1.00 21.54 N ATOM 38 CA LYS A 4 -0.571 -3.131 -2.684 1.00 34.22 C ATOM 39 C LYS A 4 -0.546 -1.725 -3.275 1.00 20.23 C ATOM 40 O LYS A 4 -0.859 -0.750 -2.593 1.00 12.21 O ATOM 41 CB LYS A 4 -1.757 -3.914 -3.253 1.00 40.20 C ATOM 42 CG LYS A 4 -1.361 -5.225 -3.909 1.00 74.32 C ATOM 43 CD LYS A 4 -0.685 -4.996 -5.250 1.00 72.05 C ATOM 44 CE LYS A 4 -0.668 -6.264 -6.090 1.00 75.22 C ATOM 45 NZ LYS A 4 -1.828 -6.327 -7.022 1.00 60.54 N ATOM 0 H LYS A 4 -1.551 -2.770 -0.866 1.00 21.54 H new ATOM 0 HA LYS A 4 0.355 -3.637 -2.956 1.00 34.22 H new ATOM 0 HB2 LYS A 4 -2.465 -4.118 -2.450 1.00 40.20 H new ATOM 0 HB3 LYS A 4 -2.274 -3.293 -3.984 1.00 40.20 H new ATOM 0 HG2 LYS A 4 -0.688 -5.774 -3.250 1.00 74.32 H new ATOM 0 HG3 LYS A 4 -2.246 -5.845 -4.048 1.00 74.32 H new ATOM 0 HD2 LYS A 4 -1.207 -4.207 -5.791 1.00 72.05 H new ATOM 0 HD3 LYS A 4 0.336 -4.651 -5.089 1.00 72.05 H new ATOM 0 HE2 LYS A 4 0.259 -6.309 -6.661 1.00 75.22 H new ATOM 0 HE3 LYS A 4 -0.681 -7.134 -5.434 1.00 75.22 H new ATOM 0 HZ1 LYS A 4 -1.780 -7.206 -7.577 1.00 60.54 H new ATOM 0 HZ2 LYS A 4 -2.713 -6.310 -6.476 1.00 60.54 H new ATOM 0 HZ3 LYS A 4 -1.802 -5.510 -7.665 1.00 60.54 H new ATOM 59 N MET A 5 -0.172 -1.630 -4.547 1.00 14.55 N ATOM 60 CA MET A 5 -0.109 -0.342 -5.229 1.00 72.42 C ATOM 61 C MET A 5 0.277 -0.522 -6.694 1.00 20.31 C ATOM 62 O MET A 5 1.429 -0.817 -7.009 1.00 4.11 O ATOM 63 CB MET A 5 0.895 0.579 -4.534 1.00 61.12 C ATOM 64 CG MET A 5 0.269 1.841 -3.964 1.00 54.01 C ATOM 65 SD MET A 5 0.960 3.344 -4.680 1.00 44.40 S ATOM 66 CE MET A 5 0.958 4.430 -3.255 1.00 65.23 C ATOM 0 H MET A 5 0.092 -2.428 -5.125 1.00 14.55 H new ATOM 0 HA MET A 5 -1.098 0.113 -5.185 1.00 72.42 H new ATOM 0 HB2 MET A 5 1.382 0.030 -3.729 1.00 61.12 H new ATOM 0 HB3 MET A 5 1.672 0.858 -5.245 1.00 61.12 H new ATOM 0 HG2 MET A 5 -0.806 1.820 -4.141 1.00 54.01 H new ATOM 0 HG3 MET A 5 0.414 1.858 -2.884 1.00 54.01 H new ATOM 0 HE1 MET A 5 1.359 5.403 -3.539 1.00 65.23 H new ATOM 0 HE2 MET A 5 -0.062 4.550 -2.890 1.00 65.23 H new ATOM 0 HE3 MET A 5 1.576 3.998 -2.468 1.00 65.23 H new ATOM 76 N GLU A 6 -0.694 -0.343 -7.584 1.00 32.32 N ATOM 77 CA GLU A 6 -0.454 -0.487 -9.015 1.00 31.41 C ATOM 78 C GLU A 6 -1.587 0.139 -9.822 1.00 51.35 C ATOM 79 O GLU A 6 -2.734 0.181 -9.376 1.00 63.51 O ATOM 80 CB GLU A 6 -0.307 -1.965 -9.384 1.00 31.24 C ATOM 81 CG GLU A 6 0.295 -2.192 -10.760 1.00 73.02 C ATOM 82 CD GLU A 6 0.821 -3.603 -10.942 1.00 11.44 C ATOM 83 OE1 GLU A 6 -0.003 -4.530 -11.082 1.00 61.32 O ATOM 84 OE2 GLU A 6 2.057 -3.778 -10.943 1.00 65.12 O ATOM 0 H GLU A 6 -1.654 -0.098 -7.339 1.00 32.32 H new ATOM 0 HA GLU A 6 0.472 0.034 -9.256 1.00 31.41 H new ATOM 0 HB2 GLU A 6 0.317 -2.457 -8.638 1.00 31.24 H new ATOM 0 HB3 GLU A 6 -1.287 -2.440 -9.343 1.00 31.24 H new ATOM 0 HG2 GLU A 6 -0.459 -1.989 -11.520 1.00 73.02 H new ATOM 0 HG3 GLU A 6 1.107 -1.482 -10.919 1.00 73.02 H new ATOM 91 N VAL A 7 -1.257 0.627 -11.014 1.00 71.12 N ATOM 92 CA VAL A 7 -2.246 1.251 -11.885 1.00 43.32 C ATOM 93 C VAL A 7 -2.120 0.738 -13.315 1.00 52.23 C ATOM 94 O VAL A 7 -1.032 0.377 -13.764 1.00 72.41 O ATOM 95 CB VAL A 7 -2.103 2.785 -11.887 1.00 60.14 C ATOM 96 CG1 VAL A 7 -2.543 3.364 -10.551 1.00 44.13 C ATOM 97 CG2 VAL A 7 -0.671 3.186 -12.206 1.00 64.13 C ATOM 0 H VAL A 7 -0.312 0.602 -11.398 1.00 71.12 H new ATOM 0 HA VAL A 7 -3.227 0.985 -11.492 1.00 43.32 H new ATOM 0 HB VAL A 7 -2.751 3.192 -12.663 1.00 60.14 H new ATOM 0 HG11 VAL A 7 -2.435 4.448 -10.571 1.00 44.13 H new ATOM 0 HG12 VAL A 7 -3.586 3.107 -10.369 1.00 44.13 H new ATOM 0 HG13 VAL A 7 -1.923 2.952 -9.754 1.00 44.13 H new ATOM 0 HG21 VAL A 7 -0.588 4.273 -12.203 1.00 64.13 H new ATOM 0 HG22 VAL A 7 -0.000 2.769 -11.455 1.00 64.13 H new ATOM 0 HG23 VAL A 7 -0.397 2.804 -13.189 1.00 64.13 H new ATOM 107 N LYS A 8 -3.241 0.709 -14.028 1.00 52.31 N ATOM 108 CA LYS A 8 -3.258 0.242 -15.409 1.00 55.32 C ATOM 109 C LYS A 8 -4.364 0.931 -16.203 1.00 34.24 C ATOM 110 O LYS A 8 -5.434 1.222 -15.669 1.00 30.15 O ATOM 111 CB LYS A 8 -3.453 -1.275 -15.454 1.00 11.02 C ATOM 112 CG LYS A 8 -2.642 -1.961 -16.539 1.00 43.34 C ATOM 113 CD LYS A 8 -3.049 -3.415 -16.706 1.00 32.04 C ATOM 114 CE LYS A 8 -1.859 -4.349 -16.546 1.00 14.01 C ATOM 115 NZ LYS A 8 -2.197 -5.748 -16.929 1.00 12.05 N ATOM 0 H LYS A 8 -4.150 1.004 -13.672 1.00 52.31 H new ATOM 0 HA LYS A 8 -2.299 0.492 -15.862 1.00 55.32 H new ATOM 0 HB2 LYS A 8 -3.180 -1.697 -14.487 1.00 11.02 H new ATOM 0 HB3 LYS A 8 -4.510 -1.492 -15.610 1.00 11.02 H new ATOM 0 HG2 LYS A 8 -2.777 -1.434 -17.483 1.00 43.34 H new ATOM 0 HG3 LYS A 8 -1.582 -1.905 -16.292 1.00 43.34 H new ATOM 0 HD2 LYS A 8 -3.812 -3.667 -15.970 1.00 32.04 H new ATOM 0 HD3 LYS A 8 -3.496 -3.558 -17.690 1.00 32.04 H new ATOM 0 HE2 LYS A 8 -1.033 -3.993 -17.162 1.00 14.01 H new ATOM 0 HE3 LYS A 8 -1.517 -4.328 -15.511 1.00 14.01 H new ATOM 0 HZ1 LYS A 8 -1.360 -6.353 -16.806 1.00 12.05 H new ATOM 0 HZ2 LYS A 8 -2.968 -6.097 -16.325 1.00 12.05 H new ATOM 0 HZ3 LYS A 8 -2.499 -5.772 -17.924 1.00 12.05 H new ATOM 129 N GLU A 9 -4.099 1.187 -17.480 1.00 21.21 N ATOM 130 CA GLU A 9 -5.073 1.840 -18.346 1.00 12.53 C ATOM 131 C GLU A 9 -5.372 0.984 -19.573 1.00 21.33 C ATOM 132 O GLU A 9 -4.954 -0.172 -19.652 1.00 54.01 O ATOM 133 CB GLU A 9 -4.560 3.214 -18.782 1.00 50.31 C ATOM 134 CG GLU A 9 -3.301 3.152 -19.630 1.00 41.44 C ATOM 135 CD GLU A 9 -2.091 3.730 -18.922 1.00 12.41 C ATOM 136 OE1 GLU A 9 -2.223 4.807 -18.304 1.00 13.14 O ATOM 137 OE2 GLU A 9 -1.012 3.105 -18.986 1.00 50.01 O ATOM 0 H GLU A 9 -3.218 0.952 -17.938 1.00 21.21 H new ATOM 0 HA GLU A 9 -5.996 1.967 -17.780 1.00 12.53 H new ATOM 0 HB2 GLU A 9 -5.342 3.723 -19.345 1.00 50.31 H new ATOM 0 HB3 GLU A 9 -4.362 3.817 -17.896 1.00 50.31 H new ATOM 0 HG2 GLU A 9 -3.099 2.115 -19.898 1.00 41.44 H new ATOM 0 HG3 GLU A 9 -3.467 3.696 -20.560 1.00 41.44 H new ATOM 144 N ILE A 10 -6.097 1.559 -20.526 1.00 33.40 N ATOM 145 CA ILE A 10 -6.452 0.849 -21.749 1.00 24.43 C ATOM 146 C ILE A 10 -5.393 1.050 -22.828 1.00 12.42 C ATOM 147 O ILE A 10 -5.673 1.604 -23.890 1.00 64.03 O ATOM 148 CB ILE A 10 -7.817 1.310 -22.292 1.00 21.31 C ATOM 149 CG1 ILE A 10 -8.864 1.301 -21.176 1.00 4.10 C ATOM 150 CG2 ILE A 10 -8.256 0.419 -23.445 1.00 14.24 C ATOM 151 CD1 ILE A 10 -9.449 2.665 -20.886 1.00 51.41 C ATOM 0 H ILE A 10 -6.450 2.515 -20.475 1.00 33.40 H new ATOM 0 HA ILE A 10 -6.511 -0.209 -21.494 1.00 24.43 H new ATOM 0 HB ILE A 10 -7.718 2.330 -22.663 1.00 21.31 H new ATOM 0 HG12 ILE A 10 -9.670 0.620 -21.450 1.00 4.10 H new ATOM 0 HG13 ILE A 10 -8.410 0.908 -20.266 1.00 4.10 H new ATOM 0 HG21 ILE A 10 -9.223 0.757 -23.818 1.00 14.24 H new ATOM 0 HG22 ILE A 10 -7.519 0.471 -24.246 1.00 14.24 H new ATOM 0 HG23 ILE A 10 -8.341 -0.610 -23.097 1.00 14.24 H new ATOM 0 HD11 ILE A 10 -10.183 2.583 -20.085 1.00 51.41 H new ATOM 0 HD12 ILE A 10 -8.653 3.345 -20.581 1.00 51.41 H new ATOM 0 HD13 ILE A 10 -9.932 3.052 -21.783 1.00 51.41 H new ATOM 163 N GLY A 11 -4.176 0.595 -22.548 1.00 3.23 N ATOM 164 CA GLY A 11 -3.094 0.734 -23.505 1.00 24.52 C ATOM 165 C GLY A 11 -3.033 -0.423 -24.483 1.00 14.11 C ATOM 166 O GLY A 11 -2.273 -1.371 -24.287 1.00 44.14 O ATOM 0 H GLY A 11 -3.920 0.133 -21.676 1.00 3.23 H new ATOM 0 HA2 GLY A 11 -3.218 1.666 -24.057 1.00 24.52 H new ATOM 0 HA3 GLY A 11 -2.147 0.804 -22.970 1.00 24.52 H new ATOM 170 N ARG A 12 -3.838 -0.346 -25.538 1.00 34.44 N ATOM 171 CA ARG A 12 -3.875 -1.397 -26.548 1.00 55.52 C ATOM 172 C ARG A 12 -4.020 -0.801 -27.946 1.00 33.33 C ATOM 173 O ARG A 12 -4.868 -1.230 -28.729 1.00 43.30 O ATOM 174 CB ARG A 12 -5.031 -2.360 -26.271 1.00 24.44 C ATOM 175 CG ARG A 12 -6.376 -1.670 -26.116 1.00 21.13 C ATOM 176 CD ARG A 12 -7.436 -2.311 -26.998 1.00 22.33 C ATOM 177 NE ARG A 12 -7.743 -3.677 -26.580 1.00 2.41 N ATOM 178 CZ ARG A 12 -8.803 -4.354 -27.005 1.00 34.22 C ATOM 179 NH1 ARG A 12 -9.654 -3.796 -27.855 1.00 64.25 N ATOM 180 NH2 ARG A 12 -9.015 -5.593 -26.579 1.00 60.11 N ATOM 0 H ARG A 12 -4.473 0.433 -25.715 1.00 34.44 H new ATOM 0 HA ARG A 12 -2.935 -1.946 -26.500 1.00 55.52 H new ATOM 0 HB2 ARG A 12 -5.094 -3.082 -27.085 1.00 24.44 H new ATOM 0 HB3 ARG A 12 -4.814 -2.923 -25.363 1.00 24.44 H new ATOM 0 HG2 ARG A 12 -6.692 -1.716 -25.074 1.00 21.13 H new ATOM 0 HG3 ARG A 12 -6.277 -0.615 -26.373 1.00 21.13 H new ATOM 0 HD2 ARG A 12 -8.345 -1.710 -26.968 1.00 22.33 H new ATOM 0 HD3 ARG A 12 -7.092 -2.317 -28.032 1.00 22.33 H new ATOM 0 HE ARG A 12 -7.108 -4.135 -25.926 1.00 2.41 H new ATOM 0 HH11 ARG A 12 -9.495 -2.844 -28.184 1.00 64.25 H new ATOM 0 HH12 ARG A 12 -10.467 -4.319 -28.180 1.00 64.25 H new ATOM 0 HH21 ARG A 12 -8.363 -6.026 -25.925 1.00 60.11 H new ATOM 0 HH22 ARG A 12 -9.830 -6.112 -26.906 1.00 60.11 H new ATOM 194 N SER A 13 -3.188 0.189 -28.251 1.00 23.13 N ATOM 195 CA SER A 13 -3.226 0.846 -29.552 1.00 3.21 C ATOM 196 C SER A 13 -1.846 0.842 -30.203 1.00 71.53 C ATOM 197 O SER A 13 -0.856 0.451 -29.584 1.00 54.12 O ATOM 198 CB SER A 13 -3.729 2.284 -29.406 1.00 64.32 C ATOM 199 OG SER A 13 -5.048 2.313 -28.891 1.00 32.55 O ATOM 0 H SER A 13 -2.479 0.554 -27.615 1.00 23.13 H new ATOM 0 HA SER A 13 -3.912 0.291 -30.192 1.00 3.21 H new ATOM 0 HB2 SER A 13 -3.065 2.840 -28.744 1.00 64.32 H new ATOM 0 HB3 SER A 13 -3.703 2.782 -30.375 1.00 64.32 H new ATOM 0 HG SER A 13 -5.287 3.234 -28.656 1.00 32.55 H new ATOM 205 N SER A 14 -1.789 1.278 -31.457 1.00 53.54 N ATOM 206 CA SER A 14 -0.533 1.322 -32.196 1.00 24.44 C ATOM 207 C SER A 14 -0.074 2.762 -32.404 1.00 72.21 C ATOM 208 O SER A 14 0.555 3.086 -33.412 1.00 11.25 O ATOM 209 CB SER A 14 -0.687 0.623 -33.548 1.00 23.32 C ATOM 210 OG SER A 14 -0.549 -0.781 -33.415 1.00 32.43 O ATOM 0 H SER A 14 -2.599 1.606 -31.983 1.00 53.54 H new ATOM 0 HA SER A 14 0.223 0.800 -31.609 1.00 24.44 H new ATOM 0 HB2 SER A 14 -1.663 0.857 -33.973 1.00 23.32 H new ATOM 0 HB3 SER A 14 0.062 1.001 -34.244 1.00 23.32 H new ATOM 0 HG SER A 14 -0.653 -1.205 -34.293 1.00 32.43 H new ATOM 216 N LYS A 15 -0.394 3.623 -31.444 1.00 32.30 N ATOM 217 CA LYS A 15 -0.016 5.029 -31.519 1.00 24.30 C ATOM 218 C LYS A 15 1.496 5.193 -31.396 1.00 31.55 C ATOM 219 O LYS A 15 2.152 4.449 -30.666 1.00 65.54 O ATOM 220 CB LYS A 15 -0.717 5.827 -30.418 1.00 34.44 C ATOM 221 CG LYS A 15 -0.098 5.641 -29.043 1.00 60.13 C ATOM 222 CD LYS A 15 -0.555 4.344 -28.396 1.00 43.04 C ATOM 223 CE LYS A 15 0.553 3.301 -28.396 1.00 13.45 C ATOM 224 NZ LYS A 15 1.759 3.774 -27.662 1.00 2.32 N ATOM 0 H LYS A 15 -0.915 3.371 -30.604 1.00 32.30 H new ATOM 0 HA LYS A 15 -0.328 5.412 -32.491 1.00 24.30 H new ATOM 0 HB2 LYS A 15 -0.694 6.885 -30.677 1.00 34.44 H new ATOM 0 HB3 LYS A 15 -1.765 5.531 -30.378 1.00 34.44 H new ATOM 0 HG2 LYS A 15 0.989 5.642 -29.129 1.00 60.13 H new ATOM 0 HG3 LYS A 15 -0.368 6.482 -28.405 1.00 60.13 H new ATOM 0 HD2 LYS A 15 -0.873 4.539 -27.372 1.00 43.04 H new ATOM 0 HD3 LYS A 15 -1.422 3.955 -28.930 1.00 43.04 H new ATOM 0 HE2 LYS A 15 0.187 2.382 -27.939 1.00 13.45 H new ATOM 0 HE3 LYS A 15 0.825 3.060 -29.424 1.00 13.45 H new ATOM 0 HZ1 LYS A 15 2.214 2.969 -27.187 1.00 2.32 H new ATOM 0 HZ2 LYS A 15 2.428 4.203 -28.333 1.00 2.32 H new ATOM 0 HZ3 LYS A 15 1.479 4.481 -26.953 1.00 2.32 H new ATOM 238 N ILE A 16 2.041 6.171 -32.111 1.00 32.31 N ATOM 239 CA ILE A 16 3.474 6.433 -32.079 1.00 22.25 C ATOM 240 C ILE A 16 3.808 7.750 -32.771 1.00 20.20 C ATOM 241 O ILE A 16 2.943 8.377 -33.384 1.00 25.12 O ATOM 242 CB ILE A 16 4.269 5.297 -32.749 1.00 45.12 C ATOM 243 CG1 ILE A 16 3.374 4.521 -33.717 1.00 63.04 C ATOM 244 CG2 ILE A 16 4.853 4.366 -31.697 1.00 43.20 C ATOM 245 CD1 ILE A 16 4.137 3.582 -34.625 1.00 44.13 C ATOM 0 H ILE A 16 1.512 6.795 -32.720 1.00 32.31 H new ATOM 0 HA ILE A 16 3.760 6.495 -31.029 1.00 22.25 H new ATOM 0 HB ILE A 16 5.091 5.734 -33.315 1.00 45.12 H new ATOM 0 HG12 ILE A 16 2.645 3.947 -33.145 1.00 63.04 H new ATOM 0 HG13 ILE A 16 2.814 5.229 -34.328 1.00 63.04 H new ATOM 0 HG21 ILE A 16 5.412 3.569 -32.187 1.00 43.20 H new ATOM 0 HG22 ILE A 16 5.520 4.928 -31.044 1.00 43.20 H new ATOM 0 HG23 ILE A 16 4.046 3.933 -31.106 1.00 43.20 H new ATOM 0 HD11 ILE A 16 3.439 3.066 -35.284 1.00 44.13 H new ATOM 0 HD12 ILE A 16 4.847 4.152 -35.224 1.00 44.13 H new ATOM 0 HD13 ILE A 16 4.676 2.851 -34.022 1.00 44.13 H new ATOM 257 N ILE A 17 5.067 8.162 -32.671 1.00 2.14 N ATOM 258 CA ILE A 17 5.516 9.403 -33.290 1.00 32.01 C ATOM 259 C ILE A 17 6.542 9.131 -34.384 1.00 44.42 C ATOM 260 O ILE A 17 7.103 8.038 -34.468 1.00 31.35 O ATOM 261 CB ILE A 17 6.130 10.360 -32.252 1.00 0.34 C ATOM 262 CG1 ILE A 17 7.360 9.722 -31.602 1.00 14.31 C ATOM 263 CG2 ILE A 17 5.098 10.730 -31.196 1.00 63.32 C ATOM 264 CD1 ILE A 17 7.036 8.899 -30.375 1.00 1.01 C ATOM 0 H ILE A 17 5.794 7.655 -32.167 1.00 2.14 H new ATOM 0 HA ILE A 17 4.636 9.873 -33.729 1.00 32.01 H new ATOM 0 HB ILE A 17 6.443 11.272 -32.761 1.00 0.34 H new ATOM 0 HG12 ILE A 17 7.860 9.087 -32.334 1.00 14.31 H new ATOM 0 HG13 ILE A 17 8.064 10.507 -31.327 1.00 14.31 H new ATOM 0 HG21 ILE A 17 5.547 11.407 -30.469 1.00 63.32 H new ATOM 0 HG22 ILE A 17 4.249 11.221 -31.673 1.00 63.32 H new ATOM 0 HG23 ILE A 17 4.757 9.828 -30.689 1.00 63.32 H new ATOM 0 HD11 ILE A 17 7.954 8.477 -29.967 1.00 1.01 H new ATOM 0 HD12 ILE A 17 6.564 9.534 -29.625 1.00 1.01 H new ATOM 0 HD13 ILE A 17 6.356 8.092 -30.647 1.00 1.01 H new ATOM 276 N LEU A 18 6.786 10.134 -35.221 1.00 71.11 N ATOM 277 CA LEU A 18 7.748 10.005 -36.311 1.00 35.35 C ATOM 278 C LEU A 18 8.785 11.121 -36.256 1.00 43.30 C ATOM 279 O LEU A 18 8.508 12.276 -36.579 1.00 12.51 O ATOM 280 CB LEU A 18 7.026 10.029 -37.659 1.00 62.22 C ATOM 281 CG LEU A 18 7.812 9.479 -38.850 1.00 74.33 C ATOM 282 CD1 LEU A 18 6.939 9.446 -40.096 1.00 24.04 C ATOM 283 CD2 LEU A 18 9.062 10.311 -39.095 1.00 22.34 C ATOM 0 H LEU A 18 6.331 11.045 -35.166 1.00 71.11 H new ATOM 0 HA LEU A 18 8.263 9.051 -36.199 1.00 35.35 H new ATOM 0 HB2 LEU A 18 6.102 9.459 -37.564 1.00 62.22 H new ATOM 0 HB3 LEU A 18 6.744 11.059 -37.879 1.00 62.22 H new ATOM 0 HG LEU A 18 8.119 8.459 -38.618 1.00 74.33 H new ATOM 0 HD11 LEU A 18 7.515 9.052 -40.933 1.00 24.04 H new ATOM 0 HD12 LEU A 18 6.074 8.807 -39.918 1.00 24.04 H new ATOM 0 HD13 LEU A 18 6.602 10.456 -40.331 1.00 24.04 H new ATOM 0 HD21 LEU A 18 9.608 9.905 -39.946 1.00 22.34 H new ATOM 0 HD22 LEU A 18 8.777 11.342 -39.305 1.00 22.34 H new ATOM 0 HD23 LEU A 18 9.697 10.283 -38.209 1.00 22.34 H new ATOM 295 N PRO A 19 10.011 10.770 -35.840 1.00 2.32 N ATOM 296 CA PRO A 19 11.116 11.728 -35.736 1.00 23.10 C ATOM 297 C PRO A 19 11.607 12.197 -37.101 1.00 63.44 C ATOM 298 O PRO A 19 11.980 11.386 -37.949 1.00 42.21 O ATOM 299 CB PRO A 19 12.209 10.932 -35.019 1.00 64.40 C ATOM 300 CG PRO A 19 11.910 9.507 -35.336 1.00 1.00 C ATOM 301 CD PRO A 19 10.413 9.412 -35.439 1.00 31.51 C ATOM 0 HA PRO A 19 10.819 12.637 -35.213 1.00 23.10 H new ATOM 0 HB2 PRO A 19 13.201 11.216 -35.371 1.00 64.40 H new ATOM 0 HB3 PRO A 19 12.189 11.111 -33.944 1.00 64.40 H new ATOM 0 HG2 PRO A 19 12.385 9.207 -36.270 1.00 1.00 H new ATOM 0 HG3 PRO A 19 12.291 8.846 -34.558 1.00 1.00 H new ATOM 0 HD2 PRO A 19 10.107 8.669 -36.175 1.00 31.51 H new ATOM 0 HD3 PRO A 19 9.963 9.124 -34.489 1.00 31.51 H new ATOM 309 N ALA A 20 11.605 13.510 -37.307 1.00 61.42 N ATOM 310 CA ALA A 20 12.053 14.086 -38.569 1.00 32.21 C ATOM 311 C ALA A 20 12.541 15.518 -38.376 1.00 74.31 C ATOM 312 O ALA A 20 13.744 15.773 -38.327 1.00 42.21 O ATOM 313 CB ALA A 20 10.932 14.042 -39.597 1.00 14.05 C ATOM 0 H ALA A 20 11.298 14.195 -36.616 1.00 61.42 H new ATOM 0 HA ALA A 20 12.890 13.491 -38.935 1.00 32.21 H new ATOM 0 HB1 ALA A 20 11.281 14.475 -40.534 1.00 14.05 H new ATOM 0 HB2 ALA A 20 10.633 13.007 -39.765 1.00 14.05 H new ATOM 0 HB3 ALA A 20 10.079 14.612 -39.229 1.00 14.05 H new ATOM 319 N CYS A 21 11.599 16.449 -38.268 1.00 0.02 N ATOM 320 CA CYS A 21 11.932 17.856 -38.082 1.00 2.05 C ATOM 321 C CYS A 21 11.197 18.434 -36.876 1.00 0.13 C ATOM 322 O CYS A 21 11.773 19.179 -36.084 1.00 10.24 O ATOM 323 CB CYS A 21 11.581 18.655 -39.338 1.00 4.51 C ATOM 324 SG CYS A 21 9.918 18.314 -39.996 1.00 75.12 S ATOM 0 H CYS A 21 10.599 16.254 -38.306 1.00 0.02 H new ATOM 0 HA CYS A 21 13.004 17.929 -37.901 1.00 2.05 H new ATOM 0 HB2 CYS A 21 11.660 19.719 -39.113 1.00 4.51 H new ATOM 0 HB3 CYS A 21 12.318 18.438 -40.111 1.00 4.51 H new ATOM 329 N MET A 22 9.922 18.085 -36.744 1.00 74.40 N ATOM 330 CA MET A 22 9.108 18.567 -35.634 1.00 50.43 C ATOM 331 C MET A 22 8.508 17.403 -34.853 1.00 72.32 C ATOM 332 O MET A 22 8.879 16.247 -35.060 1.00 31.21 O ATOM 333 CB MET A 22 7.993 19.479 -36.150 1.00 40.21 C ATOM 334 CG MET A 22 8.033 20.880 -35.562 1.00 51.41 C ATOM 335 SD MET A 22 9.563 21.752 -35.948 1.00 4.22 S ATOM 336 CE MET A 22 9.240 23.349 -35.205 1.00 12.35 C ATOM 0 H MET A 22 9.430 17.470 -37.392 1.00 74.40 H new ATOM 0 HA MET A 22 9.753 19.136 -34.964 1.00 50.43 H new ATOM 0 HB2 MET A 22 8.064 19.547 -37.236 1.00 40.21 H new ATOM 0 HB3 MET A 22 7.029 19.025 -35.921 1.00 40.21 H new ATOM 0 HG2 MET A 22 7.187 21.453 -35.941 1.00 51.41 H new ATOM 0 HG3 MET A 22 7.917 20.819 -34.480 1.00 51.41 H new ATOM 0 HE1 MET A 22 10.098 24.003 -35.360 1.00 12.35 H new ATOM 0 HE2 MET A 22 8.358 23.793 -35.666 1.00 12.35 H new ATOM 0 HE3 MET A 22 9.067 23.225 -34.136 1.00 12.35 H new ATOM 346 N HIS A 23 7.579 17.714 -33.955 1.00 13.50 N ATOM 347 CA HIS A 23 6.927 16.693 -33.143 1.00 61.11 C ATOM 348 C HIS A 23 5.608 16.257 -33.774 1.00 63.23 C ATOM 349 O HIS A 23 4.636 17.011 -33.786 1.00 43.22 O ATOM 350 CB HIS A 23 6.680 17.217 -31.728 1.00 71.11 C ATOM 351 CG HIS A 23 7.850 17.040 -30.811 1.00 25.52 C ATOM 352 ND1 HIS A 23 8.487 15.830 -30.628 1.00 43.25 N ATOM 353 CD2 HIS A 23 8.500 17.928 -30.023 1.00 24.21 C ATOM 354 CE1 HIS A 23 9.477 15.982 -29.767 1.00 21.22 C ATOM 355 NE2 HIS A 23 9.507 17.246 -29.385 1.00 32.35 N ATOM 0 H HIS A 23 7.261 18.665 -33.771 1.00 13.50 H new ATOM 0 HA HIS A 23 7.588 15.828 -33.092 1.00 61.11 H new ATOM 0 HB2 HIS A 23 6.427 18.276 -31.781 1.00 71.11 H new ATOM 0 HB3 HIS A 23 5.816 16.704 -31.305 1.00 71.11 H new ATOM 0 HD2 HIS A 23 8.270 18.978 -29.916 1.00 24.21 H new ATOM 0 HE1 HIS A 23 10.148 15.205 -29.432 1.00 21.22 H new ATOM 0 HE2 HIS A 23 10.170 17.650 -28.724 1.00 32.35 H new ATOM 363 N GLU A 24 5.584 15.035 -34.298 1.00 51.23 N ATOM 364 CA GLU A 24 4.385 14.501 -34.932 1.00 74.45 C ATOM 365 C GLU A 24 3.939 13.209 -34.253 1.00 2.13 C ATOM 366 O GLU A 24 4.698 12.595 -33.502 1.00 31.03 O ATOM 367 CB GLU A 24 4.638 14.246 -36.420 1.00 33.01 C ATOM 368 CG GLU A 24 5.868 13.396 -36.691 1.00 75.02 C ATOM 369 CD GLU A 24 6.345 13.502 -38.127 1.00 32.14 C ATOM 370 OE1 GLU A 24 5.747 12.839 -39.000 1.00 41.23 O ATOM 371 OE2 GLU A 24 7.315 14.247 -38.376 1.00 65.33 O ATOM 0 H GLU A 24 6.380 14.398 -34.296 1.00 51.23 H new ATOM 0 HA GLU A 24 3.590 15.240 -34.827 1.00 74.45 H new ATOM 0 HB2 GLU A 24 3.765 13.754 -36.849 1.00 33.01 H new ATOM 0 HB3 GLU A 24 4.748 15.203 -36.930 1.00 33.01 H new ATOM 0 HG2 GLU A 24 6.672 13.702 -36.021 1.00 75.02 H new ATOM 0 HG3 GLU A 24 5.643 12.354 -36.463 1.00 75.02 H new ATOM 378 N THR A 25 2.702 12.802 -34.521 1.00 24.11 N ATOM 379 CA THR A 25 2.154 11.585 -33.935 1.00 2.41 C ATOM 380 C THR A 25 1.055 10.999 -34.813 1.00 52.11 C ATOM 381 O THR A 25 0.525 11.674 -35.696 1.00 15.53 O ATOM 382 CB THR A 25 1.586 11.846 -32.527 1.00 4.40 C ATOM 383 OG1 THR A 25 2.425 12.770 -31.824 1.00 53.42 O ATOM 384 CG2 THR A 25 1.479 10.550 -31.738 1.00 52.20 C ATOM 0 H THR A 25 2.061 13.298 -35.140 1.00 24.11 H new ATOM 0 HA THR A 25 2.975 10.872 -33.861 1.00 2.41 H new ATOM 0 HB THR A 25 0.588 12.271 -32.635 1.00 4.40 H new ATOM 0 HG1 THR A 25 2.056 12.932 -30.930 1.00 53.42 H new ATOM 0 HG21 THR A 25 1.076 10.759 -30.747 1.00 52.20 H new ATOM 0 HG22 THR A 25 0.817 9.859 -32.261 1.00 52.20 H new ATOM 0 HG23 THR A 25 2.467 10.101 -31.640 1.00 52.20 H new ATOM 392 N CYS A 26 0.716 9.738 -34.566 1.00 14.32 N ATOM 393 CA CYS A 26 -0.322 9.060 -35.334 1.00 5.12 C ATOM 394 C CYS A 26 -0.920 7.904 -34.537 1.00 52.42 C ATOM 395 O CYS A 26 -0.220 7.225 -33.787 1.00 5.42 O ATOM 396 CB CYS A 26 0.250 8.542 -36.655 1.00 33.51 C ATOM 397 SG CYS A 26 -1.013 7.977 -37.841 1.00 10.45 S ATOM 0 H CYS A 26 1.145 9.165 -33.840 1.00 14.32 H new ATOM 0 HA CYS A 26 -1.113 9.780 -35.545 1.00 5.12 H new ATOM 0 HB2 CYS A 26 0.840 9.333 -37.118 1.00 33.51 H new ATOM 0 HB3 CYS A 26 0.931 7.717 -36.445 1.00 33.51 H new ATOM 402 N SER A 27 -2.221 7.687 -34.707 1.00 4.23 N ATOM 403 CA SER A 27 -2.915 6.616 -34.001 1.00 40.35 C ATOM 404 C SER A 27 -4.297 6.377 -34.602 1.00 41.20 C ATOM 405 O SER A 27 -5.164 7.249 -34.560 1.00 43.21 O ATOM 406 CB SER A 27 -3.044 6.956 -32.515 1.00 60.53 C ATOM 407 OG SER A 27 -3.533 5.848 -31.780 1.00 35.51 O ATOM 0 H SER A 27 -2.815 8.238 -35.327 1.00 4.23 H new ATOM 0 HA SER A 27 -2.328 5.703 -34.108 1.00 40.35 H new ATOM 0 HB2 SER A 27 -2.073 7.257 -32.122 1.00 60.53 H new ATOM 0 HB3 SER A 27 -3.716 7.805 -32.390 1.00 60.53 H new ATOM 0 HG SER A 27 -4.506 5.791 -31.883 1.00 35.51 H new ATOM 413 N GLY A 28 -4.495 5.187 -35.161 1.00 44.24 N ATOM 414 CA GLY A 28 -5.772 4.853 -35.763 1.00 53.41 C ATOM 415 C GLY A 28 -6.279 3.492 -35.330 1.00 61.13 C ATOM 416 O GLY A 28 -6.505 2.613 -36.161 1.00 14.11 O ATOM 0 H GLY A 28 -3.793 4.448 -35.208 1.00 44.24 H new ATOM 0 HA2 GLY A 28 -6.506 5.613 -35.495 1.00 53.41 H new ATOM 0 HA3 GLY A 28 -5.675 4.872 -36.848 1.00 53.41 H new ATOM 420 N GLY A 29 -6.456 3.316 -34.024 1.00 61.53 N ATOM 421 CA GLY A 29 -6.936 2.048 -33.505 1.00 42.12 C ATOM 422 C GLY A 29 -7.983 2.224 -32.424 1.00 34.22 C ATOM 423 O GLY A 29 -8.985 1.509 -32.398 1.00 33.43 O ATOM 0 H GLY A 29 -6.276 4.028 -33.316 1.00 61.53 H new ATOM 0 HA2 GLY A 29 -7.356 1.460 -34.321 1.00 42.12 H new ATOM 0 HA3 GLY A 29 -6.096 1.481 -33.104 1.00 42.12 H new ATOM 427 N PHE A 30 -7.752 3.177 -31.527 1.00 50.13 N ATOM 428 CA PHE A 30 -8.683 3.443 -30.436 1.00 64.15 C ATOM 429 C PHE A 30 -8.571 4.891 -29.967 1.00 72.51 C ATOM 430 O PHE A 30 -9.578 5.547 -29.700 1.00 24.13 O ATOM 431 CB PHE A 30 -8.415 2.494 -29.267 1.00 22.52 C ATOM 432 CG PHE A 30 -9.303 2.739 -28.080 1.00 63.24 C ATOM 433 CD1 PHE A 30 -10.651 2.421 -28.130 1.00 5.23 C ATOM 434 CD2 PHE A 30 -8.789 3.286 -26.916 1.00 15.43 C ATOM 435 CE1 PHE A 30 -11.470 2.647 -27.040 1.00 23.44 C ATOM 436 CE2 PHE A 30 -9.604 3.514 -25.822 1.00 62.32 C ATOM 437 CZ PHE A 30 -10.946 3.192 -25.884 1.00 45.41 C ATOM 0 H PHE A 30 -6.928 3.778 -31.534 1.00 50.13 H new ATOM 0 HA PHE A 30 -9.695 3.277 -30.805 1.00 64.15 H new ATOM 0 HB2 PHE A 30 -8.549 1.467 -29.605 1.00 22.52 H new ATOM 0 HB3 PHE A 30 -7.374 2.595 -28.959 1.00 22.52 H new ATOM 0 HD1 PHE A 30 -11.066 1.992 -29.030 1.00 5.23 H new ATOM 0 HD2 PHE A 30 -7.740 3.537 -26.862 1.00 15.43 H new ATOM 0 HE1 PHE A 30 -12.520 2.398 -27.092 1.00 23.44 H new ATOM 0 HE2 PHE A 30 -9.192 3.943 -24.921 1.00 62.32 H new ATOM 0 HZ PHE A 30 -11.584 3.366 -25.030 1.00 45.41 H new ATOM 447 N SER A 31 -7.340 5.381 -29.869 1.00 2.32 N ATOM 448 CA SER A 31 -7.095 6.749 -29.427 1.00 53.55 C ATOM 449 C SER A 31 -7.525 7.750 -30.496 1.00 33.00 C ATOM 450 O SER A 31 -8.025 8.832 -30.185 1.00 3.21 O ATOM 451 CB SER A 31 -5.614 6.944 -29.097 1.00 12.11 C ATOM 452 OG SER A 31 -5.298 6.395 -27.829 1.00 52.42 O ATOM 0 H SER A 31 -6.497 4.851 -30.090 1.00 2.32 H new ATOM 0 HA SER A 31 -7.686 6.926 -28.528 1.00 53.55 H new ATOM 0 HB2 SER A 31 -5.002 6.471 -29.865 1.00 12.11 H new ATOM 0 HB3 SER A 31 -5.373 8.007 -29.107 1.00 12.11 H new ATOM 0 HG SER A 31 -4.346 6.531 -27.642 1.00 52.42 H new ATOM 458 N LEU A 32 -7.328 7.381 -31.757 1.00 21.24 N ATOM 459 CA LEU A 32 -7.695 8.245 -32.873 1.00 62.24 C ATOM 460 C LEU A 32 -7.102 9.639 -32.700 1.00 42.45 C ATOM 461 O LEU A 32 -7.733 10.528 -32.128 1.00 30.01 O ATOM 462 CB LEU A 32 -9.217 8.337 -32.994 1.00 21.30 C ATOM 463 CG LEU A 32 -9.752 9.442 -33.905 1.00 75.32 C ATOM 464 CD1 LEU A 32 -10.672 8.859 -34.967 1.00 15.13 C ATOM 465 CD2 LEU A 32 -10.480 10.500 -33.089 1.00 1.20 C ATOM 0 H LEU A 32 -6.916 6.489 -32.032 1.00 21.24 H new ATOM 0 HA LEU A 32 -7.290 7.809 -33.786 1.00 62.24 H new ATOM 0 HB2 LEU A 32 -9.591 7.380 -33.359 1.00 21.30 H new ATOM 0 HB3 LEU A 32 -9.633 8.483 -31.997 1.00 21.30 H new ATOM 0 HG LEU A 32 -8.907 9.915 -34.405 1.00 75.32 H new ATOM 0 HD11 LEU A 32 -11.043 9.660 -35.606 1.00 15.13 H new ATOM 0 HD12 LEU A 32 -10.120 8.139 -35.571 1.00 15.13 H new ATOM 0 HD13 LEU A 32 -11.513 8.360 -34.486 1.00 15.13 H new ATOM 0 HD21 LEU A 32 -10.854 11.279 -33.754 1.00 1.20 H new ATOM 0 HD22 LEU A 32 -11.316 10.041 -32.561 1.00 1.20 H new ATOM 0 HD23 LEU A 32 -9.792 10.939 -32.367 1.00 1.20 H new ATOM 477 N LYS A 33 -5.885 9.826 -33.201 1.00 71.41 N ATOM 478 CA LYS A 33 -5.207 11.113 -33.106 1.00 62.30 C ATOM 479 C LYS A 33 -3.909 11.104 -33.908 1.00 12.52 C ATOM 480 O LYS A 33 -3.380 10.044 -34.239 1.00 11.43 O ATOM 481 CB LYS A 33 -4.912 11.450 -31.643 1.00 14.43 C ATOM 482 CG LYS A 33 -4.091 10.392 -30.928 1.00 23.14 C ATOM 483 CD LYS A 33 -3.992 10.675 -29.438 1.00 31.31 C ATOM 484 CE LYS A 33 -3.177 11.929 -29.161 1.00 71.25 C ATOM 485 NZ LYS A 33 -2.690 11.975 -27.755 1.00 12.01 N ATOM 0 H LYS A 33 -5.348 9.101 -33.677 1.00 71.41 H new ATOM 0 HA LYS A 33 -5.866 11.875 -33.522 1.00 62.30 H new ATOM 0 HB2 LYS A 33 -4.381 12.401 -31.598 1.00 14.43 H new ATOM 0 HB3 LYS A 33 -5.855 11.586 -31.113 1.00 14.43 H new ATOM 0 HG2 LYS A 33 -4.543 9.413 -31.084 1.00 23.14 H new ATOM 0 HG3 LYS A 33 -3.091 10.354 -31.359 1.00 23.14 H new ATOM 0 HD2 LYS A 33 -4.993 10.791 -29.021 1.00 31.31 H new ATOM 0 HD3 LYS A 33 -3.534 9.824 -28.935 1.00 31.31 H new ATOM 0 HE2 LYS A 33 -2.326 11.967 -29.841 1.00 71.25 H new ATOM 0 HE3 LYS A 33 -3.786 12.810 -29.363 1.00 71.25 H new ATOM 0 HZ1 LYS A 33 -2.139 12.845 -27.607 1.00 12.01 H new ATOM 0 HZ2 LYS A 33 -3.502 11.965 -27.106 1.00 12.01 H new ATOM 0 HZ3 LYS A 33 -2.088 11.148 -27.569 1.00 12.01 H new ATOM 499 N ASN A 34 -3.401 12.294 -34.215 1.00 74.44 N ATOM 500 CA ASN A 34 -2.165 12.423 -34.978 1.00 23.53 C ATOM 501 C ASN A 34 -1.680 13.869 -34.987 1.00 51.14 C ATOM 502 O ASN A 34 -2.467 14.797 -35.177 1.00 62.10 O ATOM 503 CB ASN A 34 -2.372 11.933 -36.412 1.00 60.42 C ATOM 504 CG ASN A 34 -3.322 12.819 -37.194 1.00 41.13 C ATOM 505 OD1 ASN A 34 -2.923 13.852 -37.733 1.00 14.15 O ATOM 506 ND2 ASN A 34 -4.586 12.418 -37.260 1.00 51.12 N ATOM 0 H ASN A 34 -3.826 13.182 -33.947 1.00 74.44 H new ATOM 0 HA ASN A 34 -1.405 11.807 -34.498 1.00 23.53 H new ATOM 0 HB2 ASN A 34 -1.410 11.896 -36.923 1.00 60.42 H new ATOM 0 HB3 ASN A 34 -2.762 10.915 -36.393 1.00 60.42 H new ATOM 0 HD21 ASN A 34 -5.271 12.973 -37.773 1.00 51.12 H new ATOM 0 HD22 ASN A 34 -4.872 11.555 -36.798 1.00 51.12 H new ATOM 513 N ASP A 35 -0.381 14.053 -34.783 1.00 5.24 N ATOM 514 CA ASP A 35 0.210 15.386 -34.769 1.00 42.44 C ATOM 515 C ASP A 35 0.927 15.676 -36.084 1.00 40.25 C ATOM 516 O ASP A 35 1.772 14.898 -36.528 1.00 73.32 O ATOM 517 CB ASP A 35 1.187 15.523 -33.601 1.00 3.03 C ATOM 518 CG ASP A 35 0.568 16.224 -32.407 1.00 62.33 C ATOM 519 OD1 ASP A 35 -0.373 15.660 -31.810 1.00 61.32 O ATOM 520 OD2 ASP A 35 1.025 17.336 -32.070 1.00 22.41 O ATOM 0 H ASP A 35 0.284 13.296 -34.625 1.00 5.24 H new ATOM 0 HA ASP A 35 -0.594 16.111 -34.646 1.00 42.44 H new ATOM 0 HB2 ASP A 35 1.530 14.533 -33.300 1.00 3.03 H new ATOM 0 HB3 ASP A 35 2.066 16.078 -33.929 1.00 3.03 H new ATOM 525 N CYS A 36 0.584 16.800 -36.704 1.00 51.42 N ATOM 526 CA CYS A 36 1.193 17.193 -37.969 1.00 53.23 C ATOM 527 C CYS A 36 2.709 17.303 -37.833 1.00 15.24 C ATOM 528 O CYS A 36 3.274 16.969 -36.791 1.00 52.13 O ATOM 529 CB CYS A 36 0.614 18.527 -38.445 1.00 43.41 C ATOM 530 SG CYS A 36 -0.277 18.428 -40.031 1.00 1.32 S ATOM 0 H CYS A 36 -0.113 17.455 -36.351 1.00 51.42 H new ATOM 0 HA CYS A 36 0.968 16.423 -38.707 1.00 53.23 H new ATOM 0 HB2 CYS A 36 -0.065 18.909 -37.682 1.00 43.41 H new ATOM 0 HB3 CYS A 36 1.425 19.249 -38.541 1.00 43.41 H new ATOM 535 N TRP A 37 3.359 17.774 -38.890 1.00 64.43 N ATOM 536 CA TRP A 37 4.810 17.928 -38.888 1.00 52.04 C ATOM 537 C TRP A 37 5.201 19.399 -38.972 1.00 14.41 C ATOM 538 O TRP A 37 4.342 20.282 -38.954 1.00 42.03 O ATOM 539 CB TRP A 37 5.427 17.157 -40.056 1.00 72.42 C ATOM 540 CG TRP A 37 4.625 17.249 -41.319 1.00 41.41 C ATOM 541 CD1 TRP A 37 3.486 16.559 -41.619 1.00 60.54 C ATOM 542 CD2 TRP A 37 4.904 18.080 -42.452 1.00 34.32 C ATOM 543 NE1 TRP A 37 3.040 16.909 -42.871 1.00 15.33 N ATOM 544 CE2 TRP A 37 3.891 17.841 -43.402 1.00 1.41 C ATOM 545 CE3 TRP A 37 5.908 19.003 -42.755 1.00 61.53 C ATOM 546 CZ2 TRP A 37 3.857 18.492 -44.632 1.00 44.13 C ATOM 547 CZ3 TRP A 37 5.873 19.647 -43.977 1.00 43.20 C ATOM 548 CH2 TRP A 37 4.854 19.390 -44.903 1.00 55.50 C ATOM 0 H TRP A 37 2.906 18.056 -39.759 1.00 64.43 H new ATOM 0 HA TRP A 37 5.192 17.522 -37.951 1.00 52.04 H new ATOM 0 HB2 TRP A 37 6.431 17.538 -40.243 1.00 72.42 H new ATOM 0 HB3 TRP A 37 5.531 16.109 -39.776 1.00 72.42 H new ATOM 0 HD1 TRP A 37 3.006 15.843 -40.968 1.00 60.54 H new ATOM 0 HE1 TRP A 37 2.210 16.535 -43.330 1.00 15.33 H new ATOM 0 HE3 TRP A 37 6.697 19.209 -42.047 1.00 61.53 H new ATOM 0 HZ2 TRP A 37 3.072 18.296 -45.347 1.00 44.13 H new ATOM 0 HZ3 TRP A 37 6.645 20.361 -44.222 1.00 43.20 H new ATOM 0 HH2 TRP A 37 4.855 19.910 -45.849 1.00 55.50 H new ATOM 559 N CYS A 38 6.501 19.658 -39.063 1.00 31.51 N ATOM 560 CA CYS A 38 7.006 21.022 -39.149 1.00 11.41 C ATOM 561 C CYS A 38 6.300 21.795 -40.260 1.00 33.35 C ATOM 562 O CYS A 38 5.522 21.228 -41.028 1.00 24.40 O ATOM 563 CB CYS A 38 8.515 21.015 -39.398 1.00 44.21 C ATOM 564 SG CYS A 38 9.045 19.884 -40.724 1.00 73.13 S ATOM 0 H CYS A 38 7.225 18.939 -39.079 1.00 31.51 H new ATOM 0 HA CYS A 38 6.803 21.518 -38.200 1.00 11.41 H new ATOM 0 HB2 CYS A 38 8.836 22.026 -39.648 1.00 44.21 H new ATOM 0 HB3 CYS A 38 9.024 20.738 -38.474 1.00 44.21 H new ATOM 569 N CYS A 39 6.576 23.092 -40.338 1.00 53.21 N ATOM 570 CA CYS A 39 5.968 23.944 -41.353 1.00 71.34 C ATOM 571 C CYS A 39 6.787 23.925 -42.641 1.00 22.23 C ATOM 572 O CYS A 39 7.768 23.188 -42.755 1.00 11.21 O ATOM 573 CB CYS A 39 5.842 25.378 -40.837 1.00 40.41 C ATOM 574 SG CYS A 39 4.162 25.830 -40.298 1.00 34.32 S ATOM 0 H CYS A 39 7.217 23.577 -39.710 1.00 53.21 H new ATOM 0 HA CYS A 39 4.973 23.555 -41.570 1.00 71.34 H new ATOM 0 HB2 CYS A 39 6.529 25.514 -40.001 1.00 40.41 H new ATOM 0 HB3 CYS A 39 6.157 26.064 -41.623 1.00 40.41 H new ATOM 579 N LEU A 40 6.379 24.739 -43.607 1.00 54.32 N ATOM 580 CA LEU A 40 7.074 24.817 -44.887 1.00 43.41 C ATOM 581 C LEU A 40 8.573 25.009 -44.681 1.00 45.22 C ATOM 582 O LEU A 40 9.364 24.096 -44.917 1.00 24.31 O ATOM 583 CB LEU A 40 6.512 25.966 -45.726 1.00 41.04 C ATOM 584 CG LEU A 40 5.731 25.563 -46.978 1.00 12.34 C ATOM 585 CD1 LEU A 40 5.067 26.778 -47.606 1.00 52.44 C ATOM 586 CD2 LEU A 40 6.646 24.875 -47.980 1.00 4.24 C ATOM 0 H LEU A 40 5.570 25.355 -43.529 1.00 54.32 H new ATOM 0 HA LEU A 40 6.916 23.878 -45.416 1.00 43.41 H new ATOM 0 HB2 LEU A 40 5.859 26.567 -45.092 1.00 41.04 H new ATOM 0 HB3 LEU A 40 7.340 26.607 -46.029 1.00 41.04 H new ATOM 0 HG LEU A 40 4.952 24.859 -46.686 1.00 12.34 H new ATOM 0 HD11 LEU A 40 4.516 26.472 -48.495 1.00 52.44 H new ATOM 0 HD12 LEU A 40 4.379 27.228 -46.890 1.00 52.44 H new ATOM 0 HD13 LEU A 40 5.829 27.506 -47.884 1.00 52.44 H new ATOM 0 HD21 LEU A 40 6.073 24.596 -48.864 1.00 4.24 H new ATOM 0 HD22 LEU A 40 7.448 25.555 -48.267 1.00 4.24 H new ATOM 0 HD23 LEU A 40 7.074 23.981 -47.527 1.00 4.24 H new ATOM 598 N ARG A 41 8.957 26.202 -44.238 1.00 52.22 N ATOM 599 CA ARG A 41 10.361 26.513 -43.999 1.00 51.54 C ATOM 600 C ARG A 41 10.512 27.476 -42.825 1.00 42.44 C ATOM 601 O ARG A 41 9.604 28.252 -42.523 1.00 71.33 O ATOM 602 CB ARG A 41 10.992 27.120 -45.254 1.00 74.44 C ATOM 603 CG ARG A 41 10.387 28.455 -45.656 1.00 32.01 C ATOM 604 CD ARG A 41 11.450 29.420 -46.157 1.00 0.05 C ATOM 605 NE ARG A 41 11.632 29.331 -47.603 1.00 2.41 N ATOM 606 CZ ARG A 41 12.393 30.168 -48.300 1.00 70.33 C ATOM 607 NH1 ARG A 41 13.039 31.150 -47.687 1.00 63.50 N ATOM 608 NH2 ARG A 41 12.509 30.022 -49.614 1.00 52.32 N ATOM 0 H ARG A 41 8.315 26.969 -44.037 1.00 52.22 H new ATOM 0 HA ARG A 41 10.876 25.584 -43.754 1.00 51.54 H new ATOM 0 HB2 ARG A 41 12.061 27.251 -45.086 1.00 74.44 H new ATOM 0 HB3 ARG A 41 10.883 26.418 -46.081 1.00 74.44 H new ATOM 0 HG2 ARG A 41 9.641 28.298 -46.435 1.00 32.01 H new ATOM 0 HG3 ARG A 41 9.870 28.893 -44.802 1.00 32.01 H new ATOM 0 HD2 ARG A 41 11.170 30.439 -45.889 1.00 0.05 H new ATOM 0 HD3 ARG A 41 12.396 29.208 -45.659 1.00 0.05 H new ATOM 0 HE ARG A 41 11.149 28.586 -48.105 1.00 2.41 H new ATOM 0 HH11 ARG A 41 12.953 31.265 -46.677 1.00 63.50 H new ATOM 0 HH12 ARG A 41 13.622 31.791 -48.225 1.00 63.50 H new ATOM 0 HH21 ARG A 41 12.014 29.267 -50.089 1.00 52.32 H new ATOM 0 HH22 ARG A 41 13.093 30.665 -50.149 1.00 52.32 H new ATOM 622 N LEU A 42 11.664 27.421 -42.167 1.00 5.33 N ATOM 623 CA LEU A 42 11.935 28.288 -41.025 1.00 3.10 C ATOM 624 C LEU A 42 13.436 28.421 -40.786 1.00 31.54 C ATOM 625 O LEU A 42 14.200 27.488 -41.034 1.00 20.55 O ATOM 626 CB LEU A 42 11.254 27.740 -39.770 1.00 74.32 C ATOM 627 CG LEU A 42 11.190 26.217 -39.652 1.00 73.54 C ATOM 628 CD1 LEU A 42 11.621 25.770 -38.264 1.00 13.01 C ATOM 629 CD2 LEU A 42 9.787 25.716 -39.964 1.00 70.22 C ATOM 0 H LEU A 42 12.426 26.785 -42.404 1.00 5.33 H new ATOM 0 HA LEU A 42 11.532 29.276 -41.247 1.00 3.10 H new ATOM 0 HB2 LEU A 42 11.777 28.130 -38.897 1.00 74.32 H new ATOM 0 HB3 LEU A 42 10.237 28.130 -39.733 1.00 74.32 H new ATOM 0 HG LEU A 42 11.878 25.787 -40.380 1.00 73.54 H new ATOM 0 HD11 LEU A 42 11.569 24.683 -38.199 1.00 13.01 H new ATOM 0 HD12 LEU A 42 12.644 26.096 -38.078 1.00 13.01 H new ATOM 0 HD13 LEU A 42 10.959 26.210 -37.518 1.00 13.01 H new ATOM 0 HD21 LEU A 42 9.760 24.630 -39.875 1.00 70.22 H new ATOM 0 HD22 LEU A 42 9.079 26.155 -39.261 1.00 70.22 H new ATOM 0 HD23 LEU A 42 9.515 26.004 -40.980 1.00 70.22 H new ATOM 641 N LYS A 43 13.852 29.585 -40.300 1.00 52.31 N ATOM 642 CA LYS A 43 15.260 29.840 -40.023 1.00 44.20 C ATOM 643 C LYS A 43 15.584 29.573 -38.557 1.00 35.35 C ATOM 644 O LYS A 43 16.638 29.027 -38.232 1.00 25.35 O ATOM 645 CB LYS A 43 15.618 31.285 -40.380 1.00 23.31 C ATOM 646 CG LYS A 43 14.699 32.314 -39.745 1.00 60.31 C ATOM 647 CD LYS A 43 15.137 33.731 -40.074 1.00 1.00 C ATOM 648 CE LYS A 43 13.943 34.655 -40.260 1.00 30.42 C ATOM 649 NZ LYS A 43 13.421 34.612 -41.654 1.00 12.53 N ATOM 0 H LYS A 43 13.233 30.368 -40.090 1.00 52.31 H new ATOM 0 HA LYS A 43 15.853 29.162 -40.637 1.00 44.20 H new ATOM 0 HB2 LYS A 43 16.643 31.484 -40.068 1.00 23.31 H new ATOM 0 HB3 LYS A 43 15.586 31.401 -41.463 1.00 23.31 H new ATOM 0 HG2 LYS A 43 13.679 32.157 -40.095 1.00 60.31 H new ATOM 0 HG3 LYS A 43 14.690 32.177 -38.664 1.00 60.31 H new ATOM 0 HD2 LYS A 43 15.772 34.112 -39.274 1.00 1.00 H new ATOM 0 HD3 LYS A 43 15.739 33.725 -40.983 1.00 1.00 H new ATOM 0 HE2 LYS A 43 13.152 34.370 -39.567 1.00 30.42 H new ATOM 0 HE3 LYS A 43 14.232 35.676 -40.012 1.00 30.42 H new ATOM 0 HZ1 LYS A 43 12.608 35.255 -41.740 1.00 12.53 H new ATOM 0 HZ2 LYS A 43 14.168 34.908 -42.314 1.00 12.53 H new ATOM 0 HZ3 LYS A 43 13.122 33.643 -41.883 1.00 12.53 H new ATOM 663 N THR A 44 14.668 29.960 -37.673 1.00 62.53 N ATOM 664 CA THR A 44 14.856 29.761 -36.242 1.00 13.23 C ATOM 665 C THR A 44 13.811 28.805 -35.678 1.00 23.33 C ATOM 666 O THR A 44 14.095 28.025 -34.768 1.00 61.01 O ATOM 667 CB THR A 44 14.781 31.095 -35.475 1.00 54.21 C ATOM 668 OG1 THR A 44 15.217 30.909 -34.124 1.00 51.11 O ATOM 669 CG2 THR A 44 13.362 31.645 -35.484 1.00 43.41 C ATOM 0 H THR A 44 13.789 30.413 -37.924 1.00 62.53 H new ATOM 0 HA THR A 44 15.848 29.329 -36.111 1.00 13.23 H new ATOM 0 HB THR A 44 15.435 31.812 -35.972 1.00 54.21 H new ATOM 0 HG1 THR A 44 15.168 31.762 -33.644 1.00 51.11 H new ATOM 0 HG21 THR A 44 13.333 32.587 -34.937 1.00 43.41 H new ATOM 0 HG22 THR A 44 13.044 31.813 -36.513 1.00 43.41 H new ATOM 0 HG23 THR A 44 12.691 30.929 -35.009 1.00 43.41 H new ATOM 677 N LYS A 45 12.602 28.868 -36.223 1.00 55.34 N ATOM 678 CA LYS A 45 11.514 28.006 -35.777 1.00 12.34 C ATOM 679 C LYS A 45 10.221 28.334 -36.517 1.00 31.32 C ATOM 680 O LYS A 45 9.399 27.453 -36.766 1.00 73.25 O ATOM 681 CB LYS A 45 11.303 28.157 -34.268 1.00 54.34 C ATOM 682 CG LYS A 45 9.974 27.605 -33.782 1.00 21.41 C ATOM 683 CD LYS A 45 9.838 27.728 -32.274 1.00 33.35 C ATOM 684 CE LYS A 45 9.077 26.550 -31.685 1.00 21.54 C ATOM 685 NZ LYS A 45 7.606 26.781 -31.688 1.00 41.41 N ATOM 0 H LYS A 45 12.350 29.508 -36.976 1.00 55.34 H new ATOM 0 HA LYS A 45 11.787 26.974 -35.999 1.00 12.34 H new ATOM 0 HB2 LYS A 45 12.112 27.648 -33.744 1.00 54.34 H new ATOM 0 HB3 LYS A 45 11.367 29.213 -34.004 1.00 54.34 H new ATOM 0 HG2 LYS A 45 9.157 28.140 -34.267 1.00 21.41 H new ATOM 0 HG3 LYS A 45 9.886 26.558 -34.072 1.00 21.41 H new ATOM 0 HD2 LYS A 45 10.828 27.786 -31.822 1.00 33.35 H new ATOM 0 HD3 LYS A 45 9.321 28.656 -32.029 1.00 33.35 H new ATOM 0 HE2 LYS A 45 9.304 25.649 -32.256 1.00 21.54 H new ATOM 0 HE3 LYS A 45 9.415 26.374 -30.664 1.00 21.54 H new ATOM 0 HZ1 LYS A 45 7.124 25.955 -31.279 1.00 41.41 H new ATOM 0 HZ2 LYS A 45 7.386 27.626 -31.123 1.00 41.41 H new ATOM 0 HZ3 LYS A 45 7.279 26.924 -32.665 1.00 41.41 H new ATOM 699 N GLN A 46 10.050 29.605 -36.866 1.00 33.32 N ATOM 700 CA GLN A 46 8.857 30.047 -37.578 1.00 72.34 C ATOM 701 C GLN A 46 9.224 30.980 -38.727 1.00 54.04 C ATOM 702 O GLN A 46 10.179 31.750 -38.633 1.00 54.44 O ATOM 703 CB GLN A 46 7.896 30.752 -36.619 1.00 43.24 C ATOM 704 CG GLN A 46 8.511 31.951 -35.915 1.00 70.02 C ATOM 705 CD GLN A 46 7.904 33.266 -36.364 1.00 23.20 C ATOM 706 OE1 GLN A 46 8.581 34.104 -36.960 1.00 64.45 O ATOM 707 NE2 GLN A 46 6.621 33.454 -36.079 1.00 60.21 N ATOM 0 H GLN A 46 10.722 30.346 -36.667 1.00 33.32 H new ATOM 0 HA GLN A 46 8.364 29.167 -37.992 1.00 72.34 H new ATOM 0 HB2 GLN A 46 7.016 31.079 -37.174 1.00 43.24 H new ATOM 0 HB3 GLN A 46 7.554 30.038 -35.870 1.00 43.24 H new ATOM 0 HG2 GLN A 46 8.378 31.843 -34.839 1.00 70.02 H new ATOM 0 HG3 GLN A 46 9.584 31.967 -36.104 1.00 70.02 H new ATOM 0 HE21 GLN A 46 6.098 32.732 -35.583 1.00 60.21 H new ATOM 0 HE22 GLN A 46 6.159 34.320 -36.356 1.00 60.21 H new ATOM 716 N ALA A 47 8.459 30.905 -39.812 1.00 34.24 N ATOM 717 CA ALA A 47 8.702 31.744 -40.978 1.00 43.02 C ATOM 718 C ALA A 47 7.612 31.555 -42.028 1.00 24.22 C ATOM 719 O ALA A 47 6.738 32.407 -42.189 1.00 64.32 O ATOM 720 CB ALA A 47 10.069 31.438 -41.573 1.00 20.45 C ATOM 0 H ALA A 47 7.666 30.271 -39.907 1.00 34.24 H new ATOM 0 HA ALA A 47 8.683 32.785 -40.656 1.00 43.02 H new ATOM 0 HB1 ALA A 47 10.237 32.072 -42.443 1.00 20.45 H new ATOM 0 HB2 ALA A 47 10.841 31.631 -40.829 1.00 20.45 H new ATOM 0 HB3 ALA A 47 10.109 30.391 -41.874 1.00 20.45 H new ATOM 726 N ARG A 48 7.671 30.434 -42.739 1.00 72.14 N ATOM 727 CA ARG A 48 6.689 30.134 -43.775 1.00 44.51 C ATOM 728 C ARG A 48 5.970 28.822 -43.479 1.00 33.00 C ATOM 729 O ARG A 48 6.602 27.779 -43.308 1.00 43.34 O ATOM 730 CB ARG A 48 7.368 30.059 -45.144 1.00 61.20 C ATOM 731 CG ARG A 48 8.333 31.203 -45.410 1.00 21.45 C ATOM 732 CD ARG A 48 8.687 31.301 -46.885 1.00 45.40 C ATOM 733 NE ARG A 48 9.604 32.406 -47.155 1.00 55.31 N ATOM 734 CZ ARG A 48 10.145 32.638 -48.346 1.00 32.11 C ATOM 735 NH1 ARG A 48 9.863 31.846 -49.371 1.00 71.02 N ATOM 736 NH2 ARG A 48 10.969 33.664 -48.513 1.00 25.10 N ATOM 0 H ARG A 48 8.388 29.719 -42.617 1.00 72.14 H new ATOM 0 HA ARG A 48 5.952 30.937 -43.786 1.00 44.51 H new ATOM 0 HB2 ARG A 48 7.907 29.115 -45.221 1.00 61.20 H new ATOM 0 HB3 ARG A 48 6.602 30.053 -45.920 1.00 61.20 H new ATOM 0 HG2 ARG A 48 7.887 32.141 -45.079 1.00 21.45 H new ATOM 0 HG3 ARG A 48 9.241 31.058 -44.825 1.00 21.45 H new ATOM 0 HD2 ARG A 48 9.140 30.365 -47.212 1.00 45.40 H new ATOM 0 HD3 ARG A 48 7.776 31.435 -47.468 1.00 45.40 H new ATOM 0 HE ARG A 48 9.842 33.034 -46.387 1.00 55.31 H new ATOM 0 HH11 ARG A 48 9.229 31.056 -49.246 1.00 71.02 H new ATOM 0 HH12 ARG A 48 10.280 32.026 -50.284 1.00 71.02 H new ATOM 0 HH21 ARG A 48 11.188 34.276 -47.727 1.00 25.10 H new ATOM 0 HH22 ARG A 48 11.384 33.841 -49.428 1.00 25.10 H new ATOM 750 N CYS A 49 4.644 28.881 -43.419 1.00 34.12 N ATOM 751 CA CYS A 49 3.837 27.698 -43.142 1.00 52.54 C ATOM 752 C CYS A 49 3.060 27.268 -44.383 1.00 70.22 C ATOM 753 O CYS A 49 3.045 27.971 -45.394 1.00 31.15 O ATOM 754 CB CYS A 49 2.868 27.974 -41.991 1.00 10.21 C ATOM 755 SG CYS A 49 3.277 27.096 -40.448 1.00 64.02 S ATOM 0 H CYS A 49 4.105 29.736 -43.558 1.00 34.12 H new ATOM 0 HA CYS A 49 4.509 26.889 -42.856 1.00 52.54 H new ATOM 0 HB2 CYS A 49 2.852 29.046 -41.793 1.00 10.21 H new ATOM 0 HB3 CYS A 49 1.862 27.692 -42.301 1.00 10.21 H new ATOM 760 N TRP A 50 2.417 26.109 -44.299 1.00 14.24 N ATOM 761 CA TRP A 50 1.637 25.585 -45.414 1.00 62.43 C ATOM 762 C TRP A 50 0.176 26.007 -45.304 1.00 22.53 C ATOM 763 O TRP A 50 -0.496 25.702 -44.318 1.00 62.21 O ATOM 764 CB TRP A 50 1.738 24.059 -45.461 1.00 42.11 C ATOM 765 CG TRP A 50 1.751 23.507 -46.855 1.00 0.25 C ATOM 766 CD1 TRP A 50 0.772 23.639 -47.797 1.00 51.24 C ATOM 767 CD2 TRP A 50 2.793 22.734 -47.461 1.00 12.44 C ATOM 768 NE1 TRP A 50 1.142 22.995 -48.953 1.00 63.02 N ATOM 769 CE2 TRP A 50 2.378 22.433 -48.773 1.00 23.34 C ATOM 770 CE3 TRP A 50 4.036 22.270 -47.024 1.00 22.24 C ATOM 771 CZ2 TRP A 50 3.163 21.687 -49.648 1.00 42.11 C ATOM 772 CZ3 TRP A 50 4.814 21.530 -47.894 1.00 31.44 C ATOM 773 CH2 TRP A 50 4.376 21.245 -49.194 1.00 31.32 C ATOM 0 H TRP A 50 2.420 25.514 -43.470 1.00 14.24 H new ATOM 0 HA TRP A 50 2.046 25.998 -46.336 1.00 62.43 H new ATOM 0 HB2 TRP A 50 2.646 23.746 -44.946 1.00 42.11 H new ATOM 0 HB3 TRP A 50 0.898 23.629 -44.916 1.00 42.11 H new ATOM 0 HD1 TRP A 50 -0.157 24.171 -47.655 1.00 51.24 H new ATOM 0 HE1 TRP A 50 0.586 22.944 -49.807 1.00 63.02 H new ATOM 0 HE3 TRP A 50 4.383 22.486 -46.024 1.00 22.24 H new ATOM 0 HZ2 TRP A 50 2.826 21.465 -50.650 1.00 42.11 H new ATOM 0 HZ3 TRP A 50 5.776 21.165 -47.566 1.00 31.44 H new ATOM 0 HH2 TRP A 50 5.008 20.665 -49.851 1.00 31.32 H new ATOM 784 N LYS A 51 -0.311 26.709 -46.321 1.00 2.22 N ATOM 785 CA LYS A 51 -1.693 27.172 -46.339 1.00 53.22 C ATOM 786 C LYS A 51 -2.633 26.061 -46.796 1.00 51.24 C ATOM 787 O LYS A 51 -2.870 25.889 -47.992 1.00 5.44 O ATOM 788 CB LYS A 51 -1.834 28.386 -47.261 1.00 72.51 C ATOM 789 CG LYS A 51 -1.984 29.701 -46.517 1.00 22.04 C ATOM 790 CD LYS A 51 -0.651 30.189 -45.973 1.00 73.14 C ATOM 791 CE LYS A 51 -0.762 30.601 -44.513 1.00 63.33 C ATOM 792 NZ LYS A 51 0.111 31.766 -44.198 1.00 72.50 N ATOM 0 H LYS A 51 0.232 26.970 -47.144 1.00 2.22 H new ATOM 0 HA LYS A 51 -1.967 27.461 -45.324 1.00 53.22 H new ATOM 0 HB2 LYS A 51 -0.960 28.443 -47.909 1.00 72.51 H new ATOM 0 HB3 LYS A 51 -2.701 28.243 -47.907 1.00 72.51 H new ATOM 0 HG2 LYS A 51 -2.402 30.453 -47.186 1.00 22.04 H new ATOM 0 HG3 LYS A 51 -2.690 29.577 -45.696 1.00 22.04 H new ATOM 0 HD2 LYS A 51 0.095 29.401 -46.074 1.00 73.14 H new ATOM 0 HD3 LYS A 51 -0.303 31.035 -46.565 1.00 73.14 H new ATOM 0 HE2 LYS A 51 -1.798 30.851 -44.284 1.00 63.33 H new ATOM 0 HE3 LYS A 51 -0.489 29.760 -43.876 1.00 63.33 H new ATOM 0 HZ1 LYS A 51 0.007 32.016 -43.194 1.00 72.50 H new ATOM 0 HZ2 LYS A 51 1.102 31.520 -44.393 1.00 72.50 H new ATOM 0 HZ3 LYS A 51 -0.166 32.577 -44.787 1.00 72.50 H new ATOM 806 N GLU A 52 -3.167 25.311 -45.837 1.00 45.20 N ATOM 807 CA GLU A 52 -4.081 24.217 -46.143 1.00 51.50 C ATOM 808 C GLU A 52 -5.353 24.741 -46.804 1.00 60.43 C ATOM 809 O GLU A 52 -6.121 23.978 -47.391 1.00 64.33 O ATOM 810 CB GLU A 52 -4.435 23.448 -44.869 1.00 31.40 C ATOM 811 CG GLU A 52 -5.196 22.158 -45.128 1.00 52.45 C ATOM 812 CD GLU A 52 -6.433 22.026 -44.261 1.00 50.42 C ATOM 813 OE1 GLU A 52 -7.480 22.598 -44.631 1.00 41.41 O ATOM 814 OE2 GLU A 52 -6.354 21.352 -43.213 1.00 74.14 O ATOM 0 H GLU A 52 -2.982 25.441 -44.842 1.00 45.20 H new ATOM 0 HA GLU A 52 -3.581 23.543 -46.839 1.00 51.50 H new ATOM 0 HB2 GLU A 52 -3.518 23.216 -44.328 1.00 31.40 H new ATOM 0 HB3 GLU A 52 -5.033 24.089 -44.222 1.00 31.40 H new ATOM 0 HG2 GLU A 52 -5.487 22.117 -46.178 1.00 52.45 H new ATOM 0 HG3 GLU A 52 -4.537 21.309 -44.946 1.00 52.45 H new ATOM 821 N LYS A 53 -5.570 26.048 -46.704 1.00 71.32 N ATOM 822 CA LYS A 53 -6.747 26.675 -47.292 1.00 55.41 C ATOM 823 C LYS A 53 -6.607 26.783 -48.807 1.00 54.12 C ATOM 824 O LYS A 53 -7.595 26.711 -49.537 1.00 34.10 O ATOM 825 CB LYS A 53 -6.964 28.065 -46.689 1.00 54.23 C ATOM 826 CG LYS A 53 -5.853 29.049 -47.013 1.00 32.21 C ATOM 827 CD LYS A 53 -6.093 30.397 -46.354 1.00 44.15 C ATOM 828 CE LYS A 53 -5.202 31.476 -46.953 1.00 35.51 C ATOM 829 NZ LYS A 53 -5.998 32.563 -47.586 1.00 53.24 N ATOM 0 H LYS A 53 -4.945 26.694 -46.221 1.00 71.32 H new ATOM 0 HA LYS A 53 -7.611 26.049 -47.069 1.00 55.41 H new ATOM 0 HB2 LYS A 53 -7.910 28.466 -47.052 1.00 54.23 H new ATOM 0 HB3 LYS A 53 -7.052 27.973 -45.606 1.00 54.23 H new ATOM 0 HG2 LYS A 53 -4.898 28.644 -46.678 1.00 32.21 H new ATOM 0 HG3 LYS A 53 -5.783 29.178 -48.093 1.00 32.21 H new ATOM 0 HD2 LYS A 53 -7.139 30.680 -46.472 1.00 44.15 H new ATOM 0 HD3 LYS A 53 -5.903 30.319 -45.284 1.00 44.15 H new ATOM 0 HE2 LYS A 53 -4.567 31.897 -46.173 1.00 35.51 H new ATOM 0 HE3 LYS A 53 -4.541 31.030 -47.696 1.00 35.51 H new ATOM 0 HZ1 LYS A 53 -5.355 33.278 -47.982 1.00 53.24 H new ATOM 0 HZ2 LYS A 53 -6.585 32.165 -48.347 1.00 53.24 H new ATOM 0 HZ3 LYS A 53 -6.611 33.006 -46.872 1.00 53.24 H new ATOM 843 N GLU A 54 -5.374 26.955 -49.272 1.00 61.53 N ATOM 844 CA GLU A 54 -5.106 27.071 -50.701 1.00 13.10 C ATOM 845 C GLU A 54 -4.522 25.774 -51.253 1.00 22.13 C ATOM 846 O GLU A 54 -4.876 25.337 -52.348 1.00 23.10 O ATOM 847 CB GLU A 54 -4.145 28.231 -50.969 1.00 53.14 C ATOM 848 CG GLU A 54 -4.826 29.589 -51.009 1.00 72.10 C ATOM 849 CD GLU A 54 -4.985 30.121 -52.420 1.00 43.10 C ATOM 850 OE1 GLU A 54 -5.817 29.572 -53.172 1.00 1.22 O ATOM 851 OE2 GLU A 54 -4.276 31.087 -52.772 1.00 0.40 O ATOM 0 H GLU A 54 -4.545 27.017 -48.681 1.00 61.53 H new ATOM 0 HA GLU A 54 -6.051 27.267 -51.207 1.00 13.10 H new ATOM 0 HB2 GLU A 54 -3.377 28.242 -50.195 1.00 53.14 H new ATOM 0 HB3 GLU A 54 -3.638 28.060 -51.919 1.00 53.14 H new ATOM 0 HG2 GLU A 54 -5.807 29.513 -50.541 1.00 72.10 H new ATOM 0 HG3 GLU A 54 -4.246 30.300 -50.420 1.00 72.10 H new ATOM 858 N PHE A 55 -3.624 25.163 -50.486 1.00 53.32 N ATOM 859 CA PHE A 55 -2.989 23.917 -50.898 1.00 3.02 C ATOM 860 C PHE A 55 -3.500 22.745 -50.065 1.00 70.13 C ATOM 861 O PHE A 55 -3.229 22.635 -48.869 1.00 41.14 O ATOM 862 CB PHE A 55 -1.468 24.027 -50.765 1.00 34.12 C ATOM 863 CG PHE A 55 -0.920 25.346 -51.228 1.00 10.33 C ATOM 864 CD1 PHE A 55 -0.883 25.661 -52.576 1.00 51.54 C ATOM 865 CD2 PHE A 55 -0.441 26.271 -50.314 1.00 41.31 C ATOM 866 CE1 PHE A 55 -0.379 26.875 -53.006 1.00 34.12 C ATOM 867 CE2 PHE A 55 0.064 27.486 -50.737 1.00 55.45 C ATOM 868 CZ PHE A 55 0.095 27.788 -52.085 1.00 45.10 C ATOM 0 H PHE A 55 -3.320 25.511 -49.576 1.00 53.32 H new ATOM 0 HA PHE A 55 -3.244 23.736 -51.942 1.00 3.02 H new ATOM 0 HB2 PHE A 55 -1.190 23.873 -49.722 1.00 34.12 H new ATOM 0 HB3 PHE A 55 -1.002 23.227 -51.340 1.00 34.12 H new ATOM 0 HD1 PHE A 55 -1.252 24.950 -53.300 1.00 51.54 H new ATOM 0 HD2 PHE A 55 -0.463 26.040 -49.259 1.00 41.31 H new ATOM 0 HE1 PHE A 55 -0.356 27.108 -54.060 1.00 34.12 H new ATOM 0 HE2 PHE A 55 0.434 28.199 -50.015 1.00 55.45 H new ATOM 0 HZ PHE A 55 0.489 28.737 -52.418 1.00 45.10 H new ATOM 878 N PRO A 56 -4.259 21.847 -50.712 1.00 3.24 N ATOM 879 CA PRO A 56 -4.824 20.667 -50.051 1.00 54.12 C ATOM 880 C PRO A 56 -3.757 19.643 -49.680 1.00 11.34 C ATOM 881 O PRO A 56 -3.995 18.752 -48.865 1.00 52.44 O ATOM 882 CB PRO A 56 -5.773 20.092 -51.105 1.00 75.43 C ATOM 883 CG PRO A 56 -5.225 20.564 -52.407 1.00 41.13 C ATOM 884 CD PRO A 56 -4.622 21.915 -52.137 1.00 33.01 C ATOM 0 HA PRO A 56 -5.312 20.921 -49.110 1.00 54.12 H new ATOM 0 HB2 PRO A 56 -5.802 19.003 -51.059 1.00 75.43 H new ATOM 0 HB3 PRO A 56 -6.793 20.445 -50.954 1.00 75.43 H new ATOM 0 HG2 PRO A 56 -4.475 19.871 -52.789 1.00 41.13 H new ATOM 0 HG3 PRO A 56 -6.010 20.631 -53.160 1.00 41.13 H new ATOM 0 HD2 PRO A 56 -3.751 22.099 -52.765 1.00 33.01 H new ATOM 0 HD3 PRO A 56 -5.332 22.719 -52.333 1.00 33.01 H new ATOM 892 N ASN A 57 -2.580 19.778 -50.282 1.00 21.52 N ATOM 893 CA ASN A 57 -1.476 18.863 -50.014 1.00 3.34 C ATOM 894 C ASN A 57 -1.177 18.795 -48.519 1.00 62.10 C ATOM 895 O ASN A 57 -0.977 17.715 -47.965 1.00 24.44 O ATOM 896 CB ASN A 57 -0.224 19.305 -50.776 1.00 34.54 C ATOM 897 CG ASN A 57 0.501 18.139 -51.421 1.00 14.23 C ATOM 898 OD1 ASN A 57 0.910 18.213 -52.579 1.00 52.15 O ATOM 899 ND2 ASN A 57 0.663 17.055 -50.671 1.00 14.21 N ATOM 0 H ASN A 57 -2.366 20.511 -50.958 1.00 21.52 H new ATOM 0 HA ASN A 57 -1.769 17.870 -50.354 1.00 3.34 H new ATOM 0 HB2 ASN A 57 -0.505 20.025 -51.545 1.00 34.54 H new ATOM 0 HB3 ASN A 57 0.453 19.817 -50.092 1.00 34.54 H new ATOM 0 HD21 ASN A 57 1.143 16.239 -51.051 1.00 14.21 H new ATOM 0 HD22 ASN A 57 0.307 17.038 -49.715 1.00 14.21 H new ATOM 906 N ALA A 58 -1.149 19.956 -47.873 1.00 32.11 N ATOM 907 CA ALA A 58 -0.878 20.028 -46.443 1.00 22.14 C ATOM 908 C ALA A 58 -1.877 19.191 -45.651 1.00 70.24 C ATOM 909 O ALA A 58 -1.513 18.516 -44.688 1.00 43.11 O ATOM 910 CB ALA A 58 -0.908 21.474 -45.972 1.00 14.42 C ATOM 0 H ALA A 58 -1.311 20.860 -48.318 1.00 32.11 H new ATOM 0 HA ALA A 58 0.117 19.620 -46.267 1.00 22.14 H new ATOM 0 HB1 ALA A 58 -0.704 21.512 -44.902 1.00 14.42 H new ATOM 0 HB2 ALA A 58 -0.150 22.047 -46.507 1.00 14.42 H new ATOM 0 HB3 ALA A 58 -1.891 21.901 -46.169 1.00 14.42 H new ATOM 916 N LYS A 59 -3.139 19.239 -46.063 1.00 54.03 N ATOM 917 CA LYS A 59 -4.192 18.485 -45.394 1.00 35.11 C ATOM 918 C LYS A 59 -3.966 16.984 -45.544 1.00 32.12 C ATOM 919 O LYS A 59 -3.970 16.246 -44.559 1.00 62.34 O ATOM 920 CB LYS A 59 -5.561 18.865 -45.964 1.00 31.53 C ATOM 921 CG LYS A 59 -6.585 17.745 -45.885 1.00 64.01 C ATOM 922 CD LYS A 59 -6.830 17.314 -44.449 1.00 14.12 C ATOM 923 CE LYS A 59 -6.791 15.800 -44.307 1.00 14.34 C ATOM 924 NZ LYS A 59 -8.146 15.196 -44.437 1.00 31.21 N ATOM 0 H LYS A 59 -3.458 19.793 -46.858 1.00 54.03 H new ATOM 0 HA LYS A 59 -4.165 18.734 -44.333 1.00 35.11 H new ATOM 0 HB2 LYS A 59 -5.942 19.733 -45.425 1.00 31.53 H new ATOM 0 HB3 LYS A 59 -5.441 19.164 -47.005 1.00 31.53 H new ATOM 0 HG2 LYS A 59 -7.523 18.076 -46.332 1.00 64.01 H new ATOM 0 HG3 LYS A 59 -6.238 16.892 -46.468 1.00 64.01 H new ATOM 0 HD2 LYS A 59 -6.077 17.761 -43.800 1.00 14.12 H new ATOM 0 HD3 LYS A 59 -7.799 17.687 -44.116 1.00 14.12 H new ATOM 0 HE2 LYS A 59 -6.132 15.381 -45.067 1.00 14.34 H new ATOM 0 HE3 LYS A 59 -6.367 15.537 -43.338 1.00 14.34 H new ATOM 0 HZ1 LYS A 59 -8.205 14.345 -43.842 1.00 31.21 H new ATOM 0 HZ2 LYS A 59 -8.863 15.884 -44.131 1.00 31.21 H new ATOM 0 HZ3 LYS A 59 -8.317 14.937 -45.430 1.00 31.21 H new ATOM 938 N GLU A 60 -3.769 16.540 -46.781 1.00 45.44 N ATOM 939 CA GLU A 60 -3.540 15.127 -47.058 1.00 41.13 C ATOM 940 C GLU A 60 -2.346 14.603 -46.265 1.00 51.40 C ATOM 941 O GLU A 60 -2.388 13.504 -45.712 1.00 21.41 O ATOM 942 CB GLU A 60 -3.307 14.909 -48.555 1.00 31.12 C ATOM 943 CG GLU A 60 -3.990 13.667 -49.102 1.00 64.41 C ATOM 944 CD GLU A 60 -3.025 12.516 -49.314 1.00 4.23 C ATOM 945 OE1 GLU A 60 -1.980 12.731 -49.964 1.00 31.21 O ATOM 946 OE2 GLU A 60 -3.314 11.402 -48.830 1.00 4.02 O ATOM 0 H GLU A 60 -3.763 17.138 -47.607 1.00 45.44 H new ATOM 0 HA GLU A 60 -4.428 14.575 -46.751 1.00 41.13 H new ATOM 0 HB2 GLU A 60 -3.666 15.781 -49.101 1.00 31.12 H new ATOM 0 HB3 GLU A 60 -2.235 14.836 -48.741 1.00 31.12 H new ATOM 0 HG2 GLU A 60 -4.775 13.356 -48.413 1.00 64.41 H new ATOM 0 HG3 GLU A 60 -4.474 13.910 -50.048 1.00 64.41 H new ATOM 953 N LEU A 61 -1.283 15.398 -46.214 1.00 42.03 N ATOM 954 CA LEU A 61 -0.076 15.016 -45.489 1.00 62.35 C ATOM 955 C LEU A 61 -0.335 14.968 -43.987 1.00 41.41 C ATOM 956 O LEU A 61 0.183 14.100 -43.284 1.00 2.52 O ATOM 957 CB LEU A 61 1.057 15.998 -45.793 1.00 23.45 C ATOM 958 CG LEU A 61 1.412 16.179 -47.269 1.00 33.31 C ATOM 959 CD1 LEU A 61 1.888 17.598 -47.533 1.00 43.42 C ATOM 960 CD2 LEU A 61 2.471 15.171 -47.690 1.00 44.24 C ATOM 0 H LEU A 61 -1.232 16.311 -46.666 1.00 42.03 H new ATOM 0 HA LEU A 61 0.217 14.020 -45.820 1.00 62.35 H new ATOM 0 HB2 LEU A 61 0.787 16.971 -45.383 1.00 23.45 H new ATOM 0 HB3 LEU A 61 1.950 15.666 -45.263 1.00 23.45 H new ATOM 0 HG LEU A 61 0.515 16.003 -47.863 1.00 33.31 H new ATOM 0 HD11 LEU A 61 2.136 17.708 -48.589 1.00 43.42 H new ATOM 0 HD12 LEU A 61 1.098 18.302 -47.271 1.00 43.42 H new ATOM 0 HD13 LEU A 61 2.772 17.804 -46.929 1.00 43.42 H new ATOM 0 HD21 LEU A 61 2.711 15.314 -48.743 1.00 44.24 H new ATOM 0 HD22 LEU A 61 3.369 15.315 -47.090 1.00 44.24 H new ATOM 0 HD23 LEU A 61 2.092 14.160 -47.539 1.00 44.24 H new ATOM 972 N CYS A 62 -1.142 15.906 -43.501 1.00 63.13 N ATOM 973 CA CYS A 62 -1.472 15.971 -42.083 1.00 0.32 C ATOM 974 C CYS A 62 -2.185 14.700 -41.631 1.00 65.32 C ATOM 975 O CYS A 62 -1.826 14.101 -40.617 1.00 64.21 O ATOM 976 CB CYS A 62 -2.351 17.190 -41.798 1.00 55.42 C ATOM 977 SG CYS A 62 -1.738 18.251 -40.450 1.00 35.12 S ATOM 0 H CYS A 62 -1.579 16.631 -44.069 1.00 63.13 H new ATOM 0 HA CYS A 62 -0.541 16.063 -41.523 1.00 0.32 H new ATOM 0 HB2 CYS A 62 -2.432 17.786 -42.707 1.00 55.42 H new ATOM 0 HB3 CYS A 62 -3.356 16.849 -41.549 1.00 55.42 H new ATOM 982 N PHE A 63 -3.196 14.293 -42.391 1.00 41.03 N ATOM 983 CA PHE A 63 -3.960 13.093 -42.070 1.00 2.24 C ATOM 984 C PHE A 63 -3.156 11.835 -42.387 1.00 54.54 C ATOM 985 O PHE A 63 -3.145 10.881 -41.611 1.00 70.21 O ATOM 986 CB PHE A 63 -5.279 13.079 -42.845 1.00 45.34 C ATOM 987 CG PHE A 63 -6.483 13.334 -41.985 1.00 20.11 C ATOM 988 CD1 PHE A 63 -6.473 14.346 -41.039 1.00 33.04 C ATOM 989 CD2 PHE A 63 -7.625 12.562 -42.123 1.00 20.54 C ATOM 990 CE1 PHE A 63 -7.580 14.582 -40.245 1.00 60.30 C ATOM 991 CE2 PHE A 63 -8.735 12.793 -41.332 1.00 60.11 C ATOM 992 CZ PHE A 63 -8.713 13.805 -40.393 1.00 4.12 C ATOM 0 H PHE A 63 -3.506 14.777 -43.234 1.00 41.03 H new ATOM 0 HA PHE A 63 -4.176 13.105 -41.002 1.00 2.24 H new ATOM 0 HB2 PHE A 63 -5.237 13.833 -43.631 1.00 45.34 H new ATOM 0 HB3 PHE A 63 -5.392 12.113 -43.337 1.00 45.34 H new ATOM 0 HD1 PHE A 63 -5.591 14.957 -40.920 1.00 33.04 H new ATOM 0 HD2 PHE A 63 -7.648 11.770 -42.857 1.00 20.54 H new ATOM 0 HE1 PHE A 63 -7.559 15.373 -39.510 1.00 60.30 H new ATOM 0 HE2 PHE A 63 -9.618 12.183 -41.448 1.00 60.11 H new ATOM 0 HZ PHE A 63 -9.580 13.989 -39.775 1.00 4.12 H new ATOM 1002 N ALA A 64 -2.486 11.843 -43.535 1.00 11.11 N ATOM 1003 CA ALA A 64 -1.679 10.705 -43.956 1.00 21.44 C ATOM 1004 C ALA A 64 -0.457 10.537 -43.059 1.00 61.20 C ATOM 1005 O ALA A 64 0.161 9.474 -43.029 1.00 21.51 O ATOM 1006 CB ALA A 64 -1.253 10.867 -45.407 1.00 44.41 C ATOM 0 H ALA A 64 -2.486 12.625 -44.190 1.00 11.11 H new ATOM 0 HA ALA A 64 -2.289 9.806 -43.867 1.00 21.44 H new ATOM 0 HB1 ALA A 64 -0.651 10.009 -45.707 1.00 44.41 H new ATOM 0 HB2 ALA A 64 -2.137 10.929 -46.041 1.00 44.41 H new ATOM 0 HB3 ALA A 64 -0.665 11.778 -45.514 1.00 44.41 H new ATOM 1012 N ASN A 65 -0.114 11.594 -42.330 1.00 44.04 N ATOM 1013 CA ASN A 65 1.036 11.564 -41.434 1.00 21.54 C ATOM 1014 C ASN A 65 1.010 10.314 -40.558 1.00 0.50 C ATOM 1015 O ASN A 65 -0.034 9.940 -40.023 1.00 23.33 O ATOM 1016 CB ASN A 65 1.057 12.816 -40.555 1.00 20.22 C ATOM 1017 CG ASN A 65 0.384 12.593 -39.214 1.00 63.51 C ATOM 1018 OD1 ASN A 65 -0.797 12.254 -39.149 1.00 35.12 O ATOM 1019 ND2 ASN A 65 1.136 12.782 -38.136 1.00 43.12 N ATOM 0 H ASN A 65 -0.616 12.482 -42.342 1.00 44.04 H new ATOM 0 HA ASN A 65 1.940 11.541 -42.043 1.00 21.54 H new ATOM 0 HB2 ASN A 65 2.090 13.126 -40.393 1.00 20.22 H new ATOM 0 HB3 ASN A 65 0.558 13.632 -41.078 1.00 20.22 H new ATOM 0 HD21 ASN A 65 0.738 12.646 -37.207 1.00 43.12 H new ATOM 0 HD22 ASN A 65 2.111 13.063 -38.237 1.00 43.12 H new ATOM 1026 N CYS A 66 2.166 9.674 -40.416 1.00 14.01 N ATOM 1027 CA CYS A 66 2.277 8.467 -39.606 1.00 0.25 C ATOM 1028 C CYS A 66 3.710 7.943 -39.605 1.00 1.03 C ATOM 1029 O CYS A 66 4.445 8.070 -40.585 1.00 34.24 O ATOM 1030 CB CYS A 66 1.328 7.387 -40.128 1.00 54.32 C ATOM 1031 SG CYS A 66 -0.054 7.005 -39.004 1.00 70.32 S ATOM 0 H CYS A 66 3.039 9.971 -40.851 1.00 14.01 H new ATOM 0 HA CYS A 66 2.000 8.720 -38.583 1.00 0.25 H new ATOM 0 HB2 CYS A 66 0.923 7.707 -41.088 1.00 54.32 H new ATOM 0 HB3 CYS A 66 1.897 6.475 -40.310 1.00 54.32 H new ATOM 1036 N PRO A 67 4.119 7.339 -38.479 1.00 15.33 N ATOM 1037 CA PRO A 67 5.466 6.783 -38.323 1.00 33.13 C ATOM 1038 C PRO A 67 5.684 5.543 -39.183 1.00 20.11 C ATOM 1039 O PRO A 67 4.747 4.972 -39.741 1.00 34.14 O ATOM 1040 CB PRO A 67 5.530 6.421 -36.837 1.00 21.03 C ATOM 1041 CG PRO A 67 4.111 6.203 -36.438 1.00 63.32 C ATOM 1042 CD PRO A 67 3.296 7.153 -37.271 1.00 64.13 C ATOM 0 HA PRO A 67 6.237 7.487 -38.638 1.00 33.13 H new ATOM 0 HB2 PRO A 67 6.129 5.525 -36.673 1.00 21.03 H new ATOM 0 HB3 PRO A 67 5.987 7.221 -36.254 1.00 21.03 H new ATOM 0 HG2 PRO A 67 3.810 5.171 -36.616 1.00 63.32 H new ATOM 0 HG3 PRO A 67 3.970 6.397 -35.375 1.00 63.32 H new ATOM 0 HD2 PRO A 67 2.317 6.738 -37.512 1.00 64.13 H new ATOM 0 HD3 PRO A 67 3.124 8.096 -36.753 1.00 64.13 H new ATOM 1050 N PRO A 68 6.950 5.114 -39.294 1.00 41.43 N ATOM 1051 CA PRO A 68 7.321 3.937 -40.085 1.00 34.34 C ATOM 1052 C PRO A 68 6.833 2.638 -39.452 1.00 61.54 C ATOM 1053 O PRO A 68 6.448 2.611 -38.283 1.00 32.43 O ATOM 1054 CB PRO A 68 8.850 3.984 -40.097 1.00 5.44 C ATOM 1055 CG PRO A 68 9.216 4.740 -38.866 1.00 15.41 C ATOM 1056 CD PRO A 68 8.118 5.746 -38.657 1.00 15.31 C ATOM 0 HA PRO A 68 6.873 3.956 -41.079 1.00 34.34 H new ATOM 0 HB2 PRO A 68 9.277 2.981 -40.087 1.00 5.44 H new ATOM 0 HB3 PRO A 68 9.224 4.481 -40.992 1.00 5.44 H new ATOM 0 HG2 PRO A 68 9.302 4.072 -38.009 1.00 15.41 H new ATOM 0 HG3 PRO A 68 10.181 5.234 -38.983 1.00 15.41 H new ATOM 0 HD2 PRO A 68 7.944 5.937 -37.598 1.00 15.31 H new ATOM 0 HD3 PRO A 68 8.358 6.704 -39.118 1.00 15.31 H new ATOM 1064 N LEU A 69 6.853 1.562 -40.232 1.00 14.02 N ATOM 1065 CA LEU A 69 6.413 0.258 -39.748 1.00 12.15 C ATOM 1066 C LEU A 69 7.549 -0.758 -39.811 1.00 52.11 C ATOM 1067 O LEU A 69 7.316 -1.951 -39.999 1.00 63.43 O ATOM 1068 CB LEU A 69 5.223 -0.239 -40.570 1.00 54.51 C ATOM 1069 CG LEU A 69 5.327 -0.049 -42.084 1.00 21.12 C ATOM 1070 CD1 LEU A 69 4.567 -1.146 -42.813 1.00 14.12 C ATOM 1071 CD2 LEU A 69 4.805 1.323 -42.487 1.00 25.52 C ATOM 0 H LEU A 69 7.169 1.567 -41.202 1.00 14.02 H new ATOM 0 HA LEU A 69 6.107 0.369 -38.708 1.00 12.15 H new ATOM 0 HB2 LEU A 69 5.084 -1.301 -40.366 1.00 54.51 H new ATOM 0 HB3 LEU A 69 4.326 0.273 -40.220 1.00 54.51 H new ATOM 0 HG LEU A 69 6.378 -0.113 -42.368 1.00 21.12 H new ATOM 0 HD11 LEU A 69 4.652 -0.994 -43.889 1.00 14.12 H new ATOM 0 HD12 LEU A 69 4.987 -2.117 -42.549 1.00 14.12 H new ATOM 0 HD13 LEU A 69 3.516 -1.114 -42.524 1.00 14.12 H new ATOM 0 HD21 LEU A 69 4.887 1.440 -43.568 1.00 25.52 H new ATOM 0 HD22 LEU A 69 3.760 1.417 -42.190 1.00 25.52 H new ATOM 0 HD23 LEU A 69 5.393 2.096 -41.992 1.00 25.52 H new ATOM 1083 N GLU A 70 8.777 -0.275 -39.651 1.00 21.43 N ATOM 1084 CA GLU A 70 9.949 -1.143 -39.689 1.00 13.33 C ATOM 1085 C GLU A 70 10.034 -1.884 -41.020 1.00 1.11 C ATOM 1086 O GLU A 70 10.987 -1.709 -41.779 1.00 12.14 O ATOM 1087 CB GLU A 70 9.905 -2.147 -38.535 1.00 70.01 C ATOM 1088 CG GLU A 70 11.271 -2.456 -37.945 1.00 14.00 C ATOM 1089 CD GLU A 70 11.748 -3.856 -38.281 1.00 1.55 C ATOM 1090 OE1 GLU A 70 11.489 -4.315 -39.413 1.00 11.52 O ATOM 1091 OE2 GLU A 70 12.380 -4.492 -37.412 1.00 2.42 O ATOM 0 H GLU A 70 8.986 0.711 -39.494 1.00 21.43 H new ATOM 0 HA GLU A 70 10.836 -0.518 -39.584 1.00 13.33 H new ATOM 0 HB2 GLU A 70 9.259 -1.756 -37.749 1.00 70.01 H new ATOM 0 HB3 GLU A 70 9.453 -3.074 -38.888 1.00 70.01 H new ATOM 0 HG2 GLU A 70 11.995 -1.731 -38.316 1.00 14.00 H new ATOM 0 HG3 GLU A 70 11.230 -2.340 -36.862 1.00 14.00 H new TER 1098 GLU A 70