USER MOD reduce.3.24.130724 H: found=0, std=0, add=523, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 523 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 19 LYS NZ :NH3+ 156:sc= 2.35 (180deg=1.24) USER MOD Set 1.2: A 23 TYR OH : rot 0:sc= 1.02 USER MOD Set 2.1: A 13 TYR OH : rot 154:sc= 2.2 USER MOD Set 2.2: A 49 LYS NZ :NH3+ -164:sc= 3.24 (180deg=1.72) USER MOD Set 3.1: A 1 MET N :NH3+ 152:sc= 1.53 (180deg=0.222) USER MOD Set 3.2: A 3 GLN : amide:sc= 2.7 K(o=5.5,f=-10!) USER MOD Set 3.3: A 60 GLN : amide:sc= 1.31 K(o=5.5,f=-8.5!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 169:sc= 1.19 (180deg=1.11) USER MOD Single : A 5 LYS NZ :NH3+ 141:sc= 2.1 (180deg=0.958) USER MOD Single : A 12 LYS NZ :NH3+ -172:sc= 2.42 (180deg=2.27) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ -142:sc= 2.29 (180deg=0.516) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -0.245 K(o=-0.25,f=-2.9!) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.031) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ -156:sc= 1.19 (180deg=0.973) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= 1.11 K(o=1.1,f=-2.5!) USER MOD Single : A 65 GLN : amide:sc= 1.08 K(o=1.1,f=-0.03) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 22.003 -42.128 -10.003 1.00 0.00 N ATOM 2 CA MET A 1 21.677 -42.646 -8.676 1.00 0.00 C ATOM 3 C MET A 1 20.364 -43.462 -8.657 1.00 0.00 C ATOM 4 O MET A 1 20.410 -44.691 -8.644 1.00 0.00 O ATOM 5 CB MET A 1 21.663 -41.489 -7.629 1.00 0.00 C ATOM 6 CG MET A 1 23.044 -40.999 -7.113 1.00 0.00 C ATOM 7 SD MET A 1 24.048 -40.041 -8.282 1.00 0.00 S ATOM 8 CE MET A 1 25.452 -41.156 -8.542 1.00 0.00 C ATOM 0 H1 MET A 1 22.560 -41.255 -9.908 1.00 0.00 H new ATOM 0 H2 MET A 1 22.557 -42.836 -10.526 1.00 0.00 H new ATOM 0 H3 MET A 1 21.125 -41.924 -10.521 1.00 0.00 H new ATOM 0 HA MET A 1 22.463 -43.349 -8.398 1.00 0.00 H new ATOM 0 HB2 MET A 1 21.143 -40.638 -8.069 1.00 0.00 H new ATOM 0 HB3 MET A 1 21.075 -41.814 -6.771 1.00 0.00 H new ATOM 0 HG2 MET A 1 22.880 -40.390 -6.224 1.00 0.00 H new ATOM 0 HG3 MET A 1 23.621 -41.870 -6.801 1.00 0.00 H new ATOM 0 HE1 MET A 1 26.154 -40.700 -9.240 1.00 0.00 H new ATOM 0 HE2 MET A 1 25.952 -41.339 -7.591 1.00 0.00 H new ATOM 0 HE3 MET A 1 25.095 -42.101 -8.952 1.00 0.00 H new ATOM 20 N LEU A 2 19.192 -42.808 -8.679 1.00 0.00 N ATOM 21 CA LEU A 2 17.887 -43.481 -8.627 1.00 0.00 C ATOM 22 C LEU A 2 17.085 -43.395 -9.949 1.00 0.00 C ATOM 23 O LEU A 2 15.917 -43.790 -10.000 1.00 0.00 O ATOM 24 CB LEU A 2 17.063 -42.876 -7.451 1.00 0.00 C ATOM 25 CG LEU A 2 17.640 -43.084 -6.028 1.00 0.00 C ATOM 26 CD1 LEU A 2 16.852 -42.230 -5.024 1.00 0.00 C ATOM 27 CD2 LEU A 2 17.574 -44.554 -5.571 1.00 0.00 C ATOM 0 H LEU A 2 19.124 -41.792 -8.734 1.00 0.00 H new ATOM 0 HA LEU A 2 18.074 -44.543 -8.469 1.00 0.00 H new ATOM 0 HB2 LEU A 2 16.957 -41.805 -7.624 1.00 0.00 H new ATOM 0 HB3 LEU A 2 16.061 -43.304 -7.480 1.00 0.00 H new ATOM 0 HG LEU A 2 18.688 -42.786 -6.064 1.00 0.00 H new ATOM 0 HD11 LEU A 2 17.259 -42.377 -4.023 1.00 0.00 H new ATOM 0 HD12 LEU A 2 16.934 -41.178 -5.298 1.00 0.00 H new ATOM 0 HD13 LEU A 2 15.804 -42.528 -5.037 1.00 0.00 H new ATOM 0 HD21 LEU A 2 17.991 -44.642 -4.568 1.00 0.00 H new ATOM 0 HD22 LEU A 2 16.536 -44.886 -5.563 1.00 0.00 H new ATOM 0 HD23 LEU A 2 18.148 -45.175 -6.259 1.00 0.00 H new ATOM 39 N GLN A 3 17.709 -42.915 -11.035 1.00 0.00 N ATOM 40 CA GLN A 3 17.085 -42.700 -12.347 1.00 0.00 C ATOM 41 C GLN A 3 16.464 -43.956 -12.998 1.00 0.00 C ATOM 42 O GLN A 3 15.411 -43.855 -13.632 1.00 0.00 O ATOM 43 CB GLN A 3 18.125 -42.036 -13.299 1.00 0.00 C ATOM 44 CG GLN A 3 18.417 -40.519 -13.033 1.00 0.00 C ATOM 45 CD GLN A 3 19.157 -40.204 -11.721 1.00 0.00 C ATOM 46 OE1 GLN A 3 19.839 -41.027 -11.115 1.00 0.00 O ATOM 47 NE2 GLN A 3 19.054 -38.982 -11.234 1.00 0.00 N ATOM 0 H GLN A 3 18.696 -42.657 -11.022 1.00 0.00 H new ATOM 0 HA GLN A 3 16.233 -42.042 -12.176 1.00 0.00 H new ATOM 0 HB2 GLN A 3 19.063 -42.586 -13.224 1.00 0.00 H new ATOM 0 HB3 GLN A 3 17.773 -42.145 -14.325 1.00 0.00 H new ATOM 0 HG2 GLN A 3 19.006 -40.130 -13.864 1.00 0.00 H new ATOM 0 HG3 GLN A 3 17.470 -39.980 -13.033 1.00 0.00 H new ATOM 0 HE21 GLN A 3 18.493 -38.284 -11.722 1.00 0.00 H new ATOM 0 HE22 GLN A 3 19.536 -38.735 -10.369 1.00 0.00 H new ATOM 56 N LYS A 4 17.078 -45.142 -12.876 1.00 0.00 N ATOM 57 CA LYS A 4 16.459 -46.393 -13.330 1.00 0.00 C ATOM 58 C LYS A 4 15.349 -46.939 -12.407 1.00 0.00 C ATOM 59 O LYS A 4 14.434 -47.591 -12.914 1.00 0.00 O ATOM 60 CB LYS A 4 17.531 -47.447 -13.711 1.00 0.00 C ATOM 61 CG LYS A 4 18.312 -47.079 -15.008 1.00 0.00 C ATOM 62 CD LYS A 4 17.460 -47.176 -16.303 1.00 0.00 C ATOM 63 CE LYS A 4 18.209 -46.668 -17.532 1.00 0.00 C ATOM 64 NZ LYS A 4 17.299 -46.730 -18.672 1.00 0.00 N ATOM 0 H LYS A 4 18.004 -45.260 -12.466 1.00 0.00 H new ATOM 0 HA LYS A 4 15.916 -46.144 -14.242 1.00 0.00 H new ATOM 0 HB2 LYS A 4 18.236 -47.554 -12.887 1.00 0.00 H new ATOM 0 HB3 LYS A 4 17.049 -48.415 -13.846 1.00 0.00 H new ATOM 0 HG2 LYS A 4 18.697 -46.064 -14.913 1.00 0.00 H new ATOM 0 HG3 LYS A 4 19.174 -47.739 -15.101 1.00 0.00 H new ATOM 0 HD2 LYS A 4 17.165 -48.213 -16.464 1.00 0.00 H new ATOM 0 HD3 LYS A 4 16.543 -46.600 -16.176 1.00 0.00 H new ATOM 0 HE2 LYS A 4 18.552 -45.646 -17.374 1.00 0.00 H new ATOM 0 HE3 LYS A 4 19.094 -47.276 -17.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 17.716 -46.221 -19.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 17.140 -47.723 -18.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 16.392 -46.290 -18.416 1.00 0.00 H new ATOM 78 N LYS A 5 15.373 -46.680 -11.086 1.00 0.00 N ATOM 79 CA LYS A 5 14.220 -46.901 -10.197 1.00 0.00 C ATOM 80 C LYS A 5 13.032 -45.994 -10.597 1.00 0.00 C ATOM 81 O LYS A 5 11.873 -46.424 -10.616 1.00 0.00 O ATOM 82 CB LYS A 5 14.631 -46.641 -8.719 1.00 0.00 C ATOM 83 CG LYS A 5 13.501 -46.963 -7.700 1.00 0.00 C ATOM 84 CD LYS A 5 13.300 -45.850 -6.640 1.00 0.00 C ATOM 85 CE LYS A 5 12.015 -46.051 -5.825 1.00 0.00 C ATOM 86 NZ LYS A 5 10.871 -45.637 -6.634 1.00 0.00 N ATOM 0 H LYS A 5 16.194 -46.311 -10.606 1.00 0.00 H new ATOM 0 HA LYS A 5 13.899 -47.938 -10.298 1.00 0.00 H new ATOM 0 HB2 LYS A 5 15.507 -47.244 -8.482 1.00 0.00 H new ATOM 0 HB3 LYS A 5 14.923 -45.597 -8.609 1.00 0.00 H new ATOM 0 HG2 LYS A 5 12.566 -47.115 -8.240 1.00 0.00 H new ATOM 0 HG3 LYS A 5 13.733 -47.900 -7.194 1.00 0.00 H new ATOM 0 HD2 LYS A 5 14.157 -45.833 -5.966 1.00 0.00 H new ATOM 0 HD3 LYS A 5 13.266 -44.880 -7.136 1.00 0.00 H new ATOM 0 HE2 LYS A 5 11.913 -47.097 -5.535 1.00 0.00 H new ATOM 0 HE3 LYS A 5 12.057 -45.468 -4.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 10.079 -46.292 -6.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 10.584 -44.675 -6.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 11.134 -45.650 -7.640 1.00 0.00 H new ATOM 100 N ILE A 6 13.347 -44.729 -10.917 1.00 0.00 N ATOM 101 CA ILE A 6 12.412 -43.797 -11.550 1.00 0.00 C ATOM 102 C ILE A 6 11.903 -44.292 -12.907 1.00 0.00 C ATOM 103 O ILE A 6 10.707 -44.146 -13.123 1.00 0.00 O ATOM 104 CB ILE A 6 13.009 -42.353 -11.595 1.00 0.00 C ATOM 105 CG1 ILE A 6 12.515 -41.555 -10.374 1.00 0.00 C ATOM 106 CG2 ILE A 6 12.805 -41.537 -12.910 1.00 0.00 C ATOM 107 CD1 ILE A 6 13.120 -41.989 -9.018 1.00 0.00 C ATOM 0 H ILE A 6 14.267 -44.325 -10.740 1.00 0.00 H new ATOM 0 HA ILE A 6 11.520 -43.750 -10.925 1.00 0.00 H new ATOM 0 HB ILE A 6 14.088 -42.505 -11.568 1.00 0.00 H new ATOM 0 HG12 ILE A 6 12.740 -40.500 -10.534 1.00 0.00 H new ATOM 0 HG13 ILE A 6 11.430 -41.645 -10.316 1.00 0.00 H new ATOM 0 HG21 ILE A 6 13.268 -40.556 -12.805 1.00 0.00 H new ATOM 0 HG22 ILE A 6 13.266 -42.068 -13.743 1.00 0.00 H new ATOM 0 HG23 ILE A 6 11.739 -41.417 -13.102 1.00 0.00 H new ATOM 0 HD11 ILE A 6 12.710 -41.368 -8.221 1.00 0.00 H new ATOM 0 HD12 ILE A 6 12.874 -43.034 -8.827 1.00 0.00 H new ATOM 0 HD13 ILE A 6 14.203 -41.872 -9.049 1.00 0.00 H new ATOM 119 N GLU A 7 12.700 -44.857 -13.828 1.00 0.00 N ATOM 120 CA GLU A 7 12.149 -45.525 -15.015 1.00 0.00 C ATOM 121 C GLU A 7 11.291 -46.768 -14.705 1.00 0.00 C ATOM 122 O GLU A 7 10.234 -46.920 -15.318 1.00 0.00 O ATOM 123 CB GLU A 7 13.235 -45.874 -16.048 1.00 0.00 C ATOM 124 CG GLU A 7 13.759 -44.617 -16.806 1.00 0.00 C ATOM 125 CD GLU A 7 13.991 -44.929 -18.282 1.00 0.00 C ATOM 126 OE1 GLU A 7 13.027 -44.824 -19.049 1.00 0.00 O ATOM 127 OE2 GLU A 7 15.114 -45.303 -18.634 1.00 0.00 O ATOM 0 H GLU A 7 13.719 -44.864 -13.774 1.00 0.00 H new ATOM 0 HA GLU A 7 11.477 -44.784 -15.448 1.00 0.00 H new ATOM 0 HB2 GLU A 7 14.068 -46.365 -15.544 1.00 0.00 H new ATOM 0 HB3 GLU A 7 12.833 -46.587 -16.767 1.00 0.00 H new ATOM 0 HG2 GLU A 7 13.040 -43.804 -16.711 1.00 0.00 H new ATOM 0 HG3 GLU A 7 14.689 -44.275 -16.352 1.00 0.00 H new ATOM 134 N GLU A 8 11.719 -47.634 -13.772 1.00 0.00 N ATOM 135 CA GLU A 8 10.967 -48.811 -13.312 1.00 0.00 C ATOM 136 C GLU A 8 9.546 -48.489 -12.798 1.00 0.00 C ATOM 137 O GLU A 8 8.608 -49.227 -13.099 1.00 0.00 O ATOM 138 CB GLU A 8 11.815 -49.452 -12.181 1.00 0.00 C ATOM 139 CG GLU A 8 11.350 -50.849 -11.676 1.00 0.00 C ATOM 140 CD GLU A 8 12.015 -51.236 -10.351 1.00 0.00 C ATOM 141 OE1 GLU A 8 13.208 -51.529 -10.345 1.00 0.00 O ATOM 142 OE2 GLU A 8 11.318 -51.245 -9.332 1.00 0.00 O ATOM 0 H GLU A 8 12.620 -47.532 -13.306 1.00 0.00 H new ATOM 0 HA GLU A 8 10.811 -49.483 -14.156 1.00 0.00 H new ATOM 0 HB2 GLU A 8 12.843 -49.540 -12.533 1.00 0.00 H new ATOM 0 HB3 GLU A 8 11.826 -48.768 -11.332 1.00 0.00 H new ATOM 0 HG2 GLU A 8 10.267 -50.846 -11.550 1.00 0.00 H new ATOM 0 HG3 GLU A 8 11.581 -51.601 -12.430 1.00 0.00 H new ATOM 149 N GLU A 9 9.360 -47.402 -12.039 1.00 0.00 N ATOM 150 CA GLU A 9 8.041 -46.946 -11.570 1.00 0.00 C ATOM 151 C GLU A 9 7.953 -45.409 -11.541 1.00 0.00 C ATOM 152 O GLU A 9 7.646 -44.734 -10.552 1.00 0.00 O ATOM 153 CB GLU A 9 7.777 -47.602 -10.181 1.00 0.00 C ATOM 154 CG GLU A 9 8.909 -47.366 -9.135 1.00 0.00 C ATOM 155 CD GLU A 9 8.555 -47.894 -7.749 1.00 0.00 C ATOM 156 OE1 GLU A 9 8.448 -49.112 -7.583 1.00 0.00 O ATOM 157 OE2 GLU A 9 8.423 -47.058 -6.846 1.00 0.00 O ATOM 0 H GLU A 9 10.128 -46.806 -11.729 1.00 0.00 H new ATOM 0 HA GLU A 9 7.259 -47.259 -12.261 1.00 0.00 H new ATOM 0 HB2 GLU A 9 6.841 -47.213 -9.780 1.00 0.00 H new ATOM 0 HB3 GLU A 9 7.643 -48.675 -10.318 1.00 0.00 H new ATOM 0 HG2 GLU A 9 9.823 -47.850 -9.480 1.00 0.00 H new ATOM 0 HG3 GLU A 9 9.119 -46.298 -9.069 1.00 0.00 H new ATOM 164 N ALA A 10 8.206 -44.826 -12.701 1.00 0.00 N ATOM 165 CA ALA A 10 7.285 -44.656 -13.823 1.00 0.00 C ATOM 166 C ALA A 10 6.610 -45.865 -14.517 1.00 0.00 C ATOM 167 O ALA A 10 5.388 -45.817 -14.672 1.00 0.00 O ATOM 168 CB ALA A 10 8.210 -43.933 -14.816 1.00 0.00 C ATOM 0 H ALA A 10 9.124 -44.430 -12.902 1.00 0.00 H new ATOM 0 HA ALA A 10 6.381 -44.172 -13.453 1.00 0.00 H new ATOM 0 HB1 ALA A 10 7.664 -43.725 -15.736 1.00 0.00 H new ATOM 0 HB2 ALA A 10 8.553 -42.996 -14.378 1.00 0.00 H new ATOM 0 HB3 ALA A 10 9.069 -44.565 -15.039 1.00 0.00 H new ATOM 174 N ALA A 11 7.307 -46.924 -14.963 1.00 0.00 N ATOM 175 CA ALA A 11 6.700 -48.016 -15.742 1.00 0.00 C ATOM 176 C ALA A 11 5.711 -48.961 -15.017 1.00 0.00 C ATOM 177 O ALA A 11 4.639 -49.214 -15.563 1.00 0.00 O ATOM 178 CB ALA A 11 7.829 -48.826 -16.415 1.00 0.00 C ATOM 0 H ALA A 11 8.305 -47.047 -14.794 1.00 0.00 H new ATOM 0 HA ALA A 11 6.054 -47.512 -16.461 1.00 0.00 H new ATOM 0 HB1 ALA A 11 7.396 -49.640 -16.997 1.00 0.00 H new ATOM 0 HB2 ALA A 11 8.402 -48.174 -17.074 1.00 0.00 H new ATOM 0 HB3 ALA A 11 8.488 -49.237 -15.650 1.00 0.00 H new ATOM 184 N LYS A 12 6.010 -49.475 -13.815 1.00 0.00 N ATOM 185 CA LYS A 12 5.226 -50.469 -13.047 1.00 0.00 C ATOM 186 C LYS A 12 3.716 -50.196 -12.800 1.00 0.00 C ATOM 187 O LYS A 12 3.021 -51.045 -12.234 1.00 0.00 O ATOM 188 CB LYS A 12 5.976 -50.568 -11.692 1.00 0.00 C ATOM 189 CG LYS A 12 5.733 -51.810 -10.793 1.00 0.00 C ATOM 190 CD LYS A 12 6.561 -51.739 -9.481 1.00 0.00 C ATOM 191 CE LYS A 12 8.061 -51.939 -9.723 1.00 0.00 C ATOM 192 NZ LYS A 12 8.823 -51.532 -8.546 1.00 0.00 N ATOM 0 H LYS A 12 6.856 -49.195 -13.318 1.00 0.00 H new ATOM 0 HA LYS A 12 5.178 -51.380 -13.644 1.00 0.00 H new ATOM 0 HB2 LYS A 12 7.044 -50.516 -11.901 1.00 0.00 H new ATOM 0 HB3 LYS A 12 5.722 -49.683 -11.108 1.00 0.00 H new ATOM 0 HG2 LYS A 12 4.673 -51.882 -10.551 1.00 0.00 H new ATOM 0 HG3 LYS A 12 5.997 -52.714 -11.342 1.00 0.00 H new ATOM 0 HD2 LYS A 12 6.399 -50.772 -9.004 1.00 0.00 H new ATOM 0 HD3 LYS A 12 6.203 -52.500 -8.788 1.00 0.00 H new ATOM 0 HE2 LYS A 12 8.263 -52.985 -9.951 1.00 0.00 H new ATOM 0 HE3 LYS A 12 8.377 -51.357 -10.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 9.839 -51.544 -8.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 8.541 -50.571 -8.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 8.633 -52.191 -7.764 1.00 0.00 H new ATOM 206 N TYR A 13 3.153 -49.055 -13.221 1.00 0.00 N ATOM 207 CA TYR A 13 1.761 -48.698 -12.977 1.00 0.00 C ATOM 208 C TYR A 13 0.884 -49.159 -14.170 1.00 0.00 C ATOM 209 O TYR A 13 0.641 -50.357 -14.317 1.00 0.00 O ATOM 210 CB TYR A 13 1.723 -47.162 -12.731 1.00 0.00 C ATOM 211 CG TYR A 13 2.736 -46.675 -11.680 1.00 0.00 C ATOM 212 CD1 TYR A 13 2.645 -47.044 -10.344 1.00 0.00 C ATOM 213 CD2 TYR A 13 3.765 -45.812 -12.028 1.00 0.00 C ATOM 214 CE1 TYR A 13 3.535 -46.577 -9.394 1.00 0.00 C ATOM 215 CE2 TYR A 13 4.634 -45.340 -11.079 1.00 0.00 C ATOM 216 CZ TYR A 13 4.539 -45.724 -9.771 1.00 0.00 C ATOM 217 OH TYR A 13 5.486 -45.296 -8.892 1.00 0.00 O ATOM 0 H TYR A 13 3.665 -48.348 -13.748 1.00 0.00 H new ATOM 0 HA TYR A 13 1.350 -49.199 -12.100 1.00 0.00 H new ATOM 0 HB2 TYR A 13 1.915 -46.648 -13.673 1.00 0.00 H new ATOM 0 HB3 TYR A 13 0.720 -46.879 -12.413 1.00 0.00 H new ATOM 0 HD1 TYR A 13 1.856 -47.715 -10.038 1.00 0.00 H new ATOM 0 HD2 TYR A 13 3.883 -45.509 -13.058 1.00 0.00 H new ATOM 0 HE1 TYR A 13 3.439 -46.882 -8.362 1.00 0.00 H new ATOM 0 HE2 TYR A 13 5.411 -44.649 -11.371 1.00 0.00 H new ATOM 0 HH TYR A 13 6.305 -45.068 -9.379 1.00 0.00 H new ATOM 227 N LYS A 14 0.328 -48.279 -15.018 1.00 0.00 N ATOM 228 CA LYS A 14 -0.147 -48.648 -16.361 1.00 0.00 C ATOM 229 C LYS A 14 0.788 -48.100 -17.465 1.00 0.00 C ATOM 230 O LYS A 14 0.364 -47.587 -18.507 1.00 0.00 O ATOM 231 CB LYS A 14 -1.635 -48.258 -16.592 1.00 0.00 C ATOM 232 CG LYS A 14 -2.664 -48.854 -15.598 1.00 0.00 C ATOM 233 CD LYS A 14 -2.825 -50.385 -15.718 1.00 0.00 C ATOM 234 CE LYS A 14 -3.892 -50.912 -14.763 1.00 0.00 C ATOM 235 NZ LYS A 14 -3.969 -52.352 -14.953 1.00 0.00 N ATOM 0 H LYS A 14 0.195 -47.293 -14.792 1.00 0.00 H new ATOM 0 HA LYS A 14 -0.110 -49.735 -16.425 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -1.713 -47.171 -16.555 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -1.916 -48.564 -17.600 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -2.359 -48.608 -14.581 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -3.632 -48.381 -15.763 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -3.092 -50.645 -16.742 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -1.872 -50.870 -15.504 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -3.635 -50.674 -13.731 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -4.855 -50.445 -14.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -4.689 -52.748 -14.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -4.227 -52.559 -15.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -3.045 -52.780 -14.740 1.00 0.00 H new ATOM 249 N TYR A 15 2.093 -48.245 -17.198 1.00 0.00 N ATOM 250 CA TYR A 15 3.201 -47.840 -18.064 1.00 0.00 C ATOM 251 C TYR A 15 3.196 -46.348 -18.465 1.00 0.00 C ATOM 252 O TYR A 15 3.598 -45.482 -17.682 1.00 0.00 O ATOM 253 CB TYR A 15 3.339 -48.822 -19.281 1.00 0.00 C ATOM 254 CG TYR A 15 3.569 -50.269 -18.815 1.00 0.00 C ATOM 255 CD1 TYR A 15 2.506 -51.107 -18.515 1.00 0.00 C ATOM 256 CD2 TYR A 15 4.846 -50.780 -18.660 1.00 0.00 C ATOM 257 CE1 TYR A 15 2.706 -52.400 -18.073 1.00 0.00 C ATOM 258 CE2 TYR A 15 5.055 -52.072 -18.220 1.00 0.00 C ATOM 259 CZ TYR A 15 3.986 -52.879 -17.926 1.00 0.00 C ATOM 260 OH TYR A 15 4.208 -54.145 -17.490 1.00 0.00 O ATOM 0 H TYR A 15 2.417 -48.669 -16.329 1.00 0.00 H new ATOM 0 HA TYR A 15 4.108 -47.926 -17.466 1.00 0.00 H new ATOM 0 HB2 TYR A 15 2.438 -48.774 -19.892 1.00 0.00 H new ATOM 0 HB3 TYR A 15 4.169 -48.506 -19.913 1.00 0.00 H new ATOM 0 HD1 TYR A 15 1.497 -50.740 -18.630 1.00 0.00 H new ATOM 0 HD2 TYR A 15 5.697 -50.155 -18.888 1.00 0.00 H new ATOM 0 HE1 TYR A 15 1.861 -53.032 -17.844 1.00 0.00 H new ATOM 0 HE2 TYR A 15 6.061 -52.447 -18.107 1.00 0.00 H new ATOM 0 HH TYR A 15 5.173 -54.312 -17.448 1.00 0.00 H new ATOM 270 N ALA A 16 2.617 -46.069 -19.640 1.00 0.00 N ATOM 271 CA ALA A 16 2.919 -44.900 -20.470 1.00 0.00 C ATOM 272 C ALA A 16 2.489 -43.533 -19.904 1.00 0.00 C ATOM 273 O ALA A 16 3.309 -42.620 -19.790 1.00 0.00 O ATOM 274 CB ALA A 16 2.297 -45.145 -21.862 1.00 0.00 C ATOM 0 H ALA A 16 1.903 -46.671 -20.050 1.00 0.00 H new ATOM 0 HA ALA A 16 4.005 -44.815 -20.510 1.00 0.00 H new ATOM 0 HB1 ALA A 16 2.503 -44.292 -22.508 1.00 0.00 H new ATOM 0 HB2 ALA A 16 2.729 -46.045 -22.300 1.00 0.00 H new ATOM 0 HB3 ALA A 16 1.219 -45.272 -21.762 1.00 0.00 H new ATOM 280 N MET A 17 1.208 -43.398 -19.539 1.00 0.00 N ATOM 281 CA MET A 17 0.633 -42.143 -19.048 1.00 0.00 C ATOM 282 C MET A 17 1.158 -41.769 -17.645 1.00 0.00 C ATOM 283 O MET A 17 1.363 -40.594 -17.334 1.00 0.00 O ATOM 284 CB MET A 17 -0.913 -42.275 -19.093 1.00 0.00 C ATOM 285 CG MET A 17 -1.672 -40.970 -18.754 1.00 0.00 C ATOM 286 SD MET A 17 -3.471 -41.167 -18.850 1.00 0.00 S ATOM 287 CE MET A 17 -3.786 -40.598 -20.540 1.00 0.00 C ATOM 0 H MET A 17 0.537 -44.165 -19.577 1.00 0.00 H new ATOM 0 HA MET A 17 0.944 -41.319 -19.690 1.00 0.00 H new ATOM 0 HB2 MET A 17 -1.209 -42.606 -20.088 1.00 0.00 H new ATOM 0 HB3 MET A 17 -1.220 -43.053 -18.394 1.00 0.00 H new ATOM 0 HG2 MET A 17 -1.399 -40.645 -17.750 1.00 0.00 H new ATOM 0 HG3 MET A 17 -1.359 -40.183 -19.440 1.00 0.00 H new ATOM 0 HE1 MET A 17 -4.854 -40.659 -20.751 1.00 0.00 H new ATOM 0 HE2 MET A 17 -3.454 -39.565 -20.644 1.00 0.00 H new ATOM 0 HE3 MET A 17 -3.240 -41.227 -21.243 1.00 0.00 H new ATOM 297 N LEU A 18 1.416 -42.777 -16.807 1.00 0.00 N ATOM 298 CA LEU A 18 1.947 -42.604 -15.466 1.00 0.00 C ATOM 299 C LEU A 18 3.460 -42.337 -15.460 1.00 0.00 C ATOM 300 O LEU A 18 3.912 -41.463 -14.719 1.00 0.00 O ATOM 301 CB LEU A 18 1.565 -43.851 -14.649 1.00 0.00 C ATOM 302 CG LEU A 18 0.051 -44.107 -14.391 1.00 0.00 C ATOM 303 CD1 LEU A 18 -0.632 -42.917 -13.709 1.00 0.00 C ATOM 304 CD2 LEU A 18 -0.816 -44.560 -15.573 1.00 0.00 C ATOM 0 H LEU A 18 1.256 -43.754 -17.054 1.00 0.00 H new ATOM 0 HA LEU A 18 1.511 -41.716 -15.009 1.00 0.00 H new ATOM 0 HB2 LEU A 18 1.971 -44.724 -15.159 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.064 -43.785 -13.682 1.00 0.00 H new ATOM 0 HG LEU A 18 0.103 -44.974 -13.732 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.686 -43.144 -13.551 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -0.154 -42.725 -12.748 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -0.542 -42.034 -14.342 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.844 -44.697 -15.238 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -0.787 -43.803 -16.357 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -0.433 -45.502 -15.965 1.00 0.00 H new ATOM 316 N LYS A 19 4.285 -43.069 -16.219 1.00 0.00 N ATOM 317 CA LYS A 19 5.547 -42.505 -16.712 1.00 0.00 C ATOM 318 C LYS A 19 5.510 -41.068 -17.285 1.00 0.00 C ATOM 319 O LYS A 19 6.409 -40.289 -16.964 1.00 0.00 O ATOM 320 CB LYS A 19 6.081 -43.514 -17.788 1.00 0.00 C ATOM 321 CG LYS A 19 7.471 -43.275 -18.444 1.00 0.00 C ATOM 322 CD LYS A 19 7.945 -44.577 -19.142 1.00 0.00 C ATOM 323 CE LYS A 19 9.365 -44.573 -19.738 1.00 0.00 C ATOM 324 NZ LYS A 19 10.366 -44.505 -18.674 1.00 0.00 N ATOM 0 H LYS A 19 4.107 -44.033 -16.500 1.00 0.00 H new ATOM 0 HA LYS A 19 6.200 -42.386 -15.847 1.00 0.00 H new ATOM 0 HB2 LYS A 19 6.104 -44.501 -17.326 1.00 0.00 H new ATOM 0 HB3 LYS A 19 5.345 -43.555 -18.591 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.408 -42.463 -19.169 1.00 0.00 H new ATOM 0 HG3 LYS A 19 8.195 -42.971 -17.687 1.00 0.00 H new ATOM 0 HD2 LYS A 19 7.883 -45.391 -18.419 1.00 0.00 H new ATOM 0 HD3 LYS A 19 7.242 -44.807 -19.943 1.00 0.00 H new ATOM 0 HE2 LYS A 19 9.519 -45.473 -20.333 1.00 0.00 H new ATOM 0 HE3 LYS A 19 9.481 -43.723 -20.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 11.265 -44.900 -19.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 10.508 -43.514 -18.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 10.038 -45.053 -17.853 1.00 0.00 H new ATOM 338 N LYS A 20 4.541 -40.648 -18.109 1.00 0.00 N ATOM 339 CA LYS A 20 4.395 -39.233 -18.480 1.00 0.00 C ATOM 340 C LYS A 20 4.058 -38.310 -17.271 1.00 0.00 C ATOM 341 O LYS A 20 4.513 -37.158 -17.276 1.00 0.00 O ATOM 342 CB LYS A 20 3.351 -39.139 -19.630 1.00 0.00 C ATOM 343 CG LYS A 20 3.024 -37.724 -20.158 1.00 0.00 C ATOM 344 CD LYS A 20 4.200 -37.003 -20.870 1.00 0.00 C ATOM 345 CE LYS A 20 4.174 -35.506 -20.561 1.00 0.00 C ATOM 346 NZ LYS A 20 4.714 -35.310 -19.218 1.00 0.00 N ATOM 0 H LYS A 20 3.848 -41.266 -18.531 1.00 0.00 H new ATOM 0 HA LYS A 20 5.355 -38.856 -18.833 1.00 0.00 H new ATOM 0 HB2 LYS A 20 3.711 -39.739 -20.466 1.00 0.00 H new ATOM 0 HB3 LYS A 20 2.423 -39.596 -19.285 1.00 0.00 H new ATOM 0 HG2 LYS A 20 2.187 -37.796 -20.853 1.00 0.00 H new ATOM 0 HG3 LYS A 20 2.692 -37.108 -19.322 1.00 0.00 H new ATOM 0 HD2 LYS A 20 5.148 -37.431 -20.544 1.00 0.00 H new ATOM 0 HD3 LYS A 20 4.132 -37.160 -21.947 1.00 0.00 H new ATOM 0 HE2 LYS A 20 4.765 -34.956 -21.293 1.00 0.00 H new ATOM 0 HE3 LYS A 20 3.155 -35.123 -20.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 4.181 -34.559 -18.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 4.631 -36.195 -18.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 5.715 -35.036 -19.283 1.00 0.00 H new ATOM 360 N CYS A 21 3.297 -38.750 -16.243 1.00 0.00 N ATOM 361 CA CYS A 21 3.182 -38.052 -14.944 1.00 0.00 C ATOM 362 C CYS A 21 4.526 -37.876 -14.197 1.00 0.00 C ATOM 363 O CYS A 21 4.792 -36.802 -13.641 1.00 0.00 O ATOM 364 CB CYS A 21 2.203 -38.799 -14.014 1.00 0.00 C ATOM 365 SG CYS A 21 0.444 -38.654 -14.422 1.00 0.00 S ATOM 0 H CYS A 21 2.742 -39.605 -16.293 1.00 0.00 H new ATOM 0 HA CYS A 21 2.813 -37.056 -15.189 1.00 0.00 H new ATOM 0 HB2 CYS A 21 2.469 -39.856 -14.015 1.00 0.00 H new ATOM 0 HB3 CYS A 21 2.350 -38.434 -12.998 1.00 0.00 H new ATOM 370 N CYS A 22 5.369 -38.927 -14.188 1.00 0.00 N ATOM 371 CA CYS A 22 6.794 -38.832 -13.826 1.00 0.00 C ATOM 372 C CYS A 22 7.462 -37.688 -14.571 1.00 0.00 C ATOM 373 O CYS A 22 8.064 -36.808 -13.962 1.00 0.00 O ATOM 374 CB CYS A 22 7.502 -40.198 -14.001 1.00 0.00 C ATOM 375 SG CYS A 22 8.875 -40.545 -12.859 1.00 0.00 S ATOM 0 H CYS A 22 5.076 -39.873 -14.434 1.00 0.00 H new ATOM 0 HA CYS A 22 6.882 -38.590 -12.767 1.00 0.00 H new ATOM 0 HB2 CYS A 22 6.757 -40.986 -13.890 1.00 0.00 H new ATOM 0 HB3 CYS A 22 7.881 -40.259 -15.021 1.00 0.00 H new ATOM 380 N TYR A 23 7.309 -37.646 -15.880 1.00 0.00 N ATOM 381 CA TYR A 23 8.013 -36.650 -16.668 1.00 0.00 C ATOM 382 C TYR A 23 7.443 -35.213 -16.538 1.00 0.00 C ATOM 383 O TYR A 23 8.174 -34.241 -16.754 1.00 0.00 O ATOM 384 CB TYR A 23 8.202 -37.275 -18.043 1.00 0.00 C ATOM 385 CG TYR A 23 8.959 -38.638 -17.981 1.00 0.00 C ATOM 386 CD1 TYR A 23 9.533 -39.261 -16.846 1.00 0.00 C ATOM 387 CD2 TYR A 23 9.165 -39.258 -19.198 1.00 0.00 C ATOM 388 CE1 TYR A 23 10.306 -40.397 -16.982 1.00 0.00 C ATOM 389 CE2 TYR A 23 9.939 -40.393 -19.327 1.00 0.00 C ATOM 390 CZ TYR A 23 10.514 -40.954 -18.215 1.00 0.00 C ATOM 391 OH TYR A 23 11.271 -42.076 -18.323 1.00 0.00 O ATOM 0 H TYR A 23 6.714 -38.278 -16.415 1.00 0.00 H new ATOM 0 HA TYR A 23 9.008 -36.417 -16.290 1.00 0.00 H new ATOM 0 HB2 TYR A 23 7.227 -37.425 -18.507 1.00 0.00 H new ATOM 0 HB3 TYR A 23 8.755 -36.584 -18.679 1.00 0.00 H new ATOM 0 HD1 TYR A 23 9.364 -38.843 -15.864 1.00 0.00 H new ATOM 0 HD2 TYR A 23 8.704 -38.839 -20.080 1.00 0.00 H new ATOM 0 HE1 TYR A 23 10.750 -40.850 -16.108 1.00 0.00 H new ATOM 0 HE2 TYR A 23 10.091 -40.838 -20.299 1.00 0.00 H new ATOM 0 HH TYR A 23 11.579 -42.349 -17.434 1.00 0.00 H new ATOM 401 N ASP A 24 6.168 -35.074 -16.117 1.00 0.00 N ATOM 402 CA ASP A 24 5.641 -33.834 -15.513 1.00 0.00 C ATOM 403 C ASP A 24 6.380 -33.436 -14.220 1.00 0.00 C ATOM 404 O ASP A 24 6.644 -32.252 -14.019 1.00 0.00 O ATOM 405 CB ASP A 24 4.114 -33.930 -15.203 1.00 0.00 C ATOM 406 CG ASP A 24 3.244 -34.188 -16.431 1.00 0.00 C ATOM 407 OD1 ASP A 24 3.551 -33.690 -17.520 1.00 0.00 O ATOM 408 OD2 ASP A 24 2.263 -34.909 -16.290 1.00 0.00 O ATOM 0 H ASP A 24 5.475 -35.820 -16.187 1.00 0.00 H new ATOM 0 HA ASP A 24 5.811 -33.064 -16.265 1.00 0.00 H new ATOM 0 HB2 ASP A 24 3.950 -34.730 -14.481 1.00 0.00 H new ATOM 0 HB3 ASP A 24 3.791 -33.002 -14.730 1.00 0.00 H new ATOM 413 N GLY A 25 6.676 -34.402 -13.335 1.00 0.00 N ATOM 414 CA GLY A 25 7.556 -34.190 -12.174 1.00 0.00 C ATOM 415 C GLY A 25 9.014 -33.850 -12.512 1.00 0.00 C ATOM 416 O GLY A 25 9.565 -32.909 -11.937 1.00 0.00 O ATOM 0 H GLY A 25 6.312 -35.352 -13.404 1.00 0.00 H new ATOM 0 HA2 GLY A 25 7.143 -33.384 -11.568 1.00 0.00 H new ATOM 0 HA3 GLY A 25 7.543 -35.090 -11.559 1.00 0.00 H new ATOM 420 N ALA A 26 9.634 -34.609 -13.428 1.00 0.00 N ATOM 421 CA ALA A 26 11.011 -34.383 -13.888 1.00 0.00 C ATOM 422 C ALA A 26 11.228 -33.016 -14.566 1.00 0.00 C ATOM 423 O ALA A 26 12.299 -32.423 -14.411 1.00 0.00 O ATOM 424 CB ALA A 26 11.439 -35.522 -14.833 1.00 0.00 C ATOM 0 H ALA A 26 9.186 -35.408 -13.876 1.00 0.00 H new ATOM 0 HA ALA A 26 11.636 -34.376 -12.995 1.00 0.00 H new ATOM 0 HB1 ALA A 26 12.461 -35.350 -15.171 1.00 0.00 H new ATOM 0 HB2 ALA A 26 11.388 -36.473 -14.303 1.00 0.00 H new ATOM 0 HB3 ALA A 26 10.772 -35.550 -15.694 1.00 0.00 H new ATOM 430 N TYR A 27 10.251 -32.503 -15.333 1.00 0.00 N ATOM 431 CA TYR A 27 10.237 -31.087 -15.706 1.00 0.00 C ATOM 432 C TYR A 27 9.978 -30.192 -14.467 1.00 0.00 C ATOM 433 O TYR A 27 8.838 -29.995 -14.039 1.00 0.00 O ATOM 434 CB TYR A 27 9.187 -30.876 -16.839 1.00 0.00 C ATOM 435 CG TYR A 27 9.066 -29.398 -17.255 1.00 0.00 C ATOM 436 CD1 TYR A 27 10.054 -28.760 -17.988 1.00 0.00 C ATOM 437 CD2 TYR A 27 7.968 -28.642 -16.878 1.00 0.00 C ATOM 438 CE1 TYR A 27 9.951 -27.423 -18.321 1.00 0.00 C ATOM 439 CE2 TYR A 27 7.857 -27.306 -17.207 1.00 0.00 C ATOM 440 CZ TYR A 27 8.854 -26.698 -17.930 1.00 0.00 C ATOM 441 OH TYR A 27 8.768 -25.385 -18.263 1.00 0.00 O ATOM 0 H TYR A 27 9.470 -33.045 -15.702 1.00 0.00 H new ATOM 0 HA TYR A 27 11.212 -30.788 -16.090 1.00 0.00 H new ATOM 0 HB2 TYR A 27 9.467 -31.474 -17.707 1.00 0.00 H new ATOM 0 HB3 TYR A 27 8.215 -31.237 -16.503 1.00 0.00 H new ATOM 0 HD1 TYR A 27 10.922 -29.319 -18.305 1.00 0.00 H new ATOM 0 HD2 TYR A 27 7.177 -29.111 -16.311 1.00 0.00 H new ATOM 0 HE1 TYR A 27 10.736 -26.948 -18.890 1.00 0.00 H new ATOM 0 HE2 TYR A 27 6.990 -26.741 -16.897 1.00 0.00 H new ATOM 0 HH TYR A 27 7.931 -25.013 -17.914 1.00 0.00 H new ATOM 451 N ARG A 28 11.047 -29.717 -13.813 1.00 0.00 N ATOM 452 CA ARG A 28 10.934 -28.682 -12.781 1.00 0.00 C ATOM 453 C ARG A 28 11.869 -27.473 -13.013 1.00 0.00 C ATOM 454 O ARG A 28 13.064 -27.632 -13.280 1.00 0.00 O ATOM 455 CB ARG A 28 11.249 -29.340 -11.414 1.00 0.00 C ATOM 456 CG ARG A 28 10.862 -28.460 -10.204 1.00 0.00 C ATOM 457 CD ARG A 28 11.325 -29.067 -8.887 1.00 0.00 C ATOM 458 NE ARG A 28 10.996 -28.119 -7.824 1.00 0.00 N ATOM 459 CZ ARG A 28 11.455 -28.144 -6.608 1.00 0.00 C ATOM 460 NH1 ARG A 28 12.273 -29.021 -6.166 1.00 0.00 N ATOM 461 NH2 ARG A 28 11.050 -27.225 -5.829 1.00 0.00 N ATOM 0 H ARG A 28 12.001 -30.035 -13.982 1.00 0.00 H new ATOM 0 HA ARG A 28 9.920 -28.283 -12.813 1.00 0.00 H new ATOM 0 HB2 ARG A 28 10.720 -30.290 -11.346 1.00 0.00 H new ATOM 0 HB3 ARG A 28 12.315 -29.564 -11.364 1.00 0.00 H new ATOM 0 HG2 ARG A 28 11.301 -27.469 -10.321 1.00 0.00 H new ATOM 0 HG3 ARG A 28 9.780 -28.329 -10.182 1.00 0.00 H new ATOM 0 HD2 ARG A 28 10.833 -30.024 -8.712 1.00 0.00 H new ATOM 0 HD3 ARG A 28 12.398 -29.259 -8.910 1.00 0.00 H new ATOM 0 HE ARG A 28 10.346 -27.368 -8.058 1.00 0.00 H new ATOM 0 HH11 ARG A 28 12.607 -29.763 -6.781 1.00 0.00 H new ATOM 0 HH12 ARG A 28 12.592 -28.979 -5.198 1.00 0.00 H new ATOM 0 HH21 ARG A 28 10.398 -26.518 -6.170 1.00 0.00 H new ATOM 0 HH22 ARG A 28 11.377 -27.194 -4.863 1.00 0.00 H new ATOM 475 N ASN A 29 11.334 -26.244 -12.935 1.00 0.00 N ATOM 476 CA ASN A 29 12.163 -25.043 -12.755 1.00 0.00 C ATOM 477 C ASN A 29 12.214 -24.564 -11.280 1.00 0.00 C ATOM 478 O ASN A 29 11.459 -25.028 -10.421 1.00 0.00 O ATOM 479 CB ASN A 29 11.736 -23.905 -13.734 1.00 0.00 C ATOM 480 CG ASN A 29 10.343 -23.345 -13.444 1.00 0.00 C ATOM 481 OD1 ASN A 29 10.120 -22.587 -12.506 1.00 0.00 O ATOM 482 ND2 ASN A 29 9.363 -23.703 -14.249 1.00 0.00 N ATOM 0 H ASN A 29 10.333 -26.057 -12.994 1.00 0.00 H new ATOM 0 HA ASN A 29 13.185 -25.324 -13.010 1.00 0.00 H new ATOM 0 HB2 ASN A 29 12.464 -23.096 -13.678 1.00 0.00 H new ATOM 0 HB3 ASN A 29 11.761 -24.286 -14.755 1.00 0.00 H new ATOM 0 HD21 ASN A 29 8.419 -23.350 -14.092 1.00 0.00 H new ATOM 0 HD22 ASN A 29 9.548 -24.333 -15.029 1.00 0.00 H new ATOM 489 N ASP A 30 13.085 -23.582 -11.002 1.00 0.00 N ATOM 490 CA ASP A 30 13.382 -23.065 -9.656 1.00 0.00 C ATOM 491 C ASP A 30 12.185 -22.481 -8.872 1.00 0.00 C ATOM 492 O ASP A 30 12.223 -22.445 -7.642 1.00 0.00 O ATOM 493 CB ASP A 30 14.479 -21.965 -9.789 1.00 0.00 C ATOM 494 CG ASP A 30 15.717 -22.478 -10.519 1.00 0.00 C ATOM 495 OD1 ASP A 30 15.683 -22.542 -11.745 1.00 0.00 O ATOM 496 OD2 ASP A 30 16.699 -22.823 -9.861 1.00 0.00 O ATOM 0 H ASP A 30 13.620 -23.110 -11.731 1.00 0.00 H new ATOM 0 HA ASP A 30 13.704 -23.929 -9.075 1.00 0.00 H new ATOM 0 HB2 ASP A 30 14.071 -21.109 -10.326 1.00 0.00 H new ATOM 0 HB3 ASP A 30 14.763 -21.614 -8.797 1.00 0.00 H new ATOM 501 N ASP A 31 11.129 -22.015 -9.551 1.00 0.00 N ATOM 502 CA ASP A 31 9.940 -21.447 -8.907 1.00 0.00 C ATOM 503 C ASP A 31 8.902 -22.503 -8.466 1.00 0.00 C ATOM 504 O ASP A 31 8.144 -22.272 -7.522 1.00 0.00 O ATOM 505 CB ASP A 31 9.300 -20.433 -9.894 1.00 0.00 C ATOM 506 CG ASP A 31 10.259 -19.290 -10.223 1.00 0.00 C ATOM 507 OD1 ASP A 31 11.082 -19.451 -11.123 1.00 0.00 O ATOM 508 OD2 ASP A 31 10.165 -18.251 -9.577 1.00 0.00 O ATOM 0 H ASP A 31 11.076 -22.022 -10.570 1.00 0.00 H new ATOM 0 HA ASP A 31 10.259 -20.959 -7.986 1.00 0.00 H new ATOM 0 HB2 ASP A 31 9.016 -20.947 -10.812 1.00 0.00 H new ATOM 0 HB3 ASP A 31 8.386 -20.029 -9.460 1.00 0.00 H new ATOM 513 N GLU A 32 8.853 -23.655 -9.146 1.00 0.00 N ATOM 514 CA GLU A 32 7.891 -24.731 -8.887 1.00 0.00 C ATOM 515 C GLU A 32 8.126 -25.510 -7.572 1.00 0.00 C ATOM 516 O GLU A 32 9.257 -25.892 -7.250 1.00 0.00 O ATOM 517 CB GLU A 32 7.937 -25.701 -10.088 1.00 0.00 C ATOM 518 CG GLU A 32 7.354 -25.082 -11.393 1.00 0.00 C ATOM 519 CD GLU A 32 7.455 -26.041 -12.579 1.00 0.00 C ATOM 520 OE1 GLU A 32 8.525 -26.121 -13.188 1.00 0.00 O ATOM 521 OE2 GLU A 32 6.463 -26.699 -12.889 1.00 0.00 O ATOM 0 H GLU A 32 9.496 -23.869 -9.908 1.00 0.00 H new ATOM 0 HA GLU A 32 6.913 -24.266 -8.766 1.00 0.00 H new ATOM 0 HB2 GLU A 32 8.969 -26.002 -10.265 1.00 0.00 H new ATOM 0 HB3 GLU A 32 7.379 -26.604 -9.840 1.00 0.00 H new ATOM 0 HG2 GLU A 32 6.310 -24.814 -11.232 1.00 0.00 H new ATOM 0 HG3 GLU A 32 7.887 -24.160 -11.626 1.00 0.00 H new ATOM 528 N THR A 33 7.065 -25.771 -6.794 1.00 0.00 N ATOM 529 CA THR A 33 7.140 -26.626 -5.597 1.00 0.00 C ATOM 530 C THR A 33 6.289 -27.900 -5.782 1.00 0.00 C ATOM 531 O THR A 33 5.104 -27.810 -6.115 1.00 0.00 O ATOM 532 CB THR A 33 6.725 -25.831 -4.330 1.00 0.00 C ATOM 533 OG1 THR A 33 7.641 -24.768 -4.136 1.00 0.00 O ATOM 534 CG2 THR A 33 6.826 -26.602 -3.015 1.00 0.00 C ATOM 0 H THR A 33 6.133 -25.397 -6.975 1.00 0.00 H new ATOM 0 HA THR A 33 8.174 -26.943 -5.459 1.00 0.00 H new ATOM 0 HB THR A 33 5.690 -25.550 -4.522 1.00 0.00 H new ATOM 0 HG1 THR A 33 7.387 -24.258 -3.339 1.00 0.00 H new ATOM 0 HG21 THR A 33 6.514 -25.959 -2.192 1.00 0.00 H new ATOM 0 HG22 THR A 33 6.179 -27.478 -3.056 1.00 0.00 H new ATOM 0 HG23 THR A 33 7.857 -26.919 -2.857 1.00 0.00 H new ATOM 542 N CYS A 34 6.866 -29.080 -5.496 1.00 0.00 N ATOM 543 CA CYS A 34 6.385 -30.394 -5.951 1.00 0.00 C ATOM 544 C CYS A 34 4.922 -30.724 -5.602 1.00 0.00 C ATOM 545 O CYS A 34 4.098 -30.951 -6.488 1.00 0.00 O ATOM 546 CB CYS A 34 7.304 -31.506 -5.366 1.00 0.00 C ATOM 547 SG CYS A 34 9.011 -31.519 -5.974 1.00 0.00 S ATOM 0 H CYS A 34 7.707 -29.146 -4.923 1.00 0.00 H new ATOM 0 HA CYS A 34 6.424 -30.351 -7.039 1.00 0.00 H new ATOM 0 HB2 CYS A 34 7.325 -31.400 -4.281 1.00 0.00 H new ATOM 0 HB3 CYS A 34 6.854 -32.475 -5.583 1.00 0.00 H new ATOM 552 N GLU A 35 4.594 -30.727 -4.308 1.00 0.00 N ATOM 553 CA GLU A 35 3.251 -31.055 -3.815 1.00 0.00 C ATOM 554 C GLU A 35 2.231 -29.903 -3.935 1.00 0.00 C ATOM 555 O GLU A 35 1.032 -30.147 -3.826 1.00 0.00 O ATOM 556 CB GLU A 35 3.273 -31.698 -2.389 1.00 0.00 C ATOM 557 CG GLU A 35 4.120 -30.996 -1.274 1.00 0.00 C ATOM 558 CD GLU A 35 5.625 -31.181 -1.482 1.00 0.00 C ATOM 559 OE1 GLU A 35 6.152 -32.256 -1.183 1.00 0.00 O ATOM 560 OE2 GLU A 35 6.244 -30.272 -2.036 1.00 0.00 O ATOM 0 H GLU A 35 5.256 -30.501 -3.566 1.00 0.00 H new ATOM 0 HA GLU A 35 2.883 -31.821 -4.498 1.00 0.00 H new ATOM 0 HB2 GLU A 35 2.244 -31.760 -2.036 1.00 0.00 H new ATOM 0 HB3 GLU A 35 3.638 -32.720 -2.490 1.00 0.00 H new ATOM 0 HG2 GLU A 35 3.886 -29.932 -1.260 1.00 0.00 H new ATOM 0 HG3 GLU A 35 3.838 -31.397 -0.301 1.00 0.00 H new ATOM 567 N GLU A 36 2.667 -28.656 -4.166 1.00 0.00 N ATOM 568 CA GLU A 36 1.795 -27.544 -4.565 1.00 0.00 C ATOM 569 C GLU A 36 1.236 -27.777 -5.983 1.00 0.00 C ATOM 570 O GLU A 36 0.017 -27.880 -6.198 1.00 0.00 O ATOM 571 CB GLU A 36 2.630 -26.228 -4.413 1.00 0.00 C ATOM 572 CG GLU A 36 2.151 -24.920 -5.141 1.00 0.00 C ATOM 573 CD GLU A 36 2.723 -24.746 -6.560 1.00 0.00 C ATOM 574 OE1 GLU A 36 3.943 -24.795 -6.734 1.00 0.00 O ATOM 575 OE2 GLU A 36 1.929 -24.566 -7.487 1.00 0.00 O ATOM 0 H GLU A 36 3.648 -28.389 -4.080 1.00 0.00 H new ATOM 0 HA GLU A 36 0.913 -27.466 -3.929 1.00 0.00 H new ATOM 0 HB2 GLU A 36 2.696 -26.004 -3.348 1.00 0.00 H new ATOM 0 HB3 GLU A 36 3.642 -26.442 -4.757 1.00 0.00 H new ATOM 0 HG2 GLU A 36 1.062 -24.926 -5.198 1.00 0.00 H new ATOM 0 HG3 GLU A 36 2.434 -24.057 -4.538 1.00 0.00 H new ATOM 582 N ARG A 37 2.165 -27.924 -6.941 1.00 0.00 N ATOM 583 CA ARG A 37 1.789 -28.224 -8.315 1.00 0.00 C ATOM 584 C ARG A 37 1.170 -29.621 -8.445 1.00 0.00 C ATOM 585 O ARG A 37 0.222 -29.751 -9.212 1.00 0.00 O ATOM 586 CB ARG A 37 2.931 -27.968 -9.323 1.00 0.00 C ATOM 587 CG ARG A 37 4.181 -28.846 -9.167 1.00 0.00 C ATOM 588 CD ARG A 37 5.143 -28.596 -10.315 1.00 0.00 C ATOM 589 NE ARG A 37 6.280 -29.497 -10.156 1.00 0.00 N ATOM 590 CZ ARG A 37 7.074 -29.873 -11.119 1.00 0.00 C ATOM 591 NH1 ARG A 37 7.118 -29.332 -12.276 1.00 0.00 N ATOM 592 NH2 ARG A 37 7.893 -30.817 -10.879 1.00 0.00 N ATOM 0 H ARG A 37 3.169 -27.839 -6.784 1.00 0.00 H new ATOM 0 HA ARG A 37 1.007 -27.515 -8.587 1.00 0.00 H new ATOM 0 HB2 ARG A 37 2.537 -28.108 -10.330 1.00 0.00 H new ATOM 0 HB3 ARG A 37 3.233 -26.924 -9.241 1.00 0.00 H new ATOM 0 HG2 ARG A 37 4.671 -28.628 -8.218 1.00 0.00 H new ATOM 0 HG3 ARG A 37 3.895 -29.898 -9.145 1.00 0.00 H new ATOM 0 HD2 ARG A 37 4.649 -28.771 -11.271 1.00 0.00 H new ATOM 0 HD3 ARG A 37 5.476 -27.558 -10.314 1.00 0.00 H new ATOM 0 HE ARG A 37 6.467 -29.860 -9.221 1.00 0.00 H new ATOM 0 HH11 ARG A 37 6.503 -28.549 -12.496 1.00 0.00 H new ATOM 0 HH12 ARG A 37 7.768 -29.683 -12.979 1.00 0.00 H new ATOM 0 HH21 ARG A 37 7.913 -31.253 -9.957 1.00 0.00 H new ATOM 0 HH22 ARG A 37 8.530 -31.138 -11.609 1.00 0.00 H new ATOM 606 N ALA A 38 1.613 -30.669 -7.737 1.00 0.00 N ATOM 607 CA ALA A 38 0.916 -31.954 -7.743 1.00 0.00 C ATOM 608 C ALA A 38 -0.184 -32.153 -6.669 1.00 0.00 C ATOM 609 O ALA A 38 -0.652 -33.270 -6.447 1.00 0.00 O ATOM 610 CB ALA A 38 1.953 -33.061 -7.861 1.00 0.00 C ATOM 0 H ALA A 38 2.450 -30.648 -7.155 1.00 0.00 H new ATOM 0 HA ALA A 38 0.277 -31.987 -8.625 1.00 0.00 H new ATOM 0 HB1 ALA A 38 1.452 -34.029 -7.867 1.00 0.00 H new ATOM 0 HB2 ALA A 38 2.514 -32.937 -8.787 1.00 0.00 H new ATOM 0 HB3 ALA A 38 2.636 -33.011 -7.013 1.00 0.00 H new ATOM 616 N ALA A 39 -0.609 -31.109 -5.943 1.00 0.00 N ATOM 617 CA ALA A 39 -2.018 -30.957 -5.570 1.00 0.00 C ATOM 618 C ALA A 39 -2.888 -30.543 -6.776 1.00 0.00 C ATOM 619 O ALA A 39 -4.006 -31.036 -6.934 1.00 0.00 O ATOM 620 CB ALA A 39 -2.150 -29.932 -4.426 1.00 0.00 C ATOM 0 H ALA A 39 -0.000 -30.363 -5.606 1.00 0.00 H new ATOM 0 HA ALA A 39 -2.383 -31.925 -5.227 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -3.200 -29.824 -4.154 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -1.584 -30.278 -3.561 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -1.759 -28.969 -4.754 1.00 0.00 H new ATOM 626 N ARG A 40 -2.386 -29.618 -7.612 1.00 0.00 N ATOM 627 CA ARG A 40 -3.037 -29.248 -8.880 1.00 0.00 C ATOM 628 C ARG A 40 -2.990 -30.363 -9.965 1.00 0.00 C ATOM 629 O ARG A 40 -3.967 -30.551 -10.693 1.00 0.00 O ATOM 630 CB ARG A 40 -2.398 -27.904 -9.313 1.00 0.00 C ATOM 631 CG ARG A 40 -2.956 -27.223 -10.582 1.00 0.00 C ATOM 632 CD ARG A 40 -2.470 -25.761 -10.739 1.00 0.00 C ATOM 633 NE ARG A 40 -1.018 -25.690 -10.955 1.00 0.00 N ATOM 634 CZ ARG A 40 -0.124 -25.267 -10.101 1.00 0.00 C ATOM 635 NH1 ARG A 40 -0.334 -25.042 -8.861 1.00 0.00 N ATOM 636 NH2 ARG A 40 1.080 -25.119 -10.484 1.00 0.00 N ATOM 0 H ARG A 40 -1.522 -29.108 -7.429 1.00 0.00 H new ATOM 0 HA ARG A 40 -4.111 -29.126 -8.740 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -2.497 -27.203 -8.484 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -1.332 -28.072 -9.463 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -2.657 -27.797 -11.459 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -4.045 -27.238 -10.548 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -2.986 -25.294 -11.578 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -2.733 -25.192 -9.847 1.00 0.00 H new ATOM 0 HE ARG A 40 -0.673 -26.002 -11.863 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -1.262 -25.192 -8.465 1.00 0.00 H new ATOM 0 HH12 ARG A 40 0.426 -24.712 -8.267 1.00 0.00 H new ATOM 0 HH21 ARG A 40 1.338 -25.330 -11.448 1.00 0.00 H new ATOM 0 HH22 ARG A 40 1.787 -24.789 -9.827 1.00 0.00 H new ATOM 650 N ILE A 41 -1.884 -31.107 -10.148 1.00 0.00 N ATOM 651 CA ILE A 41 -1.855 -32.408 -10.834 1.00 0.00 C ATOM 652 C ILE A 41 -2.490 -33.529 -9.978 1.00 0.00 C ATOM 653 O ILE A 41 -1.901 -34.336 -9.258 1.00 0.00 O ATOM 654 CB ILE A 41 -0.468 -32.796 -11.430 1.00 0.00 C ATOM 655 CG1 ILE A 41 0.035 -31.761 -12.462 1.00 0.00 C ATOM 656 CG2 ILE A 41 -0.504 -34.126 -12.136 1.00 0.00 C ATOM 657 CD1 ILE A 41 1.149 -30.980 -11.821 1.00 0.00 C ATOM 0 H ILE A 41 -0.966 -30.812 -9.815 1.00 0.00 H new ATOM 0 HA ILE A 41 -2.488 -32.285 -11.712 1.00 0.00 H new ATOM 0 HB ILE A 41 0.202 -32.836 -10.571 1.00 0.00 H new ATOM 0 HG12 ILE A 41 0.388 -32.261 -13.364 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -0.775 -31.096 -12.762 1.00 0.00 H new ATOM 0 HG21 ILE A 41 0.485 -34.353 -12.534 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -0.799 -34.904 -11.432 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -1.224 -34.085 -12.953 1.00 0.00 H new ATOM 0 HD11 ILE A 41 1.526 -30.239 -12.526 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.774 -30.476 -10.930 1.00 0.00 H new ATOM 0 HD13 ILE A 41 1.955 -31.658 -11.541 1.00 0.00 H new ATOM 669 N LYS A 42 -3.798 -33.481 -10.169 1.00 0.00 N ATOM 670 CA LYS A 42 -4.802 -34.291 -9.474 1.00 0.00 C ATOM 671 C LYS A 42 -5.331 -35.510 -10.268 1.00 0.00 C ATOM 672 O LYS A 42 -6.382 -36.062 -9.933 1.00 0.00 O ATOM 673 CB LYS A 42 -5.950 -33.349 -9.001 1.00 0.00 C ATOM 674 CG LYS A 42 -6.686 -32.589 -10.132 1.00 0.00 C ATOM 675 CD LYS A 42 -7.808 -31.697 -9.562 1.00 0.00 C ATOM 676 CE LYS A 42 -8.541 -30.873 -10.627 1.00 0.00 C ATOM 677 NZ LYS A 42 -9.325 -31.764 -11.472 1.00 0.00 N ATOM 0 H LYS A 42 -4.217 -32.845 -10.847 1.00 0.00 H new ATOM 0 HA LYS A 42 -4.310 -34.754 -8.618 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -6.679 -33.941 -8.448 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -5.537 -32.620 -8.304 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -5.975 -31.975 -10.685 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -7.108 -33.303 -10.839 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -8.530 -32.325 -9.041 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -7.381 -31.020 -8.822 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -9.191 -30.139 -10.151 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -7.823 -30.318 -11.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -9.902 -31.201 -12.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -8.686 -32.381 -12.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -9.948 -32.347 -10.878 1.00 0.00 H new ATOM 691 N ILE A 43 -4.603 -35.966 -11.301 1.00 0.00 N ATOM 692 CA ILE A 43 -5.069 -36.991 -12.251 1.00 0.00 C ATOM 693 C ILE A 43 -5.268 -38.384 -11.607 1.00 0.00 C ATOM 694 O ILE A 43 -6.260 -39.056 -11.902 1.00 0.00 O ATOM 695 CB ILE A 43 -4.117 -37.016 -13.503 1.00 0.00 C ATOM 696 CG1 ILE A 43 -4.131 -35.634 -14.227 1.00 0.00 C ATOM 697 CG2 ILE A 43 -4.490 -38.137 -14.515 1.00 0.00 C ATOM 698 CD1 ILE A 43 -2.997 -35.431 -15.259 1.00 0.00 C ATOM 0 H ILE A 43 -3.662 -35.629 -11.503 1.00 0.00 H new ATOM 0 HA ILE A 43 -6.069 -36.713 -12.585 1.00 0.00 H new ATOM 0 HB ILE A 43 -3.115 -37.228 -13.129 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -5.089 -35.514 -14.733 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -4.066 -34.846 -13.477 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -3.801 -38.109 -15.359 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -4.422 -39.108 -14.024 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -5.508 -37.981 -14.872 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -3.088 -34.443 -15.710 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -2.032 -35.514 -14.760 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -3.071 -36.193 -16.035 1.00 0.00 H new ATOM 710 N GLY A 44 -4.370 -38.835 -10.718 1.00 0.00 N ATOM 711 CA GLY A 44 -4.558 -40.098 -9.988 1.00 0.00 C ATOM 712 C GLY A 44 -3.502 -40.399 -8.902 1.00 0.00 C ATOM 713 O GLY A 44 -2.406 -39.836 -8.997 1.00 0.00 O ATOM 0 H GLY A 44 -3.506 -38.344 -10.487 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -5.542 -40.084 -9.520 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -4.559 -40.917 -10.707 1.00 0.00 H new ATOM 717 N PRO A 45 -3.743 -41.267 -7.882 1.00 0.00 N ATOM 718 CA PRO A 45 -2.763 -41.658 -6.840 1.00 0.00 C ATOM 719 C PRO A 45 -1.389 -42.143 -7.349 1.00 0.00 C ATOM 720 O PRO A 45 -0.339 -41.713 -6.860 1.00 0.00 O ATOM 721 CB PRO A 45 -3.485 -42.783 -6.077 1.00 0.00 C ATOM 722 CG PRO A 45 -4.929 -42.346 -6.159 1.00 0.00 C ATOM 723 CD PRO A 45 -5.048 -41.884 -7.608 1.00 0.00 C ATOM 0 HA PRO A 45 -2.496 -40.787 -6.242 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -3.327 -43.757 -6.541 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -3.141 -42.862 -5.046 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -5.614 -43.163 -5.935 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -5.151 -41.543 -5.457 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -5.246 -42.719 -8.280 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -5.863 -41.172 -7.736 1.00 0.00 H new ATOM 731 N LYS A 46 -1.411 -43.026 -8.357 1.00 0.00 N ATOM 732 CA LYS A 46 -0.211 -43.523 -9.036 1.00 0.00 C ATOM 733 C LYS A 46 0.512 -42.435 -9.859 1.00 0.00 C ATOM 734 O LYS A 46 1.735 -42.486 -10.017 1.00 0.00 O ATOM 735 CB LYS A 46 -0.591 -44.741 -9.918 1.00 0.00 C ATOM 736 CG LYS A 46 -1.143 -45.928 -9.084 1.00 0.00 C ATOM 737 CD LYS A 46 -1.377 -47.234 -9.879 1.00 0.00 C ATOM 738 CE LYS A 46 -2.475 -47.150 -10.940 1.00 0.00 C ATOM 739 NZ LYS A 46 -2.637 -48.483 -11.505 1.00 0.00 N ATOM 0 H LYS A 46 -2.276 -43.419 -8.727 1.00 0.00 H new ATOM 0 HA LYS A 46 0.502 -43.833 -8.272 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -1.339 -44.436 -10.650 1.00 0.00 H new ATOM 0 HB3 LYS A 46 0.286 -45.070 -10.476 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -0.447 -46.135 -8.271 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -2.085 -45.625 -8.628 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -0.444 -47.520 -10.364 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -1.629 -48.030 -9.178 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -3.410 -46.804 -10.499 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -2.205 -46.434 -11.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -3.379 -48.463 -12.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -1.740 -48.790 -11.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -2.908 -49.148 -10.753 1.00 0.00 H new ATOM 753 N CYS A 47 -0.242 -41.437 -10.352 1.00 0.00 N ATOM 754 CA CYS A 47 0.296 -40.261 -11.037 1.00 0.00 C ATOM 755 C CYS A 47 1.034 -39.343 -10.050 1.00 0.00 C ATOM 756 O CYS A 47 2.199 -39.050 -10.318 1.00 0.00 O ATOM 757 CB CYS A 47 -0.844 -39.526 -11.794 1.00 0.00 C ATOM 758 SG CYS A 47 -0.372 -38.019 -12.687 1.00 0.00 S ATOM 0 H CYS A 47 -1.260 -41.430 -10.282 1.00 0.00 H new ATOM 0 HA CYS A 47 1.033 -40.577 -11.776 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -1.286 -40.222 -12.507 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -1.622 -39.269 -11.075 1.00 0.00 H new ATOM 763 N VAL A 48 0.415 -38.890 -8.937 1.00 0.00 N ATOM 764 CA VAL A 48 1.127 -38.231 -7.834 1.00 0.00 C ATOM 765 C VAL A 48 2.365 -38.989 -7.326 1.00 0.00 C ATOM 766 O VAL A 48 3.388 -38.357 -7.054 1.00 0.00 O ATOM 767 CB VAL A 48 0.230 -37.916 -6.588 1.00 0.00 C ATOM 768 CG1 VAL A 48 0.470 -36.479 -6.194 1.00 0.00 C ATOM 769 CG2 VAL A 48 -1.273 -38.056 -6.757 1.00 0.00 C ATOM 0 H VAL A 48 -0.590 -38.974 -8.784 1.00 0.00 H new ATOM 0 HA VAL A 48 1.444 -37.300 -8.305 1.00 0.00 H new ATOM 0 HB VAL A 48 0.524 -38.666 -5.854 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -0.143 -36.232 -5.327 1.00 0.00 H new ATOM 0 HG12 VAL A 48 1.522 -36.341 -5.945 1.00 0.00 H new ATOM 0 HG13 VAL A 48 0.204 -35.825 -7.024 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -1.769 -37.808 -5.819 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -1.616 -37.378 -7.539 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -1.514 -39.082 -7.035 1.00 0.00 H new ATOM 779 N LYS A 49 2.283 -40.321 -7.176 1.00 0.00 N ATOM 780 CA LYS A 49 3.462 -41.134 -6.839 1.00 0.00 C ATOM 781 C LYS A 49 4.575 -41.096 -7.918 1.00 0.00 C ATOM 782 O LYS A 49 5.715 -40.791 -7.550 1.00 0.00 O ATOM 783 CB LYS A 49 3.077 -42.590 -6.490 1.00 0.00 C ATOM 784 CG LYS A 49 4.263 -43.309 -5.799 1.00 0.00 C ATOM 785 CD LYS A 49 4.102 -44.834 -5.765 1.00 0.00 C ATOM 786 CE LYS A 49 5.422 -45.559 -5.465 1.00 0.00 C ATOM 787 NZ LYS A 49 6.373 -45.321 -6.554 1.00 0.00 N ATOM 0 H LYS A 49 1.420 -40.854 -7.282 1.00 0.00 H new ATOM 0 HA LYS A 49 3.886 -40.669 -5.949 1.00 0.00 H new ATOM 0 HB2 LYS A 49 2.207 -42.596 -5.833 1.00 0.00 H new ATOM 0 HB3 LYS A 49 2.796 -43.126 -7.396 1.00 0.00 H new ATOM 0 HG2 LYS A 49 5.187 -43.058 -6.321 1.00 0.00 H new ATOM 0 HG3 LYS A 49 4.362 -42.937 -4.779 1.00 0.00 H new ATOM 0 HD2 LYS A 49 3.364 -45.101 -5.008 1.00 0.00 H new ATOM 0 HD3 LYS A 49 3.713 -45.176 -6.724 1.00 0.00 H new ATOM 0 HE2 LYS A 49 5.837 -45.204 -4.522 1.00 0.00 H new ATOM 0 HE3 LYS A 49 5.244 -46.628 -5.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 7.149 -46.011 -6.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 5.887 -45.424 -7.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 6.759 -44.359 -6.474 1.00 0.00 H new ATOM 801 N ALA A 50 4.304 -41.371 -9.213 1.00 0.00 N ATOM 802 CA ALA A 50 5.290 -41.212 -10.302 1.00 0.00 C ATOM 803 C ALA A 50 5.863 -39.776 -10.331 1.00 0.00 C ATOM 804 O ALA A 50 7.083 -39.592 -10.385 1.00 0.00 O ATOM 805 CB ALA A 50 4.643 -41.609 -11.663 1.00 0.00 C ATOM 0 H ALA A 50 3.396 -41.709 -9.531 1.00 0.00 H new ATOM 0 HA ALA A 50 6.131 -41.881 -10.119 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.375 -41.490 -12.462 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.317 -42.648 -11.622 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.784 -40.967 -11.859 1.00 0.00 H new ATOM 811 N PHE A 51 4.973 -38.779 -10.186 1.00 0.00 N ATOM 812 CA PHE A 51 5.322 -37.364 -10.038 1.00 0.00 C ATOM 813 C PHE A 51 6.294 -37.123 -8.867 1.00 0.00 C ATOM 814 O PHE A 51 7.345 -36.529 -9.091 1.00 0.00 O ATOM 815 CB PHE A 51 4.001 -36.579 -9.795 1.00 0.00 C ATOM 816 CG PHE A 51 4.090 -35.094 -10.148 1.00 0.00 C ATOM 817 CD1 PHE A 51 4.883 -34.204 -9.441 1.00 0.00 C ATOM 818 CD2 PHE A 51 3.440 -34.616 -11.268 1.00 0.00 C ATOM 819 CE1 PHE A 51 5.048 -32.902 -9.861 1.00 0.00 C ATOM 820 CE2 PHE A 51 3.601 -33.329 -11.693 1.00 0.00 C ATOM 821 CZ PHE A 51 4.415 -32.463 -11.000 1.00 0.00 C ATOM 0 H PHE A 51 3.967 -38.944 -10.169 1.00 0.00 H new ATOM 0 HA PHE A 51 5.828 -37.026 -10.942 1.00 0.00 H new ATOM 0 HB2 PHE A 51 3.205 -37.035 -10.383 1.00 0.00 H new ATOM 0 HB3 PHE A 51 3.719 -36.677 -8.747 1.00 0.00 H new ATOM 0 HD1 PHE A 51 5.382 -34.538 -8.543 1.00 0.00 H new ATOM 0 HD2 PHE A 51 2.788 -35.276 -11.821 1.00 0.00 H new ATOM 0 HE1 PHE A 51 5.674 -32.227 -9.296 1.00 0.00 H new ATOM 0 HE2 PHE A 51 3.086 -32.988 -12.579 1.00 0.00 H new ATOM 0 HZ PHE A 51 4.555 -31.450 -11.347 1.00 0.00 H new ATOM 831 N LYS A 52 5.972 -37.553 -7.636 1.00 0.00 N ATOM 832 CA LYS A 52 6.839 -37.389 -6.465 1.00 0.00 C ATOM 833 C LYS A 52 8.184 -38.152 -6.571 1.00 0.00 C ATOM 834 O LYS A 52 9.209 -37.592 -6.173 1.00 0.00 O ATOM 835 CB LYS A 52 6.020 -37.747 -5.188 1.00 0.00 C ATOM 836 CG LYS A 52 6.760 -37.762 -3.823 1.00 0.00 C ATOM 837 CD LYS A 52 7.418 -36.441 -3.350 1.00 0.00 C ATOM 838 CE LYS A 52 6.459 -35.364 -2.850 1.00 0.00 C ATOM 839 NZ LYS A 52 7.294 -34.311 -2.284 1.00 0.00 N ATOM 0 H LYS A 52 5.094 -38.028 -7.427 1.00 0.00 H new ATOM 0 HA LYS A 52 7.150 -36.346 -6.405 1.00 0.00 H new ATOM 0 HB2 LYS A 52 5.195 -37.039 -5.112 1.00 0.00 H new ATOM 0 HB3 LYS A 52 5.581 -38.733 -5.340 1.00 0.00 H new ATOM 0 HG2 LYS A 52 6.049 -38.076 -3.059 1.00 0.00 H new ATOM 0 HG3 LYS A 52 7.536 -38.526 -3.870 1.00 0.00 H new ATOM 0 HD2 LYS A 52 8.122 -36.673 -2.551 1.00 0.00 H new ATOM 0 HD3 LYS A 52 7.998 -36.030 -4.176 1.00 0.00 H new ATOM 0 HE2 LYS A 52 5.846 -34.979 -3.665 1.00 0.00 H new ATOM 0 HE3 LYS A 52 5.777 -35.766 -2.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 6.744 -33.768 -1.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 8.120 -34.736 -1.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 7.614 -33.676 -3.043 1.00 0.00 H new ATOM 853 N ASP A 53 8.228 -39.389 -7.106 1.00 0.00 N ATOM 854 CA ASP A 53 9.481 -40.099 -7.429 1.00 0.00 C ATOM 855 C ASP A 53 10.424 -39.270 -8.345 1.00 0.00 C ATOM 856 O ASP A 53 11.588 -38.981 -8.014 1.00 0.00 O ATOM 857 CB ASP A 53 9.122 -41.474 -8.097 1.00 0.00 C ATOM 858 CG ASP A 53 8.934 -42.629 -7.112 1.00 0.00 C ATOM 859 OD1 ASP A 53 9.944 -43.182 -6.668 1.00 0.00 O ATOM 860 OD2 ASP A 53 7.801 -43.041 -6.854 1.00 0.00 O ATOM 0 H ASP A 53 7.390 -39.926 -7.327 1.00 0.00 H new ATOM 0 HA ASP A 53 10.030 -40.261 -6.501 1.00 0.00 H new ATOM 0 HB2 ASP A 53 8.206 -41.354 -8.676 1.00 0.00 H new ATOM 0 HB3 ASP A 53 9.911 -41.738 -8.801 1.00 0.00 H new ATOM 865 N CYS A 54 9.906 -38.879 -9.517 1.00 0.00 N ATOM 866 CA CYS A 54 10.596 -37.936 -10.397 1.00 0.00 C ATOM 867 C CYS A 54 10.858 -36.534 -9.803 1.00 0.00 C ATOM 868 O CYS A 54 11.887 -35.939 -10.129 1.00 0.00 O ATOM 869 CB CYS A 54 9.842 -37.832 -11.719 1.00 0.00 C ATOM 870 SG CYS A 54 10.260 -39.078 -12.968 1.00 0.00 S ATOM 0 H CYS A 54 9.008 -39.204 -9.875 1.00 0.00 H new ATOM 0 HA CYS A 54 11.593 -38.350 -10.547 1.00 0.00 H new ATOM 0 HB2 CYS A 54 8.774 -37.897 -11.512 1.00 0.00 H new ATOM 0 HB3 CYS A 54 10.025 -36.845 -12.143 1.00 0.00 H new ATOM 875 N CYS A 55 9.986 -35.967 -8.958 1.00 0.00 N ATOM 876 CA CYS A 55 10.276 -34.723 -8.233 1.00 0.00 C ATOM 877 C CYS A 55 11.411 -34.897 -7.200 1.00 0.00 C ATOM 878 O CYS A 55 12.200 -33.965 -7.004 1.00 0.00 O ATOM 879 CB CYS A 55 8.986 -34.146 -7.598 1.00 0.00 C ATOM 880 SG CYS A 55 8.838 -32.350 -7.805 1.00 0.00 S ATOM 0 H CYS A 55 9.064 -36.356 -8.759 1.00 0.00 H new ATOM 0 HA CYS A 55 10.642 -33.996 -8.958 1.00 0.00 H new ATOM 0 HB2 CYS A 55 8.119 -34.631 -8.046 1.00 0.00 H new ATOM 0 HB3 CYS A 55 8.972 -34.386 -6.535 1.00 0.00 H new ATOM 885 N TYR A 56 11.537 -36.070 -6.549 1.00 0.00 N ATOM 886 CA TYR A 56 12.758 -36.433 -5.823 1.00 0.00 C ATOM 887 C TYR A 56 14.005 -36.451 -6.723 1.00 0.00 C ATOM 888 O TYR A 56 15.010 -35.875 -6.288 1.00 0.00 O ATOM 889 CB TYR A 56 12.641 -37.790 -5.068 1.00 0.00 C ATOM 890 CG TYR A 56 11.842 -37.725 -3.753 1.00 0.00 C ATOM 891 CD1 TYR A 56 12.045 -36.739 -2.797 1.00 0.00 C ATOM 892 CD2 TYR A 56 10.932 -38.722 -3.440 1.00 0.00 C ATOM 893 CE1 TYR A 56 11.373 -36.750 -1.591 1.00 0.00 C ATOM 894 CE2 TYR A 56 10.259 -38.744 -2.234 1.00 0.00 C ATOM 895 CZ TYR A 56 10.481 -37.752 -1.310 1.00 0.00 C ATOM 896 OH TYR A 56 9.822 -37.744 -0.124 1.00 0.00 O ATOM 0 H TYR A 56 10.805 -36.779 -6.514 1.00 0.00 H new ATOM 0 HA TYR A 56 12.879 -35.643 -5.082 1.00 0.00 H new ATOM 0 HB2 TYR A 56 12.170 -38.519 -5.728 1.00 0.00 H new ATOM 0 HB3 TYR A 56 13.644 -38.158 -4.851 1.00 0.00 H new ATOM 0 HD1 TYR A 56 12.746 -35.943 -3.002 1.00 0.00 H new ATOM 0 HD2 TYR A 56 10.743 -39.505 -4.160 1.00 0.00 H new ATOM 0 HE1 TYR A 56 11.550 -35.968 -0.868 1.00 0.00 H new ATOM 0 HE2 TYR A 56 9.560 -39.539 -2.018 1.00 0.00 H new ATOM 0 HH TYR A 56 9.225 -38.520 -0.076 1.00 0.00 H new ATOM 906 N ILE A 57 14.032 -37.058 -7.934 1.00 0.00 N ATOM 907 CA ILE A 57 15.218 -36.856 -8.791 1.00 0.00 C ATOM 908 C ILE A 57 15.368 -35.441 -9.389 1.00 0.00 C ATOM 909 O ILE A 57 16.508 -35.043 -9.626 1.00 0.00 O ATOM 910 CB ILE A 57 15.635 -38.006 -9.763 1.00 0.00 C ATOM 911 CG1 ILE A 57 14.607 -38.500 -10.786 1.00 0.00 C ATOM 912 CG2 ILE A 57 16.155 -39.216 -8.960 1.00 0.00 C ATOM 913 CD1 ILE A 57 14.173 -37.481 -11.841 1.00 0.00 C ATOM 0 H ILE A 57 13.298 -37.653 -8.318 1.00 0.00 H new ATOM 0 HA ILE A 57 15.995 -36.934 -8.031 1.00 0.00 H new ATOM 0 HB ILE A 57 16.405 -37.531 -10.371 1.00 0.00 H new ATOM 0 HG12 ILE A 57 15.020 -39.370 -11.297 1.00 0.00 H new ATOM 0 HG13 ILE A 57 13.721 -38.837 -10.248 1.00 0.00 H new ATOM 0 HG21 ILE A 57 16.443 -40.012 -9.647 1.00 0.00 H new ATOM 0 HG22 ILE A 57 17.020 -38.916 -8.369 1.00 0.00 H new ATOM 0 HG23 ILE A 57 15.370 -39.577 -8.296 1.00 0.00 H new ATOM 0 HD11 ILE A 57 13.445 -37.938 -12.511 1.00 0.00 H new ATOM 0 HD12 ILE A 57 13.722 -36.618 -11.350 1.00 0.00 H new ATOM 0 HD13 ILE A 57 15.042 -37.159 -12.415 1.00 0.00 H new ATOM 925 N ALA A 58 14.299 -34.661 -9.634 1.00 0.00 N ATOM 926 CA ALA A 58 14.396 -33.229 -9.959 1.00 0.00 C ATOM 927 C ALA A 58 15.123 -32.420 -8.861 1.00 0.00 C ATOM 928 O ALA A 58 15.955 -31.568 -9.179 1.00 0.00 O ATOM 929 CB ALA A 58 12.991 -32.662 -10.203 1.00 0.00 C ATOM 0 H ALA A 58 13.341 -35.009 -9.612 1.00 0.00 H new ATOM 0 HA ALA A 58 14.995 -33.135 -10.865 1.00 0.00 H new ATOM 0 HB1 ALA A 58 13.063 -31.601 -10.444 1.00 0.00 H new ATOM 0 HB2 ALA A 58 12.524 -33.191 -11.034 1.00 0.00 H new ATOM 0 HB3 ALA A 58 12.386 -32.790 -9.305 1.00 0.00 H new ATOM 935 N ASN A 59 14.825 -32.685 -7.575 1.00 0.00 N ATOM 936 CA ASN A 59 15.613 -32.171 -6.445 1.00 0.00 C ATOM 937 C ASN A 59 17.073 -32.673 -6.439 1.00 0.00 C ATOM 938 O ASN A 59 17.979 -31.858 -6.252 1.00 0.00 O ATOM 939 CB ASN A 59 14.922 -32.501 -5.093 1.00 0.00 C ATOM 940 CG ASN A 59 13.691 -31.627 -4.861 1.00 0.00 C ATOM 941 OD1 ASN A 59 13.768 -30.563 -4.259 1.00 0.00 O ATOM 942 ND2 ASN A 59 12.507 -31.991 -5.310 1.00 0.00 N ATOM 0 H ASN A 59 14.032 -33.261 -7.293 1.00 0.00 H new ATOM 0 HA ASN A 59 15.656 -31.089 -6.574 1.00 0.00 H new ATOM 0 HB2 ASN A 59 14.631 -33.551 -5.080 1.00 0.00 H new ATOM 0 HB3 ASN A 59 15.630 -32.356 -4.277 1.00 0.00 H new ATOM 0 HD21 ASN A 59 11.696 -31.394 -5.151 1.00 0.00 H new ATOM 0 HD22 ASN A 59 12.402 -32.870 -5.816 1.00 0.00 H new ATOM 949 N GLN A 60 17.323 -33.981 -6.643 1.00 0.00 N ATOM 950 CA GLN A 60 18.678 -34.541 -6.773 1.00 0.00 C ATOM 951 C GLN A 60 19.468 -33.935 -7.952 1.00 0.00 C ATOM 952 O GLN A 60 20.632 -33.571 -7.764 1.00 0.00 O ATOM 953 CB GLN A 60 18.579 -36.092 -6.871 1.00 0.00 C ATOM 954 CG GLN A 60 19.913 -36.906 -6.826 1.00 0.00 C ATOM 955 CD GLN A 60 20.526 -37.169 -8.208 1.00 0.00 C ATOM 956 OE1 GLN A 60 20.172 -38.121 -8.898 1.00 0.00 O ATOM 957 NE2 GLN A 60 21.468 -36.360 -8.655 1.00 0.00 N ATOM 0 H GLN A 60 16.585 -34.681 -6.722 1.00 0.00 H new ATOM 0 HA GLN A 60 19.247 -34.272 -5.883 1.00 0.00 H new ATOM 0 HB2 GLN A 60 17.945 -36.440 -6.056 1.00 0.00 H new ATOM 0 HB3 GLN A 60 18.066 -36.338 -7.801 1.00 0.00 H new ATOM 0 HG2 GLN A 60 20.636 -36.366 -6.215 1.00 0.00 H new ATOM 0 HG3 GLN A 60 19.729 -37.861 -6.333 1.00 0.00 H new ATOM 0 HE21 GLN A 60 21.769 -35.566 -8.090 1.00 0.00 H new ATOM 0 HE22 GLN A 60 21.895 -36.528 -9.566 1.00 0.00 H new ATOM 966 N VAL A 61 18.874 -33.821 -9.153 1.00 0.00 N ATOM 967 CA VAL A 61 19.492 -33.141 -10.300 1.00 0.00 C ATOM 968 C VAL A 61 19.737 -31.643 -10.031 1.00 0.00 C ATOM 969 O VAL A 61 20.820 -31.165 -10.370 1.00 0.00 O ATOM 970 CB VAL A 61 18.687 -33.406 -11.619 1.00 0.00 C ATOM 971 CG1 VAL A 61 19.175 -32.608 -12.851 1.00 0.00 C ATOM 972 CG2 VAL A 61 18.770 -34.898 -12.010 1.00 0.00 C ATOM 0 H VAL A 61 17.949 -34.200 -9.354 1.00 0.00 H new ATOM 0 HA VAL A 61 20.481 -33.575 -10.445 1.00 0.00 H new ATOM 0 HB VAL A 61 17.674 -33.083 -11.380 1.00 0.00 H new ATOM 0 HG11 VAL A 61 18.558 -32.858 -13.714 1.00 0.00 H new ATOM 0 HG12 VAL A 61 19.098 -31.540 -12.647 1.00 0.00 H new ATOM 0 HG13 VAL A 61 20.214 -32.863 -13.062 1.00 0.00 H new ATOM 0 HG21 VAL A 61 18.206 -35.066 -12.928 1.00 0.00 H new ATOM 0 HG22 VAL A 61 19.812 -35.175 -12.169 1.00 0.00 H new ATOM 0 HG23 VAL A 61 18.350 -35.508 -11.210 1.00 0.00 H new ATOM 982 N ARG A 62 18.813 -30.886 -9.414 1.00 0.00 N ATOM 983 CA ARG A 62 19.065 -29.487 -9.043 1.00 0.00 C ATOM 984 C ARG A 62 20.096 -29.309 -7.901 1.00 0.00 C ATOM 985 O ARG A 62 20.802 -28.298 -7.875 1.00 0.00 O ATOM 986 CB ARG A 62 17.716 -28.781 -8.733 1.00 0.00 C ATOM 987 CG ARG A 62 17.785 -27.233 -8.804 1.00 0.00 C ATOM 988 CD ARG A 62 17.938 -26.688 -10.236 1.00 0.00 C ATOM 989 NE ARG A 62 18.197 -25.253 -10.143 1.00 0.00 N ATOM 990 CZ ARG A 62 19.367 -24.680 -10.169 1.00 0.00 C ATOM 991 NH1 ARG A 62 20.498 -25.264 -10.327 1.00 0.00 N ATOM 992 NH2 ARG A 62 19.358 -23.414 -10.036 1.00 0.00 N ATOM 0 H ARG A 62 17.884 -31.223 -9.162 1.00 0.00 H new ATOM 0 HA ARG A 62 19.534 -29.007 -9.902 1.00 0.00 H new ATOM 0 HB2 ARG A 62 16.962 -29.134 -9.437 1.00 0.00 H new ATOM 0 HB3 ARG A 62 17.384 -29.075 -7.737 1.00 0.00 H new ATOM 0 HG2 ARG A 62 16.881 -26.817 -8.360 1.00 0.00 H new ATOM 0 HG3 ARG A 62 18.624 -26.887 -8.201 1.00 0.00 H new ATOM 0 HD2 ARG A 62 18.757 -27.191 -10.751 1.00 0.00 H new ATOM 0 HD3 ARG A 62 17.034 -26.876 -10.815 1.00 0.00 H new ATOM 0 HE ARG A 62 17.385 -24.642 -10.049 1.00 0.00 H new ATOM 0 HH11 ARG A 62 20.537 -26.276 -10.448 1.00 0.00 H new ATOM 0 HH12 ARG A 62 21.359 -24.716 -10.331 1.00 0.00 H new ATOM 0 HH21 ARG A 62 18.473 -22.920 -9.919 1.00 0.00 H new ATOM 0 HH22 ARG A 62 20.235 -22.894 -10.046 1.00 0.00 H new ATOM 1006 N ALA A 63 20.214 -30.240 -6.939 1.00 0.00 N ATOM 1007 CA ALA A 63 21.339 -30.261 -5.992 1.00 0.00 C ATOM 1008 C ALA A 63 22.698 -30.601 -6.649 1.00 0.00 C ATOM 1009 O ALA A 63 23.745 -30.125 -6.209 1.00 0.00 O ATOM 1010 CB ALA A 63 21.014 -31.258 -4.862 1.00 0.00 C ATOM 0 H ALA A 63 19.539 -30.992 -6.797 1.00 0.00 H new ATOM 0 HA ALA A 63 21.454 -29.252 -5.595 1.00 0.00 H new ATOM 0 HB1 ALA A 63 21.840 -31.284 -4.151 1.00 0.00 H new ATOM 0 HB2 ALA A 63 20.105 -30.944 -4.350 1.00 0.00 H new ATOM 0 HB3 ALA A 63 20.867 -32.252 -5.285 1.00 0.00 H new ATOM 1016 N GLU A 64 22.684 -31.456 -7.680 1.00 0.00 N ATOM 1017 CA GLU A 64 23.843 -31.761 -8.524 1.00 0.00 C ATOM 1018 C GLU A 64 24.189 -30.625 -9.517 1.00 0.00 C ATOM 1019 O GLU A 64 25.344 -30.208 -9.605 1.00 0.00 O ATOM 1020 CB GLU A 64 23.460 -33.057 -9.277 1.00 0.00 C ATOM 1021 CG GLU A 64 24.546 -33.744 -10.152 1.00 0.00 C ATOM 1022 CD GLU A 64 23.893 -34.724 -11.130 1.00 0.00 C ATOM 1023 OE1 GLU A 64 23.516 -35.820 -10.718 1.00 0.00 O ATOM 1024 OE2 GLU A 64 23.737 -34.351 -12.293 1.00 0.00 O ATOM 0 H GLU A 64 21.845 -31.966 -7.956 1.00 0.00 H new ATOM 0 HA GLU A 64 24.740 -31.876 -7.916 1.00 0.00 H new ATOM 0 HB2 GLU A 64 23.118 -33.783 -8.539 1.00 0.00 H new ATOM 0 HB3 GLU A 64 22.609 -32.830 -9.919 1.00 0.00 H new ATOM 0 HG2 GLU A 64 25.110 -32.991 -10.702 1.00 0.00 H new ATOM 0 HG3 GLU A 64 25.256 -34.272 -9.516 1.00 0.00 H new ATOM 1031 N GLN A 65 23.221 -30.132 -10.301 1.00 0.00 N ATOM 1032 CA GLN A 65 23.437 -29.085 -11.306 1.00 0.00 C ATOM 1033 C GLN A 65 22.616 -27.798 -11.046 1.00 0.00 C ATOM 1034 O GLN A 65 23.226 -26.744 -10.876 1.00 0.00 O ATOM 1035 CB GLN A 65 23.106 -29.676 -12.714 1.00 0.00 C ATOM 1036 CG GLN A 65 24.095 -30.777 -13.199 1.00 0.00 C ATOM 1037 CD GLN A 65 23.605 -31.451 -14.484 1.00 0.00 C ATOM 1038 OE1 GLN A 65 23.458 -30.829 -15.528 1.00 0.00 O ATOM 1039 NE2 GLN A 65 23.338 -32.743 -14.483 1.00 0.00 N ATOM 0 H GLN A 65 22.254 -30.454 -10.254 1.00 0.00 H new ATOM 0 HA GLN A 65 24.482 -28.779 -11.249 1.00 0.00 H new ATOM 0 HB2 GLN A 65 22.099 -30.093 -12.692 1.00 0.00 H new ATOM 0 HB3 GLN A 65 23.099 -28.865 -13.442 1.00 0.00 H new ATOM 0 HG2 GLN A 65 25.076 -30.335 -13.371 1.00 0.00 H new ATOM 0 HG3 GLN A 65 24.216 -31.527 -12.418 1.00 0.00 H new ATOM 0 HE21 GLN A 65 23.452 -33.287 -13.627 1.00 0.00 H new ATOM 0 HE22 GLN A 65 23.018 -33.198 -15.338 1.00 0.00 H new ATOM 1048 N SER A 66 21.380 -27.832 -11.032 1.00 0.00 N TER 1049 SER A 66