USER MOD reduce.3.24.130724 H: found=0, std=0, add=439, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 426 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 23 HIS HE2 : A 23 HIS NE2 : A 56 ZNZN :(H bumps) USER MOD NoAdj-H: A 44 HIS HE2 : A 44 HIS NE2 : A 57 ZNZN :(H bumps) USER MOD Set 1.1: A 8 ASN : amide:sc= 0.0272 K(o=0.013,f=-0.99) USER MOD Set 1.2: A 14 LYS NZ :NH3+ -136:sc= -0.0138 (180deg=-0.0936) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 139:sc= -0.0231 (180deg=-0.391) USER MOD Single : A 2 GLN : amide:sc= 0.278 K(o=0.28,f=-1.9!) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 ASN :FLIP amide:sc= -0.415 F(o=-1.2,f=-0.41) USER MOD Single : A 9 GLN : amide:sc= -0.553 K(o=-0.55,f=-2.7) USER MOD Single : A 11 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.112) USER MOD Single : A 12 THR OG1 : rot 40:sc= -0.341! USER MOD Single : A 17 ASN : amide:sc= 0.0499 K(o=0.05,f=-1.4!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ -160:sc= 0 (180deg=-0.00601) USER MOD Single : A 27 ASN : amide:sc= -0.136 X(o=-0.14,f=-0.53) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ -140:sc= -0.834 (180deg=-2.95!) USER MOD Single : A 38 LYS NZ :NH3+ -137:sc= 0.871 (180deg=-0.539!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= -1.15 K(o=-1.2,f=-2.3!) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.325 0.000 0.000 1.00 1.00 N ATOM 2 CA MET A 1 2.073 0.000 -1.245 1.00 1.00 C ATOM 3 C MET A 1 1.860 -1.306 -2.013 1.00 1.00 C ATOM 4 O MET A 1 1.851 -2.384 -1.420 1.00 1.00 O ATOM 5 CB MET A 1 3.563 0.180 -0.946 1.00 1.00 C ATOM 6 CG MET A 1 4.069 -0.915 -0.004 1.00 1.00 C ATOM 7 SD MET A 1 5.565 -1.638 -0.656 1.00 1.00 S ATOM 8 CE MET A 1 5.617 -3.149 0.292 1.00 1.00 C ATOM 0 H1 MET A 1 1.907 0.416 0.755 1.00 1.00 H new ATOM 0 H2 MET A 1 0.457 0.561 -0.117 1.00 1.00 H new ATOM 0 H3 MET A 1 1.075 -0.977 0.255 1.00 1.00 H new ATOM 0 HA MET A 1 1.715 0.824 -1.862 1.00 1.00 H new ATOM 0 HB2 MET A 1 4.130 0.155 -1.877 1.00 1.00 H new ATOM 0 HB3 MET A 1 3.732 1.158 -0.496 1.00 1.00 H new ATOM 0 HG2 MET A 1 4.258 -0.497 0.985 1.00 1.00 H new ATOM 0 HG3 MET A 1 3.306 -1.684 0.116 1.00 1.00 H new ATOM 0 HE1 MET A 1 6.497 -3.727 0.008 1.00 1.00 H new ATOM 0 HE2 MET A 1 5.667 -2.910 1.354 1.00 1.00 H new ATOM 0 HE3 MET A 1 4.719 -3.734 0.093 1.00 1.00 H new ATOM 18 N GLN A 2 1.695 -1.167 -3.320 1.00 1.00 N ATOM 19 CA GLN A 2 1.483 -2.323 -4.175 1.00 1.00 C ATOM 20 C GLN A 2 2.686 -3.265 -4.101 1.00 1.00 C ATOM 21 O GLN A 2 3.717 -2.918 -3.527 1.00 1.00 O ATOM 22 CB GLN A 2 1.209 -1.895 -5.618 1.00 1.00 C ATOM 23 CG GLN A 2 -0.057 -2.563 -6.157 1.00 1.00 C ATOM 24 CD GLN A 2 0.290 -3.719 -7.098 1.00 1.00 C ATOM 25 OE1 GLN A 2 0.307 -4.878 -6.718 1.00 1.00 O ATOM 26 NE2 GLN A 2 0.566 -3.339 -8.342 1.00 1.00 N ATOM 0 H GLN A 2 1.704 -0.271 -3.808 1.00 1.00 H new ATOM 0 HA GLN A 2 0.604 -2.859 -3.817 1.00 1.00 H new ATOM 0 HB2 GLN A 2 1.101 -0.811 -5.665 1.00 1.00 H new ATOM 0 HB3 GLN A 2 2.059 -2.158 -6.247 1.00 1.00 H new ATOM 0 HG2 GLN A 2 -0.658 -2.933 -5.327 1.00 1.00 H new ATOM 0 HG3 GLN A 2 -0.663 -1.828 -6.687 1.00 1.00 H new ATOM 0 HE21 GLN A 2 0.533 -2.351 -8.593 1.00 1.00 H new ATOM 0 HE22 GLN A 2 0.811 -4.036 -9.046 1.00 1.00 H new ATOM 35 N LYS A 3 2.515 -4.439 -4.691 1.00 1.00 N ATOM 36 CA LYS A 3 3.574 -5.434 -4.700 1.00 1.00 C ATOM 37 C LYS A 3 4.793 -4.869 -5.431 1.00 1.00 C ATOM 38 O LYS A 3 5.850 -4.680 -4.830 1.00 1.00 O ATOM 39 CB LYS A 3 3.064 -6.754 -5.283 1.00 1.00 C ATOM 40 CG LYS A 3 2.554 -7.681 -4.178 1.00 1.00 C ATOM 41 CD LYS A 3 1.821 -8.887 -4.768 1.00 1.00 C ATOM 42 CE LYS A 3 2.783 -10.055 -4.997 1.00 1.00 C ATOM 43 NZ LYS A 3 2.888 -10.365 -6.441 1.00 1.00 N ATOM 0 H LYS A 3 1.659 -4.724 -5.166 1.00 1.00 H new ATOM 0 HA LYS A 3 3.890 -5.663 -3.682 1.00 1.00 H new ATOM 0 HB2 LYS A 3 2.263 -6.556 -5.995 1.00 1.00 H new ATOM 0 HB3 LYS A 3 3.865 -7.246 -5.834 1.00 1.00 H new ATOM 0 HG2 LYS A 3 3.392 -8.022 -3.569 1.00 1.00 H new ATOM 0 HG3 LYS A 3 1.884 -7.131 -3.518 1.00 1.00 H new ATOM 0 HD2 LYS A 3 1.022 -9.196 -4.095 1.00 1.00 H new ATOM 0 HD3 LYS A 3 1.353 -8.607 -5.711 1.00 1.00 H new ATOM 0 HE2 LYS A 3 3.767 -9.806 -4.600 1.00 1.00 H new ATOM 0 HE3 LYS A 3 2.433 -10.934 -4.455 1.00 1.00 H new ATOM 0 HZ1 LYS A 3 3.545 -11.160 -6.579 1.00 1.00 H new ATOM 0 HZ2 LYS A 3 1.950 -10.623 -6.810 1.00 1.00 H new ATOM 0 HZ3 LYS A 3 3.243 -9.531 -6.950 1.00 1.00 H new ATOM 56 N GLY A 4 4.606 -4.614 -6.718 1.00 1.00 N ATOM 57 CA GLY A 4 5.677 -4.074 -7.537 1.00 1.00 C ATOM 58 C GLY A 4 6.060 -2.665 -7.080 1.00 1.00 C ATOM 59 O GLY A 4 5.388 -1.693 -7.422 1.00 1.00 O ATOM 0 H GLY A 4 3.728 -4.772 -7.213 1.00 1.00 H new ATOM 0 HA2 GLY A 4 6.548 -4.728 -7.481 1.00 1.00 H new ATOM 0 HA3 GLY A 4 5.364 -4.049 -8.581 1.00 1.00 H new ATOM 63 N ASN A 5 7.139 -2.599 -6.313 1.00 1.00 N ATOM 64 CA ASN A 5 7.620 -1.325 -5.806 1.00 1.00 C ATOM 65 C ASN A 5 9.011 -1.046 -6.377 1.00 1.00 C ATOM 66 O ASN A 5 9.834 -1.954 -6.490 1.00 1.00 O ATOM 67 CB ASN A 5 7.731 -1.347 -4.280 1.00 1.00 C ATOM 68 CG ASN A 5 7.352 0.010 -3.683 1.00 1.00 C ATOM 69 OD1 ASN A 5 6.083 0.094 -3.293 1.00 1.00 O flip ATOM 70 ND2 ASN A 5 8.158 0.920 -3.583 1.00 1.00 N flip ATOM 0 H ASN A 5 7.693 -3.407 -6.031 1.00 1.00 H new ATOM 0 HA ASN A 5 6.911 -0.553 -6.105 1.00 1.00 H new ATOM 0 HB2 ASN A 5 7.079 -2.121 -3.876 1.00 1.00 H new ATOM 0 HB3 ASN A 5 8.750 -1.604 -3.990 1.00 1.00 H new ATOM 0 HD21 ASN A 5 9.118 0.789 -3.902 1.00 1.00 H new ATOM 0 HD22 ASN A 5 7.872 1.812 -3.180 1.00 1.00 H new ATOM 77 N PHE A 6 9.232 0.214 -6.722 1.00 1.00 N ATOM 78 CA PHE A 6 10.510 0.625 -7.279 1.00 1.00 C ATOM 79 C PHE A 6 10.784 2.102 -6.991 1.00 1.00 C ATOM 80 O PHE A 6 11.193 2.846 -7.881 1.00 1.00 O ATOM 81 CB PHE A 6 10.425 0.419 -8.793 1.00 1.00 C ATOM 82 CG PHE A 6 9.033 0.667 -9.377 1.00 1.00 C ATOM 83 CD1 PHE A 6 8.579 1.939 -9.536 1.00 1.00 C ATOM 84 CD2 PHE A 6 8.249 -0.384 -9.737 1.00 1.00 C ATOM 85 CE1 PHE A 6 7.287 2.170 -10.078 1.00 1.00 C ATOM 86 CE2 PHE A 6 6.957 -0.154 -10.280 1.00 1.00 C ATOM 87 CZ PHE A 6 6.503 1.118 -10.439 1.00 1.00 C ATOM 0 H PHE A 6 8.547 0.964 -6.627 1.00 1.00 H new ATOM 0 HA PHE A 6 11.315 0.041 -6.834 1.00 1.00 H new ATOM 0 HB2 PHE A 6 11.136 1.085 -9.281 1.00 1.00 H new ATOM 0 HB3 PHE A 6 10.730 -0.601 -9.028 1.00 1.00 H new ATOM 0 HD1 PHE A 6 9.201 2.774 -9.250 1.00 1.00 H new ATOM 0 HD2 PHE A 6 8.609 -1.394 -9.610 1.00 1.00 H new ATOM 0 HE1 PHE A 6 6.927 3.180 -10.204 1.00 1.00 H new ATOM 0 HE2 PHE A 6 6.335 -0.989 -10.567 1.00 1.00 H new ATOM 0 HZ PHE A 6 5.520 1.293 -10.852 1.00 1.00 H new ATOM 97 N ARG A 7 10.547 2.483 -5.745 1.00 1.00 N ATOM 98 CA ARG A 7 10.764 3.859 -5.328 1.00 1.00 C ATOM 99 C ARG A 7 10.509 4.005 -3.827 1.00 1.00 C ATOM 100 O ARG A 7 9.642 3.332 -3.272 1.00 1.00 O ATOM 101 CB ARG A 7 9.845 4.815 -6.090 1.00 1.00 C ATOM 102 CG ARG A 7 10.549 6.144 -6.372 1.00 1.00 C ATOM 103 CD ARG A 7 9.663 7.328 -5.978 1.00 1.00 C ATOM 104 NE ARG A 7 9.078 7.946 -7.189 1.00 1.00 N ATOM 105 CZ ARG A 7 7.914 7.556 -7.750 1.00 1.00 C ATOM 106 NH1 ARG A 7 7.200 6.543 -7.214 1.00 1.00 N ATOM 107 NH2 ARG A 7 7.484 8.179 -8.832 1.00 1.00 N ATOM 0 H ARG A 7 10.207 1.863 -5.010 1.00 1.00 H new ATOM 0 HA ARG A 7 11.800 4.114 -5.550 1.00 1.00 H new ATOM 0 HB2 ARG A 7 9.536 4.357 -7.029 1.00 1.00 H new ATOM 0 HB3 ARG A 7 8.940 4.995 -5.510 1.00 1.00 H new ATOM 0 HG2 ARG A 7 11.487 6.187 -5.819 1.00 1.00 H new ATOM 0 HG3 ARG A 7 10.800 6.209 -7.431 1.00 1.00 H new ATOM 0 HD2 ARG A 7 8.869 6.993 -5.311 1.00 1.00 H new ATOM 0 HD3 ARG A 7 10.250 8.066 -5.430 1.00 1.00 H new ATOM 0 HE ARG A 7 9.586 8.714 -7.627 1.00 1.00 H new ATOM 0 HH11 ARG A 7 7.539 6.066 -6.379 1.00 1.00 H new ATOM 0 HH12 ARG A 7 6.321 6.255 -7.644 1.00 1.00 H new ATOM 0 HH21 ARG A 7 8.030 8.943 -9.232 1.00 1.00 H new ATOM 0 HH22 ARG A 7 6.606 7.897 -9.268 1.00 1.00 H new ATOM 120 N ASN A 8 11.281 4.890 -3.212 1.00 1.00 N ATOM 121 CA ASN A 8 11.149 5.133 -1.786 1.00 1.00 C ATOM 122 C ASN A 8 12.203 6.153 -1.348 1.00 1.00 C ATOM 123 O ASN A 8 13.387 5.990 -1.637 1.00 1.00 O ATOM 124 CB ASN A 8 11.373 3.849 -0.985 1.00 1.00 C ATOM 125 CG ASN A 8 10.532 3.847 0.294 1.00 1.00 C ATOM 126 OD1 ASN A 8 10.987 4.208 1.367 1.00 1.00 O ATOM 127 ND2 ASN A 8 9.285 3.420 0.120 1.00 1.00 N ATOM 0 H ASN A 8 11.999 5.447 -3.675 1.00 1.00 H new ATOM 0 HA ASN A 8 10.141 5.503 -1.599 1.00 1.00 H new ATOM 0 HB2 ASN A 8 11.114 2.985 -1.596 1.00 1.00 H new ATOM 0 HB3 ASN A 8 12.429 3.754 -0.731 1.00 1.00 H new ATOM 0 HD21 ASN A 8 8.644 3.380 0.913 1.00 1.00 H new ATOM 0 HD22 ASN A 8 8.969 3.133 -0.806 1.00 1.00 H new ATOM 134 N GLN A 9 11.733 7.181 -0.657 1.00 1.00 N ATOM 135 CA GLN A 9 12.620 8.227 -0.176 1.00 1.00 C ATOM 136 C GLN A 9 13.023 9.152 -1.327 1.00 1.00 C ATOM 137 O GLN A 9 12.813 10.362 -1.258 1.00 1.00 O ATOM 138 CB GLN A 9 13.854 7.630 0.505 1.00 1.00 C ATOM 139 CG GLN A 9 14.535 8.661 1.407 1.00 1.00 C ATOM 140 CD GLN A 9 13.697 8.934 2.658 1.00 1.00 C ATOM 141 OE1 GLN A 9 12.593 8.438 2.818 1.00 1.00 O ATOM 142 NE2 GLN A 9 14.280 9.747 3.533 1.00 1.00 N ATOM 0 H GLN A 9 10.750 7.312 -0.419 1.00 1.00 H new ATOM 0 HA GLN A 9 12.084 8.816 0.568 1.00 1.00 H new ATOM 0 HB2 GLN A 9 13.563 6.761 1.095 1.00 1.00 H new ATOM 0 HB3 GLN A 9 14.558 7.281 -0.251 1.00 1.00 H new ATOM 0 HG2 GLN A 9 15.522 8.300 1.698 1.00 1.00 H new ATOM 0 HG3 GLN A 9 14.685 9.589 0.856 1.00 1.00 H new ATOM 0 HE21 GLN A 9 15.206 10.128 3.337 1.00 1.00 H new ATOM 0 HE22 GLN A 9 13.802 9.990 4.400 1.00 1.00 H new ATOM 151 N ARG A 10 13.595 8.547 -2.357 1.00 1.00 N ATOM 152 CA ARG A 10 14.029 9.301 -3.521 1.00 1.00 C ATOM 153 C ARG A 10 14.531 8.352 -4.611 1.00 1.00 C ATOM 154 O ARG A 10 15.693 7.949 -4.601 1.00 1.00 O ATOM 155 CB ARG A 10 15.144 10.283 -3.156 1.00 1.00 C ATOM 156 CG ARG A 10 14.646 11.728 -3.230 1.00 1.00 C ATOM 157 CD ARG A 10 14.483 12.179 -4.683 1.00 1.00 C ATOM 158 NE ARG A 10 13.047 12.330 -5.008 1.00 1.00 N ATOM 159 CZ ARG A 10 12.546 12.284 -6.261 1.00 1.00 C ATOM 160 NH1 ARG A 10 13.362 12.091 -7.319 1.00 1.00 N ATOM 161 NH2 ARG A 10 11.246 12.432 -6.435 1.00 1.00 N ATOM 0 H ARG A 10 13.768 7.543 -2.410 1.00 1.00 H new ATOM 0 HA ARG A 10 13.172 9.863 -3.891 1.00 1.00 H new ATOM 0 HB2 ARG A 10 15.506 10.070 -2.150 1.00 1.00 H new ATOM 0 HB3 ARG A 10 15.987 10.150 -3.834 1.00 1.00 H new ATOM 0 HG2 ARG A 10 13.692 11.815 -2.710 1.00 1.00 H new ATOM 0 HG3 ARG A 10 15.349 12.385 -2.718 1.00 1.00 H new ATOM 0 HD2 ARG A 10 15.001 13.125 -4.839 1.00 1.00 H new ATOM 0 HD3 ARG A 10 14.941 11.451 -5.352 1.00 1.00 H new ATOM 0 HE ARG A 10 12.395 12.478 -4.237 1.00 1.00 H new ATOM 0 HH11 ARG A 10 14.366 11.979 -7.175 1.00 1.00 H new ATOM 0 HH12 ARG A 10 12.975 12.058 -8.262 1.00 1.00 H new ATOM 0 HH21 ARG A 10 10.637 12.578 -5.630 1.00 1.00 H new ATOM 0 HH22 ARG A 10 10.850 12.400 -7.375 1.00 1.00 H new ATOM 174 N LYS A 11 13.631 8.023 -5.526 1.00 1.00 N ATOM 175 CA LYS A 11 13.968 7.129 -6.621 1.00 1.00 C ATOM 176 C LYS A 11 14.768 5.943 -6.077 1.00 1.00 C ATOM 177 O LYS A 11 14.833 5.737 -4.866 1.00 1.00 O ATOM 178 CB LYS A 11 14.684 7.894 -7.736 1.00 1.00 C ATOM 179 CG LYS A 11 16.201 7.729 -7.628 1.00 1.00 C ATOM 180 CD LYS A 11 16.925 8.983 -8.120 1.00 1.00 C ATOM 181 CE LYS A 11 17.323 8.845 -9.592 1.00 1.00 C ATOM 182 NZ LYS A 11 18.526 7.994 -9.726 1.00 1.00 N ATOM 0 H LYS A 11 12.668 8.360 -5.532 1.00 1.00 H new ATOM 0 HA LYS A 11 13.063 6.723 -7.074 1.00 1.00 H new ATOM 0 HB2 LYS A 11 14.344 7.533 -8.706 1.00 1.00 H new ATOM 0 HB3 LYS A 11 14.425 8.951 -7.681 1.00 1.00 H new ATOM 0 HG2 LYS A 11 16.476 7.529 -6.592 1.00 1.00 H new ATOM 0 HG3 LYS A 11 16.519 6.867 -8.215 1.00 1.00 H new ATOM 0 HD2 LYS A 11 16.280 9.853 -7.994 1.00 1.00 H new ATOM 0 HD3 LYS A 11 17.814 9.155 -7.514 1.00 1.00 H new ATOM 0 HE2 LYS A 11 16.499 8.412 -10.159 1.00 1.00 H new ATOM 0 HE3 LYS A 11 17.518 9.830 -10.016 1.00 1.00 H new ATOM 0 HZ1 LYS A 11 18.892 8.060 -10.697 1.00 1.00 H new ATOM 0 HZ2 LYS A 11 19.256 8.317 -9.059 1.00 1.00 H new ATOM 0 HZ3 LYS A 11 18.278 7.006 -9.516 1.00 1.00 H new ATOM 195 N THR A 12 15.356 5.196 -6.999 1.00 1.00 N ATOM 196 CA THR A 12 16.149 4.036 -6.628 1.00 1.00 C ATOM 197 C THR A 12 15.407 3.193 -5.589 1.00 1.00 C ATOM 198 O THR A 12 14.227 3.422 -5.327 1.00 1.00 O ATOM 199 CB THR A 12 17.514 4.531 -6.145 1.00 1.00 C ATOM 200 OG1 THR A 12 17.200 5.580 -5.232 1.00 1.00 O ATOM 201 CG2 THR A 12 18.310 5.226 -7.252 1.00 1.00 C ATOM 0 H THR A 12 15.299 5.371 -8.002 1.00 1.00 H new ATOM 0 HA THR A 12 16.309 3.377 -7.482 1.00 1.00 H new ATOM 0 HB THR A 12 18.089 3.690 -5.758 1.00 1.00 H new ATOM 0 HG1 THR A 12 16.421 5.324 -4.695 1.00 1.00 H new ATOM 0 HG21 THR A 12 19.270 5.558 -6.856 1.00 1.00 H new ATOM 0 HG22 THR A 12 18.477 4.528 -8.073 1.00 1.00 H new ATOM 0 HG23 THR A 12 17.750 6.088 -7.616 1.00 1.00 H new ATOM 209 N VAL A 13 16.128 2.234 -5.027 1.00 1.00 N ATOM 210 CA VAL A 13 15.553 1.355 -4.023 1.00 1.00 C ATOM 211 C VAL A 13 16.643 0.932 -3.037 1.00 1.00 C ATOM 212 O VAL A 13 17.822 1.211 -3.251 1.00 1.00 O ATOM 213 CB VAL A 13 14.865 0.168 -4.700 1.00 1.00 C ATOM 214 CG1 VAL A 13 13.717 0.637 -5.596 1.00 1.00 C ATOM 215 CG2 VAL A 13 15.870 -0.670 -5.491 1.00 1.00 C ATOM 0 H VAL A 13 17.106 2.046 -5.248 1.00 1.00 H new ATOM 0 HA VAL A 13 14.785 1.877 -3.453 1.00 1.00 H new ATOM 0 HB VAL A 13 14.443 -0.464 -3.919 1.00 1.00 H new ATOM 0 HG11 VAL A 13 13.245 -0.227 -6.065 1.00 1.00 H new ATOM 0 HG12 VAL A 13 12.981 1.171 -4.995 1.00 1.00 H new ATOM 0 HG13 VAL A 13 14.106 1.302 -6.368 1.00 1.00 H new ATOM 0 HG21 VAL A 13 15.355 -1.507 -5.962 1.00 1.00 H new ATOM 0 HG22 VAL A 13 16.335 -0.052 -6.259 1.00 1.00 H new ATOM 0 HG23 VAL A 13 16.638 -1.050 -4.817 1.00 1.00 H new ATOM 225 N LYS A 14 16.210 0.266 -1.976 1.00 1.00 N ATOM 226 CA LYS A 14 17.135 -0.199 -0.956 1.00 1.00 C ATOM 227 C LYS A 14 16.743 -1.614 -0.525 1.00 1.00 C ATOM 228 O LYS A 14 15.559 -1.932 -0.429 1.00 1.00 O ATOM 229 CB LYS A 14 17.202 0.800 0.201 1.00 1.00 C ATOM 230 CG LYS A 14 15.869 0.863 0.949 1.00 1.00 C ATOM 231 CD LYS A 14 15.097 2.134 0.588 1.00 1.00 C ATOM 232 CE LYS A 14 14.502 2.787 1.837 1.00 1.00 C ATOM 233 NZ LYS A 14 14.299 4.237 1.617 1.00 1.00 N ATOM 0 H LYS A 14 15.231 0.038 -1.801 1.00 1.00 H new ATOM 0 HA LYS A 14 18.147 -0.256 -1.357 1.00 1.00 H new ATOM 0 HB2 LYS A 14 17.996 0.512 0.890 1.00 1.00 H new ATOM 0 HB3 LYS A 14 17.455 1.789 -0.182 1.00 1.00 H new ATOM 0 HG2 LYS A 14 15.269 -0.013 0.704 1.00 1.00 H new ATOM 0 HG3 LYS A 14 16.049 0.836 2.024 1.00 1.00 H new ATOM 0 HD2 LYS A 14 15.762 2.838 0.087 1.00 1.00 H new ATOM 0 HD3 LYS A 14 14.300 1.892 -0.115 1.00 1.00 H new ATOM 0 HE2 LYS A 14 13.552 2.314 2.084 1.00 1.00 H new ATOM 0 HE3 LYS A 14 15.166 2.632 2.687 1.00 1.00 H new ATOM 0 HZ1 LYS A 14 14.622 4.764 2.454 1.00 1.00 H new ATOM 0 HZ2 LYS A 14 14.843 4.541 0.785 1.00 1.00 H new ATOM 0 HZ3 LYS A 14 13.289 4.426 1.458 1.00 1.00 H new ATOM 246 N CYS A 15 17.761 -2.425 -0.278 1.00 1.00 N ATOM 247 CA CYS A 15 17.538 -3.799 0.141 1.00 1.00 C ATOM 248 C CYS A 15 17.315 -3.810 1.654 1.00 1.00 C ATOM 249 O CYS A 15 18.233 -3.526 2.422 1.00 1.00 O ATOM 250 CB CYS A 15 18.694 -4.711 -0.273 1.00 1.00 C ATOM 251 SG CYS A 15 18.373 -6.423 0.288 1.00 1.00 S ATOM 0 H CYS A 15 18.742 -2.158 -0.360 1.00 1.00 H new ATOM 0 HA CYS A 15 16.653 -4.195 -0.358 1.00 1.00 H new ATOM 0 HB2 CYS A 15 18.814 -4.691 -1.356 1.00 1.00 H new ATOM 0 HB3 CYS A 15 19.627 -4.347 0.158 1.00 1.00 H new ATOM 256 N PHE A 16 16.091 -4.141 2.038 1.00 1.00 N ATOM 257 CA PHE A 16 15.736 -4.193 3.446 1.00 1.00 C ATOM 258 C PHE A 16 16.083 -5.556 4.049 1.00 1.00 C ATOM 259 O PHE A 16 15.630 -5.888 5.143 1.00 1.00 O ATOM 260 CB PHE A 16 14.224 -3.979 3.535 1.00 1.00 C ATOM 261 CG PHE A 16 13.815 -2.773 4.383 1.00 1.00 C ATOM 262 CD1 PHE A 16 14.141 -2.728 5.702 1.00 1.00 C ATOM 263 CD2 PHE A 16 13.125 -1.747 3.818 1.00 1.00 C ATOM 264 CE1 PHE A 16 13.761 -1.609 6.490 1.00 1.00 C ATOM 265 CE2 PHE A 16 12.745 -0.628 4.605 1.00 1.00 C ATOM 266 CZ PHE A 16 13.071 -0.583 5.924 1.00 1.00 C ATOM 0 H PHE A 16 15.332 -4.376 1.398 1.00 1.00 H new ATOM 0 HA PHE A 16 16.287 -3.431 3.997 1.00 1.00 H new ATOM 0 HB2 PHE A 16 13.825 -3.854 2.528 1.00 1.00 H new ATOM 0 HB3 PHE A 16 13.764 -4.875 3.951 1.00 1.00 H new ATOM 0 HD1 PHE A 16 14.689 -3.543 6.151 1.00 1.00 H new ATOM 0 HD2 PHE A 16 12.866 -1.783 2.770 1.00 1.00 H new ATOM 0 HE1 PHE A 16 14.020 -1.573 7.538 1.00 1.00 H new ATOM 0 HE2 PHE A 16 12.197 0.187 4.156 1.00 1.00 H new ATOM 0 HZ PHE A 16 12.782 0.268 6.523 1.00 1.00 H new ATOM 276 N ASN A 17 16.883 -6.309 3.308 1.00 1.00 N ATOM 277 CA ASN A 17 17.295 -7.629 3.756 1.00 1.00 C ATOM 278 C ASN A 17 18.745 -7.568 4.241 1.00 1.00 C ATOM 279 O ASN A 17 19.085 -8.155 5.267 1.00 1.00 O ATOM 280 CB ASN A 17 17.220 -8.646 2.615 1.00 1.00 C ATOM 281 CG ASN A 17 17.312 -10.076 3.149 1.00 1.00 C ATOM 282 OD1 ASN A 17 17.033 -10.355 4.304 1.00 1.00 O ATOM 283 ND2 ASN A 17 17.719 -10.965 2.248 1.00 1.00 N ATOM 0 H ASN A 17 17.257 -6.030 2.401 1.00 1.00 H new ATOM 0 HA ASN A 17 16.625 -7.938 4.559 1.00 1.00 H new ATOM 0 HB2 ASN A 17 16.285 -8.517 2.069 1.00 1.00 H new ATOM 0 HB3 ASN A 17 18.030 -8.465 1.908 1.00 1.00 H new ATOM 0 HD21 ASN A 17 17.814 -11.947 2.507 1.00 1.00 H new ATOM 0 HD22 ASN A 17 17.936 -10.665 1.298 1.00 1.00 H new ATOM 290 N CYS A 18 19.560 -6.853 3.480 1.00 1.00 N ATOM 291 CA CYS A 18 20.966 -6.708 3.819 1.00 1.00 C ATOM 292 C CYS A 18 21.206 -5.264 4.265 1.00 1.00 C ATOM 293 O CYS A 18 21.985 -5.016 5.184 1.00 1.00 O ATOM 294 CB CYS A 18 21.873 -7.104 2.652 1.00 1.00 C ATOM 295 SG CYS A 18 21.450 -6.119 1.169 1.00 1.00 S ATOM 0 H CYS A 18 19.274 -6.368 2.630 1.00 1.00 H new ATOM 0 HA CYS A 18 21.218 -7.386 4.635 1.00 1.00 H new ATOM 0 HB2 CYS A 18 22.917 -6.942 2.921 1.00 1.00 H new ATOM 0 HB3 CYS A 18 21.760 -8.167 2.437 1.00 1.00 H new ATOM 300 N GLY A 19 20.522 -4.350 3.593 1.00 1.00 N ATOM 301 CA GLY A 19 20.651 -2.937 3.908 1.00 1.00 C ATOM 302 C GLY A 19 21.564 -2.232 2.903 1.00 1.00 C ATOM 303 O GLY A 19 22.190 -1.225 3.228 1.00 1.00 O ATOM 0 H GLY A 19 19.877 -4.560 2.832 1.00 1.00 H new ATOM 0 HA2 GLY A 19 19.667 -2.468 3.902 1.00 1.00 H new ATOM 0 HA3 GLY A 19 21.053 -2.820 4.914 1.00 1.00 H new ATOM 307 N LYS A 20 21.611 -2.790 1.702 1.00 1.00 N ATOM 308 CA LYS A 20 22.436 -2.227 0.647 1.00 1.00 C ATOM 309 C LYS A 20 21.541 -1.525 -0.375 1.00 1.00 C ATOM 310 O LYS A 20 20.580 -2.111 -0.870 1.00 1.00 O ATOM 311 CB LYS A 20 23.336 -3.305 0.039 1.00 1.00 C ATOM 312 CG LYS A 20 24.691 -2.722 -0.370 1.00 1.00 C ATOM 313 CD LYS A 20 25.550 -2.418 0.859 1.00 1.00 C ATOM 314 CE LYS A 20 26.663 -3.455 1.020 1.00 1.00 C ATOM 315 NZ LYS A 20 26.222 -4.556 1.904 1.00 1.00 N ATOM 0 H LYS A 20 21.091 -3.626 1.436 1.00 1.00 H new ATOM 0 HA LYS A 20 23.110 -1.472 1.052 1.00 1.00 H new ATOM 0 HB2 LYS A 20 23.485 -4.109 0.760 1.00 1.00 H new ATOM 0 HB3 LYS A 20 22.847 -3.744 -0.831 1.00 1.00 H new ATOM 0 HG2 LYS A 20 25.213 -3.426 -1.018 1.00 1.00 H new ATOM 0 HG3 LYS A 20 24.539 -1.810 -0.947 1.00 1.00 H new ATOM 0 HD2 LYS A 20 25.986 -1.423 0.766 1.00 1.00 H new ATOM 0 HD3 LYS A 20 24.924 -2.409 1.751 1.00 1.00 H new ATOM 0 HE2 LYS A 20 26.941 -3.853 0.044 1.00 1.00 H new ATOM 0 HE3 LYS A 20 27.552 -2.981 1.436 1.00 1.00 H new ATOM 0 HZ1 LYS A 20 26.990 -5.251 2.002 1.00 1.00 H new ATOM 0 HZ2 LYS A 20 25.979 -4.174 2.840 1.00 1.00 H new ATOM 0 HZ3 LYS A 20 25.387 -5.019 1.492 1.00 1.00 H new ATOM 328 N GLU A 21 21.889 -0.278 -0.661 1.00 1.00 N ATOM 329 CA GLU A 21 21.129 0.511 -1.616 1.00 1.00 C ATOM 330 C GLU A 21 21.457 0.075 -3.045 1.00 1.00 C ATOM 331 O GLU A 21 22.620 -0.150 -3.378 1.00 1.00 O ATOM 332 CB GLU A 21 21.392 2.006 -1.424 1.00 1.00 C ATOM 333 CG GLU A 21 22.880 2.325 -1.580 1.00 1.00 C ATOM 334 CD GLU A 21 23.081 3.665 -2.291 1.00 1.00 C ATOM 335 OE1 GLU A 21 23.605 4.614 -1.689 1.00 1.00 O ATOM 336 OE2 GLU A 21 22.672 3.699 -3.514 1.00 1.00 O ATOM 0 H GLU A 21 22.687 0.205 -0.248 1.00 1.00 H new ATOM 0 HA GLU A 21 20.068 0.337 -1.439 1.00 1.00 H new ATOM 0 HB2 GLU A 21 20.816 2.577 -2.152 1.00 1.00 H new ATOM 0 HB3 GLU A 21 21.052 2.315 -0.436 1.00 1.00 H new ATOM 0 HG2 GLU A 21 23.354 2.355 -0.599 1.00 1.00 H new ATOM 0 HG3 GLU A 21 23.368 1.532 -2.146 1.00 1.00 H new ATOM 344 N GLY A 22 20.412 -0.031 -3.852 1.00 1.00 N ATOM 345 CA GLY A 22 20.575 -0.435 -5.238 1.00 1.00 C ATOM 346 C GLY A 22 19.591 -1.549 -5.604 1.00 1.00 C ATOM 347 O GLY A 22 19.004 -1.533 -6.685 1.00 1.00 O ATOM 0 H GLY A 22 19.449 0.156 -3.573 1.00 1.00 H new ATOM 0 HA2 GLY A 22 20.418 0.423 -5.892 1.00 1.00 H new ATOM 0 HA3 GLY A 22 21.596 -0.778 -5.403 1.00 1.00 H new ATOM 351 N HIS A 23 19.441 -2.488 -4.682 1.00 1.00 N ATOM 352 CA HIS A 23 18.538 -3.607 -4.893 1.00 1.00 C ATOM 353 C HIS A 23 17.545 -3.692 -3.732 1.00 1.00 C ATOM 354 O HIS A 23 17.732 -3.046 -2.703 1.00 1.00 O ATOM 355 CB HIS A 23 19.321 -4.905 -5.100 1.00 1.00 C ATOM 356 CG HIS A 23 19.882 -5.493 -3.827 1.00 1.00 C ATOM 357 ND1 HIS A 23 21.023 -5.004 -3.215 1.00 1.00 N ATOM 358 CD2 HIS A 23 19.448 -6.532 -3.058 1.00 1.00 C ATOM 359 CE1 HIS A 23 21.256 -5.725 -2.128 1.00 1.00 C ATOM 360 NE2 HIS A 23 20.279 -6.672 -2.033 1.00 1.00 N ATOM 0 H HIS A 23 19.930 -2.497 -3.787 1.00 1.00 H new ATOM 0 HA HIS A 23 17.963 -3.448 -5.805 1.00 1.00 H new ATOM 0 HB2 HIS A 23 18.668 -5.640 -5.571 1.00 1.00 H new ATOM 0 HB3 HIS A 23 20.141 -4.716 -5.793 1.00 1.00 H new ATOM 0 HD1 HIS A 23 21.588 -4.222 -3.545 1.00 1.00 H new ATOM 0 HD2 HIS A 23 18.575 -7.138 -3.251 1.00 1.00 H new ATOM 0 HE1 HIS A 23 22.076 -5.587 -1.438 1.00 1.00 H new ATOM 368 N ILE A 24 16.511 -4.495 -3.938 1.00 1.00 N ATOM 369 CA ILE A 24 15.488 -4.672 -2.921 1.00 1.00 C ATOM 370 C ILE A 24 15.669 -6.038 -2.256 1.00 1.00 C ATOM 371 O ILE A 24 16.434 -6.871 -2.738 1.00 1.00 O ATOM 372 CB ILE A 24 14.096 -4.458 -3.518 1.00 1.00 C ATOM 373 CG1 ILE A 24 13.874 -5.366 -4.729 1.00 1.00 C ATOM 374 CG2 ILE A 24 13.865 -2.984 -3.857 1.00 1.00 C ATOM 375 CD1 ILE A 24 12.435 -5.259 -5.239 1.00 1.00 C ATOM 0 H ILE A 24 16.360 -5.030 -4.793 1.00 1.00 H new ATOM 0 HA ILE A 24 15.593 -3.919 -2.139 1.00 1.00 H new ATOM 0 HB ILE A 24 13.356 -4.735 -2.767 1.00 1.00 H new ATOM 0 HG12 ILE A 24 14.567 -5.092 -5.525 1.00 1.00 H new ATOM 0 HG13 ILE A 24 14.092 -6.399 -4.458 1.00 1.00 H new ATOM 0 HG21 ILE A 24 12.868 -2.860 -4.280 1.00 1.00 H new ATOM 0 HG22 ILE A 24 13.952 -2.384 -2.951 1.00 1.00 H new ATOM 0 HG23 ILE A 24 14.610 -2.656 -4.582 1.00 1.00 H new ATOM 0 HD11 ILE A 24 12.304 -5.914 -6.100 1.00 1.00 H new ATOM 0 HD12 ILE A 24 11.746 -5.556 -4.449 1.00 1.00 H new ATOM 0 HD13 ILE A 24 12.228 -4.230 -5.532 1.00 1.00 H new ATOM 387 N ALA A 25 14.951 -6.226 -1.158 1.00 1.00 N ATOM 388 CA ALA A 25 15.022 -7.476 -0.422 1.00 1.00 C ATOM 389 C ALA A 25 14.580 -8.624 -1.331 1.00 1.00 C ATOM 390 O ALA A 25 15.158 -9.709 -1.293 1.00 1.00 O ATOM 391 CB ALA A 25 14.168 -7.373 0.844 1.00 1.00 C ATOM 0 H ALA A 25 14.317 -5.533 -0.761 1.00 1.00 H new ATOM 0 HA ALA A 25 16.046 -7.679 -0.109 1.00 1.00 H new ATOM 0 HB1 ALA A 25 14.221 -8.311 1.396 1.00 1.00 H new ATOM 0 HB2 ALA A 25 14.541 -6.562 1.470 1.00 1.00 H new ATOM 0 HB3 ALA A 25 13.133 -7.172 0.569 1.00 1.00 H new ATOM 397 N LYS A 26 13.558 -8.346 -2.127 1.00 1.00 N ATOM 398 CA LYS A 26 13.031 -9.342 -3.045 1.00 1.00 C ATOM 399 C LYS A 26 14.080 -9.648 -4.116 1.00 1.00 C ATOM 400 O LYS A 26 14.008 -10.677 -4.785 1.00 1.00 O ATOM 401 CB LYS A 26 11.685 -8.889 -3.613 1.00 1.00 C ATOM 402 CG LYS A 26 11.056 -9.986 -4.475 1.00 1.00 C ATOM 403 CD LYS A 26 9.917 -9.427 -5.329 1.00 1.00 C ATOM 404 CE LYS A 26 10.359 -9.246 -6.782 1.00 1.00 C ATOM 405 NZ LYS A 26 10.410 -10.553 -7.475 1.00 1.00 N ATOM 0 H LYS A 26 13.081 -7.445 -2.155 1.00 1.00 H new ATOM 0 HA LYS A 26 12.830 -10.276 -2.520 1.00 1.00 H new ATOM 0 HB2 LYS A 26 11.010 -8.631 -2.797 1.00 1.00 H new ATOM 0 HB3 LYS A 26 11.823 -7.987 -4.209 1.00 1.00 H new ATOM 0 HG2 LYS A 26 11.816 -10.427 -5.120 1.00 1.00 H new ATOM 0 HG3 LYS A 26 10.678 -10.784 -3.836 1.00 1.00 H new ATOM 0 HD2 LYS A 26 9.061 -10.101 -5.287 1.00 1.00 H new ATOM 0 HD3 LYS A 26 9.589 -8.470 -4.923 1.00 1.00 H new ATOM 0 HE2 LYS A 26 9.667 -8.581 -7.299 1.00 1.00 H new ATOM 0 HE3 LYS A 26 11.340 -8.772 -6.814 1.00 1.00 H new ATOM 0 HZ1 LYS A 26 11.014 -10.476 -8.318 1.00 1.00 H new ATOM 0 HZ2 LYS A 26 10.801 -11.271 -6.833 1.00 1.00 H new ATOM 0 HZ3 LYS A 26 9.450 -10.831 -7.762 1.00 1.00 H new ATOM 418 N ASN A 27 15.031 -8.734 -4.245 1.00 1.00 N ATOM 419 CA ASN A 27 16.093 -8.892 -5.224 1.00 1.00 C ATOM 420 C ASN A 27 17.416 -9.146 -4.498 1.00 1.00 C ATOM 421 O ASN A 27 18.488 -8.975 -5.076 1.00 1.00 O ATOM 422 CB ASN A 27 16.254 -7.629 -6.072 1.00 1.00 C ATOM 423 CG ASN A 27 16.200 -7.960 -7.565 1.00 1.00 C ATOM 424 OD1 ASN A 27 15.409 -8.770 -8.019 1.00 1.00 O ATOM 425 ND2 ASN A 27 17.083 -7.290 -8.299 1.00 1.00 N ATOM 0 H ASN A 27 15.088 -7.882 -3.688 1.00 1.00 H new ATOM 0 HA ASN A 27 15.833 -9.729 -5.871 1.00 1.00 H new ATOM 0 HB2 ASN A 27 15.466 -6.918 -5.825 1.00 1.00 H new ATOM 0 HB3 ASN A 27 17.203 -7.147 -5.837 1.00 1.00 H new ATOM 0 HD21 ASN A 27 17.127 -7.440 -9.307 1.00 1.00 H new ATOM 0 HD22 ASN A 27 17.717 -6.626 -7.854 1.00 1.00 H new ATOM 432 N CYS A 28 17.296 -9.551 -3.242 1.00 1.00 N ATOM 433 CA CYS A 28 18.469 -9.830 -2.431 1.00 1.00 C ATOM 434 C CYS A 28 18.993 -11.218 -2.805 1.00 1.00 C ATOM 435 O CYS A 28 18.343 -12.225 -2.529 1.00 1.00 O ATOM 436 CB CYS A 28 18.163 -9.719 -0.936 1.00 1.00 C ATOM 437 SG CYS A 28 19.712 -9.832 0.031 1.00 1.00 S ATOM 0 H CYS A 28 16.405 -9.693 -2.766 1.00 1.00 H new ATOM 0 HA CYS A 28 19.239 -9.086 -2.633 1.00 1.00 H new ATOM 0 HB2 CYS A 28 17.663 -8.773 -0.728 1.00 1.00 H new ATOM 0 HB3 CYS A 28 17.479 -10.513 -0.637 1.00 1.00 H new ATOM 442 N ARG A 29 20.162 -11.226 -3.427 1.00 1.00 N ATOM 443 CA ARG A 29 20.780 -12.474 -3.842 1.00 1.00 C ATOM 444 C ARG A 29 21.586 -13.076 -2.689 1.00 1.00 C ATOM 445 O ARG A 29 22.149 -14.162 -2.821 1.00 1.00 O ATOM 446 CB ARG A 29 21.703 -12.259 -5.043 1.00 1.00 C ATOM 447 CG ARG A 29 22.871 -11.340 -4.680 1.00 1.00 C ATOM 448 CD ARG A 29 23.922 -11.324 -5.791 1.00 1.00 C ATOM 449 NE ARG A 29 23.589 -10.281 -6.787 1.00 1.00 N ATOM 450 CZ ARG A 29 24.471 -9.774 -7.675 1.00 1.00 C ATOM 451 NH1 ARG A 29 25.748 -10.209 -7.698 1.00 1.00 N ATOM 452 NH2 ARG A 29 24.065 -8.845 -8.521 1.00 1.00 N ATOM 0 H ARG A 29 20.698 -10.388 -3.654 1.00 1.00 H new ATOM 0 HA ARG A 29 19.983 -13.159 -4.129 1.00 1.00 H new ATOM 0 HB2 ARG A 29 22.085 -13.219 -5.389 1.00 1.00 H new ATOM 0 HB3 ARG A 29 21.137 -11.825 -5.868 1.00 1.00 H new ATOM 0 HG2 ARG A 29 22.503 -10.329 -4.508 1.00 1.00 H new ATOM 0 HG3 ARG A 29 23.327 -11.676 -3.748 1.00 1.00 H new ATOM 0 HD2 ARG A 29 24.908 -11.133 -5.368 1.00 1.00 H new ATOM 0 HD3 ARG A 29 23.967 -12.300 -6.275 1.00 1.00 H new ATOM 0 HE ARG A 29 22.634 -9.923 -6.804 1.00 1.00 H new ATOM 0 HH11 ARG A 29 26.054 -10.927 -7.041 1.00 1.00 H new ATOM 0 HH12 ARG A 29 26.407 -9.820 -8.372 1.00 1.00 H new ATOM 0 HH21 ARG A 29 23.098 -8.521 -8.497 1.00 1.00 H new ATOM 0 HH22 ARG A 29 24.718 -8.451 -9.198 1.00 1.00 H new ATOM 465 N ALA A 30 21.617 -12.344 -1.585 1.00 1.00 N ATOM 466 CA ALA A 30 22.345 -12.792 -0.410 1.00 1.00 C ATOM 467 C ALA A 30 22.149 -14.300 -0.239 1.00 1.00 C ATOM 468 O ALA A 30 21.121 -14.742 0.272 1.00 1.00 O ATOM 469 CB ALA A 30 21.878 -12.000 0.812 1.00 1.00 C ATOM 0 H ALA A 30 21.150 -11.444 -1.479 1.00 1.00 H new ATOM 0 HA ALA A 30 23.413 -12.610 -0.527 1.00 1.00 H new ATOM 0 HB1 ALA A 30 22.424 -12.336 1.694 1.00 1.00 H new ATOM 0 HB2 ALA A 30 22.066 -10.938 0.651 1.00 1.00 H new ATOM 0 HB3 ALA A 30 20.811 -12.160 0.963 1.00 1.00 H new ATOM 475 N PRO A 31 23.179 -15.068 -0.686 1.00 1.00 N ATOM 476 CA PRO A 31 23.130 -16.517 -0.587 1.00 1.00 C ATOM 477 C PRO A 31 23.368 -16.976 0.853 1.00 1.00 C ATOM 478 O PRO A 31 24.414 -17.544 1.162 1.00 1.00 O ATOM 479 CB PRO A 31 24.194 -17.013 -1.553 1.00 1.00 C ATOM 480 CG PRO A 31 25.111 -15.828 -1.807 1.00 1.00 C ATOM 481 CD PRO A 31 24.412 -14.579 -1.296 1.00 1.00 C ATOM 0 HA PRO A 31 22.153 -16.924 -0.848 1.00 1.00 H new ATOM 0 HB2 PRO A 31 24.747 -17.851 -1.128 1.00 1.00 H new ATOM 0 HB3 PRO A 31 23.745 -17.365 -2.482 1.00 1.00 H new ATOM 0 HG2 PRO A 31 26.064 -15.967 -1.297 1.00 1.00 H new ATOM 0 HG3 PRO A 31 25.329 -15.735 -2.871 1.00 1.00 H new ATOM 0 HD2 PRO A 31 25.029 -14.048 -0.571 1.00 1.00 H new ATOM 0 HD3 PRO A 31 24.203 -13.882 -2.108 1.00 1.00 H new ATOM 489 N ARG A 32 22.379 -16.712 1.695 1.00 1.00 N ATOM 490 CA ARG A 32 22.468 -17.092 3.095 1.00 1.00 C ATOM 491 C ARG A 32 21.173 -17.772 3.544 1.00 1.00 C ATOM 492 O ARG A 32 21.209 -18.809 4.203 1.00 1.00 O ATOM 493 CB ARG A 32 22.729 -15.872 3.981 1.00 1.00 C ATOM 494 CG ARG A 32 21.636 -14.817 3.797 1.00 1.00 C ATOM 495 CD ARG A 32 22.152 -13.424 4.162 1.00 1.00 C ATOM 496 NE ARG A 32 22.343 -13.323 5.627 1.00 1.00 N ATOM 497 CZ ARG A 32 21.373 -12.958 6.493 1.00 1.00 C ATOM 498 NH1 ARG A 32 20.135 -12.656 6.048 1.00 1.00 N ATOM 499 NH2 ARG A 32 21.655 -12.901 7.781 1.00 1.00 N ATOM 0 H ARG A 32 21.513 -16.240 1.435 1.00 1.00 H new ATOM 0 HA ARG A 32 23.302 -17.787 3.198 1.00 1.00 H new ATOM 0 HB2 ARG A 32 22.771 -16.179 5.026 1.00 1.00 H new ATOM 0 HB3 ARG A 32 23.700 -15.441 3.736 1.00 1.00 H new ATOM 0 HG2 ARG A 32 21.291 -14.822 2.763 1.00 1.00 H new ATOM 0 HG3 ARG A 32 20.777 -15.065 4.420 1.00 1.00 H new ATOM 0 HD2 ARG A 32 23.095 -13.230 3.650 1.00 1.00 H new ATOM 0 HD3 ARG A 32 21.445 -12.666 3.826 1.00 1.00 H new ATOM 0 HE ARG A 32 23.264 -13.543 6.006 1.00 1.00 H new ATOM 0 HH11 ARG A 32 19.926 -12.703 5.051 1.00 1.00 H new ATOM 0 HH12 ARG A 32 19.408 -12.381 6.709 1.00 1.00 H new ATOM 0 HH21 ARG A 32 22.593 -13.131 8.108 1.00 1.00 H new ATOM 0 HH22 ARG A 32 20.935 -12.627 8.449 1.00 1.00 H new ATOM 512 N LYS A 33 20.060 -17.159 3.168 1.00 1.00 N ATOM 513 CA LYS A 33 18.756 -17.692 3.524 1.00 1.00 C ATOM 514 C LYS A 33 17.676 -16.970 2.715 1.00 1.00 C ATOM 515 O LYS A 33 17.953 -15.963 2.064 1.00 1.00 O ATOM 516 CB LYS A 33 18.542 -17.619 5.037 1.00 1.00 C ATOM 517 CG LYS A 33 18.227 -16.188 5.478 1.00 1.00 C ATOM 518 CD LYS A 33 16.755 -16.046 5.871 1.00 1.00 C ATOM 519 CE LYS A 33 16.179 -14.722 5.365 1.00 1.00 C ATOM 520 NZ LYS A 33 15.306 -14.111 6.393 1.00 1.00 N ATOM 0 H LYS A 33 20.034 -16.299 2.621 1.00 1.00 H new ATOM 0 HA LYS A 33 18.694 -18.749 3.267 1.00 1.00 H new ATOM 0 HB2 LYS A 33 17.725 -18.280 5.325 1.00 1.00 H new ATOM 0 HB3 LYS A 33 19.435 -17.974 5.552 1.00 1.00 H new ATOM 0 HG2 LYS A 33 18.860 -15.916 6.323 1.00 1.00 H new ATOM 0 HG3 LYS A 33 18.460 -15.495 4.669 1.00 1.00 H new ATOM 0 HD2 LYS A 33 16.183 -16.877 5.459 1.00 1.00 H new ATOM 0 HD3 LYS A 33 16.657 -16.099 6.955 1.00 1.00 H new ATOM 0 HE2 LYS A 33 16.990 -14.038 5.114 1.00 1.00 H new ATOM 0 HE3 LYS A 33 15.611 -14.891 4.450 1.00 1.00 H new ATOM 0 HZ1 LYS A 33 14.923 -13.213 6.034 1.00 1.00 H new ATOM 0 HZ2 LYS A 33 14.522 -14.759 6.612 1.00 1.00 H new ATOM 0 HZ3 LYS A 33 15.859 -13.931 7.256 1.00 1.00 H new ATOM 533 N LYS A 34 16.470 -17.513 2.781 1.00 1.00 N ATOM 534 CA LYS A 34 15.348 -16.933 2.063 1.00 1.00 C ATOM 535 C LYS A 34 14.050 -17.593 2.534 1.00 1.00 C ATOM 536 O LYS A 34 13.264 -16.980 3.255 1.00 1.00 O ATOM 537 CB LYS A 34 15.572 -17.028 0.552 1.00 1.00 C ATOM 538 CG LYS A 34 15.525 -15.643 -0.097 1.00 1.00 C ATOM 539 CD LYS A 34 14.091 -15.112 -0.152 1.00 1.00 C ATOM 540 CE LYS A 34 13.975 -13.770 0.573 1.00 1.00 C ATOM 541 NZ LYS A 34 13.787 -13.980 2.026 1.00 1.00 N ATOM 0 H LYS A 34 16.245 -18.349 3.321 1.00 1.00 H new ATOM 0 HA LYS A 34 15.264 -15.869 2.284 1.00 1.00 H new ATOM 0 HB2 LYS A 34 16.537 -17.495 0.352 1.00 1.00 H new ATOM 0 HB3 LYS A 34 14.810 -17.668 0.107 1.00 1.00 H new ATOM 0 HG2 LYS A 34 16.151 -14.952 0.467 1.00 1.00 H new ATOM 0 HG3 LYS A 34 15.936 -15.696 -1.105 1.00 1.00 H new ATOM 0 HD2 LYS A 34 13.782 -14.996 -1.191 1.00 1.00 H new ATOM 0 HD3 LYS A 34 13.414 -15.835 0.303 1.00 1.00 H new ATOM 0 HE2 LYS A 34 14.873 -13.177 0.399 1.00 1.00 H new ATOM 0 HE3 LYS A 34 13.135 -13.204 0.170 1.00 1.00 H new ATOM 0 HZ1 LYS A 34 13.093 -13.296 2.389 1.00 1.00 H new ATOM 0 HZ2 LYS A 34 13.441 -14.946 2.195 1.00 1.00 H new ATOM 0 HZ3 LYS A 34 14.694 -13.846 2.516 1.00 1.00 H new ATOM 554 N GLY A 35 13.866 -18.834 2.107 1.00 1.00 N ATOM 555 CA GLY A 35 12.677 -19.583 2.476 1.00 1.00 C ATOM 556 C GLY A 35 12.982 -21.079 2.579 1.00 1.00 C ATOM 557 O GLY A 35 14.128 -21.496 2.415 1.00 1.00 O ATOM 0 H GLY A 35 14.520 -19.339 1.509 1.00 1.00 H new ATOM 0 HA2 GLY A 35 12.295 -19.219 3.430 1.00 1.00 H new ATOM 0 HA3 GLY A 35 11.894 -19.418 1.736 1.00 1.00 H new ATOM 561 N CYS A 36 11.936 -21.846 2.850 1.00 1.00 N ATOM 562 CA CYS A 36 12.078 -23.287 2.977 1.00 1.00 C ATOM 563 C CYS A 36 11.877 -23.913 1.596 1.00 1.00 C ATOM 564 O CYS A 36 10.786 -23.843 1.031 1.00 1.00 O ATOM 565 CB CYS A 36 11.108 -23.862 4.011 1.00 1.00 C ATOM 566 SG CYS A 36 11.533 -25.606 4.366 1.00 1.00 S ATOM 0 H CYS A 36 10.987 -21.497 2.985 1.00 1.00 H new ATOM 0 HA CYS A 36 13.077 -23.526 3.341 1.00 1.00 H new ATOM 0 HB2 CYS A 36 11.151 -23.275 4.928 1.00 1.00 H new ATOM 0 HB3 CYS A 36 10.086 -23.797 3.638 1.00 1.00 H new ATOM 571 N TRP A 37 12.946 -24.510 1.090 1.00 1.00 N ATOM 572 CA TRP A 37 12.901 -25.148 -0.214 1.00 1.00 C ATOM 573 C TRP A 37 12.509 -26.613 -0.011 1.00 1.00 C ATOM 574 O TRP A 37 12.652 -27.429 -0.920 1.00 1.00 O ATOM 575 CB TRP A 37 14.230 -24.982 -0.953 1.00 1.00 C ATOM 576 CG TRP A 37 14.147 -24.088 -2.192 1.00 1.00 C ATOM 577 CD1 TRP A 37 14.843 -22.973 -2.453 1.00 1.00 C ATOM 578 CD2 TRP A 37 13.287 -24.281 -3.335 1.00 1.00 C ATOM 579 NE1 TRP A 37 14.496 -22.435 -3.676 1.00 1.00 N ATOM 580 CE2 TRP A 37 13.520 -23.256 -4.229 1.00 1.00 C ATOM 581 CE3 TRP A 37 12.344 -25.288 -3.604 1.00 1.00 C ATOM 582 CZ2 TRP A 37 12.849 -23.139 -5.452 1.00 1.00 C ATOM 583 CZ3 TRP A 37 11.682 -25.157 -4.830 1.00 1.00 C ATOM 584 CH2 TRP A 37 11.904 -24.131 -5.741 1.00 1.00 C ATOM 0 H TRP A 37 13.849 -24.565 1.560 1.00 1.00 H new ATOM 0 HA TRP A 37 12.154 -24.672 -0.849 1.00 1.00 H new ATOM 0 HB2 TRP A 37 14.966 -24.565 -0.266 1.00 1.00 H new ATOM 0 HB3 TRP A 37 14.593 -25.965 -1.251 1.00 1.00 H new ATOM 0 HD1 TRP A 37 15.582 -22.549 -1.790 1.00 1.00 H new ATOM 0 HE1 TRP A 37 14.884 -21.591 -4.096 1.00 1.00 H new ATOM 0 HE3 TRP A 37 12.146 -26.099 -2.919 1.00 1.00 H new ATOM 0 HZ2 TRP A 37 13.049 -22.327 -6.136 1.00 1.00 H new ATOM 0 HZ3 TRP A 37 10.947 -25.906 -5.086 1.00 1.00 H new ATOM 0 HH2 TRP A 37 11.350 -24.099 -6.668 1.00 1.00 H new ATOM 595 N LYS A 38 12.022 -26.901 1.187 1.00 1.00 N ATOM 596 CA LYS A 38 11.608 -28.254 1.521 1.00 1.00 C ATOM 597 C LYS A 38 10.080 -28.331 1.514 1.00 1.00 C ATOM 598 O LYS A 38 9.506 -29.281 0.983 1.00 1.00 O ATOM 599 CB LYS A 38 12.241 -28.697 2.842 1.00 1.00 C ATOM 600 CG LYS A 38 12.257 -30.222 2.958 1.00 1.00 C ATOM 601 CD LYS A 38 11.990 -30.666 4.397 1.00 1.00 C ATOM 602 CE LYS A 38 11.519 -32.120 4.444 1.00 1.00 C ATOM 603 NZ LYS A 38 10.083 -32.212 4.101 1.00 1.00 N ATOM 0 H LYS A 38 11.905 -26.221 1.938 1.00 1.00 H new ATOM 0 HA LYS A 38 11.966 -28.959 0.771 1.00 1.00 H new ATOM 0 HB2 LYS A 38 13.259 -28.313 2.908 1.00 1.00 H new ATOM 0 HB3 LYS A 38 11.685 -28.271 3.677 1.00 1.00 H new ATOM 0 HG2 LYS A 38 11.503 -30.648 2.296 1.00 1.00 H new ATOM 0 HG3 LYS A 38 13.223 -30.605 2.629 1.00 1.00 H new ATOM 0 HD2 LYS A 38 12.898 -30.555 4.990 1.00 1.00 H new ATOM 0 HD3 LYS A 38 11.235 -30.021 4.846 1.00 1.00 H new ATOM 0 HE2 LYS A 38 12.104 -32.720 3.748 1.00 1.00 H new ATOM 0 HE3 LYS A 38 11.688 -32.531 5.439 1.00 1.00 H new ATOM 0 HZ1 LYS A 38 9.612 -32.873 4.752 1.00 1.00 H new ATOM 0 HZ2 LYS A 38 9.645 -31.272 4.185 1.00 1.00 H new ATOM 0 HZ3 LYS A 38 9.981 -32.556 3.125 1.00 1.00 H new ATOM 616 N CYS A 39 9.465 -27.320 2.109 1.00 1.00 N ATOM 617 CA CYS A 39 8.015 -27.262 2.178 1.00 1.00 C ATOM 618 C CYS A 39 7.533 -26.162 1.231 1.00 1.00 C ATOM 619 O CYS A 39 6.380 -26.167 0.803 1.00 1.00 O ATOM 620 CB CYS A 39 7.525 -27.038 3.610 1.00 1.00 C ATOM 621 SG CYS A 39 8.337 -25.562 4.325 1.00 1.00 S ATOM 0 H CYS A 39 9.945 -26.534 2.548 1.00 1.00 H new ATOM 0 HA CYS A 39 7.595 -28.218 1.866 1.00 1.00 H new ATOM 0 HB2 CYS A 39 6.443 -26.907 3.617 1.00 1.00 H new ATOM 0 HB3 CYS A 39 7.744 -27.915 4.219 1.00 1.00 H new ATOM 626 N GLY A 40 8.440 -25.243 0.932 1.00 1.00 N ATOM 627 CA GLY A 40 8.121 -24.138 0.044 1.00 1.00 C ATOM 628 C GLY A 40 7.614 -22.929 0.833 1.00 1.00 C ATOM 629 O GLY A 40 7.210 -21.926 0.246 1.00 1.00 O ATOM 0 H GLY A 40 9.395 -25.241 1.289 1.00 1.00 H new ATOM 0 HA2 GLY A 40 9.006 -23.859 -0.527 1.00 1.00 H new ATOM 0 HA3 GLY A 40 7.364 -24.451 -0.675 1.00 1.00 H new ATOM 633 N LYS A 41 7.651 -23.065 2.150 1.00 1.00 N ATOM 634 CA LYS A 41 7.200 -21.996 3.025 1.00 1.00 C ATOM 635 C LYS A 41 8.271 -20.905 3.085 1.00 1.00 C ATOM 636 O LYS A 41 9.251 -21.031 3.817 1.00 1.00 O ATOM 637 CB LYS A 41 6.814 -22.553 4.397 1.00 1.00 C ATOM 638 CG LYS A 41 5.596 -23.474 4.291 1.00 1.00 C ATOM 639 CD LYS A 41 4.298 -22.692 4.501 1.00 1.00 C ATOM 640 CE LYS A 41 3.542 -22.519 3.182 1.00 1.00 C ATOM 641 NZ LYS A 41 2.519 -23.578 3.029 1.00 1.00 N ATOM 0 H LYS A 41 7.986 -23.899 2.633 1.00 1.00 H new ATOM 0 HA LYS A 41 6.296 -21.535 2.627 1.00 1.00 H new ATOM 0 HB2 LYS A 41 7.655 -23.103 4.820 1.00 1.00 H new ATOM 0 HB3 LYS A 41 6.595 -21.731 5.079 1.00 1.00 H new ATOM 0 HG2 LYS A 41 5.582 -23.953 3.312 1.00 1.00 H new ATOM 0 HG3 LYS A 41 5.670 -24.268 5.034 1.00 1.00 H new ATOM 0 HD2 LYS A 41 3.667 -23.214 5.220 1.00 1.00 H new ATOM 0 HD3 LYS A 41 4.523 -21.714 4.926 1.00 1.00 H new ATOM 0 HE2 LYS A 41 3.066 -21.539 3.154 1.00 1.00 H new ATOM 0 HE3 LYS A 41 4.242 -22.557 2.347 1.00 1.00 H new ATOM 0 HZ1 LYS A 41 2.015 -23.446 2.129 1.00 1.00 H new ATOM 0 HZ2 LYS A 41 2.981 -24.510 3.034 1.00 1.00 H new ATOM 0 HZ3 LYS A 41 1.842 -23.523 3.816 1.00 1.00 H new ATOM 654 N GLU A 42 8.048 -19.858 2.304 1.00 1.00 N ATOM 655 CA GLU A 42 8.981 -18.745 2.259 1.00 1.00 C ATOM 656 C GLU A 42 8.829 -17.873 3.507 1.00 1.00 C ATOM 657 O GLU A 42 8.078 -16.899 3.500 1.00 1.00 O ATOM 658 CB GLU A 42 8.788 -17.919 0.986 1.00 1.00 C ATOM 659 CG GLU A 42 7.436 -17.204 0.996 1.00 1.00 C ATOM 660 CD GLU A 42 6.899 -17.025 -0.426 1.00 1.00 C ATOM 661 OE1 GLU A 42 6.911 -15.904 -0.956 1.00 1.00 O ATOM 662 OE2 GLU A 42 6.460 -18.103 -0.983 1.00 1.00 O ATOM 0 H GLU A 42 7.234 -19.757 1.697 1.00 1.00 H new ATOM 0 HA GLU A 42 9.994 -19.147 2.242 1.00 1.00 H new ATOM 0 HB2 GLU A 42 9.590 -17.186 0.899 1.00 1.00 H new ATOM 0 HB3 GLU A 42 8.853 -18.569 0.113 1.00 1.00 H new ATOM 0 HG2 GLU A 42 6.722 -17.776 1.589 1.00 1.00 H new ATOM 0 HG3 GLU A 42 7.539 -16.230 1.475 1.00 1.00 H new ATOM 670 N GLY A 43 9.554 -18.254 4.548 1.00 1.00 N ATOM 671 CA GLY A 43 9.510 -17.519 5.800 1.00 1.00 C ATOM 672 C GLY A 43 10.237 -18.281 6.910 1.00 1.00 C ATOM 673 O GLY A 43 10.868 -17.675 7.774 1.00 1.00 O ATOM 0 H GLY A 43 10.176 -19.063 4.550 1.00 1.00 H new ATOM 0 HA2 GLY A 43 9.968 -16.539 5.667 1.00 1.00 H new ATOM 0 HA3 GLY A 43 8.473 -17.349 6.090 1.00 1.00 H new ATOM 677 N HIS A 44 10.125 -19.600 6.850 1.00 1.00 N ATOM 678 CA HIS A 44 10.764 -20.452 7.838 1.00 1.00 C ATOM 679 C HIS A 44 11.858 -21.286 7.168 1.00 1.00 C ATOM 680 O HIS A 44 11.862 -21.444 5.948 1.00 1.00 O ATOM 681 CB HIS A 44 9.729 -21.309 8.568 1.00 1.00 C ATOM 682 CG HIS A 44 9.371 -22.587 7.847 1.00 1.00 C ATOM 683 ND1 HIS A 44 8.068 -22.929 7.528 1.00 1.00 N ATOM 684 CD2 HIS A 44 10.159 -23.601 7.386 1.00 1.00 C ATOM 685 CE1 HIS A 44 8.083 -24.097 6.905 1.00 1.00 C ATOM 686 NE2 HIS A 44 9.380 -24.513 6.818 1.00 1.00 N ATOM 0 H HIS A 44 9.601 -20.100 6.132 1.00 1.00 H new ATOM 0 HA HIS A 44 11.241 -19.835 8.599 1.00 1.00 H new ATOM 0 HB2 HIS A 44 10.111 -21.557 9.558 1.00 1.00 H new ATOM 0 HB3 HIS A 44 8.823 -20.721 8.714 1.00 1.00 H new ATOM 0 HD1 HIS A 44 7.237 -22.375 7.737 1.00 1.00 H new ATOM 0 HD2 HIS A 44 11.235 -23.653 7.469 1.00 1.00 H new ATOM 0 HE1 HIS A 44 7.220 -24.628 6.531 1.00 1.00 H new ATOM 694 N GLN A 45 12.758 -21.797 7.994 1.00 1.00 N ATOM 695 CA GLN A 45 13.854 -22.611 7.496 1.00 1.00 C ATOM 696 C GLN A 45 13.787 -24.016 8.097 1.00 1.00 C ATOM 697 O GLN A 45 12.843 -24.344 8.814 1.00 1.00 O ATOM 698 CB GLN A 45 15.203 -21.952 7.790 1.00 1.00 C ATOM 699 CG GLN A 45 15.585 -20.967 6.684 1.00 1.00 C ATOM 700 CD GLN A 45 15.856 -19.575 7.259 1.00 1.00 C ATOM 701 OE1 GLN A 45 16.967 -19.071 7.235 1.00 1.00 O ATOM 702 NE2 GLN A 45 14.783 -18.985 7.776 1.00 1.00 N ATOM 0 H GLN A 45 12.751 -21.663 9.005 1.00 1.00 H new ATOM 0 HA GLN A 45 13.756 -22.695 6.414 1.00 1.00 H new ATOM 0 HB2 GLN A 45 15.156 -21.430 8.746 1.00 1.00 H new ATOM 0 HB3 GLN A 45 15.973 -22.718 7.882 1.00 1.00 H new ATOM 0 HG2 GLN A 45 16.471 -21.327 6.161 1.00 1.00 H new ATOM 0 HG3 GLN A 45 14.782 -20.911 5.949 1.00 1.00 H new ATOM 0 HE21 GLN A 45 13.882 -19.463 7.763 1.00 1.00 H new ATOM 0 HE22 GLN A 45 14.860 -18.054 8.185 1.00 1.00 H new ATOM 711 N MET A 46 14.802 -24.808 7.782 1.00 1.00 N ATOM 712 CA MET A 46 14.870 -26.171 8.282 1.00 1.00 C ATOM 713 C MET A 46 14.801 -26.198 9.811 1.00 1.00 C ATOM 714 O MET A 46 14.154 -27.069 10.391 1.00 1.00 O ATOM 715 CB MET A 46 16.175 -26.821 7.818 1.00 1.00 C ATOM 716 CG MET A 46 16.398 -26.595 6.321 1.00 1.00 C ATOM 717 SD MET A 46 17.585 -25.285 6.071 1.00 1.00 S ATOM 718 CE MET A 46 19.025 -26.250 5.643 1.00 1.00 C ATOM 0 H MET A 46 15.583 -24.532 7.187 1.00 1.00 H new ATOM 0 HA MET A 46 14.018 -26.725 7.888 1.00 1.00 H new ATOM 0 HB2 MET A 46 17.012 -26.407 8.381 1.00 1.00 H new ATOM 0 HB3 MET A 46 16.148 -27.890 8.028 1.00 1.00 H new ATOM 0 HG2 MET A 46 16.755 -27.514 5.855 1.00 1.00 H new ATOM 0 HG3 MET A 46 15.455 -26.339 5.839 1.00 1.00 H new ATOM 0 HE1 MET A 46 19.866 -25.584 5.453 1.00 1.00 H new ATOM 0 HE2 MET A 46 19.272 -26.920 6.466 1.00 1.00 H new ATOM 0 HE3 MET A 46 18.817 -26.836 4.748 1.00 1.00 H new ATOM 728 N LYS A 47 15.477 -25.235 10.419 1.00 1.00 N ATOM 729 CA LYS A 47 15.501 -25.138 11.868 1.00 1.00 C ATOM 730 C LYS A 47 14.088 -24.849 12.379 1.00 1.00 C ATOM 731 O LYS A 47 13.745 -25.210 13.503 1.00 1.00 O ATOM 732 CB LYS A 47 16.541 -24.110 12.319 1.00 1.00 C ATOM 733 CG LYS A 47 16.745 -24.165 13.835 1.00 1.00 C ATOM 734 CD LYS A 47 17.101 -22.785 14.391 1.00 1.00 C ATOM 735 CE LYS A 47 18.613 -22.555 14.361 1.00 1.00 C ATOM 736 NZ LYS A 47 18.917 -21.147 14.021 1.00 1.00 N ATOM 0 H LYS A 47 16.012 -24.515 9.934 1.00 1.00 H new ATOM 0 HA LYS A 47 15.812 -26.085 12.308 1.00 1.00 H new ATOM 0 HB2 LYS A 47 17.488 -24.300 11.814 1.00 1.00 H new ATOM 0 HB3 LYS A 47 16.219 -23.110 12.028 1.00 1.00 H new ATOM 0 HG2 LYS A 47 15.837 -24.531 14.315 1.00 1.00 H new ATOM 0 HG3 LYS A 47 17.539 -24.873 14.073 1.00 1.00 H new ATOM 0 HD2 LYS A 47 16.601 -22.013 13.806 1.00 1.00 H new ATOM 0 HD3 LYS A 47 16.736 -22.696 15.414 1.00 1.00 H new ATOM 0 HE2 LYS A 47 19.044 -22.802 15.331 1.00 1.00 H new ATOM 0 HE3 LYS A 47 19.073 -23.219 13.630 1.00 1.00 H new ATOM 0 HZ1 LYS A 47 19.948 -21.008 14.005 1.00 1.00 H new ATOM 0 HZ2 LYS A 47 18.523 -20.923 13.085 1.00 1.00 H new ATOM 0 HZ3 LYS A 47 18.494 -20.519 14.734 1.00 1.00 H new ATOM 749 N ASP A 48 13.307 -24.199 11.528 1.00 1.00 N ATOM 750 CA ASP A 48 11.939 -23.858 11.879 1.00 1.00 C ATOM 751 C ASP A 48 10.976 -24.670 11.011 1.00 1.00 C ATOM 752 O ASP A 48 9.799 -24.331 10.901 1.00 1.00 O ATOM 753 CB ASP A 48 11.662 -22.373 11.632 1.00 1.00 C ATOM 754 CG ASP A 48 12.603 -21.410 12.358 1.00 1.00 C ATOM 755 OD1 ASP A 48 13.833 -21.561 12.309 1.00 1.00 O ATOM 756 OD2 ASP A 48 12.019 -20.458 13.003 1.00 1.00 O ATOM 0 H ASP A 48 13.596 -23.900 10.597 1.00 1.00 H new ATOM 0 HA ASP A 48 11.796 -24.081 12.936 1.00 1.00 H new ATOM 0 HB2 ASP A 48 11.725 -22.180 10.561 1.00 1.00 H new ATOM 0 HB3 ASP A 48 10.638 -22.155 11.935 1.00 1.00 H new ATOM 762 N CYS A 49 11.513 -25.725 10.416 1.00 1.00 N ATOM 763 CA CYS A 49 10.716 -26.588 9.561 1.00 1.00 C ATOM 764 C CYS A 49 10.117 -27.699 10.425 1.00 1.00 C ATOM 765 O CYS A 49 10.834 -28.584 10.889 1.00 1.00 O ATOM 766 CB CYS A 49 11.538 -27.148 8.399 1.00 1.00 C ATOM 767 SG CYS A 49 10.452 -28.074 7.253 1.00 1.00 S ATOM 0 H CYS A 49 12.490 -26.002 10.509 1.00 1.00 H new ATOM 0 HA CYS A 49 9.912 -26.011 9.105 1.00 1.00 H new ATOM 0 HB2 CYS A 49 12.032 -26.335 7.867 1.00 1.00 H new ATOM 0 HB3 CYS A 49 12.322 -27.803 8.780 1.00 1.00 H new ATOM 772 N THR A 50 8.808 -27.618 10.613 1.00 1.00 N ATOM 773 CA THR A 50 8.104 -28.606 11.413 1.00 1.00 C ATOM 774 C THR A 50 8.058 -29.949 10.682 1.00 1.00 C ATOM 775 O THR A 50 7.603 -30.948 11.238 1.00 1.00 O ATOM 776 CB THR A 50 6.719 -28.047 11.745 1.00 1.00 C ATOM 777 OG1 THR A 50 6.985 -26.749 12.268 1.00 1.00 O ATOM 778 CG2 THR A 50 6.051 -28.787 12.905 1.00 1.00 C ATOM 0 H THR A 50 8.216 -26.883 10.225 1.00 1.00 H new ATOM 0 HA THR A 50 8.625 -28.799 12.351 1.00 1.00 H new ATOM 0 HB THR A 50 6.082 -28.107 10.862 1.00 1.00 H new ATOM 0 HG1 THR A 50 6.140 -26.314 12.508 1.00 1.00 H new ATOM 0 HG21 THR A 50 5.071 -28.350 13.099 1.00 1.00 H new ATOM 0 HG22 THR A 50 5.934 -29.839 12.646 1.00 1.00 H new ATOM 0 HG23 THR A 50 6.671 -28.699 13.797 1.00 1.00 H new ATOM 786 N GLU A 51 8.536 -29.931 9.446 1.00 1.00 N ATOM 787 CA GLU A 51 8.555 -31.135 8.633 1.00 1.00 C ATOM 788 C GLU A 51 9.984 -31.453 8.189 1.00 1.00 C ATOM 789 O GLU A 51 10.195 -31.994 7.105 1.00 1.00 O ATOM 790 CB GLU A 51 7.624 -30.996 7.426 1.00 1.00 C ATOM 791 CG GLU A 51 8.194 -30.008 6.405 1.00 1.00 C ATOM 792 CD GLU A 51 7.501 -30.160 5.050 1.00 1.00 C ATOM 793 OE1 GLU A 51 6.277 -29.982 4.956 1.00 1.00 O ATOM 794 OE2 GLU A 51 8.280 -30.473 4.071 1.00 1.00 O ATOM 0 H GLU A 51 8.913 -29.101 8.988 1.00 1.00 H new ATOM 0 HA GLU A 51 8.190 -31.965 9.238 1.00 1.00 H new ATOM 0 HB2 GLU A 51 7.484 -31.970 6.956 1.00 1.00 H new ATOM 0 HB3 GLU A 51 6.642 -30.657 7.757 1.00 1.00 H new ATOM 0 HG2 GLU A 51 8.067 -28.989 6.770 1.00 1.00 H new ATOM 0 HG3 GLU A 51 9.265 -30.175 6.291 1.00 1.00 H new ATOM 802 N ARG A 52 10.928 -31.105 9.051 1.00 1.00 N ATOM 803 CA ARG A 52 12.331 -31.347 8.762 1.00 1.00 C ATOM 804 C ARG A 52 13.191 -31.005 9.981 1.00 1.00 C ATOM 805 O ARG A 52 13.051 -29.930 10.562 1.00 1.00 O ATOM 806 CB ARG A 52 12.799 -30.514 7.567 1.00 1.00 C ATOM 807 CG ARG A 52 14.111 -31.060 6.998 1.00 1.00 C ATOM 808 CD ARG A 52 14.869 -29.975 6.231 1.00 1.00 C ATOM 809 NE ARG A 52 15.426 -30.535 4.979 1.00 1.00 N ATOM 810 CZ ARG A 52 15.766 -29.793 3.904 1.00 1.00 C ATOM 811 NH1 ARG A 52 15.609 -28.453 3.918 1.00 1.00 N ATOM 812 NH2 ARG A 52 16.255 -30.399 2.838 1.00 1.00 N ATOM 0 H ARG A 52 10.749 -30.657 9.950 1.00 1.00 H new ATOM 0 HA ARG A 52 12.442 -32.404 8.520 1.00 1.00 H new ATOM 0 HB2 ARG A 52 12.032 -30.520 6.792 1.00 1.00 H new ATOM 0 HB3 ARG A 52 12.935 -29.477 7.873 1.00 1.00 H new ATOM 0 HG2 ARG A 52 14.733 -31.439 7.809 1.00 1.00 H new ATOM 0 HG3 ARG A 52 13.903 -31.900 6.336 1.00 1.00 H new ATOM 0 HD2 ARG A 52 14.200 -29.145 6.002 1.00 1.00 H new ATOM 0 HD3 ARG A 52 15.673 -29.575 6.849 1.00 1.00 H new ATOM 0 HE ARG A 52 15.561 -31.545 4.925 1.00 1.00 H new ATOM 0 HH11 ARG A 52 15.231 -27.992 4.746 1.00 1.00 H new ATOM 0 HH12 ARG A 52 15.869 -27.901 3.101 1.00 1.00 H new ATOM 0 HH21 ARG A 52 16.371 -31.412 2.836 1.00 1.00 H new ATOM 0 HH22 ARG A 52 16.517 -29.854 2.017 1.00 1.00 H new ATOM 825 N GLN A 53 14.061 -31.941 10.332 1.00 1.00 N ATOM 826 CA GLN A 53 14.944 -31.752 11.471 1.00 1.00 C ATOM 827 C GLN A 53 15.955 -32.897 11.554 1.00 1.00 C ATOM 828 O GLN A 53 15.967 -33.649 12.528 1.00 1.00 O ATOM 829 CB GLN A 53 14.144 -31.631 12.770 1.00 1.00 C ATOM 830 CG GLN A 53 13.379 -32.923 13.065 1.00 1.00 C ATOM 831 CD GLN A 53 12.108 -32.636 13.867 1.00 1.00 C ATOM 832 OE1 GLN A 53 10.995 -32.786 13.389 1.00 1.00 O ATOM 833 NE2 GLN A 53 12.334 -32.216 15.108 1.00 1.00 N ATOM 0 H GLN A 53 14.173 -32.832 9.848 1.00 1.00 H new ATOM 0 HA GLN A 53 15.491 -30.820 11.332 1.00 1.00 H new ATOM 0 HB2 GLN A 53 14.818 -31.406 13.597 1.00 1.00 H new ATOM 0 HB3 GLN A 53 13.444 -30.799 12.694 1.00 1.00 H new ATOM 0 HG2 GLN A 53 13.119 -33.418 12.129 1.00 1.00 H new ATOM 0 HG3 GLN A 53 14.017 -33.609 13.622 1.00 1.00 H new ATOM 0 HE21 GLN A 53 13.291 -32.112 15.445 1.00 1.00 H new ATOM 0 HE22 GLN A 53 11.550 -31.998 15.723 1.00 1.00 H new ATOM 842 N ALA A 54 16.778 -32.994 10.521 1.00 1.00 N ATOM 843 CA ALA A 54 17.790 -34.035 10.465 1.00 1.00 C ATOM 844 C ALA A 54 18.653 -33.834 9.218 1.00 1.00 C ATOM 845 O ALA A 54 18.366 -32.969 8.392 1.00 1.00 O ATOM 846 CB ALA A 54 17.114 -35.407 10.491 1.00 1.00 C ATOM 0 H ALA A 54 16.765 -32.368 9.715 1.00 1.00 H new ATOM 0 HA ALA A 54 18.446 -33.979 11.333 1.00 1.00 H new ATOM 0 HB1 ALA A 54 17.874 -36.188 10.449 1.00 1.00 H new ATOM 0 HB2 ALA A 54 16.537 -35.511 11.410 1.00 1.00 H new ATOM 0 HB3 ALA A 54 16.449 -35.501 9.633 1.00 1.00 H new ATOM 852 N ASN A 55 19.694 -34.649 9.120 1.00 1.00 N ATOM 853 CA ASN A 55 20.601 -34.572 7.987 1.00 1.00 C ATOM 854 C ASN A 55 21.223 -33.175 7.932 1.00 1.00 C ATOM 855 O ASN A 55 22.254 -32.926 8.556 1.00 1.00 O ATOM 856 CB ASN A 55 19.859 -34.811 6.671 1.00 1.00 C ATOM 857 CG ASN A 55 20.205 -36.183 6.088 1.00 1.00 C ATOM 858 OD1 ASN A 55 19.487 -37.155 6.254 1.00 1.00 O ATOM 859 ND2 ASN A 55 21.342 -36.207 5.398 1.00 1.00 N ATOM 0 H ASN A 55 19.929 -35.366 9.807 1.00 1.00 H new ATOM 0 HA ASN A 55 21.366 -35.338 8.114 1.00 1.00 H new ATOM 0 HB2 ASN A 55 18.784 -34.743 6.838 1.00 1.00 H new ATOM 0 HB3 ASN A 55 20.120 -34.031 5.955 1.00 1.00 H new ATOM 0 HD21 ASN A 55 21.660 -37.076 4.969 1.00 1.00 H new ATOM 0 HD22 ASN A 55 21.896 -35.356 5.298 1.00 1.00 H new TER 866 ASN A 55 HETATM 867 ZN ZN A 56 20.317 -7.624 -0.226 1.00 1.00 ZN HETATM 868 ZN ZN A 57 9.904 -26.270 5.931 1.00 1.00 ZN