USER MOD reduce.3.24.130724 H: found=0, std=0, add=706, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 700 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 Set 1.1: A 40 THR OG1 : rot -94:sc= 0.422 USER MOD Set 1.2: A 78 SER OG : rot 12:sc= 0.186 USER MOD Set 2.1: A 26 THR OG1 : rot -170:sc= 0.994 USER MOD Set 2.2: A 28 SER OG : rot -71:sc= 1.17 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ -120:sc= 1.27 (180deg=-0.581) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 178:sc= 0.9 (180deg=0.898) USER MOD Single : A 16 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot -63:sc= 0.851 USER MOD Single : A 29 SER OG : rot 150:sc= 0.875 USER MOD Single : A 31 LYS NZ :NH3+ -175:sc= 0.734 (180deg=0.71) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 HIS : no HE2:sc= 0.666 K(o=0.67,f=-2.6!) USER MOD Single : A 39 ASN : amide:sc= -0.378 K(o=-0.38,f=-3.4!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl -145:sc= -0.154 (180deg=-0.865) USER MOD Single : A 46 GLN : amide:sc= 0.87 K(o=0.87,f=-0.77) USER MOD Single : A 48 TYR OH : rot 165:sc= 0.574 USER MOD Single : A 49 TYR OH : rot 125:sc= 1.07 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 30:sc= 0.261 USER MOD Single : A 60 ASN : amide:sc= -0.0104 X(o=-0.01,f=-0.27) USER MOD Single : A 62 ASN : amide:sc= 1.1 K(o=1.1,f=-5.9!) USER MOD Single : A 64 TYR OH : rot 179:sc= 0.244 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot -90:sc= -0.414 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= -0.0165 K(o=-0.016,f=-1.2) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -10.657 20.503 2.760 1.00 0.00 N ATOM 2 CA ALA A 1 -9.781 20.571 3.923 1.00 0.00 C ATOM 3 C ALA A 1 -9.264 19.186 4.302 1.00 0.00 C ATOM 4 O ALA A 1 -10.045 18.272 4.560 1.00 0.00 O ATOM 5 CB ALA A 1 -10.511 21.204 5.098 1.00 0.00 C ATOM 0 H1 ALA A 1 -10.995 21.458 2.523 1.00 0.00 H new ATOM 0 H2 ALA A 1 -10.132 20.111 1.952 1.00 0.00 H new ATOM 0 H3 ALA A 1 -11.470 19.891 2.973 1.00 0.00 H new ATOM 0 HA ALA A 1 -8.924 21.193 3.666 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -9.845 21.248 5.959 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -10.825 22.213 4.830 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -11.387 20.605 5.347 1.00 0.00 H new ATOM 11 N ALA A 2 -7.944 19.039 4.331 1.00 0.00 N ATOM 12 CA ALA A 2 -7.323 17.772 4.694 1.00 0.00 C ATOM 13 C ALA A 2 -7.003 17.725 6.185 1.00 0.00 C ATOM 14 O ALA A 2 -6.116 18.432 6.663 1.00 0.00 O ATOM 15 CB ALA A 2 -6.062 17.548 3.876 1.00 0.00 C ATOM 0 H ALA A 2 -7.283 19.783 4.107 1.00 0.00 H new ATOM 0 HA ALA A 2 -8.032 16.973 4.475 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -5.609 16.598 4.158 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -6.315 17.529 2.816 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -5.356 18.357 4.066 1.00 0.00 H new ATOM 21 N VAL A 3 -7.734 16.888 6.915 1.00 0.00 N ATOM 22 CA VAL A 3 -7.526 16.748 8.352 1.00 0.00 C ATOM 23 C VAL A 3 -7.289 15.290 8.733 1.00 0.00 C ATOM 24 O VAL A 3 -8.205 14.470 8.692 1.00 0.00 O ATOM 25 CB VAL A 3 -8.726 17.289 9.153 1.00 0.00 C ATOM 26 CG1 VAL A 3 -8.492 17.115 10.646 1.00 0.00 C ATOM 27 CG2 VAL A 3 -8.969 18.755 8.821 1.00 0.00 C ATOM 0 H VAL A 3 -8.474 16.298 6.536 1.00 0.00 H new ATOM 0 HA VAL A 3 -6.642 17.335 8.601 1.00 0.00 H new ATOM 0 HB VAL A 3 -9.612 16.719 8.874 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -9.349 17.502 11.196 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -8.363 16.057 10.873 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -7.595 17.661 10.940 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -9.820 19.122 9.395 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -8.083 19.337 9.074 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -9.179 18.857 7.756 1.00 0.00 H new ATOM 37 N ARG A 4 -6.052 14.976 9.104 1.00 0.00 N ATOM 38 CA ARG A 4 -5.666 13.598 9.389 1.00 0.00 C ATOM 39 C ARG A 4 -5.750 12.739 8.131 1.00 0.00 C ATOM 40 O ARG A 4 -5.930 11.524 8.208 1.00 0.00 O ATOM 41 CB ARG A 4 -6.475 12.999 10.530 1.00 0.00 C ATOM 42 CG ARG A 4 -6.367 13.746 11.850 1.00 0.00 C ATOM 43 CD ARG A 4 -7.219 13.195 12.936 1.00 0.00 C ATOM 44 NE ARG A 4 -7.236 13.993 14.151 1.00 0.00 N ATOM 45 CZ ARG A 4 -7.955 13.696 15.251 1.00 0.00 C ATOM 46 NH1 ARG A 4 -8.744 12.645 15.281 1.00 0.00 N ATOM 47 NH2 ARG A 4 -7.865 14.504 16.293 1.00 0.00 N ATOM 0 H ARG A 4 -5.300 15.656 9.214 1.00 0.00 H new ATOM 0 HA ARG A 4 -4.627 13.613 9.719 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -7.523 12.963 10.234 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -6.152 11.969 10.684 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -5.327 13.733 12.178 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -6.636 14.789 11.687 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -8.240 13.097 12.566 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -6.871 12.191 13.180 1.00 0.00 H new ATOM 0 HE ARG A 4 -6.663 14.837 14.172 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -8.819 12.040 14.463 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -9.281 12.435 16.122 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -7.263 15.326 16.250 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -8.397 14.305 17.140 1.00 0.00 H new ATOM 61 N LYS A 5 -5.620 13.379 6.973 1.00 0.00 N ATOM 62 CA LYS A 5 -5.564 12.662 5.704 1.00 0.00 C ATOM 63 C LYS A 5 -4.140 12.640 5.156 1.00 0.00 C ATOM 64 O LYS A 5 -3.392 13.606 5.303 1.00 0.00 O ATOM 65 CB LYS A 5 -6.512 13.298 4.687 1.00 0.00 C ATOM 66 CG LYS A 5 -7.985 13.217 5.063 1.00 0.00 C ATOM 67 CD LYS A 5 -8.863 13.884 4.015 1.00 0.00 C ATOM 68 CE LYS A 5 -10.332 13.831 4.406 1.00 0.00 C ATOM 69 NZ LYS A 5 -11.206 14.450 3.372 1.00 0.00 N ATOM 0 H LYS A 5 -5.551 14.393 6.887 1.00 0.00 H new ATOM 0 HA LYS A 5 -5.880 11.634 5.882 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -6.239 14.346 4.560 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -6.369 12.812 3.722 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -8.277 12.173 5.173 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -8.142 13.696 6.030 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -8.556 14.922 3.888 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -8.723 13.390 3.053 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -10.630 12.794 4.559 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -10.473 14.346 5.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -12.199 14.393 3.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -10.940 15.447 3.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -11.091 13.943 2.471 1.00 0.00 H new ATOM 83 N ILE A 6 -3.774 11.530 4.521 1.00 0.00 N ATOM 84 CA ILE A 6 -2.435 11.373 3.969 1.00 0.00 C ATOM 85 C ILE A 6 -2.483 10.755 2.576 1.00 0.00 C ATOM 86 O ILE A 6 -3.426 10.040 2.235 1.00 0.00 O ATOM 87 CB ILE A 6 -1.548 10.502 4.879 1.00 0.00 C ATOM 88 CG1 ILE A 6 -2.182 9.124 5.080 1.00 0.00 C ATOM 89 CG2 ILE A 6 -1.323 11.190 6.216 1.00 0.00 C ATOM 90 CD1 ILE A 6 -1.305 8.153 5.836 1.00 0.00 C ATOM 0 H ILE A 6 -4.387 10.727 4.377 1.00 0.00 H new ATOM 0 HA ILE A 6 -2.001 12.371 3.904 1.00 0.00 H new ATOM 0 HB ILE A 6 -0.580 10.367 4.396 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -3.123 9.242 5.617 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -2.422 8.699 4.105 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -0.695 10.562 6.847 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -0.831 12.149 6.054 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -2.282 11.353 6.707 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -1.823 7.199 5.939 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -0.373 8.003 5.290 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -1.086 8.555 6.825 1.00 0.00 H new ATOM 102 N HIS A 7 -1.458 11.033 1.776 1.00 0.00 N ATOM 103 CA HIS A 7 -1.301 10.379 0.481 1.00 0.00 C ATOM 104 C HIS A 7 -0.217 9.310 0.542 1.00 0.00 C ATOM 105 O HIS A 7 0.742 9.424 1.306 1.00 0.00 O ATOM 106 CB HIS A 7 -0.970 11.404 -0.608 1.00 0.00 C ATOM 107 CG HIS A 7 -2.078 12.371 -0.883 1.00 0.00 C ATOM 108 ND1 HIS A 7 -3.102 12.099 -1.765 1.00 0.00 N ATOM 109 CD2 HIS A 7 -2.323 13.609 -0.392 1.00 0.00 C ATOM 110 CE1 HIS A 7 -3.931 13.127 -1.804 1.00 0.00 C ATOM 111 NE2 HIS A 7 -3.480 14.057 -0.981 1.00 0.00 N ATOM 0 H HIS A 7 -0.725 11.706 2.001 1.00 0.00 H new ATOM 0 HA HIS A 7 -2.247 9.899 0.231 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -0.080 11.960 -0.313 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -0.724 10.875 -1.529 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -1.721 14.144 0.328 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -4.825 13.195 -2.406 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -3.920 14.961 -0.811 1.00 0.00 H new ATOM 118 N VAL A 8 -0.374 8.267 -0.269 1.00 0.00 N ATOM 119 CA VAL A 8 0.634 7.218 -0.371 1.00 0.00 C ATOM 120 C VAL A 8 1.074 7.019 -1.817 1.00 0.00 C ATOM 121 O VAL A 8 0.246 6.871 -2.716 1.00 0.00 O ATOM 122 CB VAL A 8 0.116 5.880 0.188 1.00 0.00 C ATOM 123 CG1 VAL A 8 1.191 4.808 0.086 1.00 0.00 C ATOM 124 CG2 VAL A 8 -0.335 6.045 1.632 1.00 0.00 C ATOM 0 H VAL A 8 -1.190 8.127 -0.865 1.00 0.00 H new ATOM 0 HA VAL A 8 1.488 7.542 0.225 1.00 0.00 H new ATOM 0 HB VAL A 8 -0.741 5.567 -0.408 1.00 0.00 H new ATOM 0 HG11 VAL A 8 0.808 3.869 0.486 1.00 0.00 H new ATOM 0 HG12 VAL A 8 1.470 4.671 -0.959 1.00 0.00 H new ATOM 0 HG13 VAL A 8 2.067 5.115 0.658 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -0.698 5.090 2.011 1.00 0.00 H new ATOM 0 HG22 VAL A 8 0.505 6.381 2.240 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -1.136 6.783 1.681 1.00 0.00 H new ATOM 134 N THR A 9 2.386 7.012 -2.035 1.00 0.00 N ATOM 135 CA THR A 9 2.939 6.807 -3.367 1.00 0.00 C ATOM 136 C THR A 9 3.121 5.321 -3.663 1.00 0.00 C ATOM 137 O THR A 9 3.852 4.623 -2.959 1.00 0.00 O ATOM 138 CB THR A 9 4.290 7.524 -3.535 1.00 0.00 C ATOM 139 OG1 THR A 9 4.110 8.935 -3.357 1.00 0.00 O ATOM 140 CG2 THR A 9 4.865 7.261 -4.918 1.00 0.00 C ATOM 0 H THR A 9 3.085 7.146 -1.305 1.00 0.00 H new ATOM 0 HA THR A 9 2.225 7.231 -4.073 1.00 0.00 H new ATOM 0 HB THR A 9 4.983 7.141 -2.786 1.00 0.00 H new ATOM 0 HG1 THR A 9 4.971 9.391 -3.462 1.00 0.00 H new ATOM 0 HG21 THR A 9 5.820 7.776 -5.019 1.00 0.00 H new ATOM 0 HG22 THR A 9 5.014 6.190 -5.052 1.00 0.00 H new ATOM 0 HG23 THR A 9 4.173 7.629 -5.676 1.00 0.00 H new ATOM 148 N VAL A 10 2.453 4.843 -4.707 1.00 0.00 N ATOM 149 CA VAL A 10 2.491 3.429 -5.057 1.00 0.00 C ATOM 150 C VAL A 10 3.471 3.170 -6.195 1.00 0.00 C ATOM 151 O VAL A 10 3.269 3.629 -7.320 1.00 0.00 O ATOM 152 CB VAL A 10 1.098 2.910 -5.461 1.00 0.00 C ATOM 153 CG1 VAL A 10 1.143 1.411 -5.719 1.00 0.00 C ATOM 154 CG2 VAL A 10 0.074 3.234 -4.385 1.00 0.00 C ATOM 0 H VAL A 10 1.878 5.415 -5.326 1.00 0.00 H new ATOM 0 HA VAL A 10 2.823 2.893 -4.168 1.00 0.00 H new ATOM 0 HB VAL A 10 0.799 3.410 -6.382 1.00 0.00 H new ATOM 0 HG11 VAL A 10 0.151 1.061 -6.003 1.00 0.00 H new ATOM 0 HG12 VAL A 10 1.846 1.201 -6.525 1.00 0.00 H new ATOM 0 HG13 VAL A 10 1.464 0.896 -4.814 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.904 2.860 -4.689 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.369 2.761 -3.448 1.00 0.00 H new ATOM 0 HG23 VAL A 10 0.022 4.314 -4.246 1.00 0.00 H new ATOM 164 N LYS A 11 4.534 2.430 -5.897 1.00 0.00 N ATOM 165 CA LYS A 11 5.598 2.193 -6.866 1.00 0.00 C ATOM 166 C LYS A 11 5.544 0.763 -7.392 1.00 0.00 C ATOM 167 O LYS A 11 5.739 -0.195 -6.644 1.00 0.00 O ATOM 168 CB LYS A 11 6.966 2.474 -6.241 1.00 0.00 C ATOM 169 CG LYS A 11 7.207 3.935 -5.889 1.00 0.00 C ATOM 170 CD LYS A 11 8.618 4.152 -5.363 1.00 0.00 C ATOM 171 CE LYS A 11 8.892 5.625 -5.099 1.00 0.00 C ATOM 172 NZ LYS A 11 10.294 5.861 -4.662 1.00 0.00 N ATOM 0 H LYS A 11 4.682 1.984 -4.992 1.00 0.00 H new ATOM 0 HA LYS A 11 5.449 2.874 -7.704 1.00 0.00 H new ATOM 0 HB2 LYS A 11 7.070 1.873 -5.338 1.00 0.00 H new ATOM 0 HB3 LYS A 11 7.742 2.146 -6.933 1.00 0.00 H new ATOM 0 HG2 LYS A 11 7.046 4.555 -6.771 1.00 0.00 H new ATOM 0 HG3 LYS A 11 6.484 4.254 -5.139 1.00 0.00 H new ATOM 0 HD2 LYS A 11 8.756 3.584 -4.443 1.00 0.00 H new ATOM 0 HD3 LYS A 11 9.340 3.770 -6.085 1.00 0.00 H new ATOM 0 HE2 LYS A 11 8.693 6.199 -6.004 1.00 0.00 H new ATOM 0 HE3 LYS A 11 8.207 5.990 -4.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 10.295 6.295 -3.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 10.804 4.955 -4.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 10.765 6.498 -5.336 1.00 0.00 H new ATOM 186 N PHE A 12 5.279 0.624 -8.689 1.00 0.00 N ATOM 187 CA PHE A 12 5.571 -0.615 -9.400 1.00 0.00 C ATOM 188 C PHE A 12 6.814 -0.462 -10.272 1.00 0.00 C ATOM 189 O PHE A 12 7.225 0.644 -10.622 1.00 0.00 O ATOM 190 CB PHE A 12 4.374 -1.036 -10.255 1.00 0.00 C ATOM 191 CG PHE A 12 3.187 -1.491 -9.454 1.00 0.00 C ATOM 192 CD1 PHE A 12 3.045 -2.821 -9.092 1.00 0.00 C ATOM 193 CD2 PHE A 12 2.212 -0.587 -9.060 1.00 0.00 C ATOM 194 CE1 PHE A 12 1.953 -3.242 -8.356 1.00 0.00 C ATOM 195 CE2 PHE A 12 1.119 -1.004 -8.322 1.00 0.00 C ATOM 196 CZ PHE A 12 0.991 -2.331 -7.971 1.00 0.00 C ATOM 0 H PHE A 12 4.863 1.354 -9.267 1.00 0.00 H new ATOM 0 HA PHE A 12 5.764 -1.392 -8.660 1.00 0.00 H new ATOM 0 HB2 PHE A 12 4.076 -0.197 -10.884 1.00 0.00 H new ATOM 0 HB3 PHE A 12 4.681 -1.842 -10.922 1.00 0.00 H new ATOM 0 HD1 PHE A 12 3.797 -3.538 -9.388 1.00 0.00 H new ATOM 0 HD2 PHE A 12 2.307 0.454 -9.332 1.00 0.00 H new ATOM 0 HE1 PHE A 12 1.853 -4.282 -8.083 1.00 0.00 H new ATOM 0 HE2 PHE A 12 0.366 -0.290 -8.021 1.00 0.00 H new ATOM 0 HZ PHE A 12 0.138 -2.657 -7.395 1.00 0.00 H new ATOM 206 N PRO A 13 7.427 -1.599 -10.630 1.00 0.00 N ATOM 207 CA PRO A 13 8.637 -1.619 -11.459 1.00 0.00 C ATOM 208 C PRO A 13 8.405 -1.007 -12.836 1.00 0.00 C ATOM 209 O PRO A 13 9.338 -0.521 -13.475 1.00 0.00 O ATOM 210 CB PRO A 13 8.999 -3.105 -11.551 1.00 0.00 C ATOM 211 CG PRO A 13 7.733 -3.817 -11.214 1.00 0.00 C ATOM 212 CD PRO A 13 7.050 -2.953 -10.187 1.00 0.00 C ATOM 0 HA PRO A 13 9.438 -1.019 -11.028 1.00 0.00 H new ATOM 0 HB2 PRO A 13 9.349 -3.368 -12.549 1.00 0.00 H new ATOM 0 HB3 PRO A 13 9.797 -3.363 -10.855 1.00 0.00 H new ATOM 0 HG2 PRO A 13 7.108 -3.946 -12.097 1.00 0.00 H new ATOM 0 HG3 PRO A 13 7.935 -4.812 -10.818 1.00 0.00 H new ATOM 0 HD2 PRO A 13 5.969 -3.096 -10.186 1.00 0.00 H new ATOM 0 HD3 PRO A 13 7.401 -3.165 -9.177 1.00 0.00 H new ATOM 220 N SER A 14 7.155 -1.036 -13.288 1.00 0.00 N ATOM 221 CA SER A 14 6.818 -0.573 -14.628 1.00 0.00 C ATOM 222 C SER A 14 5.808 0.570 -14.569 1.00 0.00 C ATOM 223 O SER A 14 5.549 1.239 -15.571 1.00 0.00 O ATOM 224 CB SER A 14 6.273 -1.719 -15.458 1.00 0.00 C ATOM 225 OG SER A 14 5.090 -2.242 -14.920 1.00 0.00 O ATOM 0 H SER A 14 6.360 -1.375 -12.746 1.00 0.00 H new ATOM 0 HA SER A 14 7.726 -0.200 -15.101 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.087 -1.373 -16.475 1.00 0.00 H new ATOM 0 HB3 SER A 14 7.022 -2.508 -15.522 1.00 0.00 H new ATOM 0 HG SER A 14 4.771 -2.977 -15.485 1.00 0.00 H new ATOM 231 N LYS A 15 5.240 0.789 -13.388 1.00 0.00 N ATOM 232 CA LYS A 15 4.147 1.742 -13.228 1.00 0.00 C ATOM 233 C LYS A 15 4.240 2.455 -11.884 1.00 0.00 C ATOM 234 O LYS A 15 4.732 1.893 -10.905 1.00 0.00 O ATOM 235 CB LYS A 15 2.796 1.036 -13.359 1.00 0.00 C ATOM 236 CG LYS A 15 1.590 1.961 -13.254 1.00 0.00 C ATOM 237 CD LYS A 15 0.292 1.209 -13.505 1.00 0.00 C ATOM 238 CE LYS A 15 -0.913 2.131 -13.392 1.00 0.00 C ATOM 239 NZ LYS A 15 -2.195 1.374 -13.403 1.00 0.00 N ATOM 0 H LYS A 15 5.519 0.319 -12.527 1.00 0.00 H new ATOM 0 HA LYS A 15 4.231 2.487 -14.019 1.00 0.00 H new ATOM 0 HB2 LYS A 15 2.761 0.520 -14.319 1.00 0.00 H new ATOM 0 HB3 LYS A 15 2.722 0.273 -12.584 1.00 0.00 H new ATOM 0 HG2 LYS A 15 1.563 2.416 -12.264 1.00 0.00 H new ATOM 0 HG3 LYS A 15 1.688 2.772 -13.975 1.00 0.00 H new ATOM 0 HD2 LYS A 15 0.316 0.759 -14.497 1.00 0.00 H new ATOM 0 HD3 LYS A 15 0.197 0.394 -12.788 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -0.842 2.710 -12.472 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -0.904 2.842 -14.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -2.990 2.035 -13.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -2.291 0.868 -14.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -2.201 0.689 -12.620 1.00 0.00 H new ATOM 253 N GLN A 16 3.764 3.696 -11.844 1.00 0.00 N ATOM 254 CA GLN A 16 3.674 4.438 -10.592 1.00 0.00 C ATOM 255 C GLN A 16 2.378 5.241 -10.529 1.00 0.00 C ATOM 256 O GLN A 16 1.886 5.729 -11.547 1.00 0.00 O ATOM 257 CB GLN A 16 4.874 5.376 -10.434 1.00 0.00 C ATOM 258 CG GLN A 16 6.190 4.664 -10.171 1.00 0.00 C ATOM 259 CD GLN A 16 7.331 5.630 -9.919 1.00 0.00 C ATOM 260 OE1 GLN A 16 7.138 6.849 -9.903 1.00 0.00 O ATOM 261 NE2 GLN A 16 8.529 5.091 -9.725 1.00 0.00 N ATOM 0 H GLN A 16 3.435 4.208 -12.663 1.00 0.00 H new ATOM 0 HA GLN A 16 3.679 3.717 -9.775 1.00 0.00 H new ATOM 0 HB2 GLN A 16 4.973 5.977 -11.338 1.00 0.00 H new ATOM 0 HB3 GLN A 16 4.676 6.066 -9.613 1.00 0.00 H new ATOM 0 HG2 GLN A 16 6.078 4.006 -9.309 1.00 0.00 H new ATOM 0 HG3 GLN A 16 6.435 4.032 -11.025 1.00 0.00 H new ATOM 0 HE21 GLN A 16 8.642 4.077 -9.747 1.00 0.00 H new ATOM 0 HE22 GLN A 16 9.336 5.690 -9.554 1.00 0.00 H new ATOM 270 N PHE A 17 1.830 5.377 -9.326 1.00 0.00 N ATOM 271 CA PHE A 17 0.667 6.230 -9.106 1.00 0.00 C ATOM 272 C PHE A 17 0.466 6.503 -7.619 1.00 0.00 C ATOM 273 O PHE A 17 1.042 5.826 -6.768 1.00 0.00 O ATOM 274 CB PHE A 17 -0.588 5.587 -9.701 1.00 0.00 C ATOM 275 CG PHE A 17 -0.928 4.252 -9.101 1.00 0.00 C ATOM 276 CD1 PHE A 17 -1.738 4.166 -7.979 1.00 0.00 C ATOM 277 CD2 PHE A 17 -0.436 3.081 -9.656 1.00 0.00 C ATOM 278 CE1 PHE A 17 -2.051 2.938 -7.426 1.00 0.00 C ATOM 279 CE2 PHE A 17 -0.747 1.853 -9.107 1.00 0.00 C ATOM 280 CZ PHE A 17 -1.556 1.782 -7.990 1.00 0.00 C ATOM 0 H PHE A 17 2.173 4.907 -8.488 1.00 0.00 H new ATOM 0 HA PHE A 17 0.845 7.181 -9.608 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -1.432 6.263 -9.562 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -0.449 5.467 -10.775 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -2.129 5.068 -7.532 1.00 0.00 H new ATOM 0 HD2 PHE A 17 0.198 3.130 -10.529 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -2.683 2.885 -6.552 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -0.358 0.949 -9.551 1.00 0.00 H new ATOM 0 HZ PHE A 17 -1.800 0.822 -7.559 1.00 0.00 H new ATOM 290 N THR A 18 -0.355 7.504 -7.314 1.00 0.00 N ATOM 291 CA THR A 18 -0.592 7.904 -5.932 1.00 0.00 C ATOM 292 C THR A 18 -2.027 7.611 -5.513 1.00 0.00 C ATOM 293 O THR A 18 -2.942 7.633 -6.337 1.00 0.00 O ATOM 294 CB THR A 18 -0.300 9.401 -5.721 1.00 0.00 C ATOM 295 OG1 THR A 18 -1.149 10.181 -6.573 1.00 0.00 O ATOM 296 CG2 THR A 18 1.154 9.712 -6.038 1.00 0.00 C ATOM 0 H THR A 18 -0.867 8.052 -8.005 1.00 0.00 H new ATOM 0 HA THR A 18 0.089 7.320 -5.313 1.00 0.00 H new ATOM 0 HB THR A 18 -0.494 9.649 -4.677 1.00 0.00 H new ATOM 0 HG1 THR A 18 -0.963 11.134 -6.436 1.00 0.00 H new ATOM 0 HG21 THR A 18 1.341 10.775 -5.883 1.00 0.00 H new ATOM 0 HG22 THR A 18 1.802 9.130 -5.382 1.00 0.00 H new ATOM 0 HG23 THR A 18 1.363 9.455 -7.076 1.00 0.00 H new ATOM 304 N VAL A 19 -2.219 7.336 -4.226 1.00 0.00 N ATOM 305 CA VAL A 19 -3.554 7.112 -3.683 1.00 0.00 C ATOM 306 C VAL A 19 -3.790 7.962 -2.439 1.00 0.00 C ATOM 307 O VAL A 19 -2.843 8.395 -1.784 1.00 0.00 O ATOM 308 CB VAL A 19 -3.779 5.629 -3.333 1.00 0.00 C ATOM 309 CG1 VAL A 19 -3.682 4.766 -4.582 1.00 0.00 C ATOM 310 CG2 VAL A 19 -2.772 5.169 -2.289 1.00 0.00 C ATOM 0 H VAL A 19 -1.467 7.263 -3.541 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.264 7.403 -4.458 1.00 0.00 H new ATOM 0 HB VAL A 19 -4.781 5.522 -2.917 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -3.844 3.721 -4.316 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -4.440 5.079 -5.300 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.693 4.879 -5.026 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -2.946 4.119 -2.054 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -1.762 5.291 -2.679 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -2.886 5.767 -1.385 1.00 0.00 H new ATOM 320 N GLU A 20 -5.059 8.193 -2.121 1.00 0.00 N ATOM 321 CA GLU A 20 -5.420 9.016 -0.972 1.00 0.00 C ATOM 322 C GLU A 20 -6.081 8.174 0.114 1.00 0.00 C ATOM 323 O GLU A 20 -7.080 7.496 -0.131 1.00 0.00 O ATOM 324 CB GLU A 20 -6.350 10.155 -1.397 1.00 0.00 C ATOM 325 CG GLU A 20 -6.756 11.090 -0.267 1.00 0.00 C ATOM 326 CD GLU A 20 -7.674 12.175 -0.760 1.00 0.00 C ATOM 327 OE1 GLU A 20 -7.983 12.181 -1.927 1.00 0.00 O ATOM 328 OE2 GLU A 20 -8.155 12.931 0.050 1.00 0.00 O ATOM 0 H GLU A 20 -5.854 7.823 -2.642 1.00 0.00 H new ATOM 0 HA GLU A 20 -4.505 9.445 -0.565 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -5.858 10.738 -2.176 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -7.250 9.727 -1.839 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -7.252 10.520 0.519 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -5.866 11.537 0.176 1.00 0.00 H new ATOM 335 N VAL A 21 -5.518 8.221 1.317 1.00 0.00 N ATOM 336 CA VAL A 21 -6.033 7.439 2.435 1.00 0.00 C ATOM 337 C VAL A 21 -6.066 8.265 3.715 1.00 0.00 C ATOM 338 O VAL A 21 -5.536 9.376 3.762 1.00 0.00 O ATOM 339 CB VAL A 21 -5.192 6.172 2.674 1.00 0.00 C ATOM 340 CG1 VAL A 21 -5.265 5.247 1.468 1.00 0.00 C ATOM 341 CG2 VAL A 21 -3.747 6.540 2.974 1.00 0.00 C ATOM 0 H VAL A 21 -4.704 8.793 1.543 1.00 0.00 H new ATOM 0 HA VAL A 21 -7.048 7.144 2.171 1.00 0.00 H new ATOM 0 HB VAL A 21 -5.601 5.646 3.537 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -4.664 4.357 1.655 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.301 4.956 1.295 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.882 5.765 0.589 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -3.167 5.632 3.140 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.328 7.088 2.130 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -3.708 7.164 3.867 1.00 0.00 H new ATOM 351 N ASP A 22 -6.692 7.718 4.750 1.00 0.00 N ATOM 352 CA ASP A 22 -6.740 8.377 6.051 1.00 0.00 C ATOM 353 C ASP A 22 -5.592 7.911 6.940 1.00 0.00 C ATOM 354 O ASP A 22 -5.166 6.758 6.868 1.00 0.00 O ATOM 355 CB ASP A 22 -8.082 8.113 6.738 1.00 0.00 C ATOM 356 CG ASP A 22 -8.397 9.059 7.889 1.00 0.00 C ATOM 357 OD1 ASP A 22 -7.693 9.026 8.869 1.00 0.00 O ATOM 358 OD2 ASP A 22 -9.235 9.912 7.717 1.00 0.00 O ATOM 0 H ASP A 22 -7.174 6.820 4.714 1.00 0.00 H new ATOM 0 HA ASP A 22 -6.635 9.450 5.889 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -8.877 8.186 5.996 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -8.089 7.089 7.113 1.00 0.00 H new ATOM 363 N ARG A 23 -5.095 8.815 7.778 1.00 0.00 N ATOM 364 CA ARG A 23 -3.970 8.509 8.653 1.00 0.00 C ATOM 365 C ARG A 23 -4.353 7.443 9.678 1.00 0.00 C ATOM 366 O ARG A 23 -3.522 6.634 10.088 1.00 0.00 O ATOM 367 CB ARG A 23 -3.405 9.753 9.322 1.00 0.00 C ATOM 368 CG ARG A 23 -2.199 9.507 10.217 1.00 0.00 C ATOM 369 CD ARG A 23 -1.593 10.741 10.779 1.00 0.00 C ATOM 370 NE ARG A 23 -0.540 10.504 11.754 1.00 0.00 N ATOM 371 CZ ARG A 23 0.094 11.471 12.445 1.00 0.00 C ATOM 372 NH1 ARG A 23 -0.186 12.740 12.247 1.00 0.00 N ATOM 373 NH2 ARG A 23 1.025 11.111 13.311 1.00 0.00 N ATOM 0 H ARG A 23 -5.454 9.765 7.869 1.00 0.00 H new ATOM 0 HA ARG A 23 -3.173 8.105 8.028 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -3.125 10.469 8.549 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -4.192 10.217 9.917 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -2.498 8.856 11.039 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -1.441 8.971 9.646 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -1.187 11.336 9.961 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -2.378 11.336 11.247 1.00 0.00 H new ATOM 0 HE ARG A 23 -0.262 9.538 11.927 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -0.893 13.005 11.561 1.00 0.00 H new ATOM 0 HH12 ARG A 23 0.304 13.459 12.779 1.00 0.00 H new ATOM 0 HH21 ARG A 23 1.246 10.124 13.441 1.00 0.00 H new ATOM 0 HH22 ARG A 23 1.523 11.820 13.849 1.00 0.00 H new ATOM 387 N THR A 24 -5.618 7.454 10.089 1.00 0.00 N ATOM 388 CA THR A 24 -6.079 6.581 11.161 1.00 0.00 C ATOM 389 C THR A 24 -6.567 5.247 10.612 1.00 0.00 C ATOM 390 O THR A 24 -6.906 4.339 11.372 1.00 0.00 O ATOM 391 CB THR A 24 -7.211 7.234 11.975 1.00 0.00 C ATOM 392 OG1 THR A 24 -8.357 7.428 11.136 1.00 0.00 O ATOM 393 CG2 THR A 24 -6.762 8.578 12.530 1.00 0.00 C ATOM 0 H THR A 24 -6.340 8.057 9.696 1.00 0.00 H new ATOM 0 HA THR A 24 -5.225 6.411 11.816 1.00 0.00 H new ATOM 0 HB THR A 24 -7.467 6.576 12.805 1.00 0.00 H new ATOM 0 HG1 THR A 24 -8.129 8.044 10.409 1.00 0.00 H new ATOM 0 HG21 THR A 24 -7.575 9.025 13.102 1.00 0.00 H new ATOM 0 HG22 THR A 24 -5.898 8.434 13.179 1.00 0.00 H new ATOM 0 HG23 THR A 24 -6.491 9.239 11.707 1.00 0.00 H new ATOM 401 N GLU A 25 -6.600 5.132 9.288 1.00 0.00 N ATOM 402 CA GLU A 25 -7.041 3.903 8.638 1.00 0.00 C ATOM 403 C GLU A 25 -5.925 2.863 8.627 1.00 0.00 C ATOM 404 O GLU A 25 -4.747 3.197 8.758 1.00 0.00 O ATOM 405 CB GLU A 25 -7.511 4.190 7.211 1.00 0.00 C ATOM 406 CG GLU A 25 -8.940 4.703 7.110 1.00 0.00 C ATOM 407 CD GLU A 25 -9.933 3.610 7.393 1.00 0.00 C ATOM 408 OE1 GLU A 25 -9.542 2.468 7.410 1.00 0.00 O ATOM 409 OE2 GLU A 25 -11.059 3.923 7.704 1.00 0.00 O ATOM 0 H GLU A 25 -6.327 5.875 8.645 1.00 0.00 H new ATOM 0 HA GLU A 25 -7.879 3.501 9.208 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -6.842 4.924 6.762 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -7.423 3.277 6.622 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -9.086 5.521 7.815 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -9.114 5.107 6.113 1.00 0.00 H new ATOM 416 N THR A 26 -6.304 1.598 8.472 1.00 0.00 N ATOM 417 CA THR A 26 -5.336 0.511 8.411 1.00 0.00 C ATOM 418 C THR A 26 -4.882 0.256 6.979 1.00 0.00 C ATOM 419 O THR A 26 -5.469 0.776 6.029 1.00 0.00 O ATOM 420 CB THR A 26 -5.911 -0.792 8.997 1.00 0.00 C ATOM 421 OG1 THR A 26 -7.098 -1.157 8.281 1.00 0.00 O ATOM 422 CG2 THR A 26 -6.246 -0.612 10.469 1.00 0.00 C ATOM 0 H THR A 26 -7.276 1.301 8.386 1.00 0.00 H new ATOM 0 HA THR A 26 -4.480 0.820 9.010 1.00 0.00 H new ATOM 0 HB THR A 26 -5.163 -1.579 8.899 1.00 0.00 H new ATOM 0 HG1 THR A 26 -7.549 -1.891 8.748 1.00 0.00 H new ATOM 0 HG21 THR A 26 -6.651 -1.543 10.866 1.00 0.00 H new ATOM 0 HG22 THR A 26 -5.343 -0.346 11.018 1.00 0.00 H new ATOM 0 HG23 THR A 26 -6.985 0.182 10.580 1.00 0.00 H new ATOM 430 N VAL A 27 -3.834 -0.547 6.829 1.00 0.00 N ATOM 431 CA VAL A 27 -3.267 -0.826 5.515 1.00 0.00 C ATOM 432 C VAL A 27 -4.258 -1.588 4.640 1.00 0.00 C ATOM 433 O VAL A 27 -4.136 -1.601 3.415 1.00 0.00 O ATOM 434 CB VAL A 27 -1.963 -1.638 5.623 1.00 0.00 C ATOM 435 CG1 VAL A 27 -0.877 -0.813 6.299 1.00 0.00 C ATOM 436 CG2 VAL A 27 -2.201 -2.931 6.390 1.00 0.00 C ATOM 0 H VAL A 27 -3.360 -1.016 7.601 1.00 0.00 H new ATOM 0 HA VAL A 27 -3.046 0.138 5.056 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.631 -1.890 4.616 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.038 -1.402 6.367 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.687 0.087 5.714 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.203 -0.532 7.300 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.269 -3.492 6.456 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.557 -2.698 7.394 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.948 -3.530 5.870 1.00 0.00 H new ATOM 446 N SER A 28 -5.238 -2.220 5.277 1.00 0.00 N ATOM 447 CA SER A 28 -6.267 -2.960 4.555 1.00 0.00 C ATOM 448 C SER A 28 -7.068 -2.033 3.648 1.00 0.00 C ATOM 449 O SER A 28 -7.564 -2.448 2.600 1.00 0.00 O ATOM 450 CB SER A 28 -7.183 -3.672 5.532 1.00 0.00 C ATOM 451 OG SER A 28 -7.946 -2.771 6.288 1.00 0.00 O ATOM 0 H SER A 28 -5.342 -2.235 6.292 1.00 0.00 H new ATOM 0 HA SER A 28 -5.778 -3.705 3.927 1.00 0.00 H new ATOM 0 HB2 SER A 28 -7.848 -4.340 4.985 1.00 0.00 H new ATOM 0 HB3 SER A 28 -6.587 -4.293 6.201 1.00 0.00 H new ATOM 0 HG SER A 28 -7.367 -2.311 6.931 1.00 0.00 H new ATOM 457 N SER A 29 -7.191 -0.775 4.057 1.00 0.00 N ATOM 458 CA SER A 29 -7.798 0.248 3.213 1.00 0.00 C ATOM 459 C SER A 29 -6.842 0.673 2.102 1.00 0.00 C ATOM 460 O SER A 29 -7.261 0.930 0.973 1.00 0.00 O ATOM 461 CB SER A 29 -8.203 1.446 4.051 1.00 0.00 C ATOM 462 OG SER A 29 -9.252 1.143 4.929 1.00 0.00 O ATOM 0 H SER A 29 -6.878 -0.439 4.968 1.00 0.00 H new ATOM 0 HA SER A 29 -8.690 -0.174 2.750 1.00 0.00 H new ATOM 0 HB2 SER A 29 -7.343 1.797 4.621 1.00 0.00 H new ATOM 0 HB3 SER A 29 -8.504 2.262 3.394 1.00 0.00 H new ATOM 0 HG SER A 29 -9.180 1.703 5.730 1.00 0.00 H new ATOM 468 N LEU A 30 -5.556 0.741 2.431 1.00 0.00 N ATOM 469 CA LEU A 30 -4.540 1.138 1.462 1.00 0.00 C ATOM 470 C LEU A 30 -4.436 0.116 0.333 1.00 0.00 C ATOM 471 O LEU A 30 -4.381 0.477 -0.843 1.00 0.00 O ATOM 472 CB LEU A 30 -3.183 1.311 2.155 1.00 0.00 C ATOM 473 CG LEU A 30 -2.016 1.663 1.224 1.00 0.00 C ATOM 474 CD1 LEU A 30 -2.295 2.977 0.509 1.00 0.00 C ATOM 475 CD2 LEU A 30 -0.730 1.752 2.034 1.00 0.00 C ATOM 0 H LEU A 30 -5.193 0.527 3.360 1.00 0.00 H new ATOM 0 HA LEU A 30 -4.836 2.093 1.028 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.275 2.093 2.909 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.941 0.388 2.682 1.00 0.00 H new ATOM 0 HG LEU A 30 -1.904 0.883 0.471 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -1.460 3.217 -0.149 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.207 2.884 -0.081 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -2.418 3.772 1.244 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.100 2.002 1.373 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.833 2.525 2.796 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.535 0.793 2.514 1.00 0.00 H new ATOM 487 N LYS A 31 -4.412 -1.161 0.699 1.00 0.00 N ATOM 488 CA LYS A 31 -4.248 -2.233 -0.275 1.00 0.00 C ATOM 489 C LYS A 31 -5.481 -2.350 -1.166 1.00 0.00 C ATOM 490 O LYS A 31 -5.381 -2.722 -2.335 1.00 0.00 O ATOM 491 CB LYS A 31 -3.977 -3.563 0.429 1.00 0.00 C ATOM 492 CG LYS A 31 -5.179 -4.146 1.160 1.00 0.00 C ATOM 493 CD LYS A 31 -4.796 -5.382 1.958 1.00 0.00 C ATOM 494 CE LYS A 31 -6.022 -6.061 2.551 1.00 0.00 C ATOM 495 NZ LYS A 31 -5.656 -7.218 3.412 1.00 0.00 N ATOM 0 H LYS A 31 -4.504 -1.479 1.664 1.00 0.00 H new ATOM 0 HA LYS A 31 -3.391 -1.990 -0.903 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -3.630 -4.286 -0.309 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -3.166 -3.423 1.143 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -5.600 -3.395 1.829 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -5.956 -4.402 0.440 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -4.266 -6.083 1.314 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -4.110 -5.103 2.758 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -6.589 -5.338 3.137 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -6.674 -6.400 1.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -6.520 -7.703 3.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -5.065 -7.881 2.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -5.127 -6.880 4.241 1.00 0.00 H new ATOM 509 N ASP A 32 -6.643 -2.030 -0.606 1.00 0.00 N ATOM 510 CA ASP A 32 -7.874 -1.962 -1.385 1.00 0.00 C ATOM 511 C ASP A 32 -7.743 -0.951 -2.520 1.00 0.00 C ATOM 512 O ASP A 32 -8.156 -1.212 -3.649 1.00 0.00 O ATOM 513 CB ASP A 32 -9.059 -1.600 -0.486 1.00 0.00 C ATOM 514 CG ASP A 32 -9.549 -2.740 0.398 1.00 0.00 C ATOM 515 OD1 ASP A 32 -9.133 -3.854 0.183 1.00 0.00 O ATOM 516 OD2 ASP A 32 -10.207 -2.466 1.373 1.00 0.00 O ATOM 0 H ASP A 32 -6.758 -1.814 0.384 1.00 0.00 H new ATOM 0 HA ASP A 32 -8.054 -2.945 -1.820 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -8.775 -0.761 0.149 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -9.884 -1.261 -1.112 1.00 0.00 H new ATOM 521 N LYS A 33 -7.169 0.206 -2.210 1.00 0.00 N ATOM 522 CA LYS A 33 -6.963 1.249 -3.208 1.00 0.00 C ATOM 523 C LYS A 33 -6.039 0.764 -4.321 1.00 0.00 C ATOM 524 O LYS A 33 -6.276 1.033 -5.498 1.00 0.00 O ATOM 525 CB LYS A 33 -6.389 2.509 -2.557 1.00 0.00 C ATOM 526 CG LYS A 33 -7.366 3.251 -1.655 1.00 0.00 C ATOM 527 CD LYS A 33 -8.482 3.898 -2.462 1.00 0.00 C ATOM 528 CE LYS A 33 -9.387 4.744 -1.578 1.00 0.00 C ATOM 529 NZ LYS A 33 -10.493 5.372 -2.352 1.00 0.00 N ATOM 0 H LYS A 33 -6.838 0.445 -1.275 1.00 0.00 H new ATOM 0 HA LYS A 33 -7.931 1.491 -3.647 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -5.511 2.234 -1.973 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -6.051 3.187 -3.341 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -7.793 2.558 -0.930 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -6.833 4.015 -1.089 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -8.052 4.520 -3.247 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -9.072 3.125 -2.955 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -9.806 4.122 -0.787 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -8.797 5.522 -1.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -11.086 5.939 -1.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -10.095 5.986 -3.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -11.072 4.630 -2.794 1.00 0.00 H new ATOM 543 N ILE A 34 -4.987 0.045 -3.939 1.00 0.00 N ATOM 544 CA ILE A 34 -4.081 -0.554 -4.910 1.00 0.00 C ATOM 545 C ILE A 34 -4.810 -1.557 -5.797 1.00 0.00 C ATOM 546 O ILE A 34 -4.594 -1.603 -7.008 1.00 0.00 O ATOM 547 CB ILE A 34 -2.898 -1.258 -4.219 1.00 0.00 C ATOM 548 CG1 ILE A 34 -2.009 -0.233 -3.510 1.00 0.00 C ATOM 549 CG2 ILE A 34 -2.092 -2.059 -5.229 1.00 0.00 C ATOM 550 CD1 ILE A 34 -1.014 -0.847 -2.551 1.00 0.00 C ATOM 0 H ILE A 34 -4.743 -0.136 -2.965 1.00 0.00 H new ATOM 0 HA ILE A 34 -3.697 0.259 -5.526 1.00 0.00 H new ATOM 0 HB ILE A 34 -3.292 -1.947 -3.472 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.468 0.345 -4.259 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.642 0.467 -2.964 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.260 -2.550 -4.724 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.731 -2.812 -5.690 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -1.706 -1.391 -5.998 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.421 -0.058 -2.088 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -1.547 -1.401 -1.779 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -0.355 -1.525 -3.094 1.00 0.00 H new ATOM 562 N HIS A 35 -5.677 -2.358 -5.187 1.00 0.00 N ATOM 563 CA HIS A 35 -6.420 -3.379 -5.917 1.00 0.00 C ATOM 564 C HIS A 35 -7.420 -2.743 -6.876 1.00 0.00 C ATOM 565 O HIS A 35 -7.660 -3.255 -7.970 1.00 0.00 O ATOM 566 CB HIS A 35 -7.143 -4.321 -4.950 1.00 0.00 C ATOM 567 CG HIS A 35 -8.006 -5.338 -5.632 1.00 0.00 C ATOM 568 ND1 HIS A 35 -7.487 -6.338 -6.427 1.00 0.00 N ATOM 569 CD2 HIS A 35 -9.348 -5.508 -5.638 1.00 0.00 C ATOM 570 CE1 HIS A 35 -8.476 -7.081 -6.893 1.00 0.00 C ATOM 571 NE2 HIS A 35 -9.614 -6.599 -6.429 1.00 0.00 N ATOM 0 H HIS A 35 -5.883 -2.320 -4.189 1.00 0.00 H new ATOM 0 HA HIS A 35 -5.704 -3.960 -6.499 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -6.403 -4.837 -4.338 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -7.760 -3.729 -4.273 1.00 0.00 H new ATOM 0 HD1 HIS A 35 -6.497 -6.482 -6.624 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -10.074 -4.900 -5.118 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -8.371 -7.937 -7.543 1.00 0.00 H new ATOM 578 N ILE A 36 -8.003 -1.623 -6.459 1.00 0.00 N ATOM 579 CA ILE A 36 -8.961 -0.906 -7.291 1.00 0.00 C ATOM 580 C ILE A 36 -8.294 -0.356 -8.547 1.00 0.00 C ATOM 581 O ILE A 36 -8.846 -0.439 -9.643 1.00 0.00 O ATOM 582 CB ILE A 36 -9.621 0.252 -6.520 1.00 0.00 C ATOM 583 CG1 ILE A 36 -10.551 -0.292 -5.433 1.00 0.00 C ATOM 584 CG2 ILE A 36 -10.385 1.158 -7.474 1.00 0.00 C ATOM 585 CD1 ILE A 36 -10.995 0.750 -4.431 1.00 0.00 C ATOM 0 H ILE A 36 -7.828 -1.193 -5.551 1.00 0.00 H new ATOM 0 HA ILE A 36 -9.730 -1.623 -7.577 1.00 0.00 H new ATOM 0 HB ILE A 36 -8.839 0.840 -6.040 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -11.432 -0.726 -5.906 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -10.043 -1.098 -4.904 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -10.845 1.971 -6.913 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -9.698 1.570 -8.213 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -11.160 0.582 -7.980 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -11.651 0.289 -3.693 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -10.122 1.168 -3.930 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -11.532 1.546 -4.947 1.00 0.00 H new ATOM 597 N VAL A 37 -7.100 0.206 -8.379 1.00 0.00 N ATOM 598 CA VAL A 37 -6.355 0.769 -9.500 1.00 0.00 C ATOM 599 C VAL A 37 -5.807 -0.330 -10.403 1.00 0.00 C ATOM 600 O VAL A 37 -5.830 -0.210 -11.626 1.00 0.00 O ATOM 601 CB VAL A 37 -5.189 1.648 -9.013 1.00 0.00 C ATOM 602 CG1 VAL A 37 -4.318 2.075 -10.184 1.00 0.00 C ATOM 603 CG2 VAL A 37 -5.713 2.861 -8.259 1.00 0.00 C ATOM 0 H VAL A 37 -6.628 0.283 -7.478 1.00 0.00 H new ATOM 0 HA VAL A 37 -7.053 1.386 -10.067 1.00 0.00 H new ATOM 0 HB VAL A 37 -4.576 1.061 -8.329 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -3.499 2.696 -9.821 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -3.913 1.191 -10.677 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -4.917 2.644 -10.895 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -4.874 3.470 -7.922 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -6.350 3.452 -8.918 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -6.291 2.531 -7.396 1.00 0.00 H new ATOM 613 N GLU A 38 -5.316 -1.402 -9.789 1.00 0.00 N ATOM 614 CA GLU A 38 -4.684 -2.485 -10.534 1.00 0.00 C ATOM 615 C GLU A 38 -5.685 -3.598 -10.830 1.00 0.00 C ATOM 616 O GLU A 38 -6.872 -3.477 -10.525 1.00 0.00 O ATOM 617 CB GLU A 38 -3.488 -3.043 -9.758 1.00 0.00 C ATOM 618 CG GLU A 38 -2.349 -2.053 -9.564 1.00 0.00 C ATOM 619 CD GLU A 38 -1.810 -1.575 -10.883 1.00 0.00 C ATOM 620 OE1 GLU A 38 -1.449 -2.398 -11.689 1.00 0.00 O ATOM 621 OE2 GLU A 38 -1.861 -0.393 -11.129 1.00 0.00 O ATOM 0 H GLU A 38 -5.344 -1.544 -8.779 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.329 -2.081 -11.482 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -3.830 -3.381 -8.780 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -3.107 -3.919 -10.282 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.700 -1.201 -8.982 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -1.550 -2.523 -8.991 1.00 0.00 H new ATOM 628 N ASN A 39 -5.199 -4.681 -11.427 1.00 0.00 N ATOM 629 CA ASN A 39 -6.060 -5.794 -11.810 1.00 0.00 C ATOM 630 C ASN A 39 -5.568 -7.099 -11.194 1.00 0.00 C ATOM 631 O ASN A 39 -5.868 -8.186 -11.690 1.00 0.00 O ATOM 632 CB ASN A 39 -6.160 -5.927 -13.319 1.00 0.00 C ATOM 633 CG ASN A 39 -4.842 -6.201 -13.990 1.00 0.00 C ATOM 634 OD1 ASN A 39 -3.805 -6.343 -13.333 1.00 0.00 O ATOM 635 ND2 ASN A 39 -4.864 -6.194 -15.299 1.00 0.00 N ATOM 0 H ASN A 39 -4.214 -4.812 -11.656 1.00 0.00 H new ATOM 0 HA ASN A 39 -7.057 -5.582 -11.425 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -6.854 -6.732 -13.559 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -6.583 -5.010 -13.729 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -3.997 -6.309 -15.824 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -5.748 -6.073 -15.794 1.00 0.00 H new ATOM 642 N THR A 40 -4.808 -6.986 -10.108 1.00 0.00 N ATOM 643 CA THR A 40 -4.282 -8.156 -9.418 1.00 0.00 C ATOM 644 C THR A 40 -4.900 -8.301 -8.032 1.00 0.00 C ATOM 645 O THR A 40 -4.942 -7.357 -7.244 1.00 0.00 O ATOM 646 CB THR A 40 -2.749 -8.090 -9.283 1.00 0.00 C ATOM 647 OG1 THR A 40 -2.151 -8.099 -10.585 1.00 0.00 O ATOM 648 CG2 THR A 40 -2.232 -9.277 -8.483 1.00 0.00 C ATOM 0 H THR A 40 -4.544 -6.095 -9.688 1.00 0.00 H new ATOM 0 HA THR A 40 -4.546 -9.024 -10.022 1.00 0.00 H new ATOM 0 HB THR A 40 -2.485 -7.170 -8.761 1.00 0.00 H new ATOM 0 HG1 THR A 40 -1.924 -9.019 -10.834 1.00 0.00 H new ATOM 0 HG21 THR A 40 -1.147 -9.214 -8.398 1.00 0.00 H new ATOM 0 HG22 THR A 40 -2.675 -9.266 -7.487 1.00 0.00 H new ATOM 0 HG23 THR A 40 -2.503 -10.203 -8.990 1.00 0.00 H new ATOM 656 N PRO A 41 -5.388 -9.511 -7.725 1.00 0.00 N ATOM 657 CA PRO A 41 -6.004 -9.811 -6.428 1.00 0.00 C ATOM 658 C PRO A 41 -5.092 -9.457 -5.258 1.00 0.00 C ATOM 659 O PRO A 41 -3.874 -9.616 -5.339 1.00 0.00 O ATOM 660 CB PRO A 41 -6.287 -11.315 -6.493 1.00 0.00 C ATOM 661 CG PRO A 41 -6.442 -11.601 -7.948 1.00 0.00 C ATOM 662 CD PRO A 41 -5.457 -10.696 -8.640 1.00 0.00 C ATOM 0 HA PRO A 41 -6.905 -9.222 -6.256 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -5.470 -11.892 -6.060 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -7.189 -11.574 -5.939 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -6.234 -12.648 -8.167 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -7.460 -11.402 -8.281 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -4.484 -11.173 -8.757 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -5.797 -10.417 -9.637 1.00 0.00 H new ATOM 670 N ILE A 42 -5.689 -8.977 -4.173 1.00 0.00 N ATOM 671 CA ILE A 42 -4.930 -8.602 -2.987 1.00 0.00 C ATOM 672 C ILE A 42 -4.155 -9.792 -2.431 1.00 0.00 C ATOM 673 O ILE A 42 -3.042 -9.643 -1.928 1.00 0.00 O ATOM 674 CB ILE A 42 -5.847 -8.037 -1.886 1.00 0.00 C ATOM 675 CG1 ILE A 42 -6.402 -6.672 -2.301 1.00 0.00 C ATOM 676 CG2 ILE A 42 -5.094 -7.931 -0.569 1.00 0.00 C ATOM 677 CD1 ILE A 42 -7.499 -6.157 -1.398 1.00 0.00 C ATOM 0 H ILE A 42 -6.696 -8.839 -4.091 1.00 0.00 H new ATOM 0 HA ILE A 42 -4.228 -7.827 -3.294 1.00 0.00 H new ATOM 0 HB ILE A 42 -6.684 -8.721 -1.748 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -5.587 -5.948 -2.315 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -6.785 -6.741 -3.319 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -5.757 -7.530 0.198 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -4.747 -8.919 -0.268 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -4.238 -7.268 -0.692 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -7.840 -5.186 -1.757 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -8.333 -6.859 -1.402 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -7.116 -6.054 -0.383 1.00 0.00 H new ATOM 689 N LYS A 43 -4.752 -10.976 -2.524 1.00 0.00 N ATOM 690 CA LYS A 43 -4.127 -12.191 -2.017 1.00 0.00 C ATOM 691 C LYS A 43 -2.859 -12.517 -2.799 1.00 0.00 C ATOM 692 O LYS A 43 -1.983 -13.232 -2.310 1.00 0.00 O ATOM 693 CB LYS A 43 -5.104 -13.366 -2.082 1.00 0.00 C ATOM 694 CG LYS A 43 -6.276 -13.263 -1.115 1.00 0.00 C ATOM 695 CD LYS A 43 -7.214 -14.453 -1.256 1.00 0.00 C ATOM 696 CE LYS A 43 -8.372 -14.365 -0.271 1.00 0.00 C ATOM 697 NZ LYS A 43 -9.311 -15.511 -0.412 1.00 0.00 N ATOM 0 H LYS A 43 -5.669 -11.119 -2.947 1.00 0.00 H new ATOM 0 HA LYS A 43 -3.855 -12.020 -0.976 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.492 -13.444 -3.097 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -4.559 -14.288 -1.877 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -5.903 -13.210 -0.092 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -6.825 -12.340 -1.302 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -7.602 -14.494 -2.274 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -6.660 -15.377 -1.088 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -7.982 -14.339 0.746 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -8.912 -13.432 -0.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -10.084 -15.413 0.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -9.704 -15.522 -1.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -8.802 -16.401 -0.236 1.00 0.00 H new ATOM 711 N ARG A 44 -2.765 -11.987 -4.014 1.00 0.00 N ATOM 712 CA ARG A 44 -1.594 -12.204 -4.853 1.00 0.00 C ATOM 713 C ARG A 44 -0.644 -11.013 -4.783 1.00 0.00 C ATOM 714 O ARG A 44 0.561 -11.154 -4.990 1.00 0.00 O ATOM 715 CB ARG A 44 -1.970 -12.536 -6.291 1.00 0.00 C ATOM 716 CG ARG A 44 -2.787 -13.806 -6.461 1.00 0.00 C ATOM 717 CD ARG A 44 -3.279 -14.037 -7.844 1.00 0.00 C ATOM 718 NE ARG A 44 -4.145 -15.195 -7.990 1.00 0.00 N ATOM 719 CZ ARG A 44 -4.769 -15.545 -9.132 1.00 0.00 C ATOM 720 NH1 ARG A 44 -4.658 -14.810 -10.217 1.00 0.00 N ATOM 721 NH2 ARG A 44 -5.517 -16.634 -9.126 1.00 0.00 N ATOM 0 H ARG A 44 -3.486 -11.404 -4.439 1.00 0.00 H new ATOM 0 HA ARG A 44 -1.071 -13.075 -4.459 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -2.533 -11.700 -6.706 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -1.056 -12.628 -6.878 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -2.179 -14.658 -6.157 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -3.642 -13.767 -5.786 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -3.819 -13.151 -8.177 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -2.421 -14.155 -8.506 1.00 0.00 H new ATOM 0 HE ARG A 44 -4.291 -15.784 -7.170 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -4.093 -13.961 -10.202 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -5.137 -15.089 -11.073 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -5.610 -17.184 -8.272 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -6.002 -16.924 -9.975 1.00 0.00 H new ATOM 735 N MET A 45 -1.195 -9.841 -4.487 1.00 0.00 N ATOM 736 CA MET A 45 -0.399 -8.621 -4.407 1.00 0.00 C ATOM 737 C MET A 45 0.401 -8.578 -3.109 1.00 0.00 C ATOM 738 O MET A 45 -0.132 -8.843 -2.032 1.00 0.00 O ATOM 739 CB MET A 45 -1.298 -7.392 -4.516 1.00 0.00 C ATOM 740 CG MET A 45 -0.557 -6.063 -4.477 1.00 0.00 C ATOM 741 SD MET A 45 -0.263 -5.481 -2.796 1.00 0.00 S ATOM 742 CE MET A 45 -1.893 -4.882 -2.355 1.00 0.00 C ATOM 0 H MET A 45 -2.189 -9.710 -4.299 1.00 0.00 H new ATOM 0 HA MET A 45 0.303 -8.618 -5.241 1.00 0.00 H new ATOM 0 HB2 MET A 45 -1.863 -7.452 -5.447 1.00 0.00 H new ATOM 0 HB3 MET A 45 -2.022 -7.414 -3.702 1.00 0.00 H new ATOM 0 HG2 MET A 45 0.397 -6.168 -4.993 1.00 0.00 H new ATOM 0 HG3 MET A 45 -1.133 -5.314 -5.021 1.00 0.00 H new ATOM 0 HE1 MET A 45 -1.797 -4.005 -1.715 1.00 0.00 H new ATOM 0 HE2 MET A 45 -2.439 -4.614 -3.259 1.00 0.00 H new ATOM 0 HE3 MET A 45 -2.435 -5.663 -1.822 1.00 0.00 H new ATOM 752 N GLN A 46 1.683 -8.244 -3.220 1.00 0.00 N ATOM 753 CA GLN A 46 2.530 -8.067 -2.047 1.00 0.00 C ATOM 754 C GLN A 46 2.816 -6.590 -1.800 1.00 0.00 C ATOM 755 O GLN A 46 3.160 -5.850 -2.723 1.00 0.00 O ATOM 756 CB GLN A 46 3.848 -8.828 -2.215 1.00 0.00 C ATOM 757 CG GLN A 46 4.758 -8.774 -1.000 1.00 0.00 C ATOM 758 CD GLN A 46 6.015 -9.604 -1.180 1.00 0.00 C ATOM 759 OE1 GLN A 46 6.258 -10.164 -2.254 1.00 0.00 O ATOM 760 NE2 GLN A 46 6.820 -9.694 -0.128 1.00 0.00 N ATOM 0 H GLN A 46 2.157 -8.091 -4.110 1.00 0.00 H new ATOM 0 HA GLN A 46 1.995 -8.468 -1.186 1.00 0.00 H new ATOM 0 HB2 GLN A 46 3.626 -9.871 -2.442 1.00 0.00 H new ATOM 0 HB3 GLN A 46 4.382 -8.421 -3.074 1.00 0.00 H new ATOM 0 HG2 GLN A 46 5.035 -7.738 -0.803 1.00 0.00 H new ATOM 0 HG3 GLN A 46 4.213 -9.130 -0.126 1.00 0.00 H new ATOM 0 HE21 GLN A 46 6.580 -9.215 0.740 1.00 0.00 H new ATOM 0 HE22 GLN A 46 7.678 -10.242 -0.188 1.00 0.00 H new ATOM 769 N LEU A 47 2.672 -6.166 -0.549 1.00 0.00 N ATOM 770 CA LEU A 47 2.709 -4.747 -0.214 1.00 0.00 C ATOM 771 C LEU A 47 3.845 -4.447 0.759 1.00 0.00 C ATOM 772 O LEU A 47 3.800 -4.845 1.923 1.00 0.00 O ATOM 773 CB LEU A 47 1.365 -4.306 0.381 1.00 0.00 C ATOM 774 CG LEU A 47 1.332 -2.874 0.929 1.00 0.00 C ATOM 775 CD1 LEU A 47 1.678 -1.884 -0.175 1.00 0.00 C ATOM 776 CD2 LEU A 47 -0.047 -2.581 1.503 1.00 0.00 C ATOM 0 H LEU A 47 2.529 -6.784 0.249 1.00 0.00 H new ATOM 0 HA LEU A 47 2.889 -4.184 -1.130 1.00 0.00 H new ATOM 0 HB2 LEU A 47 0.597 -4.402 -0.387 1.00 0.00 H new ATOM 0 HB3 LEU A 47 1.099 -4.992 1.185 1.00 0.00 H new ATOM 0 HG LEU A 47 2.072 -2.771 1.723 1.00 0.00 H new ATOM 0 HD11 LEU A 47 1.652 -0.870 0.224 1.00 0.00 H new ATOM 0 HD12 LEU A 47 2.676 -2.098 -0.556 1.00 0.00 H new ATOM 0 HD13 LEU A 47 0.954 -1.974 -0.985 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -0.070 -1.563 1.892 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.797 -2.687 0.719 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.262 -3.283 2.309 1.00 0.00 H new ATOM 788 N TYR A 48 4.861 -3.741 0.275 1.00 0.00 N ATOM 789 CA TYR A 48 6.006 -3.381 1.104 1.00 0.00 C ATOM 790 C TYR A 48 6.103 -1.868 1.269 1.00 0.00 C ATOM 791 O TYR A 48 5.895 -1.113 0.318 1.00 0.00 O ATOM 792 CB TYR A 48 7.299 -3.930 0.499 1.00 0.00 C ATOM 793 CG TYR A 48 8.555 -3.429 1.177 1.00 0.00 C ATOM 794 CD1 TYR A 48 8.975 -3.966 2.385 1.00 0.00 C ATOM 795 CD2 TYR A 48 9.317 -2.420 0.607 1.00 0.00 C ATOM 796 CE1 TYR A 48 10.120 -3.511 3.010 1.00 0.00 C ATOM 797 CE2 TYR A 48 10.465 -1.958 1.222 1.00 0.00 C ATOM 798 CZ TYR A 48 10.863 -2.506 2.424 1.00 0.00 C ATOM 799 OH TYR A 48 12.006 -2.051 3.040 1.00 0.00 O ATOM 0 H TYR A 48 4.915 -3.407 -0.687 1.00 0.00 H new ATOM 0 HA TYR A 48 5.863 -3.826 2.089 1.00 0.00 H new ATOM 0 HB2 TYR A 48 7.279 -5.019 0.551 1.00 0.00 H new ATOM 0 HB3 TYR A 48 7.337 -3.662 -0.557 1.00 0.00 H new ATOM 0 HD1 TYR A 48 8.397 -4.754 2.845 1.00 0.00 H new ATOM 0 HD2 TYR A 48 9.008 -1.988 -0.333 1.00 0.00 H new ATOM 0 HE1 TYR A 48 10.432 -3.939 3.951 1.00 0.00 H new ATOM 0 HE2 TYR A 48 11.048 -1.172 0.764 1.00 0.00 H new ATOM 0 HH TYR A 48 12.535 -1.528 2.402 1.00 0.00 H new ATOM 809 N TYR A 49 6.422 -1.429 2.481 1.00 0.00 N ATOM 810 CA TYR A 49 6.650 -0.014 2.749 1.00 0.00 C ATOM 811 C TYR A 49 8.100 0.237 3.152 1.00 0.00 C ATOM 812 O TYR A 49 8.677 -0.516 3.935 1.00 0.00 O ATOM 813 CB TYR A 49 5.703 0.483 3.843 1.00 0.00 C ATOM 814 CG TYR A 49 6.070 1.839 4.402 1.00 0.00 C ATOM 815 CD1 TYR A 49 6.130 2.956 3.581 1.00 0.00 C ATOM 816 CD2 TYR A 49 6.356 2.000 5.750 1.00 0.00 C ATOM 817 CE1 TYR A 49 6.466 4.198 4.087 1.00 0.00 C ATOM 818 CE2 TYR A 49 6.693 3.236 6.266 1.00 0.00 C ATOM 819 CZ TYR A 49 6.747 4.332 5.432 1.00 0.00 C ATOM 820 OH TYR A 49 7.080 5.566 5.941 1.00 0.00 O ATOM 0 H TYR A 49 6.529 -2.034 3.295 1.00 0.00 H new ATOM 0 HA TYR A 49 6.448 0.540 1.832 1.00 0.00 H new ATOM 0 HB2 TYR A 49 4.691 0.529 3.441 1.00 0.00 H new ATOM 0 HB3 TYR A 49 5.690 -0.243 4.656 1.00 0.00 H new ATOM 0 HD1 TYR A 49 5.910 2.853 2.529 1.00 0.00 H new ATOM 0 HD2 TYR A 49 6.314 1.144 6.407 1.00 0.00 H new ATOM 0 HE1 TYR A 49 6.508 5.058 3.434 1.00 0.00 H new ATOM 0 HE2 TYR A 49 6.913 3.343 7.318 1.00 0.00 H new ATOM 0 HH TYR A 49 6.482 5.785 6.685 1.00 0.00 H new ATOM 830 N SER A 50 8.680 1.303 2.611 1.00 0.00 N ATOM 831 CA SER A 50 10.031 1.711 2.986 1.00 0.00 C ATOM 832 C SER A 50 10.345 1.294 4.420 1.00 0.00 C ATOM 833 O SER A 50 9.893 1.926 5.374 1.00 0.00 O ATOM 834 CB SER A 50 10.190 3.209 2.821 1.00 0.00 C ATOM 835 OG SER A 50 11.477 3.643 3.164 1.00 0.00 O ATOM 0 H SER A 50 8.237 1.900 1.912 1.00 0.00 H new ATOM 0 HA SER A 50 10.738 1.209 2.325 1.00 0.00 H new ATOM 0 HB2 SER A 50 9.979 3.484 1.788 1.00 0.00 H new ATOM 0 HB3 SER A 50 9.457 3.722 3.444 1.00 0.00 H new ATOM 0 HG SER A 50 11.538 4.613 3.042 1.00 0.00 H new ATOM 841 N GLY A 51 11.124 0.227 4.563 1.00 0.00 N ATOM 842 CA GLY A 51 11.467 -0.269 5.882 1.00 0.00 C ATOM 843 C GLY A 51 10.611 -1.449 6.301 1.00 0.00 C ATOM 844 O GLY A 51 11.043 -2.598 6.215 1.00 0.00 O ATOM 0 H GLY A 51 11.524 -0.303 3.789 1.00 0.00 H new ATOM 0 HA2 GLY A 51 12.516 -0.563 5.894 1.00 0.00 H new ATOM 0 HA3 GLY A 51 11.353 0.535 6.610 1.00 0.00 H new ATOM 848 N ILE A 52 9.396 -1.162 6.754 1.00 0.00 N ATOM 849 CA ILE A 52 8.514 -2.198 7.281 1.00 0.00 C ATOM 850 C ILE A 52 7.533 -2.678 6.216 1.00 0.00 C ATOM 851 O ILE A 52 6.883 -1.872 5.549 1.00 0.00 O ATOM 852 CB ILE A 52 7.727 -1.699 8.506 1.00 0.00 C ATOM 853 CG1 ILE A 52 8.685 -1.306 9.633 1.00 0.00 C ATOM 854 CG2 ILE A 52 6.751 -2.765 8.980 1.00 0.00 C ATOM 855 CD1 ILE A 52 8.015 -0.585 10.781 1.00 0.00 C ATOM 0 H ILE A 52 8.999 -0.222 6.767 1.00 0.00 H new ATOM 0 HA ILE A 52 9.150 -3.030 7.585 1.00 0.00 H new ATOM 0 HB ILE A 52 7.157 -0.816 8.216 1.00 0.00 H new ATOM 0 HG12 ILE A 52 9.170 -2.204 10.014 1.00 0.00 H new ATOM 0 HG13 ILE A 52 9.469 -0.669 9.225 1.00 0.00 H new ATOM 0 HG21 ILE A 52 6.202 -2.396 9.847 1.00 0.00 H new ATOM 0 HG22 ILE A 52 6.050 -2.998 8.179 1.00 0.00 H new ATOM 0 HG23 ILE A 52 7.301 -3.665 9.254 1.00 0.00 H new ATOM 0 HD11 ILE A 52 8.758 -0.340 11.540 1.00 0.00 H new ATOM 0 HD12 ILE A 52 7.554 0.332 10.415 1.00 0.00 H new ATOM 0 HD13 ILE A 52 7.250 -1.227 11.217 1.00 0.00 H new ATOM 867 N GLU A 53 7.431 -3.994 6.064 1.00 0.00 N ATOM 868 CA GLU A 53 6.432 -4.587 5.181 1.00 0.00 C ATOM 869 C GLU A 53 5.041 -4.508 5.803 1.00 0.00 C ATOM 870 O GLU A 53 4.859 -4.812 6.983 1.00 0.00 O ATOM 871 CB GLU A 53 6.789 -6.040 4.864 1.00 0.00 C ATOM 872 CG GLU A 53 5.810 -6.739 3.931 1.00 0.00 C ATOM 873 CD GLU A 53 6.265 -8.134 3.609 1.00 0.00 C ATOM 874 OE1 GLU A 53 6.470 -8.898 4.521 1.00 0.00 O ATOM 875 OE2 GLU A 53 6.299 -8.474 2.449 1.00 0.00 O ATOM 0 H GLU A 53 8.027 -4.671 6.540 1.00 0.00 H new ATOM 0 HA GLU A 53 6.425 -4.019 4.251 1.00 0.00 H new ATOM 0 HB2 GLU A 53 7.782 -6.068 4.416 1.00 0.00 H new ATOM 0 HB3 GLU A 53 6.845 -6.600 5.798 1.00 0.00 H new ATOM 0 HG2 GLU A 53 4.824 -6.774 4.394 1.00 0.00 H new ATOM 0 HG3 GLU A 53 5.709 -6.165 3.010 1.00 0.00 H new ATOM 882 N LEU A 54 4.064 -4.100 5.002 1.00 0.00 N ATOM 883 CA LEU A 54 2.724 -3.823 5.510 1.00 0.00 C ATOM 884 C LEU A 54 1.887 -5.098 5.558 1.00 0.00 C ATOM 885 O LEU A 54 0.880 -5.218 4.859 1.00 0.00 O ATOM 886 CB LEU A 54 2.035 -2.763 4.643 1.00 0.00 C ATOM 887 CG LEU A 54 2.807 -1.447 4.484 1.00 0.00 C ATOM 888 CD1 LEU A 54 2.009 -0.473 3.628 1.00 0.00 C ATOM 889 CD2 LEU A 54 3.086 -0.853 5.857 1.00 0.00 C ATOM 0 H LEU A 54 4.173 -3.953 3.999 1.00 0.00 H new ATOM 0 HA LEU A 54 2.816 -3.439 6.526 1.00 0.00 H new ATOM 0 HB2 LEU A 54 1.859 -3.184 3.653 1.00 0.00 H new ATOM 0 HB3 LEU A 54 1.058 -2.543 5.074 1.00 0.00 H new ATOM 0 HG LEU A 54 3.756 -1.641 3.985 1.00 0.00 H new ATOM 0 HD11 LEU A 54 2.566 0.458 3.521 1.00 0.00 H new ATOM 0 HD12 LEU A 54 1.839 -0.909 2.644 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.050 -0.270 4.106 1.00 0.00 H new ATOM 0 HD21 LEU A 54 3.635 0.082 5.744 1.00 0.00 H new ATOM 0 HD22 LEU A 54 2.143 -0.661 6.369 1.00 0.00 H new ATOM 0 HD23 LEU A 54 3.681 -1.554 6.443 1.00 0.00 H new ATOM 901 N ALA A 55 2.307 -6.046 6.389 1.00 0.00 N ATOM 902 CA ALA A 55 1.768 -7.398 6.340 1.00 0.00 C ATOM 903 C ALA A 55 0.540 -7.533 7.233 1.00 0.00 C ATOM 904 O ALA A 55 -0.354 -8.336 6.961 1.00 0.00 O ATOM 905 CB ALA A 55 2.833 -8.406 6.749 1.00 0.00 C ATOM 0 H ALA A 55 3.019 -5.902 7.105 1.00 0.00 H new ATOM 0 HA ALA A 55 1.463 -7.603 5.314 1.00 0.00 H new ATOM 0 HB1 ALA A 55 2.416 -9.412 6.708 1.00 0.00 H new ATOM 0 HB2 ALA A 55 3.681 -8.336 6.068 1.00 0.00 H new ATOM 0 HB3 ALA A 55 3.165 -8.192 7.765 1.00 0.00 H new ATOM 911 N ASP A 56 0.502 -6.744 8.301 1.00 0.00 N ATOM 912 CA ASP A 56 -0.505 -6.912 9.341 1.00 0.00 C ATOM 913 C ASP A 56 -1.706 -6.005 9.087 1.00 0.00 C ATOM 914 O ASP A 56 -1.576 -4.782 9.055 1.00 0.00 O ATOM 915 CB ASP A 56 0.092 -6.623 10.721 1.00 0.00 C ATOM 916 CG ASP A 56 1.075 -7.677 11.213 1.00 0.00 C ATOM 917 OD1 ASP A 56 1.100 -8.746 10.653 1.00 0.00 O ATOM 918 OD2 ASP A 56 1.898 -7.353 12.037 1.00 0.00 O ATOM 0 H ASP A 56 1.158 -5.981 8.469 1.00 0.00 H new ATOM 0 HA ASP A 56 -0.844 -7.948 9.316 1.00 0.00 H new ATOM 0 HB2 ASP A 56 0.598 -5.658 10.690 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -0.719 -6.535 11.443 1.00 0.00 H new ATOM 923 N ASP A 57 -2.873 -6.615 8.905 1.00 0.00 N ATOM 924 CA ASP A 57 -4.071 -5.875 8.527 1.00 0.00 C ATOM 925 C ASP A 57 -4.540 -4.980 9.671 1.00 0.00 C ATOM 926 O ASP A 57 -5.038 -3.877 9.445 1.00 0.00 O ATOM 927 CB ASP A 57 -5.190 -6.835 8.115 1.00 0.00 C ATOM 928 CG ASP A 57 -5.011 -7.454 6.735 1.00 0.00 C ATOM 929 OD1 ASP A 57 -4.253 -6.920 5.959 1.00 0.00 O ATOM 930 OD2 ASP A 57 -5.505 -8.536 6.523 1.00 0.00 O ATOM 0 H ASP A 57 -3.014 -7.619 9.013 1.00 0.00 H new ATOM 0 HA ASP A 57 -3.821 -5.243 7.675 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -5.256 -7.635 8.853 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -6.139 -6.299 8.139 1.00 0.00 H new ATOM 935 N TYR A 58 -4.377 -5.463 10.897 1.00 0.00 N ATOM 936 CA TYR A 58 -4.951 -4.799 12.063 1.00 0.00 C ATOM 937 C TYR A 58 -4.113 -3.591 12.468 1.00 0.00 C ATOM 938 O TYR A 58 -4.542 -2.765 13.271 1.00 0.00 O ATOM 939 CB TYR A 58 -5.066 -5.776 13.235 1.00 0.00 C ATOM 940 CG TYR A 58 -3.741 -6.118 13.880 1.00 0.00 C ATOM 941 CD1 TYR A 58 -2.968 -7.165 13.403 1.00 0.00 C ATOM 942 CD2 TYR A 58 -3.270 -5.396 14.967 1.00 0.00 C ATOM 943 CE1 TYR A 58 -1.757 -7.483 13.989 1.00 0.00 C ATOM 944 CE2 TYR A 58 -2.062 -5.704 15.560 1.00 0.00 C ATOM 945 CZ TYR A 58 -1.308 -6.750 15.068 1.00 0.00 C ATOM 946 OH TYR A 58 -0.104 -7.062 15.656 1.00 0.00 O ATOM 0 H TYR A 58 -3.853 -6.311 11.110 1.00 0.00 H new ATOM 0 HA TYR A 58 -5.949 -4.452 11.795 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -5.726 -5.347 13.989 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -5.536 -6.695 12.885 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -3.318 -7.742 12.560 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -3.859 -4.579 15.356 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -1.166 -8.301 13.604 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -1.709 -5.130 16.404 1.00 0.00 H new ATOM 0 HH TYR A 58 0.500 -7.441 14.984 1.00 0.00 H new ATOM 956 N ARG A 59 -2.913 -3.495 11.902 1.00 0.00 N ATOM 957 CA ARG A 59 -2.021 -2.378 12.189 1.00 0.00 C ATOM 958 C ARG A 59 -2.416 -1.146 11.382 1.00 0.00 C ATOM 959 O ARG A 59 -2.778 -1.246 10.210 1.00 0.00 O ATOM 960 CB ARG A 59 -0.558 -2.740 11.976 1.00 0.00 C ATOM 961 CG ARG A 59 -0.007 -3.771 12.947 1.00 0.00 C ATOM 962 CD ARG A 59 0.364 -3.223 14.277 1.00 0.00 C ATOM 963 NE ARG A 59 0.751 -4.226 15.256 1.00 0.00 N ATOM 964 CZ ARG A 59 1.208 -3.952 16.494 1.00 0.00 C ATOM 965 NH1 ARG A 59 1.375 -2.711 16.894 1.00 0.00 N ATOM 966 NH2 ARG A 59 1.510 -4.965 17.286 1.00 0.00 N ATOM 0 H ARG A 59 -2.537 -4.177 11.243 1.00 0.00 H new ATOM 0 HA ARG A 59 -2.131 -2.139 13.247 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -0.436 -3.117 10.961 1.00 0.00 H new ATOM 0 HB3 ARG A 59 0.041 -1.833 12.053 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -0.750 -4.556 13.085 1.00 0.00 H new ATOM 0 HG3 ARG A 59 0.871 -4.239 12.502 1.00 0.00 H new ATOM 0 HD2 ARG A 59 1.188 -2.521 14.150 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -0.480 -2.656 14.670 1.00 0.00 H new ATOM 0 HE ARG A 59 0.671 -5.207 14.987 1.00 0.00 H new ATOM 0 HH11 ARG A 59 1.158 -1.939 16.264 1.00 0.00 H new ATOM 0 HH12 ARG A 59 1.722 -2.520 17.834 1.00 0.00 H new ATOM 0 HH21 ARG A 59 1.395 -5.923 16.955 1.00 0.00 H new ATOM 0 HH22 ARG A 59 1.858 -4.789 18.228 1.00 0.00 H new ATOM 980 N ASN A 60 -2.348 0.020 12.020 1.00 0.00 N ATOM 981 CA ASN A 60 -2.756 1.266 11.381 1.00 0.00 C ATOM 982 C ASN A 60 -1.624 1.839 10.535 1.00 0.00 C ATOM 983 O ASN A 60 -0.450 1.536 10.759 1.00 0.00 O ATOM 984 CB ASN A 60 -3.221 2.288 12.402 1.00 0.00 C ATOM 985 CG ASN A 60 -4.493 1.905 13.106 1.00 0.00 C ATOM 986 OD1 ASN A 60 -5.549 1.750 12.483 1.00 0.00 O ATOM 987 ND2 ASN A 60 -4.416 1.830 14.411 1.00 0.00 N ATOM 0 H ASN A 60 -2.014 0.127 12.978 1.00 0.00 H new ATOM 0 HA ASN A 60 -3.597 1.037 10.727 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -2.435 2.431 13.143 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.367 3.246 11.903 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -5.253 1.636 14.961 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -3.519 1.966 14.878 1.00 0.00 H new ATOM 994 N LEU A 61 -1.982 2.671 9.562 1.00 0.00 N ATOM 995 CA LEU A 61 -0.992 3.350 8.733 1.00 0.00 C ATOM 996 C LEU A 61 -0.059 4.203 9.587 1.00 0.00 C ATOM 997 O LEU A 61 1.149 4.237 9.357 1.00 0.00 O ATOM 998 CB LEU A 61 -1.689 4.213 7.675 1.00 0.00 C ATOM 999 CG LEU A 61 -2.420 3.434 6.574 1.00 0.00 C ATOM 1000 CD1 LEU A 61 -3.298 4.377 5.762 1.00 0.00 C ATOM 1001 CD2 LEU A 61 -1.403 2.740 5.681 1.00 0.00 C ATOM 0 H LEU A 61 -2.950 2.891 9.328 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.391 2.593 8.229 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -2.407 4.863 8.175 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.945 4.859 7.208 1.00 0.00 H new ATOM 0 HG LEU A 61 -3.061 2.678 7.028 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.813 3.815 4.983 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -4.033 4.845 6.417 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -2.678 5.147 5.304 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -1.923 2.187 4.899 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.750 3.485 5.226 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -0.806 2.050 6.277 1.00 0.00 H new ATOM 1013 N ASN A 62 -0.628 4.887 10.575 1.00 0.00 N ATOM 1014 CA ASN A 62 0.161 5.686 11.504 1.00 0.00 C ATOM 1015 C ASN A 62 1.143 4.810 12.276 1.00 0.00 C ATOM 1016 O ASN A 62 2.281 5.208 12.524 1.00 0.00 O ATOM 1017 CB ASN A 62 -0.725 6.459 12.464 1.00 0.00 C ATOM 1018 CG ASN A 62 0.037 7.334 13.419 1.00 0.00 C ATOM 1019 OD1 ASN A 62 0.750 8.259 13.013 1.00 0.00 O ATOM 1020 ND2 ASN A 62 -0.045 6.998 14.682 1.00 0.00 N ATOM 0 H ASN A 62 -1.632 4.903 10.752 1.00 0.00 H new ATOM 0 HA ASN A 62 0.727 6.407 10.915 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -1.415 7.078 11.890 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -1.329 5.754 13.035 1.00 0.00 H new ATOM 0 HD21 ASN A 62 0.495 7.508 15.381 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -0.648 6.226 14.966 1.00 0.00 H new ATOM 1027 N GLU A 63 0.693 3.619 12.653 1.00 0.00 N ATOM 1028 CA GLU A 63 1.519 2.703 13.434 1.00 0.00 C ATOM 1029 C GLU A 63 2.701 2.201 12.611 1.00 0.00 C ATOM 1030 O GLU A 63 3.752 1.860 13.155 1.00 0.00 O ATOM 1031 CB GLU A 63 0.685 1.523 13.936 1.00 0.00 C ATOM 1032 CG GLU A 63 -0.273 1.866 15.069 1.00 0.00 C ATOM 1033 CD GLU A 63 -1.177 0.708 15.389 1.00 0.00 C ATOM 1034 OE1 GLU A 63 -1.196 -0.233 14.633 1.00 0.00 O ATOM 1035 OE2 GLU A 63 -1.765 0.714 16.445 1.00 0.00 O ATOM 0 H GLU A 63 -0.237 3.264 12.432 1.00 0.00 H new ATOM 0 HA GLU A 63 1.906 3.248 14.295 1.00 0.00 H new ATOM 0 HB2 GLU A 63 0.112 1.118 13.102 1.00 0.00 H new ATOM 0 HB3 GLU A 63 1.359 0.735 14.272 1.00 0.00 H new ATOM 0 HG2 GLU A 63 0.295 2.143 15.957 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -0.873 2.733 14.791 1.00 0.00 H new ATOM 1042 N TYR A 64 2.522 2.157 11.295 1.00 0.00 N ATOM 1043 CA TYR A 64 3.589 1.741 10.392 1.00 0.00 C ATOM 1044 C TYR A 64 4.570 2.882 10.145 1.00 0.00 C ATOM 1045 O TYR A 64 5.698 2.663 9.706 1.00 0.00 O ATOM 1046 CB TYR A 64 3.008 1.248 9.065 1.00 0.00 C ATOM 1047 CG TYR A 64 2.535 -0.188 9.098 1.00 0.00 C ATOM 1048 CD1 TYR A 64 3.437 -1.232 9.235 1.00 0.00 C ATOM 1049 CD2 TYR A 64 1.186 -0.497 8.993 1.00 0.00 C ATOM 1050 CE1 TYR A 64 3.011 -2.545 9.266 1.00 0.00 C ATOM 1051 CE2 TYR A 64 0.747 -1.807 9.023 1.00 0.00 C ATOM 1052 CZ TYR A 64 1.665 -2.829 9.159 1.00 0.00 C ATOM 1053 OH TYR A 64 1.234 -4.136 9.189 1.00 0.00 O ATOM 0 H TYR A 64 1.648 2.404 10.830 1.00 0.00 H new ATOM 0 HA TYR A 64 4.129 0.921 10.865 1.00 0.00 H new ATOM 0 HB2 TYR A 64 2.172 1.889 8.785 1.00 0.00 H new ATOM 0 HB3 TYR A 64 3.764 1.353 8.287 1.00 0.00 H new ATOM 0 HD1 TYR A 64 4.492 -1.014 9.319 1.00 0.00 H new ATOM 0 HD2 TYR A 64 0.466 0.301 8.886 1.00 0.00 H new ATOM 0 HE1 TYR A 64 3.728 -3.346 9.373 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -0.307 -2.030 8.941 1.00 0.00 H new ATOM 0 HH TYR A 64 0.257 -4.160 9.119 1.00 0.00 H new ATOM 1063 N GLY A 65 4.131 4.104 10.431 1.00 0.00 N ATOM 1064 CA GLY A 65 4.930 5.273 10.114 1.00 0.00 C ATOM 1065 C GLY A 65 4.633 5.820 8.731 1.00 0.00 C ATOM 1066 O GLY A 65 5.502 6.411 8.091 1.00 0.00 O ATOM 0 H GLY A 65 3.236 4.305 10.877 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.743 6.049 10.856 1.00 0.00 H new ATOM 0 HA3 GLY A 65 5.987 5.016 10.181 1.00 0.00 H new ATOM 1070 N ILE A 66 3.403 5.623 8.270 1.00 0.00 N ATOM 1071 CA ILE A 66 2.998 6.088 6.949 1.00 0.00 C ATOM 1072 C ILE A 66 2.674 7.578 6.968 1.00 0.00 C ATOM 1073 O ILE A 66 1.715 8.009 7.608 1.00 0.00 O ATOM 1074 CB ILE A 66 1.776 5.312 6.425 1.00 0.00 C ATOM 1075 CG1 ILE A 66 2.061 3.807 6.424 1.00 0.00 C ATOM 1076 CG2 ILE A 66 1.403 5.788 5.029 1.00 0.00 C ATOM 1077 CD1 ILE A 66 3.100 3.383 5.412 1.00 0.00 C ATOM 0 H ILE A 66 2.669 5.144 8.792 1.00 0.00 H new ATOM 0 HA ILE A 66 3.840 5.910 6.280 1.00 0.00 H new ATOM 0 HB ILE A 66 0.932 5.502 7.089 1.00 0.00 H new ATOM 0 HG12 ILE A 66 2.393 3.509 7.418 1.00 0.00 H new ATOM 0 HG13 ILE A 66 1.133 3.271 6.224 1.00 0.00 H new ATOM 0 HG21 ILE A 66 0.537 5.229 4.673 1.00 0.00 H new ATOM 0 HG22 ILE A 66 1.162 6.851 5.059 1.00 0.00 H new ATOM 0 HG23 ILE A 66 2.242 5.626 4.353 1.00 0.00 H new ATOM 0 HD11 ILE A 66 3.247 2.305 5.472 1.00 0.00 H new ATOM 0 HD12 ILE A 66 2.762 3.648 4.410 1.00 0.00 H new ATOM 0 HD13 ILE A 66 4.042 3.890 5.623 1.00 0.00 H new ATOM 1089 N THR A 67 3.479 8.362 6.257 1.00 0.00 N ATOM 1090 CA THR A 67 3.329 9.812 6.255 1.00 0.00 C ATOM 1091 C THR A 67 2.676 10.295 4.964 1.00 0.00 C ATOM 1092 O THR A 67 2.370 9.498 4.078 1.00 0.00 O ATOM 1093 CB THR A 67 4.685 10.521 6.430 1.00 0.00 C ATOM 1094 OG1 THR A 67 5.491 10.312 5.262 1.00 0.00 O ATOM 1095 CG2 THR A 67 5.416 9.980 7.649 1.00 0.00 C ATOM 0 H THR A 67 4.242 8.017 5.675 1.00 0.00 H new ATOM 0 HA THR A 67 2.688 10.063 7.100 1.00 0.00 H new ATOM 0 HB THR A 67 4.505 11.587 6.570 1.00 0.00 H new ATOM 0 HG1 THR A 67 6.353 10.765 5.374 1.00 0.00 H new ATOM 0 HG21 THR A 67 6.372 10.492 7.757 1.00 0.00 H new ATOM 0 HG22 THR A 67 4.811 10.148 8.540 1.00 0.00 H new ATOM 0 HG23 THR A 67 5.589 8.911 7.525 1.00 0.00 H new ATOM 1103 N GLU A 68 2.465 11.604 4.867 1.00 0.00 N ATOM 1104 CA GLU A 68 1.859 12.192 3.679 1.00 0.00 C ATOM 1105 C GLU A 68 2.691 11.888 2.436 1.00 0.00 C ATOM 1106 O GLU A 68 2.166 11.835 1.323 1.00 0.00 O ATOM 1107 CB GLU A 68 1.701 13.705 3.850 1.00 0.00 C ATOM 1108 CG GLU A 68 1.056 14.409 2.663 1.00 0.00 C ATOM 1109 CD GLU A 68 0.888 15.879 2.926 1.00 0.00 C ATOM 1110 OE1 GLU A 68 1.269 16.322 3.983 1.00 0.00 O ATOM 1111 OE2 GLU A 68 0.483 16.579 2.028 1.00 0.00 O ATOM 0 H GLU A 68 2.705 12.276 5.596 1.00 0.00 H new ATOM 0 HA GLU A 68 0.872 11.748 3.550 1.00 0.00 H new ATOM 0 HB2 GLU A 68 1.102 13.897 4.740 1.00 0.00 H new ATOM 0 HB3 GLU A 68 2.683 14.143 4.026 1.00 0.00 H new ATOM 0 HG2 GLU A 68 1.670 14.264 1.774 1.00 0.00 H new ATOM 0 HG3 GLU A 68 0.084 13.961 2.456 1.00 0.00 H new ATOM 1118 N PHE A 69 3.989 11.686 2.634 1.00 0.00 N ATOM 1119 CA PHE A 69 4.910 11.487 1.521 1.00 0.00 C ATOM 1120 C PHE A 69 5.411 10.048 1.479 1.00 0.00 C ATOM 1121 O PHE A 69 6.435 9.752 0.864 1.00 0.00 O ATOM 1122 CB PHE A 69 6.091 12.455 1.623 1.00 0.00 C ATOM 1123 CG PHE A 69 5.690 13.902 1.640 1.00 0.00 C ATOM 1124 CD1 PHE A 69 5.378 14.565 0.463 1.00 0.00 C ATOM 1125 CD2 PHE A 69 5.622 14.604 2.835 1.00 0.00 C ATOM 1126 CE1 PHE A 69 5.009 15.896 0.477 1.00 0.00 C ATOM 1127 CE2 PHE A 69 5.252 15.936 2.851 1.00 0.00 C ATOM 1128 CZ PHE A 69 4.946 16.582 1.673 1.00 0.00 C ATOM 0 H PHE A 69 4.427 11.656 3.555 1.00 0.00 H new ATOM 0 HA PHE A 69 4.370 11.689 0.596 1.00 0.00 H new ATOM 0 HB2 PHE A 69 6.653 12.233 2.530 1.00 0.00 H new ATOM 0 HB3 PHE A 69 6.763 12.284 0.782 1.00 0.00 H new ATOM 0 HD1 PHE A 69 5.424 14.034 -0.476 1.00 0.00 H new ATOM 0 HD2 PHE A 69 5.861 14.105 3.762 1.00 0.00 H new ATOM 0 HE1 PHE A 69 4.770 16.400 -0.448 1.00 0.00 H new ATOM 0 HE2 PHE A 69 5.203 16.471 3.788 1.00 0.00 H new ATOM 0 HZ PHE A 69 4.658 17.623 1.686 1.00 0.00 H new ATOM 1138 N SER A 70 4.680 9.154 2.139 1.00 0.00 N ATOM 1139 CA SER A 70 5.086 7.757 2.238 1.00 0.00 C ATOM 1140 C SER A 70 5.287 7.150 0.851 1.00 0.00 C ATOM 1141 O SER A 70 4.577 7.492 -0.094 1.00 0.00 O ATOM 1142 CB SER A 70 4.055 6.967 3.020 1.00 0.00 C ATOM 1143 OG SER A 70 2.826 6.898 2.351 1.00 0.00 O ATOM 0 H SER A 70 3.804 9.373 2.613 1.00 0.00 H new ATOM 0 HA SER A 70 6.038 7.711 2.768 1.00 0.00 H new ATOM 0 HB2 SER A 70 4.429 5.958 3.196 1.00 0.00 H new ATOM 0 HB3 SER A 70 3.910 7.428 3.997 1.00 0.00 H new ATOM 0 HG SER A 70 2.265 7.655 2.619 1.00 0.00 H new ATOM 1149 N GLU A 71 6.257 6.248 0.742 1.00 0.00 N ATOM 1150 CA GLU A 71 6.523 5.565 -0.517 1.00 0.00 C ATOM 1151 C GLU A 71 6.511 4.051 -0.328 1.00 0.00 C ATOM 1152 O GLU A 71 7.320 3.502 0.421 1.00 0.00 O ATOM 1153 CB GLU A 71 7.866 6.015 -1.100 1.00 0.00 C ATOM 1154 CG GLU A 71 7.902 7.470 -1.546 1.00 0.00 C ATOM 1155 CD GLU A 71 9.244 7.832 -2.118 1.00 0.00 C ATOM 1156 OE1 GLU A 71 10.083 6.968 -2.208 1.00 0.00 O ATOM 1157 OE2 GLU A 71 9.395 8.942 -2.570 1.00 0.00 O ATOM 0 H GLU A 71 6.870 5.974 1.509 1.00 0.00 H new ATOM 0 HA GLU A 71 5.731 5.830 -1.218 1.00 0.00 H new ATOM 0 HB2 GLU A 71 8.644 5.857 -0.353 1.00 0.00 H new ATOM 0 HB3 GLU A 71 8.109 5.380 -1.952 1.00 0.00 H new ATOM 0 HG2 GLU A 71 7.127 7.643 -2.293 1.00 0.00 H new ATOM 0 HG3 GLU A 71 7.678 8.118 -0.699 1.00 0.00 H new ATOM 1164 N ILE A 72 5.591 3.381 -1.013 1.00 0.00 N ATOM 1165 CA ILE A 72 5.444 1.936 -0.884 1.00 0.00 C ATOM 1166 C ILE A 72 5.756 1.235 -2.201 1.00 0.00 C ATOM 1167 O ILE A 72 5.434 1.738 -3.279 1.00 0.00 O ATOM 1168 CB ILE A 72 4.025 1.551 -0.430 1.00 0.00 C ATOM 1169 CG1 ILE A 72 2.986 2.059 -1.432 1.00 0.00 C ATOM 1170 CG2 ILE A 72 3.743 2.102 0.959 1.00 0.00 C ATOM 1171 CD1 ILE A 72 1.591 1.533 -1.186 1.00 0.00 C ATOM 0 H ILE A 72 4.936 3.815 -1.663 1.00 0.00 H new ATOM 0 HA ILE A 72 6.156 1.612 -0.125 1.00 0.00 H new ATOM 0 HB ILE A 72 3.959 0.464 -0.388 1.00 0.00 H new ATOM 0 HG12 ILE A 72 2.964 3.148 -1.398 1.00 0.00 H new ATOM 0 HG13 ILE A 72 3.298 1.778 -2.438 1.00 0.00 H new ATOM 0 HG21 ILE A 72 2.735 1.820 1.264 1.00 0.00 H new ATOM 0 HG22 ILE A 72 4.464 1.693 1.666 1.00 0.00 H new ATOM 0 HG23 ILE A 72 3.827 3.189 0.943 1.00 0.00 H new ATOM 0 HD11 ILE A 72 0.912 1.938 -1.937 1.00 0.00 H new ATOM 0 HD12 ILE A 72 1.596 0.445 -1.250 1.00 0.00 H new ATOM 0 HD13 ILE A 72 1.257 1.837 -0.194 1.00 0.00 H new ATOM 1183 N VAL A 73 6.383 0.066 -2.109 1.00 0.00 N ATOM 1184 CA VAL A 73 6.688 -0.733 -3.290 1.00 0.00 C ATOM 1185 C VAL A 73 5.810 -1.978 -3.353 1.00 0.00 C ATOM 1186 O VAL A 73 5.738 -2.749 -2.397 1.00 0.00 O ATOM 1187 CB VAL A 73 8.168 -1.158 -3.318 1.00 0.00 C ATOM 1188 CG1 VAL A 73 8.456 -2.008 -4.546 1.00 0.00 C ATOM 1189 CG2 VAL A 73 9.074 0.064 -3.292 1.00 0.00 C ATOM 0 H VAL A 73 6.689 -0.348 -1.229 1.00 0.00 H new ATOM 0 HA VAL A 73 6.485 -0.104 -4.157 1.00 0.00 H new ATOM 0 HB VAL A 73 8.371 -1.757 -2.430 1.00 0.00 H new ATOM 0 HG11 VAL A 73 9.506 -2.299 -4.549 1.00 0.00 H new ATOM 0 HG12 VAL A 73 7.832 -2.901 -4.525 1.00 0.00 H new ATOM 0 HG13 VAL A 73 8.236 -1.434 -5.446 1.00 0.00 H new ATOM 0 HG21 VAL A 73 10.116 -0.255 -3.312 1.00 0.00 H new ATOM 0 HG22 VAL A 73 8.869 0.688 -4.162 1.00 0.00 H new ATOM 0 HG23 VAL A 73 8.887 0.636 -2.383 1.00 0.00 H new ATOM 1199 N VAL A 74 5.143 -2.167 -4.487 1.00 0.00 N ATOM 1200 CA VAL A 74 4.123 -3.202 -4.610 1.00 0.00 C ATOM 1201 C VAL A 74 4.505 -4.227 -5.673 1.00 0.00 C ATOM 1202 O VAL A 74 4.872 -3.870 -6.792 1.00 0.00 O ATOM 1203 CB VAL A 74 2.748 -2.601 -4.961 1.00 0.00 C ATOM 1204 CG1 VAL A 74 1.694 -3.696 -5.043 1.00 0.00 C ATOM 1205 CG2 VAL A 74 2.348 -1.553 -3.934 1.00 0.00 C ATOM 0 H VAL A 74 5.290 -1.617 -5.333 1.00 0.00 H new ATOM 0 HA VAL A 74 4.056 -3.695 -3.640 1.00 0.00 H new ATOM 0 HB VAL A 74 2.821 -2.119 -5.936 1.00 0.00 H new ATOM 0 HG11 VAL A 74 0.729 -3.254 -5.292 1.00 0.00 H new ATOM 0 HG12 VAL A 74 1.974 -4.414 -5.814 1.00 0.00 H new ATOM 0 HG13 VAL A 74 1.623 -4.205 -4.082 1.00 0.00 H new ATOM 0 HG21 VAL A 74 1.375 -1.139 -4.197 1.00 0.00 H new ATOM 0 HG22 VAL A 74 2.292 -2.013 -2.947 1.00 0.00 H new ATOM 0 HG23 VAL A 74 3.090 -0.755 -3.920 1.00 0.00 H new ATOM 1215 N PHE A 75 4.415 -5.503 -5.314 1.00 0.00 N ATOM 1216 CA PHE A 75 4.825 -6.580 -6.207 1.00 0.00 C ATOM 1217 C PHE A 75 3.624 -7.410 -6.648 1.00 0.00 C ATOM 1218 O PHE A 75 2.713 -7.669 -5.861 1.00 0.00 O ATOM 1219 CB PHE A 75 5.865 -7.473 -5.528 1.00 0.00 C ATOM 1220 CG PHE A 75 7.111 -6.743 -5.112 1.00 0.00 C ATOM 1221 CD1 PHE A 75 8.165 -6.579 -5.998 1.00 0.00 C ATOM 1222 CD2 PHE A 75 7.231 -6.220 -3.833 1.00 0.00 C ATOM 1223 CE1 PHE A 75 9.311 -5.910 -5.617 1.00 0.00 C ATOM 1224 CE2 PHE A 75 8.377 -5.550 -3.449 1.00 0.00 C ATOM 1225 CZ PHE A 75 9.417 -5.395 -4.341 1.00 0.00 C ATOM 0 H PHE A 75 4.061 -5.817 -4.410 1.00 0.00 H new ATOM 0 HA PHE A 75 5.274 -6.131 -7.093 1.00 0.00 H new ATOM 0 HB2 PHE A 75 5.415 -7.935 -4.649 1.00 0.00 H new ATOM 0 HB3 PHE A 75 6.138 -8.280 -6.208 1.00 0.00 H new ATOM 0 HD1 PHE A 75 8.089 -6.979 -6.998 1.00 0.00 H new ATOM 0 HD2 PHE A 75 6.420 -6.338 -3.130 1.00 0.00 H new ATOM 0 HE1 PHE A 75 10.124 -5.790 -6.317 1.00 0.00 H new ATOM 0 HE2 PHE A 75 8.458 -5.148 -2.450 1.00 0.00 H new ATOM 0 HZ PHE A 75 10.313 -4.871 -4.042 1.00 0.00 H new ATOM 1235 N LEU A 76 3.628 -7.824 -7.910 1.00 0.00 N ATOM 1236 CA LEU A 76 2.497 -8.547 -8.481 1.00 0.00 C ATOM 1237 C LEU A 76 2.820 -10.030 -8.634 1.00 0.00 C ATOM 1238 O LEU A 76 3.899 -10.396 -9.101 1.00 0.00 O ATOM 1239 CB LEU A 76 2.107 -7.942 -9.836 1.00 0.00 C ATOM 1240 CG LEU A 76 1.645 -6.481 -9.788 1.00 0.00 C ATOM 1241 CD1 LEU A 76 1.348 -5.981 -11.196 1.00 0.00 C ATOM 1242 CD2 LEU A 76 0.412 -6.365 -8.904 1.00 0.00 C ATOM 0 H LEU A 76 4.401 -7.672 -8.557 1.00 0.00 H new ATOM 0 HA LEU A 76 1.652 -8.452 -7.799 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.962 -8.014 -10.508 1.00 0.00 H new ATOM 0 HB3 LEU A 76 1.309 -8.545 -10.269 1.00 0.00 H new ATOM 0 HG LEU A 76 2.438 -5.863 -9.366 1.00 0.00 H new ATOM 0 HD11 LEU A 76 1.021 -4.942 -11.152 1.00 0.00 H new ATOM 0 HD12 LEU A 76 2.249 -6.052 -11.805 1.00 0.00 H new ATOM 0 HD13 LEU A 76 0.561 -6.591 -11.640 1.00 0.00 H new ATOM 0 HD21 LEU A 76 0.085 -5.326 -8.871 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.387 -6.984 -9.311 1.00 0.00 H new ATOM 0 HD23 LEU A 76 0.654 -6.702 -7.896 1.00 0.00 H new ATOM 1254 N LYS A 77 1.879 -10.879 -8.239 1.00 0.00 N ATOM 1255 CA LYS A 77 1.972 -12.308 -8.514 1.00 0.00 C ATOM 1256 C LYS A 77 0.775 -12.784 -9.332 1.00 0.00 C ATOM 1257 O LYS A 77 -0.096 -13.490 -8.822 1.00 0.00 O ATOM 1258 CB LYS A 77 2.069 -13.101 -7.210 1.00 0.00 C ATOM 1259 CG LYS A 77 3.326 -12.822 -6.397 1.00 0.00 C ATOM 1260 CD LYS A 77 3.397 -13.712 -5.165 1.00 0.00 C ATOM 1261 CE LYS A 77 4.634 -13.408 -4.333 1.00 0.00 C ATOM 1262 NZ LYS A 77 4.714 -14.269 -3.121 1.00 0.00 N ATOM 0 H LYS A 77 1.042 -10.602 -7.727 1.00 0.00 H new ATOM 0 HA LYS A 77 2.877 -12.480 -9.097 1.00 0.00 H new ATOM 0 HB2 LYS A 77 1.197 -12.876 -6.596 1.00 0.00 H new ATOM 0 HB3 LYS A 77 2.030 -14.165 -7.442 1.00 0.00 H new ATOM 0 HG2 LYS A 77 4.207 -12.986 -7.018 1.00 0.00 H new ATOM 0 HG3 LYS A 77 3.340 -11.775 -6.093 1.00 0.00 H new ATOM 0 HD2 LYS A 77 2.503 -13.568 -4.558 1.00 0.00 H new ATOM 0 HD3 LYS A 77 3.410 -14.758 -5.470 1.00 0.00 H new ATOM 0 HE2 LYS A 77 5.526 -13.555 -4.942 1.00 0.00 H new ATOM 0 HE3 LYS A 77 4.621 -12.360 -4.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 5.571 -14.030 -2.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 3.875 -14.111 -2.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 4.752 -15.268 -3.407 1.00 0.00 H new ATOM 1276 N SER A 78 0.739 -12.395 -10.602 1.00 0.00 N ATOM 1277 CA SER A 78 -0.312 -12.839 -11.509 1.00 0.00 C ATOM 1278 C SER A 78 0.182 -12.846 -12.953 1.00 0.00 C ATOM 1279 O SER A 78 1.024 -12.031 -13.336 1.00 0.00 O ATOM 1280 CB SER A 78 -1.532 -11.952 -11.370 1.00 0.00 C ATOM 1281 OG SER A 78 -1.285 -10.644 -11.806 1.00 0.00 O ATOM 0 H SER A 78 1.427 -11.772 -11.026 1.00 0.00 H new ATOM 0 HA SER A 78 -0.588 -13.859 -11.242 1.00 0.00 H new ATOM 0 HB2 SER A 78 -2.355 -12.376 -11.945 1.00 0.00 H new ATOM 0 HB3 SER A 78 -1.848 -11.932 -10.327 1.00 0.00 H new ATOM 0 HG SER A 78 -0.431 -10.615 -12.286 1.00 0.00 H new ATOM 1287 N ILE A 79 -0.344 -13.771 -13.748 1.00 0.00 N ATOM 1288 CA ILE A 79 0.017 -13.862 -15.156 1.00 0.00 C ATOM 1289 C ILE A 79 -1.109 -13.345 -16.047 1.00 0.00 C ATOM 1290 O ILE A 79 -0.907 -12.441 -16.856 1.00 0.00 O ATOM 1291 CB ILE A 79 0.357 -15.307 -15.561 1.00 0.00 C ATOM 1292 CG1 ILE A 79 1.563 -15.815 -14.765 1.00 0.00 C ATOM 1293 CG2 ILE A 79 0.628 -15.393 -17.055 1.00 0.00 C ATOM 1294 CD1 ILE A 79 1.845 -17.287 -14.956 1.00 0.00 C ATOM 0 H ILE A 79 -1.022 -14.468 -13.440 1.00 0.00 H new ATOM 0 HA ILE A 79 0.901 -13.240 -15.294 1.00 0.00 H new ATOM 0 HB ILE A 79 -0.500 -15.941 -15.332 1.00 0.00 H new ATOM 0 HG12 ILE A 79 2.445 -15.245 -15.057 1.00 0.00 H new ATOM 0 HG13 ILE A 79 1.395 -15.622 -13.706 1.00 0.00 H new ATOM 0 HG21 ILE A 79 0.867 -16.422 -17.323 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -0.257 -15.071 -17.604 1.00 0.00 H new ATOM 0 HG23 ILE A 79 1.468 -14.748 -17.310 1.00 0.00 H new ATOM 0 HD11 ILE A 79 2.713 -17.571 -14.361 1.00 0.00 H new ATOM 0 HD12 ILE A 79 0.980 -17.868 -14.637 1.00 0.00 H new ATOM 0 HD13 ILE A 79 2.046 -17.485 -16.009 1.00 0.00 H new ATOM 1306 N ASN A 80 -2.294 -13.924 -15.890 1.00 0.00 N ATOM 1307 CA ASN A 80 -3.470 -13.470 -16.623 1.00 0.00 C ATOM 1308 C ASN A 80 -3.841 -12.044 -16.227 1.00 0.00 C ATOM 1309 O ASN A 80 -3.483 -11.576 -15.146 1.00 0.00 O ATOM 1310 CB ASN A 80 -4.651 -14.400 -16.410 1.00 0.00 C ATOM 1311 CG ASN A 80 -4.506 -15.729 -17.096 1.00 0.00 C ATOM 1312 OD1 ASN A 80 -3.697 -15.890 -18.017 1.00 0.00 O ATOM 1313 ND2 ASN A 80 -5.342 -16.659 -16.709 1.00 0.00 N ATOM 0 H ASN A 80 -2.466 -14.709 -15.262 1.00 0.00 H new ATOM 0 HA ASN A 80 -3.218 -13.483 -17.683 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -4.783 -14.566 -15.341 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -5.556 -13.912 -16.771 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -5.345 -17.567 -17.173 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -5.990 -16.476 -15.943 1.00 0.00 H new ATOM 1320 N ARG A 81 -4.558 -11.357 -17.110 1.00 0.00 N ATOM 1321 CA ARG A 81 -4.888 -9.953 -16.901 1.00 0.00 C ATOM 1322 C ARG A 81 -6.390 -9.772 -16.698 1.00 0.00 C ATOM 1323 O ARG A 81 -7.161 -10.725 -16.812 1.00 0.00 O ATOM 1324 CB ARG A 81 -4.364 -9.066 -18.020 1.00 0.00 C ATOM 1325 CG ARG A 81 -2.853 -9.074 -18.188 1.00 0.00 C ATOM 1326 CD ARG A 81 -2.357 -8.231 -19.307 1.00 0.00 C ATOM 1327 NE ARG A 81 -0.914 -8.259 -19.488 1.00 0.00 N ATOM 1328 CZ ARG A 81 -0.262 -7.688 -20.519 1.00 0.00 C ATOM 1329 NH1 ARG A 81 -0.918 -7.077 -21.481 1.00 0.00 N ATOM 1330 NH2 ARG A 81 1.056 -7.779 -20.550 1.00 0.00 N ATOM 0 H ARG A 81 -4.922 -11.751 -17.978 1.00 0.00 H new ATOM 0 HA ARG A 81 -4.383 -9.633 -15.989 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -4.821 -9.381 -18.958 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -4.689 -8.042 -17.835 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -2.394 -8.732 -17.260 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -2.522 -10.100 -18.348 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -2.833 -8.559 -20.231 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -2.669 -7.201 -19.136 1.00 0.00 H new ATOM 0 HE ARG A 81 -0.357 -8.745 -18.785 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -1.937 -7.030 -21.454 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -0.408 -6.650 -22.254 1.00 0.00 H new ATOM 0 HH21 ARG A 81 1.551 -8.271 -19.806 1.00 0.00 H new ATOM 0 HH22 ARG A 81 1.578 -7.357 -21.318 1.00 0.00 H new ATOM 1344 N ALA A 82 -6.796 -8.544 -16.395 1.00 0.00 N ATOM 1345 CA ALA A 82 -8.209 -8.230 -16.211 1.00 0.00 C ATOM 1346 C ALA A 82 -8.479 -6.751 -16.467 1.00 0.00 C ATOM 1347 O ALA A 82 -7.595 -5.910 -16.302 1.00 0.00 O ATOM 1348 CB ALA A 82 -8.658 -8.618 -14.811 1.00 0.00 C ATOM 0 H ALA A 82 -6.168 -7.750 -16.272 1.00 0.00 H new ATOM 0 HA ALA A 82 -8.783 -8.808 -16.936 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -9.714 -8.378 -14.688 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -8.510 -9.688 -14.665 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -8.073 -8.067 -14.075 1.00 0.00 H new ATOM 1354 N LYS A 83 -9.705 -6.440 -16.871 1.00 0.00 N ATOM 1355 CA LYS A 83 -10.098 -5.061 -17.138 1.00 0.00 C ATOM 1356 C LYS A 83 -10.037 -4.222 -15.865 1.00 0.00 C ATOM 1357 O LYS A 83 -9.246 -3.285 -15.764 1.00 0.00 O ATOM 1358 CB LYS A 83 -11.503 -5.008 -17.739 1.00 0.00 C ATOM 1359 CG LYS A 83 -11.993 -3.605 -18.072 1.00 0.00 C ATOM 1360 CD LYS A 83 -13.376 -3.637 -18.704 1.00 0.00 C ATOM 1361 CE LYS A 83 -13.871 -2.235 -19.027 1.00 0.00 C ATOM 1362 NZ LYS A 83 -15.234 -2.249 -19.624 1.00 0.00 N ATOM 0 H LYS A 83 -10.445 -7.125 -17.021 1.00 0.00 H new ATOM 0 HA LYS A 83 -9.394 -4.644 -17.859 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -11.519 -5.610 -18.647 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -12.202 -5.467 -17.040 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -12.020 -3.002 -17.164 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -11.291 -3.125 -18.753 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -13.347 -4.233 -19.616 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -14.076 -4.125 -18.026 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -13.880 -1.635 -18.117 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -13.177 -1.756 -19.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -15.533 -1.274 -19.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -15.221 -2.800 -20.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -15.902 -2.683 -18.955 1.00 0.00 H new ATOM 1376 N ASP A 84 -10.877 -4.568 -14.894 1.00 0.00 N ATOM 1377 CA ASP A 84 -10.878 -3.885 -13.606 1.00 0.00 C ATOM 1378 C ASP A 84 -9.589 -4.168 -12.840 1.00 0.00 C ATOM 1379 O ASP A 84 -9.616 -4.938 -11.881 1.00 0.00 O ATOM 1380 CB ASP A 84 -12.091 -4.308 -12.773 1.00 0.00 C ATOM 1381 CG ASP A 84 -13.416 -3.736 -13.257 1.00 0.00 C ATOM 1382 OD1 ASP A 84 -13.396 -2.879 -14.110 1.00 0.00 O ATOM 1383 OD2 ASP A 84 -14.438 -4.266 -12.890 1.00 0.00 O ATOM 1384 OXT ASP A 84 -8.564 -3.642 -13.175 1.00 0.00 O ATOM 0 H ASP A 84 -11.565 -5.317 -14.975 1.00 0.00 H new ATOM 0 HA ASP A 84 -10.939 -2.813 -13.793 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -12.156 -5.396 -12.775 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -11.932 -4.000 -11.740 1.00 0.00 H new TER 1389 ASP A 84