USER MOD reduce.3.24.130724 H: found=0, std=0, add=467, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 464 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 40 TYR OH : rot 47:sc= -0.16 USER MOD Set 1.2: A 44 THR OG1 : rot -174:sc= 1.29 USER MOD Set 2.1: A 9 GLN : amide:sc= -11.8! C(o=-11!,f=-18!) USER MOD Set 2.2: A 32 CYS SG : rot 71:sc= 0.449 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -116:sc= 0.112 (180deg=0) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ -165:sc= 1.26 (180deg=1.07) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ -173:sc= 1.24 (180deg=1.16) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 80:sc= 0.1 USER MOD Single : A 37 LYS NZ :NH3+ -149:sc= 0.242 (180deg=-0.0369) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ -139:sc= 0.304 (180deg=-0.244) USER MOD Single : A 46 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.0874) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 HIS : no HD1:sc= -0.127 X(o=-0.13,f=-0.5) USER MOD Single : A 55 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 56 HIS : no HD1:sc= 0 X(o=0,f=-0.17) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.436 0.597 0.776 1.00 0.00 N ATOM 2 CA MET A 1 1.291 -0.452 1.399 1.00 0.00 C ATOM 3 C MET A 1 1.767 -1.417 0.312 1.00 0.00 C ATOM 4 O MET A 1 1.194 -1.474 -0.773 1.00 0.00 O ATOM 5 CB MET A 1 0.471 -1.201 2.449 1.00 0.00 C ATOM 6 CG MET A 1 1.333 -2.269 3.113 1.00 0.00 C ATOM 7 SD MET A 1 0.434 -2.994 4.504 1.00 0.00 S ATOM 8 CE MET A 1 1.650 -4.271 4.906 1.00 0.00 C ATOM 0 H1 MET A 1 0.893 1.525 0.882 1.00 0.00 H new ATOM 0 H2 MET A 1 0.310 0.387 -0.235 1.00 0.00 H new ATOM 0 H3 MET A 1 -0.492 0.612 1.245 1.00 0.00 H new ATOM 0 HA MET A 1 2.159 0.001 1.879 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.099 -0.503 3.199 1.00 0.00 H new ATOM 0 HB3 MET A 1 -0.400 -1.662 1.983 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.592 -3.043 2.391 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.269 -1.831 3.460 1.00 0.00 H new ATOM 0 HE1 MET A 1 1.297 -4.855 5.756 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.787 -4.927 4.046 1.00 0.00 H new ATOM 0 HE3 MET A 1 2.601 -3.801 5.159 1.00 0.00 H new ATOM 20 N VAL A 2 2.824 -2.161 0.606 1.00 0.00 N ATOM 21 CA VAL A 2 3.351 -3.128 -0.342 1.00 0.00 C ATOM 22 C VAL A 2 2.564 -4.435 -0.226 1.00 0.00 C ATOM 23 O VAL A 2 1.443 -4.450 0.278 1.00 0.00 O ATOM 24 CB VAL A 2 4.827 -3.381 -0.045 1.00 0.00 C ATOM 25 CG1 VAL A 2 5.589 -2.062 -0.097 1.00 0.00 C ATOM 26 CG2 VAL A 2 4.968 -3.999 1.346 1.00 0.00 C ATOM 0 H VAL A 2 3.331 -2.113 1.490 1.00 0.00 H new ATOM 0 HA VAL A 2 3.252 -2.739 -1.355 1.00 0.00 H new ATOM 0 HB VAL A 2 5.236 -4.065 -0.789 1.00 0.00 H new ATOM 0 HG11 VAL A 2 6.643 -2.242 0.115 1.00 0.00 H new ATOM 0 HG12 VAL A 2 5.488 -1.623 -1.089 1.00 0.00 H new ATOM 0 HG13 VAL A 2 5.181 -1.377 0.646 1.00 0.00 H new ATOM 0 HG21 VAL A 2 6.022 -4.180 1.559 1.00 0.00 H new ATOM 0 HG22 VAL A 2 4.560 -3.316 2.091 1.00 0.00 H new ATOM 0 HG23 VAL A 2 4.423 -4.943 1.382 1.00 0.00 H new ATOM 36 N TYR A 3 3.149 -5.529 -0.690 1.00 0.00 N ATOM 37 CA TYR A 3 2.483 -6.817 -0.608 1.00 0.00 C ATOM 38 C TYR A 3 3.393 -7.816 0.122 1.00 0.00 C ATOM 39 O TYR A 3 4.353 -8.344 -0.432 1.00 0.00 O ATOM 40 CB TYR A 3 2.091 -7.290 -2.009 1.00 0.00 C ATOM 41 CG TYR A 3 3.297 -7.614 -2.865 1.00 0.00 C ATOM 42 CD1 TYR A 3 4.101 -6.588 -3.377 1.00 0.00 C ATOM 43 CD2 TYR A 3 3.549 -8.942 -3.232 1.00 0.00 C ATOM 44 CE1 TYR A 3 5.146 -6.890 -4.262 1.00 0.00 C ATOM 45 CE2 TYR A 3 4.588 -9.243 -4.121 1.00 0.00 C ATOM 46 CZ TYR A 3 5.386 -8.218 -4.637 1.00 0.00 C ATOM 47 OH TYR A 3 6.404 -8.512 -5.519 1.00 0.00 O ATOM 0 H TYR A 3 4.073 -5.550 -1.122 1.00 0.00 H new ATOM 0 HA TYR A 3 1.562 -6.733 -0.032 1.00 0.00 H new ATOM 0 HB2 TYR A 3 1.458 -8.174 -1.928 1.00 0.00 H new ATOM 0 HB3 TYR A 3 1.498 -6.517 -2.498 1.00 0.00 H new ATOM 0 HD1 TYR A 3 3.916 -5.563 -3.090 1.00 0.00 H new ATOM 0 HD2 TYR A 3 2.940 -9.737 -2.828 1.00 0.00 H new ATOM 0 HE1 TYR A 3 5.766 -6.098 -4.655 1.00 0.00 H new ATOM 0 HE2 TYR A 3 4.773 -10.268 -4.408 1.00 0.00 H new ATOM 0 HH TYR A 3 6.435 -9.479 -5.672 1.00 0.00 H new ATOM 57 N ASP A 4 3.054 -8.071 1.379 1.00 0.00 N ATOM 58 CA ASP A 4 3.863 -8.928 2.238 1.00 0.00 C ATOM 59 C ASP A 4 3.745 -10.419 1.889 1.00 0.00 C ATOM 60 O ASP A 4 4.475 -10.915 1.044 1.00 0.00 O ATOM 61 CB ASP A 4 3.458 -8.706 3.693 1.00 0.00 C ATOM 62 CG ASP A 4 3.852 -7.295 4.140 1.00 0.00 C ATOM 63 OD1 ASP A 4 4.488 -6.602 3.363 1.00 0.00 O ATOM 64 OD2 ASP A 4 3.515 -6.934 5.256 1.00 0.00 O ATOM 0 H ASP A 4 2.220 -7.694 1.829 1.00 0.00 H new ATOM 0 HA ASP A 4 4.905 -8.652 2.079 1.00 0.00 H new ATOM 0 HB2 ASP A 4 2.383 -8.844 3.804 1.00 0.00 H new ATOM 0 HB3 ASP A 4 3.942 -9.446 4.330 1.00 0.00 H new ATOM 69 N LYS A 5 2.831 -11.124 2.552 1.00 0.00 N ATOM 70 CA LYS A 5 2.674 -12.572 2.362 1.00 0.00 C ATOM 71 C LYS A 5 2.793 -12.999 0.897 1.00 0.00 C ATOM 72 O LYS A 5 3.501 -13.954 0.572 1.00 0.00 O ATOM 73 CB LYS A 5 1.321 -13.017 2.903 1.00 0.00 C ATOM 74 CG LYS A 5 1.262 -12.770 4.407 1.00 0.00 C ATOM 75 CD LYS A 5 -0.027 -13.359 4.971 1.00 0.00 C ATOM 76 CE LYS A 5 -0.146 -12.998 6.449 1.00 0.00 C ATOM 77 NZ LYS A 5 -1.365 -13.634 7.023 1.00 0.00 N ATOM 0 H LYS A 5 2.184 -10.718 3.228 1.00 0.00 H new ATOM 0 HA LYS A 5 3.487 -13.051 2.908 1.00 0.00 H new ATOM 0 HB2 LYS A 5 0.521 -12.470 2.403 1.00 0.00 H new ATOM 0 HB3 LYS A 5 1.164 -14.075 2.692 1.00 0.00 H new ATOM 0 HG2 LYS A 5 2.125 -13.224 4.895 1.00 0.00 H new ATOM 0 HG3 LYS A 5 1.306 -11.700 4.612 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -0.886 -12.975 4.421 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -0.029 -14.442 4.849 1.00 0.00 H new ATOM 0 HE2 LYS A 5 0.740 -13.334 6.988 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -0.199 -11.916 6.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -1.444 -13.387 8.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -2.206 -13.293 6.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -1.297 -14.667 6.925 1.00 0.00 H new ATOM 91 N ILE A 6 2.101 -12.301 0.029 1.00 0.00 N ATOM 92 CA ILE A 6 2.121 -12.623 -1.379 1.00 0.00 C ATOM 93 C ILE A 6 3.562 -12.572 -1.906 1.00 0.00 C ATOM 94 O ILE A 6 4.010 -13.498 -2.577 1.00 0.00 O ATOM 95 CB ILE A 6 1.199 -11.657 -2.134 1.00 0.00 C ATOM 96 CG1 ILE A 6 1.594 -11.584 -3.599 1.00 0.00 C ATOM 97 CG2 ILE A 6 1.246 -10.269 -1.517 1.00 0.00 C ATOM 98 CD1 ILE A 6 0.642 -12.460 -4.385 1.00 0.00 C ATOM 0 H ILE A 6 1.515 -11.503 0.274 1.00 0.00 H new ATOM 0 HA ILE A 6 1.751 -13.636 -1.538 1.00 0.00 H new ATOM 0 HB ILE A 6 0.180 -12.036 -2.058 1.00 0.00 H new ATOM 0 HG12 ILE A 6 1.547 -10.555 -3.955 1.00 0.00 H new ATOM 0 HG13 ILE A 6 2.622 -11.922 -3.734 1.00 0.00 H new ATOM 0 HG21 ILE A 6 0.584 -9.602 -2.070 1.00 0.00 H new ATOM 0 HG22 ILE A 6 0.922 -10.322 -0.478 1.00 0.00 H new ATOM 0 HG23 ILE A 6 2.266 -9.886 -1.560 1.00 0.00 H new ATOM 0 HD11 ILE A 6 0.904 -12.425 -5.442 1.00 0.00 H new ATOM 0 HD12 ILE A 6 0.713 -13.487 -4.027 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -0.378 -12.099 -4.252 1.00 0.00 H new ATOM 110 N ALA A 7 4.298 -11.518 -1.583 1.00 0.00 N ATOM 111 CA ALA A 7 5.682 -11.426 -2.029 1.00 0.00 C ATOM 112 C ALA A 7 6.523 -12.462 -1.291 1.00 0.00 C ATOM 113 O ALA A 7 7.345 -13.155 -1.885 1.00 0.00 O ATOM 114 CB ALA A 7 6.242 -10.041 -1.724 1.00 0.00 C ATOM 0 H ALA A 7 3.970 -10.729 -1.026 1.00 0.00 H new ATOM 0 HA ALA A 7 5.716 -11.606 -3.104 1.00 0.00 H new ATOM 0 HB1 ALA A 7 7.277 -9.984 -2.062 1.00 0.00 H new ATOM 0 HB2 ALA A 7 5.649 -9.287 -2.242 1.00 0.00 H new ATOM 0 HB3 ALA A 7 6.201 -9.860 -0.650 1.00 0.00 H new ATOM 120 N ALA A 8 6.282 -12.553 0.008 1.00 0.00 N ATOM 121 CA ALA A 8 7.009 -13.458 0.881 1.00 0.00 C ATOM 122 C ALA A 8 7.289 -14.802 0.213 1.00 0.00 C ATOM 123 O ALA A 8 8.435 -15.112 -0.108 1.00 0.00 O ATOM 124 CB ALA A 8 6.212 -13.685 2.161 1.00 0.00 C ATOM 0 H ALA A 8 5.573 -11.998 0.487 1.00 0.00 H new ATOM 0 HA ALA A 8 7.969 -12.994 1.109 1.00 0.00 H new ATOM 0 HB1 ALA A 8 6.759 -14.364 2.815 1.00 0.00 H new ATOM 0 HB2 ALA A 8 6.063 -12.733 2.670 1.00 0.00 H new ATOM 0 HB3 ALA A 8 5.244 -14.120 1.914 1.00 0.00 H new ATOM 130 N GLN A 9 6.260 -15.605 -0.016 1.00 0.00 N ATOM 131 CA GLN A 9 6.513 -16.905 -0.596 1.00 0.00 C ATOM 132 C GLN A 9 6.549 -16.831 -2.129 1.00 0.00 C ATOM 133 O GLN A 9 7.079 -17.728 -2.785 1.00 0.00 O ATOM 134 CB GLN A 9 5.489 -17.907 -0.094 1.00 0.00 C ATOM 135 CG GLN A 9 4.105 -17.508 -0.537 1.00 0.00 C ATOM 136 CD GLN A 9 3.873 -18.152 -1.878 1.00 0.00 C ATOM 137 OE1 GLN A 9 3.973 -19.363 -2.010 1.00 0.00 O ATOM 138 NE2 GLN A 9 3.594 -17.388 -2.881 1.00 0.00 N ATOM 0 H GLN A 9 5.283 -15.388 0.183 1.00 0.00 H new ATOM 0 HA GLN A 9 7.498 -17.247 -0.278 1.00 0.00 H new ATOM 0 HB2 GLN A 9 5.727 -18.901 -0.473 1.00 0.00 H new ATOM 0 HB3 GLN A 9 5.528 -17.963 0.994 1.00 0.00 H new ATOM 0 HG2 GLN A 9 3.358 -17.839 0.185 1.00 0.00 H new ATOM 0 HG3 GLN A 9 4.020 -16.424 -0.609 1.00 0.00 H new ATOM 0 HE21 GLN A 9 3.515 -16.380 -2.748 1.00 0.00 H new ATOM 0 HE22 GLN A 9 3.452 -17.793 -3.806 1.00 0.00 H new ATOM 147 N GLY A 10 5.972 -15.782 -2.707 1.00 0.00 N ATOM 148 CA GLY A 10 6.029 -15.623 -4.150 1.00 0.00 C ATOM 149 C GLY A 10 7.484 -15.728 -4.610 1.00 0.00 C ATOM 150 O GLY A 10 7.822 -16.506 -5.504 1.00 0.00 O ATOM 0 H GLY A 10 5.471 -15.046 -2.209 1.00 0.00 H new ATOM 0 HA2 GLY A 10 5.425 -16.389 -4.636 1.00 0.00 H new ATOM 0 HA3 GLY A 10 5.613 -14.658 -4.438 1.00 0.00 H new ATOM 154 N GLU A 11 8.345 -14.947 -3.973 1.00 0.00 N ATOM 155 CA GLU A 11 9.759 -14.954 -4.313 1.00 0.00 C ATOM 156 C GLU A 11 10.401 -16.282 -3.904 1.00 0.00 C ATOM 157 O GLU A 11 11.374 -16.717 -4.516 1.00 0.00 O ATOM 158 CB GLU A 11 10.468 -13.799 -3.611 1.00 0.00 C ATOM 159 CG GLU A 11 10.373 -13.982 -2.102 1.00 0.00 C ATOM 160 CD GLU A 11 10.982 -12.775 -1.389 1.00 0.00 C ATOM 161 OE1 GLU A 11 12.173 -12.561 -1.542 1.00 0.00 O ATOM 162 OE2 GLU A 11 10.244 -12.083 -0.706 1.00 0.00 O ATOM 0 H GLU A 11 8.091 -14.305 -3.223 1.00 0.00 H new ATOM 0 HA GLU A 11 9.858 -14.835 -5.392 1.00 0.00 H new ATOM 0 HB2 GLU A 11 11.513 -13.761 -3.918 1.00 0.00 H new ATOM 0 HB3 GLU A 11 10.016 -12.851 -3.902 1.00 0.00 H new ATOM 0 HG2 GLU A 11 9.330 -14.101 -1.807 1.00 0.00 H new ATOM 0 HG3 GLU A 11 10.894 -14.892 -1.804 1.00 0.00 H new ATOM 169 N VAL A 12 9.858 -16.926 -2.875 1.00 0.00 N ATOM 170 CA VAL A 12 10.406 -18.200 -2.426 1.00 0.00 C ATOM 171 C VAL A 12 10.558 -19.144 -3.620 1.00 0.00 C ATOM 172 O VAL A 12 11.644 -19.649 -3.896 1.00 0.00 O ATOM 173 CB VAL A 12 9.485 -18.829 -1.381 1.00 0.00 C ATOM 174 CG1 VAL A 12 9.881 -20.283 -1.148 1.00 0.00 C ATOM 175 CG2 VAL A 12 9.605 -18.062 -0.071 1.00 0.00 C ATOM 0 H VAL A 12 9.053 -16.593 -2.345 1.00 0.00 H new ATOM 0 HA VAL A 12 11.384 -18.028 -1.976 1.00 0.00 H new ATOM 0 HB VAL A 12 8.457 -18.787 -1.741 1.00 0.00 H new ATOM 0 HG11 VAL A 12 9.220 -20.725 -0.402 1.00 0.00 H new ATOM 0 HG12 VAL A 12 9.796 -20.838 -2.082 1.00 0.00 H new ATOM 0 HG13 VAL A 12 10.910 -20.327 -0.793 1.00 0.00 H new ATOM 0 HG21 VAL A 12 8.948 -18.510 0.675 1.00 0.00 H new ATOM 0 HG22 VAL A 12 10.636 -18.103 0.282 1.00 0.00 H new ATOM 0 HG23 VAL A 12 9.317 -17.023 -0.230 1.00 0.00 H new ATOM 185 N VAL A 13 9.469 -19.368 -4.335 1.00 0.00 N ATOM 186 CA VAL A 13 9.513 -20.250 -5.488 1.00 0.00 C ATOM 187 C VAL A 13 10.357 -19.647 -6.604 1.00 0.00 C ATOM 188 O VAL A 13 11.100 -20.360 -7.275 1.00 0.00 O ATOM 189 CB VAL A 13 8.112 -20.521 -5.987 1.00 0.00 C ATOM 190 CG1 VAL A 13 8.137 -20.753 -7.494 1.00 0.00 C ATOM 191 CG2 VAL A 13 7.593 -21.764 -5.283 1.00 0.00 C ATOM 0 H VAL A 13 8.555 -18.958 -4.141 1.00 0.00 H new ATOM 0 HA VAL A 13 9.973 -21.190 -5.182 1.00 0.00 H new ATOM 0 HB VAL A 13 7.464 -19.670 -5.777 1.00 0.00 H new ATOM 0 HG11 VAL A 13 7.125 -20.948 -7.849 1.00 0.00 H new ATOM 0 HG12 VAL A 13 8.532 -19.867 -7.992 1.00 0.00 H new ATOM 0 HG13 VAL A 13 8.772 -21.610 -7.720 1.00 0.00 H new ATOM 0 HG21 VAL A 13 6.582 -21.981 -5.626 1.00 0.00 H new ATOM 0 HG22 VAL A 13 8.243 -22.609 -5.511 1.00 0.00 H new ATOM 0 HG23 VAL A 13 7.582 -21.594 -4.206 1.00 0.00 H new ATOM 201 N ARG A 14 10.232 -18.344 -6.821 1.00 0.00 N ATOM 202 CA ARG A 14 11.030 -17.697 -7.850 1.00 0.00 C ATOM 203 C ARG A 14 12.503 -18.049 -7.639 1.00 0.00 C ATOM 204 O ARG A 14 13.237 -18.310 -8.592 1.00 0.00 O ATOM 205 CB ARG A 14 10.834 -16.186 -7.794 1.00 0.00 C ATOM 206 CG ARG A 14 9.433 -15.840 -8.291 1.00 0.00 C ATOM 207 CD ARG A 14 9.323 -14.335 -8.507 1.00 0.00 C ATOM 208 NE ARG A 14 10.234 -13.923 -9.565 1.00 0.00 N ATOM 209 CZ ARG A 14 10.319 -12.651 -9.948 1.00 0.00 C ATOM 210 NH1 ARG A 14 9.576 -11.735 -9.375 1.00 0.00 N ATOM 211 NH2 ARG A 14 11.146 -12.314 -10.904 1.00 0.00 N ATOM 0 H ARG A 14 9.600 -17.727 -6.310 1.00 0.00 H new ATOM 0 HA ARG A 14 10.712 -18.048 -8.832 1.00 0.00 H new ATOM 0 HB2 ARG A 14 10.969 -15.828 -6.773 1.00 0.00 H new ATOM 0 HB3 ARG A 14 11.584 -15.688 -8.408 1.00 0.00 H new ATOM 0 HG2 ARG A 14 9.226 -16.367 -9.222 1.00 0.00 H new ATOM 0 HG3 ARG A 14 8.688 -16.169 -7.567 1.00 0.00 H new ATOM 0 HD2 ARG A 14 8.299 -14.070 -8.772 1.00 0.00 H new ATOM 0 HD3 ARG A 14 9.560 -13.807 -7.583 1.00 0.00 H new ATOM 0 HE ARG A 14 10.819 -14.623 -10.022 1.00 0.00 H new ATOM 0 HH11 ARG A 14 8.928 -11.995 -8.631 1.00 0.00 H new ATOM 0 HH12 ARG A 14 9.646 -10.762 -9.673 1.00 0.00 H new ATOM 0 HH21 ARG A 14 11.723 -13.025 -11.353 1.00 0.00 H new ATOM 0 HH22 ARG A 14 11.214 -11.340 -11.200 1.00 0.00 H new ATOM 225 N LYS A 15 12.926 -18.053 -6.384 1.00 0.00 N ATOM 226 CA LYS A 15 14.295 -18.407 -6.054 1.00 0.00 C ATOM 227 C LYS A 15 14.509 -19.908 -6.263 1.00 0.00 C ATOM 228 O LYS A 15 15.522 -20.330 -6.817 1.00 0.00 O ATOM 229 CB LYS A 15 14.579 -18.055 -4.596 1.00 0.00 C ATOM 230 CG LYS A 15 15.700 -17.024 -4.521 1.00 0.00 C ATOM 231 CD LYS A 15 16.954 -17.581 -5.186 1.00 0.00 C ATOM 232 CE LYS A 15 18.144 -16.688 -4.856 1.00 0.00 C ATOM 233 NZ LYS A 15 19.378 -17.259 -5.465 1.00 0.00 N ATOM 0 H LYS A 15 12.343 -17.816 -5.582 1.00 0.00 H new ATOM 0 HA LYS A 15 14.972 -17.851 -6.703 1.00 0.00 H new ATOM 0 HB2 LYS A 15 13.678 -17.661 -4.126 1.00 0.00 H new ATOM 0 HB3 LYS A 15 14.860 -18.952 -4.044 1.00 0.00 H new ATOM 0 HG2 LYS A 15 15.393 -16.102 -5.015 1.00 0.00 H new ATOM 0 HG3 LYS A 15 15.909 -16.774 -3.481 1.00 0.00 H new ATOM 0 HD2 LYS A 15 17.141 -18.597 -4.839 1.00 0.00 H new ATOM 0 HD3 LYS A 15 16.813 -17.633 -6.266 1.00 0.00 H new ATOM 0 HE2 LYS A 15 17.972 -15.680 -5.234 1.00 0.00 H new ATOM 0 HE3 LYS A 15 18.263 -16.607 -3.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 20.214 -16.809 -5.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 19.410 -18.284 -5.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 19.373 -17.083 -6.490 1.00 0.00 H new ATOM 247 N LEU A 16 13.549 -20.708 -5.818 1.00 0.00 N ATOM 248 CA LEU A 16 13.652 -22.154 -5.959 1.00 0.00 C ATOM 249 C LEU A 16 13.878 -22.540 -7.423 1.00 0.00 C ATOM 250 O LEU A 16 14.890 -23.151 -7.767 1.00 0.00 O ATOM 251 CB LEU A 16 12.375 -22.809 -5.442 1.00 0.00 C ATOM 252 CG LEU A 16 12.621 -23.384 -4.049 1.00 0.00 C ATOM 253 CD1 LEU A 16 13.124 -22.284 -3.119 1.00 0.00 C ATOM 254 CD2 LEU A 16 11.319 -23.955 -3.498 1.00 0.00 C ATOM 0 H LEU A 16 12.697 -20.384 -5.360 1.00 0.00 H new ATOM 0 HA LEU A 16 14.504 -22.503 -5.375 1.00 0.00 H new ATOM 0 HB2 LEU A 16 11.568 -22.077 -5.407 1.00 0.00 H new ATOM 0 HB3 LEU A 16 12.059 -23.600 -6.122 1.00 0.00 H new ATOM 0 HG LEU A 16 13.370 -24.174 -4.113 1.00 0.00 H new ATOM 0 HD11 LEU A 16 13.298 -22.699 -2.126 1.00 0.00 H new ATOM 0 HD12 LEU A 16 14.056 -21.875 -3.510 1.00 0.00 H new ATOM 0 HD13 LEU A 16 12.378 -21.492 -3.056 1.00 0.00 H new ATOM 0 HD21 LEU A 16 11.494 -24.366 -2.504 1.00 0.00 H new ATOM 0 HD22 LEU A 16 10.572 -23.164 -3.438 1.00 0.00 H new ATOM 0 HD23 LEU A 16 10.960 -24.744 -4.158 1.00 0.00 H new ATOM 266 N LYS A 17 12.937 -22.178 -8.284 1.00 0.00 N ATOM 267 CA LYS A 17 13.061 -22.498 -9.700 1.00 0.00 C ATOM 268 C LYS A 17 14.339 -21.875 -10.279 1.00 0.00 C ATOM 269 O LYS A 17 14.925 -22.407 -11.220 1.00 0.00 O ATOM 270 CB LYS A 17 11.832 -21.991 -10.456 1.00 0.00 C ATOM 271 CG LYS A 17 11.830 -20.465 -10.506 1.00 0.00 C ATOM 272 CD LYS A 17 12.466 -19.993 -11.812 1.00 0.00 C ATOM 273 CE LYS A 17 12.323 -18.479 -11.935 1.00 0.00 C ATOM 274 NZ LYS A 17 12.903 -18.029 -13.233 1.00 0.00 N ATOM 0 H LYS A 17 12.090 -21.669 -8.032 1.00 0.00 H new ATOM 0 HA LYS A 17 13.125 -23.580 -9.814 1.00 0.00 H new ATOM 0 HB2 LYS A 17 11.828 -22.394 -11.469 1.00 0.00 H new ATOM 0 HB3 LYS A 17 10.925 -22.346 -9.968 1.00 0.00 H new ATOM 0 HG2 LYS A 17 10.809 -20.090 -10.431 1.00 0.00 H new ATOM 0 HG3 LYS A 17 12.381 -20.063 -9.656 1.00 0.00 H new ATOM 0 HD2 LYS A 17 13.519 -20.272 -11.836 1.00 0.00 H new ATOM 0 HD3 LYS A 17 11.987 -20.483 -12.659 1.00 0.00 H new ATOM 0 HE2 LYS A 17 11.272 -18.196 -11.877 1.00 0.00 H new ATOM 0 HE3 LYS A 17 12.832 -17.986 -11.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 12.806 -16.997 -13.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 13.910 -18.286 -13.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 12.398 -18.490 -14.017 1.00 0.00 H new ATOM 288 N ALA A 18 14.767 -20.749 -9.717 1.00 0.00 N ATOM 289 CA ALA A 18 15.981 -20.095 -10.188 1.00 0.00 C ATOM 290 C ALA A 18 17.187 -20.996 -9.928 1.00 0.00 C ATOM 291 O ALA A 18 18.011 -21.227 -10.812 1.00 0.00 O ATOM 292 CB ALA A 18 16.172 -18.766 -9.466 1.00 0.00 C ATOM 0 H ALA A 18 14.298 -20.276 -8.945 1.00 0.00 H new ATOM 0 HA ALA A 18 15.891 -19.910 -11.258 1.00 0.00 H new ATOM 0 HB1 ALA A 18 17.082 -18.285 -9.825 1.00 0.00 H new ATOM 0 HB2 ALA A 18 15.317 -18.119 -9.663 1.00 0.00 H new ATOM 0 HB3 ALA A 18 16.254 -18.943 -8.394 1.00 0.00 H new ATOM 298 N GLU A 19 17.283 -21.501 -8.708 1.00 0.00 N ATOM 299 CA GLU A 19 18.380 -22.383 -8.342 1.00 0.00 C ATOM 300 C GLU A 19 18.037 -23.846 -8.657 1.00 0.00 C ATOM 301 O GLU A 19 18.765 -24.756 -8.262 1.00 0.00 O ATOM 302 CB GLU A 19 18.683 -22.236 -6.857 1.00 0.00 C ATOM 303 CG GLU A 19 19.253 -20.849 -6.593 1.00 0.00 C ATOM 304 CD GLU A 19 19.796 -20.773 -5.167 1.00 0.00 C ATOM 305 OE1 GLU A 19 20.560 -21.650 -4.799 1.00 0.00 O ATOM 306 OE2 GLU A 19 19.448 -19.834 -4.472 1.00 0.00 O ATOM 0 H GLU A 19 16.618 -21.316 -7.957 1.00 0.00 H new ATOM 0 HA GLU A 19 19.257 -22.102 -8.926 1.00 0.00 H new ATOM 0 HB2 GLU A 19 17.775 -22.386 -6.273 1.00 0.00 H new ATOM 0 HB3 GLU A 19 19.394 -23.000 -6.542 1.00 0.00 H new ATOM 0 HG2 GLU A 19 20.048 -20.631 -7.306 1.00 0.00 H new ATOM 0 HG3 GLU A 19 18.479 -20.095 -6.738 1.00 0.00 H new ATOM 313 N LYS A 20 16.925 -24.061 -9.358 1.00 0.00 N ATOM 314 CA LYS A 20 16.498 -25.402 -9.739 1.00 0.00 C ATOM 315 C LYS A 20 15.906 -26.137 -8.538 1.00 0.00 C ATOM 316 O LYS A 20 16.623 -26.713 -7.722 1.00 0.00 O ATOM 317 CB LYS A 20 17.671 -26.197 -10.302 1.00 0.00 C ATOM 318 CG LYS A 20 18.372 -25.380 -11.383 1.00 0.00 C ATOM 319 CD LYS A 20 19.577 -26.154 -11.906 1.00 0.00 C ATOM 320 CE LYS A 20 20.320 -25.304 -12.931 1.00 0.00 C ATOM 321 NZ LYS A 20 21.496 -26.061 -13.449 1.00 0.00 N ATOM 0 H LYS A 20 16.302 -23.318 -9.674 1.00 0.00 H new ATOM 0 HA LYS A 20 15.732 -25.308 -10.509 1.00 0.00 H new ATOM 0 HB2 LYS A 20 18.373 -26.442 -9.505 1.00 0.00 H new ATOM 0 HB3 LYS A 20 17.318 -27.141 -10.717 1.00 0.00 H new ATOM 0 HG2 LYS A 20 17.681 -25.168 -12.199 1.00 0.00 H new ATOM 0 HG3 LYS A 20 18.691 -24.420 -10.978 1.00 0.00 H new ATOM 0 HD2 LYS A 20 20.242 -26.413 -11.082 1.00 0.00 H new ATOM 0 HD3 LYS A 20 19.252 -27.090 -12.360 1.00 0.00 H new ATOM 0 HE2 LYS A 20 19.653 -25.041 -13.752 1.00 0.00 H new ATOM 0 HE3 LYS A 20 20.648 -24.370 -12.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 22.002 -25.481 -14.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 22.135 -26.291 -12.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 21.172 -26.941 -13.899 1.00 0.00 H new ATOM 335 N ALA A 21 14.588 -26.113 -8.452 1.00 0.00 N ATOM 336 CA ALA A 21 13.882 -26.771 -7.365 1.00 0.00 C ATOM 337 C ALA A 21 12.756 -27.628 -7.954 1.00 0.00 C ATOM 338 O ALA A 21 12.601 -27.701 -9.172 1.00 0.00 O ATOM 339 CB ALA A 21 13.309 -25.712 -6.428 1.00 0.00 C ATOM 0 H ALA A 21 13.982 -25.643 -9.125 1.00 0.00 H new ATOM 0 HA ALA A 21 14.562 -27.410 -6.801 1.00 0.00 H new ATOM 0 HB1 ALA A 21 12.778 -26.199 -5.610 1.00 0.00 H new ATOM 0 HB2 ALA A 21 14.120 -25.106 -6.024 1.00 0.00 H new ATOM 0 HB3 ALA A 21 12.619 -25.073 -6.979 1.00 0.00 H new ATOM 345 N PRO A 22 11.944 -28.289 -7.110 1.00 0.00 N ATOM 346 CA PRO A 22 10.853 -29.133 -7.577 1.00 0.00 C ATOM 347 C PRO A 22 9.636 -28.319 -8.024 1.00 0.00 C ATOM 348 O PRO A 22 9.293 -27.300 -7.423 1.00 0.00 O ATOM 349 CB PRO A 22 10.518 -29.998 -6.372 1.00 0.00 C ATOM 350 CG PRO A 22 10.950 -29.179 -5.163 1.00 0.00 C ATOM 351 CD PRO A 22 12.048 -28.233 -5.653 1.00 0.00 C ATOM 0 HA PRO A 22 11.138 -29.713 -8.455 1.00 0.00 H new ATOM 0 HB2 PRO A 22 9.453 -30.225 -6.334 1.00 0.00 H new ATOM 0 HB3 PRO A 22 11.046 -30.951 -6.412 1.00 0.00 H new ATOM 0 HG2 PRO A 22 10.110 -28.619 -4.753 1.00 0.00 H new ATOM 0 HG3 PRO A 22 11.321 -29.826 -4.368 1.00 0.00 H new ATOM 0 HD2 PRO A 22 11.896 -27.220 -5.281 1.00 0.00 H new ATOM 0 HD3 PRO A 22 13.032 -28.554 -5.311 1.00 0.00 H new ATOM 359 N LYS A 23 8.985 -28.783 -9.081 1.00 0.00 N ATOM 360 CA LYS A 23 7.812 -28.098 -9.606 1.00 0.00 C ATOM 361 C LYS A 23 6.705 -28.038 -8.549 1.00 0.00 C ATOM 362 O LYS A 23 5.921 -27.093 -8.517 1.00 0.00 O ATOM 363 CB LYS A 23 7.300 -28.831 -10.845 1.00 0.00 C ATOM 364 CG LYS A 23 7.008 -30.289 -10.498 1.00 0.00 C ATOM 365 CD LYS A 23 6.430 -31.001 -11.717 1.00 0.00 C ATOM 366 CE LYS A 23 6.246 -32.481 -11.397 1.00 0.00 C ATOM 367 NZ LYS A 23 5.585 -33.162 -12.546 1.00 0.00 N ATOM 0 H LYS A 23 9.247 -29.627 -9.590 1.00 0.00 H new ATOM 0 HA LYS A 23 8.094 -27.080 -9.874 1.00 0.00 H new ATOM 0 HB2 LYS A 23 6.397 -28.348 -11.217 1.00 0.00 H new ATOM 0 HB3 LYS A 23 8.041 -28.779 -11.642 1.00 0.00 H new ATOM 0 HG2 LYS A 23 7.922 -30.786 -10.174 1.00 0.00 H new ATOM 0 HG3 LYS A 23 6.305 -30.341 -9.667 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.474 -30.555 -11.993 1.00 0.00 H new ATOM 0 HD3 LYS A 23 7.096 -30.882 -12.572 1.00 0.00 H new ATOM 0 HE2 LYS A 23 7.212 -32.943 -11.195 1.00 0.00 H new ATOM 0 HE3 LYS A 23 5.643 -32.597 -10.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 5.460 -34.171 -12.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 4.656 -32.728 -12.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 6.177 -33.063 -13.395 1.00 0.00 H new ATOM 381 N ALA A 24 6.651 -29.047 -7.687 1.00 0.00 N ATOM 382 CA ALA A 24 5.635 -29.103 -6.644 1.00 0.00 C ATOM 383 C ALA A 24 5.643 -27.828 -5.800 1.00 0.00 C ATOM 384 O ALA A 24 4.592 -27.303 -5.442 1.00 0.00 O ATOM 385 CB ALA A 24 5.895 -30.305 -5.743 1.00 0.00 C ATOM 0 H ALA A 24 7.298 -29.836 -7.690 1.00 0.00 H new ATOM 0 HA ALA A 24 4.660 -29.197 -7.121 1.00 0.00 H new ATOM 0 HB1 ALA A 24 5.135 -30.346 -4.963 1.00 0.00 H new ATOM 0 HB2 ALA A 24 5.857 -31.219 -6.336 1.00 0.00 H new ATOM 0 HB3 ALA A 24 6.880 -30.210 -5.285 1.00 0.00 H new ATOM 391 N LYS A 25 6.826 -27.324 -5.498 1.00 0.00 N ATOM 392 CA LYS A 25 6.936 -26.134 -4.679 1.00 0.00 C ATOM 393 C LYS A 25 6.671 -24.890 -5.522 1.00 0.00 C ATOM 394 O LYS A 25 5.970 -23.980 -5.091 1.00 0.00 O ATOM 395 CB LYS A 25 8.325 -26.068 -4.058 1.00 0.00 C ATOM 396 CG LYS A 25 8.455 -27.091 -2.922 1.00 0.00 C ATOM 397 CD LYS A 25 7.193 -27.950 -2.821 1.00 0.00 C ATOM 398 CE LYS A 25 7.280 -28.839 -1.584 1.00 0.00 C ATOM 399 NZ LYS A 25 6.035 -29.649 -1.467 1.00 0.00 N ATOM 0 H LYS A 25 7.716 -27.717 -5.805 1.00 0.00 H new ATOM 0 HA LYS A 25 6.193 -26.176 -3.883 1.00 0.00 H new ATOM 0 HB2 LYS A 25 9.080 -26.264 -4.820 1.00 0.00 H new ATOM 0 HB3 LYS A 25 8.511 -25.065 -3.675 1.00 0.00 H new ATOM 0 HG2 LYS A 25 9.322 -27.728 -3.097 1.00 0.00 H new ATOM 0 HG3 LYS A 25 8.625 -26.574 -1.978 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.310 -27.313 -2.763 1.00 0.00 H new ATOM 0 HD3 LYS A 25 7.085 -28.563 -3.716 1.00 0.00 H new ATOM 0 HE2 LYS A 25 8.148 -29.495 -1.654 1.00 0.00 H new ATOM 0 HE3 LYS A 25 7.414 -28.227 -0.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 6.041 -30.166 -0.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 5.207 -29.020 -1.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 5.987 -30.327 -2.254 1.00 0.00 H new ATOM 413 N VAL A 26 7.220 -24.861 -6.725 1.00 0.00 N ATOM 414 CA VAL A 26 7.018 -23.722 -7.608 1.00 0.00 C ATOM 415 C VAL A 26 5.519 -23.427 -7.765 1.00 0.00 C ATOM 416 O VAL A 26 5.076 -22.298 -7.553 1.00 0.00 O ATOM 417 CB VAL A 26 7.640 -24.015 -8.968 1.00 0.00 C ATOM 418 CG1 VAL A 26 7.124 -23.012 -9.997 1.00 0.00 C ATOM 419 CG2 VAL A 26 9.155 -23.893 -8.859 1.00 0.00 C ATOM 0 H VAL A 26 7.803 -25.604 -7.111 1.00 0.00 H new ATOM 0 HA VAL A 26 7.498 -22.845 -7.174 1.00 0.00 H new ATOM 0 HB VAL A 26 7.371 -25.023 -9.283 1.00 0.00 H new ATOM 0 HG11 VAL A 26 7.571 -23.225 -10.968 1.00 0.00 H new ATOM 0 HG12 VAL A 26 6.039 -23.092 -10.071 1.00 0.00 H new ATOM 0 HG13 VAL A 26 7.393 -22.002 -9.687 1.00 0.00 H new ATOM 0 HG21 VAL A 26 9.607 -24.101 -9.829 1.00 0.00 H new ATOM 0 HG22 VAL A 26 9.417 -22.882 -8.546 1.00 0.00 H new ATOM 0 HG23 VAL A 26 9.526 -24.608 -8.124 1.00 0.00 H new ATOM 429 N THR A 27 4.734 -24.433 -8.135 1.00 0.00 N ATOM 430 CA THR A 27 3.298 -24.218 -8.289 1.00 0.00 C ATOM 431 C THR A 27 2.670 -23.896 -6.934 1.00 0.00 C ATOM 432 O THR A 27 1.721 -23.119 -6.850 1.00 0.00 O ATOM 433 CB THR A 27 2.624 -25.439 -8.906 1.00 0.00 C ATOM 434 OG1 THR A 27 1.232 -25.182 -9.049 1.00 0.00 O ATOM 435 CG2 THR A 27 2.826 -26.660 -8.013 1.00 0.00 C ATOM 0 H THR A 27 5.055 -25.381 -8.330 1.00 0.00 H new ATOM 0 HA THR A 27 3.149 -23.374 -8.962 1.00 0.00 H new ATOM 0 HB THR A 27 3.067 -25.638 -9.882 1.00 0.00 H new ATOM 0 HG1 THR A 27 0.794 -25.963 -9.447 1.00 0.00 H new ATOM 0 HG21 THR A 27 2.340 -27.525 -8.464 1.00 0.00 H new ATOM 0 HG22 THR A 27 3.892 -26.858 -7.904 1.00 0.00 H new ATOM 0 HG23 THR A 27 2.390 -26.470 -7.032 1.00 0.00 H new ATOM 443 N GLU A 28 3.189 -24.505 -5.877 1.00 0.00 N ATOM 444 CA GLU A 28 2.678 -24.225 -4.549 1.00 0.00 C ATOM 445 C GLU A 28 2.693 -22.716 -4.330 1.00 0.00 C ATOM 446 O GLU A 28 1.739 -22.137 -3.826 1.00 0.00 O ATOM 447 CB GLU A 28 3.539 -24.906 -3.492 1.00 0.00 C ATOM 448 CG GLU A 28 2.819 -26.139 -2.961 1.00 0.00 C ATOM 449 CD GLU A 28 3.540 -26.656 -1.715 1.00 0.00 C ATOM 450 OE1 GLU A 28 3.667 -25.893 -0.772 1.00 0.00 O ATOM 451 OE2 GLU A 28 3.956 -27.803 -1.725 1.00 0.00 O ATOM 0 H GLU A 28 3.950 -25.184 -5.914 1.00 0.00 H new ATOM 0 HA GLU A 28 1.661 -24.608 -4.463 1.00 0.00 H new ATOM 0 HB2 GLU A 28 4.500 -25.190 -3.920 1.00 0.00 H new ATOM 0 HB3 GLU A 28 3.746 -24.214 -2.676 1.00 0.00 H new ATOM 0 HG2 GLU A 28 1.785 -25.893 -2.720 1.00 0.00 H new ATOM 0 HG3 GLU A 28 2.792 -26.915 -3.726 1.00 0.00 H new ATOM 458 N ALA A 29 3.783 -22.079 -4.714 1.00 0.00 N ATOM 459 CA ALA A 29 3.877 -20.637 -4.568 1.00 0.00 C ATOM 460 C ALA A 29 2.904 -19.947 -5.515 1.00 0.00 C ATOM 461 O ALA A 29 2.278 -18.951 -5.158 1.00 0.00 O ATOM 462 CB ALA A 29 5.290 -20.164 -4.860 1.00 0.00 C ATOM 0 H ALA A 29 4.603 -22.527 -5.123 1.00 0.00 H new ATOM 0 HA ALA A 29 3.622 -20.380 -3.540 1.00 0.00 H new ATOM 0 HB1 ALA A 29 5.342 -19.081 -4.746 1.00 0.00 H new ATOM 0 HB2 ALA A 29 5.983 -20.636 -4.164 1.00 0.00 H new ATOM 0 HB3 ALA A 29 5.561 -20.435 -5.881 1.00 0.00 H new ATOM 468 N VAL A 30 2.784 -20.478 -6.718 1.00 0.00 N ATOM 469 CA VAL A 30 1.882 -19.909 -7.700 1.00 0.00 C ATOM 470 C VAL A 30 0.504 -19.673 -7.077 1.00 0.00 C ATOM 471 O VAL A 30 -0.049 -18.577 -7.149 1.00 0.00 O ATOM 472 CB VAL A 30 1.765 -20.860 -8.893 1.00 0.00 C ATOM 473 CG1 VAL A 30 0.397 -20.698 -9.545 1.00 0.00 C ATOM 474 CG2 VAL A 30 2.854 -20.530 -9.908 1.00 0.00 C ATOM 0 H VAL A 30 3.298 -21.299 -7.037 1.00 0.00 H new ATOM 0 HA VAL A 30 2.277 -18.951 -8.039 1.00 0.00 H new ATOM 0 HB VAL A 30 1.881 -21.888 -8.551 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.316 -21.376 -10.394 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.382 -20.931 -8.819 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.277 -19.671 -9.889 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.774 -21.205 -10.760 1.00 0.00 H new ATOM 0 HG22 VAL A 30 2.735 -19.501 -10.248 1.00 0.00 H new ATOM 0 HG23 VAL A 30 3.833 -20.647 -9.443 1.00 0.00 H new ATOM 484 N GLU A 31 -0.039 -20.705 -6.467 1.00 0.00 N ATOM 485 CA GLU A 31 -1.350 -20.605 -5.847 1.00 0.00 C ATOM 486 C GLU A 31 -1.356 -19.652 -4.637 1.00 0.00 C ATOM 487 O GLU A 31 -2.302 -18.883 -4.478 1.00 0.00 O ATOM 488 CB GLU A 31 -1.832 -21.984 -5.430 1.00 0.00 C ATOM 489 CG GLU A 31 -0.809 -22.624 -4.515 1.00 0.00 C ATOM 490 CD GLU A 31 -1.359 -23.938 -3.961 1.00 0.00 C ATOM 491 OE1 GLU A 31 -2.436 -23.910 -3.389 1.00 0.00 O ATOM 492 OE2 GLU A 31 -0.696 -24.949 -4.119 1.00 0.00 O ATOM 0 H GLU A 31 0.402 -21.621 -6.385 1.00 0.00 H new ATOM 0 HA GLU A 31 -2.030 -20.186 -6.589 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -2.792 -21.906 -4.920 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -1.988 -22.607 -6.310 1.00 0.00 H new ATOM 0 HG2 GLU A 31 0.116 -22.808 -5.061 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -0.566 -21.947 -3.696 1.00 0.00 H new ATOM 499 N CYS A 32 -0.330 -19.685 -3.773 1.00 0.00 N ATOM 500 CA CYS A 32 -0.333 -18.786 -2.625 1.00 0.00 C ATOM 501 C CYS A 32 -0.445 -17.362 -3.132 1.00 0.00 C ATOM 502 O CYS A 32 -1.121 -16.533 -2.540 1.00 0.00 O ATOM 503 CB CYS A 32 0.930 -18.932 -1.778 1.00 0.00 C ATOM 504 SG CYS A 32 1.319 -20.684 -1.561 1.00 0.00 S ATOM 0 H CYS A 32 0.480 -20.301 -3.846 1.00 0.00 H new ATOM 0 HA CYS A 32 -1.180 -19.041 -1.988 1.00 0.00 H new ATOM 0 HB2 CYS A 32 1.764 -18.421 -2.260 1.00 0.00 H new ATOM 0 HB3 CYS A 32 0.785 -18.459 -0.807 1.00 0.00 H new ATOM 0 HG CYS A 32 1.735 -21.179 -2.689 1.00 0.00 H new ATOM 510 N LEU A 33 0.222 -17.090 -4.237 1.00 0.00 N ATOM 511 CA LEU A 33 0.157 -15.781 -4.839 1.00 0.00 C ATOM 512 C LEU A 33 -1.289 -15.491 -5.211 1.00 0.00 C ATOM 513 O LEU A 33 -1.854 -14.492 -4.794 1.00 0.00 O ATOM 514 CB LEU A 33 1.031 -15.737 -6.087 1.00 0.00 C ATOM 515 CG LEU A 33 2.494 -15.876 -5.688 1.00 0.00 C ATOM 516 CD1 LEU A 33 3.360 -15.965 -6.937 1.00 0.00 C ATOM 517 CD2 LEU A 33 2.912 -14.664 -4.870 1.00 0.00 C ATOM 0 H LEU A 33 0.812 -17.759 -4.732 1.00 0.00 H new ATOM 0 HA LEU A 33 0.519 -15.031 -4.135 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.751 -16.540 -6.768 1.00 0.00 H new ATOM 0 HB3 LEU A 33 0.876 -14.799 -6.620 1.00 0.00 H new ATOM 0 HG LEU A 33 2.622 -16.781 -5.094 1.00 0.00 H new ATOM 0 HD11 LEU A 33 4.406 -16.064 -6.648 1.00 0.00 H new ATOM 0 HD12 LEU A 33 3.062 -16.833 -7.525 1.00 0.00 H new ATOM 0 HD13 LEU A 33 3.233 -15.061 -7.533 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.959 -14.762 -4.584 1.00 0.00 H new ATOM 0 HD22 LEU A 33 2.782 -13.761 -5.466 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.295 -14.600 -3.974 1.00 0.00 H new ATOM 529 N LEU A 34 -1.893 -16.393 -5.968 1.00 0.00 N ATOM 530 CA LEU A 34 -3.275 -16.213 -6.390 1.00 0.00 C ATOM 531 C LEU A 34 -4.174 -15.916 -5.184 1.00 0.00 C ATOM 532 O LEU A 34 -4.901 -14.919 -5.155 1.00 0.00 O ATOM 533 CB LEU A 34 -3.767 -17.481 -7.085 1.00 0.00 C ATOM 534 CG LEU A 34 -2.979 -17.710 -8.369 1.00 0.00 C ATOM 535 CD1 LEU A 34 -3.302 -19.096 -8.922 1.00 0.00 C ATOM 536 CD2 LEU A 34 -3.369 -16.654 -9.399 1.00 0.00 C ATOM 0 H LEU A 34 -1.453 -17.251 -6.301 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.320 -15.370 -7.079 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.653 -18.338 -6.421 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -4.830 -17.393 -7.311 1.00 0.00 H new ATOM 0 HG LEU A 34 -1.912 -17.639 -8.158 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.739 -19.261 -9.841 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -3.029 -19.854 -8.187 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -4.369 -19.164 -9.133 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.806 -16.817 -10.318 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -4.436 -16.727 -9.609 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.144 -15.662 -9.006 1.00 0.00 H new ATOM 548 N SER A 35 -4.101 -16.778 -4.184 1.00 0.00 N ATOM 549 CA SER A 35 -4.929 -16.624 -2.995 1.00 0.00 C ATOM 550 C SER A 35 -4.586 -15.334 -2.250 1.00 0.00 C ATOM 551 O SER A 35 -5.455 -14.502 -1.995 1.00 0.00 O ATOM 552 CB SER A 35 -4.722 -17.818 -2.073 1.00 0.00 C ATOM 553 OG SER A 35 -4.961 -19.017 -2.795 1.00 0.00 O ATOM 0 H SER A 35 -3.481 -17.588 -4.169 1.00 0.00 H new ATOM 0 HA SER A 35 -5.972 -16.572 -3.306 1.00 0.00 H new ATOM 0 HB2 SER A 35 -3.706 -17.815 -1.678 1.00 0.00 H new ATOM 0 HB3 SER A 35 -5.397 -17.754 -1.219 1.00 0.00 H new ATOM 0 HG SER A 35 -4.171 -19.239 -3.331 1.00 0.00 H new ATOM 559 N LEU A 36 -3.322 -15.176 -1.905 1.00 0.00 N ATOM 560 CA LEU A 36 -2.883 -13.996 -1.179 1.00 0.00 C ATOM 561 C LEU A 36 -3.290 -12.739 -1.937 1.00 0.00 C ATOM 562 O LEU A 36 -3.721 -11.766 -1.344 1.00 0.00 O ATOM 563 CB LEU A 36 -1.368 -14.027 -1.005 1.00 0.00 C ATOM 564 CG LEU A 36 -0.970 -13.311 0.286 1.00 0.00 C ATOM 565 CD1 LEU A 36 -1.320 -11.831 0.199 1.00 0.00 C ATOM 566 CD2 LEU A 36 -1.716 -13.932 1.461 1.00 0.00 C ATOM 0 H LEU A 36 -2.582 -15.846 -2.114 1.00 0.00 H new ATOM 0 HA LEU A 36 -3.355 -13.988 -0.196 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.019 -15.059 -0.980 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -0.887 -13.549 -1.858 1.00 0.00 H new ATOM 0 HG LEU A 36 0.105 -13.416 0.429 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -1.031 -11.334 1.125 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.786 -11.379 -0.637 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -2.394 -11.719 0.047 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -1.433 -13.422 2.382 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -2.790 -13.830 1.305 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -1.459 -14.989 1.537 1.00 0.00 H new ATOM 578 N LYS A 37 -3.150 -12.764 -3.249 1.00 0.00 N ATOM 579 CA LYS A 37 -3.523 -11.615 -4.062 1.00 0.00 C ATOM 580 C LYS A 37 -4.923 -11.132 -3.692 1.00 0.00 C ATOM 581 O LYS A 37 -5.118 -9.978 -3.299 1.00 0.00 O ATOM 582 CB LYS A 37 -3.528 -12.005 -5.531 1.00 0.00 C ATOM 583 CG LYS A 37 -2.112 -11.999 -6.077 1.00 0.00 C ATOM 584 CD LYS A 37 -2.126 -12.510 -7.513 1.00 0.00 C ATOM 585 CE LYS A 37 -3.115 -11.685 -8.335 1.00 0.00 C ATOM 586 NZ LYS A 37 -4.304 -12.516 -8.682 1.00 0.00 N ATOM 0 H LYS A 37 -2.784 -13.558 -3.774 1.00 0.00 H new ATOM 0 HA LYS A 37 -2.799 -10.820 -3.881 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -3.968 -12.995 -5.651 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -4.148 -11.310 -6.098 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -1.700 -10.990 -6.041 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -1.469 -12.628 -5.461 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -1.128 -12.439 -7.946 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -2.408 -13.563 -7.533 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -3.427 -10.806 -7.770 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -2.634 -11.325 -9.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -4.688 -12.207 -9.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -4.023 -13.515 -8.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -5.031 -12.406 -7.947 1.00 0.00 H new ATOM 600 N ALA A 38 -5.887 -12.024 -3.834 1.00 0.00 N ATOM 601 CA ALA A 38 -7.275 -11.693 -3.531 1.00 0.00 C ATOM 602 C ALA A 38 -7.405 -11.230 -2.079 1.00 0.00 C ATOM 603 O ALA A 38 -8.158 -10.307 -1.773 1.00 0.00 O ATOM 604 CB ALA A 38 -8.159 -12.914 -3.758 1.00 0.00 C ATOM 0 H ALA A 38 -5.739 -12.981 -4.156 1.00 0.00 H new ATOM 0 HA ALA A 38 -7.594 -10.886 -4.191 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -9.194 -12.661 -3.530 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -8.083 -13.230 -4.799 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -7.832 -13.726 -3.108 1.00 0.00 H new ATOM 610 N GLU A 39 -6.669 -11.880 -1.195 1.00 0.00 N ATOM 611 CA GLU A 39 -6.702 -11.525 0.216 1.00 0.00 C ATOM 612 C GLU A 39 -6.134 -10.118 0.399 1.00 0.00 C ATOM 613 O GLU A 39 -6.600 -9.343 1.234 1.00 0.00 O ATOM 614 CB GLU A 39 -5.868 -12.526 1.013 1.00 0.00 C ATOM 615 CG GLU A 39 -6.024 -12.259 2.507 1.00 0.00 C ATOM 616 CD GLU A 39 -7.315 -12.900 3.025 1.00 0.00 C ATOM 617 OE1 GLU A 39 -8.376 -12.497 2.579 1.00 0.00 O ATOM 618 OE2 GLU A 39 -7.218 -13.787 3.857 1.00 0.00 O ATOM 0 H GLU A 39 -6.044 -12.652 -1.425 1.00 0.00 H new ATOM 0 HA GLU A 39 -7.731 -11.548 0.575 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -6.185 -13.543 0.781 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -4.819 -12.447 0.728 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -5.167 -12.661 3.047 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -6.042 -11.185 2.692 1.00 0.00 H new ATOM 625 N TYR A 40 -5.115 -9.809 -0.387 1.00 0.00 N ATOM 626 CA TYR A 40 -4.475 -8.511 -0.343 1.00 0.00 C ATOM 627 C TYR A 40 -5.439 -7.438 -0.847 1.00 0.00 C ATOM 628 O TYR A 40 -6.219 -6.893 -0.071 1.00 0.00 O ATOM 629 CB TYR A 40 -3.219 -8.562 -1.212 1.00 0.00 C ATOM 630 CG TYR A 40 -2.572 -7.200 -1.281 1.00 0.00 C ATOM 631 CD1 TYR A 40 -2.104 -6.582 -0.117 1.00 0.00 C ATOM 632 CD2 TYR A 40 -2.432 -6.561 -2.520 1.00 0.00 C ATOM 633 CE1 TYR A 40 -1.500 -5.323 -0.192 1.00 0.00 C ATOM 634 CE2 TYR A 40 -1.827 -5.304 -2.597 1.00 0.00 C ATOM 635 CZ TYR A 40 -1.360 -4.684 -1.430 1.00 0.00 C ATOM 636 OH TYR A 40 -0.778 -3.437 -1.496 1.00 0.00 O ATOM 0 H TYR A 40 -4.712 -10.451 -1.070 1.00 0.00 H new ATOM 0 HA TYR A 40 -4.198 -8.260 0.681 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -2.515 -9.286 -0.802 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -3.477 -8.901 -2.216 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -2.209 -7.076 0.838 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -2.793 -7.041 -3.418 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -1.141 -4.843 0.706 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -1.720 -4.812 -3.552 1.00 0.00 H new ATOM 0 HH TYR A 40 0.048 -3.433 -0.969 1.00 0.00 H new ATOM 646 N LYS A 41 -5.397 -7.165 -2.151 1.00 0.00 N ATOM 647 CA LYS A 41 -6.256 -6.152 -2.748 1.00 0.00 C ATOM 648 C LYS A 41 -6.490 -4.995 -1.771 1.00 0.00 C ATOM 649 O LYS A 41 -7.617 -4.539 -1.586 1.00 0.00 O ATOM 650 CB LYS A 41 -7.584 -6.796 -3.136 1.00 0.00 C ATOM 651 CG LYS A 41 -8.351 -5.893 -4.097 1.00 0.00 C ATOM 652 CD LYS A 41 -9.506 -6.675 -4.708 1.00 0.00 C ATOM 653 CE LYS A 41 -10.286 -5.775 -5.659 1.00 0.00 C ATOM 654 NZ LYS A 41 -11.309 -6.580 -6.384 1.00 0.00 N ATOM 0 H LYS A 41 -4.776 -7.633 -2.811 1.00 0.00 H new ATOM 0 HA LYS A 41 -5.771 -5.746 -3.636 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -7.403 -7.764 -3.602 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -8.182 -6.979 -2.243 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -8.729 -5.018 -3.569 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -7.687 -5.530 -4.882 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -9.126 -7.545 -5.244 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -10.163 -7.047 -3.922 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -10.769 -4.972 -5.102 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -9.607 -5.306 -6.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -11.840 -5.964 -7.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -10.838 -7.331 -6.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -11.964 -7.008 -5.699 1.00 0.00 H new ATOM 668 N GLU A 42 -5.416 -4.525 -1.151 1.00 0.00 N ATOM 669 CA GLU A 42 -5.522 -3.439 -0.193 1.00 0.00 C ATOM 670 C GLU A 42 -5.860 -2.134 -0.902 1.00 0.00 C ATOM 671 O GLU A 42 -6.998 -1.667 -0.868 1.00 0.00 O ATOM 672 CB GLU A 42 -4.200 -3.267 0.547 1.00 0.00 C ATOM 673 CG GLU A 42 -4.207 -4.094 1.824 1.00 0.00 C ATOM 674 CD GLU A 42 -2.992 -3.720 2.674 1.00 0.00 C ATOM 675 OE1 GLU A 42 -2.852 -2.548 2.983 1.00 0.00 O ATOM 676 OE2 GLU A 42 -2.219 -4.609 2.993 1.00 0.00 O ATOM 0 H GLU A 42 -4.469 -4.877 -1.294 1.00 0.00 H new ATOM 0 HA GLU A 42 -6.315 -3.684 0.514 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.373 -3.577 -0.092 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -4.042 -2.215 0.786 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -5.126 -3.914 2.383 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -4.184 -5.157 1.583 1.00 0.00 H new ATOM 683 N LYS A 43 -4.865 -1.557 -1.548 1.00 0.00 N ATOM 684 CA LYS A 43 -5.052 -0.292 -2.232 1.00 0.00 C ATOM 685 C LYS A 43 -3.796 0.052 -3.024 1.00 0.00 C ATOM 686 O LYS A 43 -3.353 1.199 -3.048 1.00 0.00 O ATOM 687 CB LYS A 43 -5.325 0.798 -1.201 1.00 0.00 C ATOM 688 CG LYS A 43 -4.409 0.592 0.004 1.00 0.00 C ATOM 689 CD LYS A 43 -4.711 1.643 1.066 1.00 0.00 C ATOM 690 CE LYS A 43 -3.762 1.464 2.248 1.00 0.00 C ATOM 691 NZ LYS A 43 -4.061 0.179 2.948 1.00 0.00 N ATOM 0 H LYS A 43 -3.923 -1.942 -1.614 1.00 0.00 H new ATOM 0 HA LYS A 43 -5.896 -0.366 -2.917 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.153 1.781 -1.640 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -6.369 0.766 -0.889 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -4.553 -0.407 0.416 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -3.366 0.662 -0.304 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -4.599 2.642 0.645 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -5.745 1.551 1.399 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -2.729 1.467 1.900 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -3.868 2.299 2.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -4.006 0.323 3.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -5.017 -0.140 2.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -3.368 -0.542 2.662 1.00 0.00 H new ATOM 705 N THR A 44 -3.232 -0.949 -3.675 1.00 0.00 N ATOM 706 CA THR A 44 -2.024 -0.748 -4.445 1.00 0.00 C ATOM 707 C THR A 44 -2.126 -1.469 -5.783 1.00 0.00 C ATOM 708 O THR A 44 -2.181 -0.841 -6.838 1.00 0.00 O ATOM 709 CB THR A 44 -0.830 -1.281 -3.662 1.00 0.00 C ATOM 710 OG1 THR A 44 -0.825 -0.699 -2.365 1.00 0.00 O ATOM 711 CG2 THR A 44 0.462 -0.926 -4.388 1.00 0.00 C ATOM 0 H THR A 44 -3.591 -1.904 -3.685 1.00 0.00 H new ATOM 0 HA THR A 44 -1.893 0.318 -4.631 1.00 0.00 H new ATOM 0 HB THR A 44 -0.904 -2.365 -3.577 1.00 0.00 H new ATOM 0 HG1 THR A 44 -0.009 -0.963 -1.891 1.00 0.00 H new ATOM 0 HG21 THR A 44 1.313 -1.309 -3.825 1.00 0.00 H new ATOM 0 HG22 THR A 44 0.455 -1.372 -5.383 1.00 0.00 H new ATOM 0 HG23 THR A 44 0.544 0.157 -4.477 1.00 0.00 H new ATOM 719 N GLY A 45 -2.152 -2.790 -5.738 1.00 0.00 N ATOM 720 CA GLY A 45 -2.225 -3.563 -6.959 1.00 0.00 C ATOM 721 C GLY A 45 -3.601 -4.204 -7.141 1.00 0.00 C ATOM 722 O GLY A 45 -4.027 -4.439 -8.269 1.00 0.00 O ATOM 0 H GLY A 45 -2.124 -3.341 -4.880 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -2.008 -2.919 -7.811 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -1.461 -4.340 -6.944 1.00 0.00 H new ATOM 726 N LYS A 46 -4.303 -4.462 -6.035 1.00 0.00 N ATOM 727 CA LYS A 46 -5.587 -5.144 -6.106 1.00 0.00 C ATOM 728 C LYS A 46 -5.318 -6.518 -6.681 1.00 0.00 C ATOM 729 O LYS A 46 -5.155 -6.680 -7.888 1.00 0.00 O ATOM 730 CB LYS A 46 -6.580 -4.371 -6.961 1.00 0.00 C ATOM 731 CG LYS A 46 -6.709 -2.949 -6.424 1.00 0.00 C ATOM 732 CD LYS A 46 -6.865 -2.970 -4.903 1.00 0.00 C ATOM 733 CE LYS A 46 -8.239 -2.443 -4.518 1.00 0.00 C ATOM 734 NZ LYS A 46 -8.305 -0.976 -4.770 1.00 0.00 N ATOM 0 H LYS A 46 -4.004 -4.211 -5.093 1.00 0.00 H new ATOM 0 HA LYS A 46 -6.038 -5.220 -5.117 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -6.246 -4.351 -7.998 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -7.551 -4.866 -6.948 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -5.829 -2.368 -6.698 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -7.570 -2.458 -6.878 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -6.737 -3.986 -4.529 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -6.089 -2.360 -4.440 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -9.010 -2.955 -5.094 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -8.437 -2.650 -3.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -9.101 -0.568 -4.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -7.418 -0.530 -4.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -8.442 -0.804 -5.787 1.00 0.00 H new ATOM 748 N GLU A 47 -5.304 -7.512 -5.811 1.00 0.00 N ATOM 749 CA GLU A 47 -4.891 -8.832 -6.238 1.00 0.00 C ATOM 750 C GLU A 47 -3.492 -8.606 -6.796 1.00 0.00 C ATOM 751 O GLU A 47 -3.248 -8.718 -7.996 1.00 0.00 O ATOM 752 CB GLU A 47 -5.828 -9.390 -7.305 1.00 0.00 C ATOM 753 CG GLU A 47 -7.169 -9.731 -6.668 1.00 0.00 C ATOM 754 CD GLU A 47 -7.585 -11.146 -7.068 1.00 0.00 C ATOM 755 OE1 GLU A 47 -6.786 -12.051 -6.879 1.00 0.00 O ATOM 756 OE2 GLU A 47 -8.693 -11.304 -7.553 1.00 0.00 O ATOM 0 H GLU A 47 -5.567 -7.433 -4.829 1.00 0.00 H new ATOM 0 HA GLU A 47 -4.911 -9.562 -5.428 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -5.966 -8.660 -8.102 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -5.392 -10.279 -7.760 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -7.097 -9.656 -5.583 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -7.926 -9.015 -6.987 1.00 0.00 H new ATOM 763 N TYR A 48 -2.595 -8.247 -5.884 1.00 0.00 N ATOM 764 CA TYR A 48 -1.238 -7.852 -6.224 1.00 0.00 C ATOM 765 C TYR A 48 -0.607 -8.704 -7.326 1.00 0.00 C ATOM 766 O TYR A 48 -0.925 -9.872 -7.500 1.00 0.00 O ATOM 767 CB TYR A 48 -0.357 -7.908 -4.987 1.00 0.00 C ATOM 768 CG TYR A 48 0.760 -6.931 -5.201 1.00 0.00 C ATOM 769 CD1 TYR A 48 1.906 -7.332 -5.889 1.00 0.00 C ATOM 770 CD2 TYR A 48 0.599 -5.594 -4.821 1.00 0.00 C ATOM 771 CE1 TYR A 48 2.885 -6.398 -6.219 1.00 0.00 C ATOM 772 CE2 TYR A 48 1.577 -4.658 -5.145 1.00 0.00 C ATOM 773 CZ TYR A 48 2.725 -5.057 -5.845 1.00 0.00 C ATOM 774 OH TYR A 48 3.694 -4.130 -6.170 1.00 0.00 O ATOM 0 H TYR A 48 -2.793 -8.223 -4.884 1.00 0.00 H new ATOM 0 HA TYR A 48 -1.307 -6.834 -6.609 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -0.928 -7.652 -4.095 1.00 0.00 H new ATOM 0 HB3 TYR A 48 0.034 -8.914 -4.837 1.00 0.00 H new ATOM 0 HD1 TYR A 48 2.034 -8.368 -6.166 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -0.283 -5.289 -4.277 1.00 0.00 H new ATOM 0 HE1 TYR A 48 3.766 -6.707 -6.762 1.00 0.00 H new ATOM 0 HE2 TYR A 48 1.452 -3.625 -4.857 1.00 0.00 H new ATOM 0 HH TYR A 48 3.427 -3.248 -5.838 1.00 0.00 H new ATOM 784 N VAL A 49 0.297 -8.084 -8.071 1.00 0.00 N ATOM 785 CA VAL A 49 1.014 -8.776 -9.131 1.00 0.00 C ATOM 786 C VAL A 49 2.421 -9.136 -8.640 1.00 0.00 C ATOM 787 O VAL A 49 3.326 -8.302 -8.643 1.00 0.00 O ATOM 788 CB VAL A 49 1.107 -7.881 -10.361 1.00 0.00 C ATOM 789 CG1 VAL A 49 1.750 -8.655 -11.507 1.00 0.00 C ATOM 790 CG2 VAL A 49 -0.295 -7.439 -10.770 1.00 0.00 C ATOM 0 H VAL A 49 0.551 -7.102 -7.960 1.00 0.00 H new ATOM 0 HA VAL A 49 0.479 -9.688 -9.397 1.00 0.00 H new ATOM 0 HB VAL A 49 1.714 -7.006 -10.130 1.00 0.00 H new ATOM 0 HG11 VAL A 49 1.816 -8.015 -12.387 1.00 0.00 H new ATOM 0 HG12 VAL A 49 2.750 -8.974 -11.214 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.144 -9.530 -11.740 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -0.232 -6.798 -11.650 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.900 -8.316 -11.002 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -0.756 -6.887 -9.951 1.00 0.00 H new ATOM 800 N PRO A 50 2.619 -10.393 -8.209 1.00 0.00 N ATOM 801 CA PRO A 50 3.897 -10.866 -7.690 1.00 0.00 C ATOM 802 C PRO A 50 4.905 -11.211 -8.790 1.00 0.00 C ATOM 803 O PRO A 50 5.945 -10.565 -8.911 1.00 0.00 O ATOM 804 CB PRO A 50 3.522 -12.101 -6.885 1.00 0.00 C ATOM 805 CG PRO A 50 2.229 -12.615 -7.510 1.00 0.00 C ATOM 806 CD PRO A 50 1.588 -11.427 -8.231 1.00 0.00 C ATOM 0 HA PRO A 50 4.398 -10.097 -7.102 1.00 0.00 H new ATOM 0 HB2 PRO A 50 4.308 -12.855 -6.933 1.00 0.00 H new ATOM 0 HB3 PRO A 50 3.379 -11.856 -5.833 1.00 0.00 H new ATOM 0 HG2 PRO A 50 2.432 -13.427 -8.208 1.00 0.00 H new ATOM 0 HG3 PRO A 50 1.560 -13.011 -6.746 1.00 0.00 H new ATOM 0 HD2 PRO A 50 1.306 -11.686 -9.252 1.00 0.00 H new ATOM 0 HD3 PRO A 50 0.682 -11.096 -7.724 1.00 0.00 H new ATOM 814 N GLY A 51 4.604 -12.229 -9.583 1.00 0.00 N ATOM 815 CA GLY A 51 5.506 -12.627 -10.650 1.00 0.00 C ATOM 816 C GLY A 51 5.025 -13.932 -11.267 1.00 0.00 C ATOM 817 O GLY A 51 4.998 -14.086 -12.487 1.00 0.00 O ATOM 0 H GLY A 51 3.753 -12.787 -9.509 1.00 0.00 H new ATOM 0 HA2 GLY A 51 5.551 -11.848 -11.411 1.00 0.00 H new ATOM 0 HA3 GLY A 51 6.516 -12.749 -10.259 1.00 0.00 H new ATOM 821 N LEU A 52 4.654 -14.871 -10.416 1.00 0.00 N ATOM 822 CA LEU A 52 4.157 -16.147 -10.896 1.00 0.00 C ATOM 823 C LEU A 52 2.653 -16.033 -11.133 1.00 0.00 C ATOM 824 O LEU A 52 2.216 -15.804 -12.260 1.00 0.00 O ATOM 825 CB LEU A 52 4.462 -17.247 -9.885 1.00 0.00 C ATOM 826 CG LEU A 52 5.966 -17.309 -9.638 1.00 0.00 C ATOM 827 CD1 LEU A 52 6.269 -18.414 -8.632 1.00 0.00 C ATOM 828 CD2 LEU A 52 6.685 -17.605 -10.952 1.00 0.00 C ATOM 0 H LEU A 52 4.687 -14.777 -9.401 1.00 0.00 H new ATOM 0 HA LEU A 52 4.651 -16.407 -11.832 1.00 0.00 H new ATOM 0 HB2 LEU A 52 3.937 -17.052 -8.950 1.00 0.00 H new ATOM 0 HB3 LEU A 52 4.104 -18.207 -10.257 1.00 0.00 H new ATOM 0 HG LEU A 52 6.310 -16.353 -9.243 1.00 0.00 H new ATOM 0 HD11 LEU A 52 7.343 -18.460 -8.454 1.00 0.00 H new ATOM 0 HD12 LEU A 52 5.755 -18.203 -7.694 1.00 0.00 H new ATOM 0 HD13 LEU A 52 5.926 -19.370 -9.027 1.00 0.00 H new ATOM 0 HD21 LEU A 52 7.760 -17.649 -10.777 1.00 0.00 H new ATOM 0 HD22 LEU A 52 6.342 -18.561 -11.347 1.00 0.00 H new ATOM 0 HD23 LEU A 52 6.467 -16.816 -11.672 1.00 0.00 H new ATOM 840 N GLU A 53 1.864 -16.186 -10.075 1.00 0.00 N ATOM 841 CA GLU A 53 0.425 -16.068 -10.199 1.00 0.00 C ATOM 842 C GLU A 53 -0.082 -17.053 -11.257 1.00 0.00 C ATOM 843 O GLU A 53 -1.079 -16.805 -11.933 1.00 0.00 O ATOM 844 CB GLU A 53 0.095 -14.640 -10.602 1.00 0.00 C ATOM 845 CG GLU A 53 -1.381 -14.348 -10.371 1.00 0.00 C ATOM 846 CD GLU A 53 -1.691 -12.920 -10.815 1.00 0.00 C ATOM 847 OE1 GLU A 53 -0.887 -12.046 -10.532 1.00 0.00 O ATOM 848 OE2 GLU A 53 -2.731 -12.721 -11.420 1.00 0.00 O ATOM 0 H GLU A 53 2.197 -16.390 -9.133 1.00 0.00 H new ATOM 0 HA GLU A 53 -0.060 -16.302 -9.251 1.00 0.00 H new ATOM 0 HB2 GLU A 53 0.704 -13.943 -10.026 1.00 0.00 H new ATOM 0 HB3 GLU A 53 0.342 -14.486 -11.652 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -1.995 -15.055 -10.929 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -1.627 -14.474 -9.317 1.00 0.00 H new ATOM 855 N HIS A 54 0.633 -18.163 -11.389 1.00 0.00 N ATOM 856 CA HIS A 54 0.285 -19.202 -12.356 1.00 0.00 C ATOM 857 C HIS A 54 0.705 -18.772 -13.764 1.00 0.00 C ATOM 858 O HIS A 54 0.603 -17.603 -14.129 1.00 0.00 O ATOM 859 CB HIS A 54 -1.217 -19.475 -12.326 1.00 0.00 C ATOM 860 CG HIS A 54 -1.490 -20.850 -12.875 1.00 0.00 C ATOM 861 ND1 HIS A 54 -1.660 -21.952 -12.051 1.00 0.00 N ATOM 862 CD2 HIS A 54 -1.620 -21.318 -14.158 1.00 0.00 C ATOM 863 CE1 HIS A 54 -1.881 -23.019 -12.842 1.00 0.00 C ATOM 864 NE2 HIS A 54 -1.867 -22.687 -14.135 1.00 0.00 N ATOM 0 H HIS A 54 1.464 -18.370 -10.835 1.00 0.00 H new ATOM 0 HA HIS A 54 0.815 -20.116 -12.088 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -1.591 -19.399 -11.305 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -1.745 -18.725 -12.915 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -1.542 -20.715 -15.051 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -2.049 -24.021 -12.475 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -2.007 -23.305 -14.935 1.00 0.00 H new ATOM 872 N HIS A 55 1.177 -19.728 -14.551 1.00 0.00 N ATOM 873 CA HIS A 55 1.616 -19.432 -15.907 1.00 0.00 C ATOM 874 C HIS A 55 0.427 -19.474 -16.868 1.00 0.00 C ATOM 875 O HIS A 55 0.002 -18.448 -17.394 1.00 0.00 O ATOM 876 CB HIS A 55 2.668 -20.450 -16.340 1.00 0.00 C ATOM 877 CG HIS A 55 3.768 -20.501 -15.316 1.00 0.00 C ATOM 878 ND1 HIS A 55 4.780 -19.554 -15.268 1.00 0.00 N ATOM 879 CD2 HIS A 55 4.029 -21.379 -14.294 1.00 0.00 C ATOM 880 CE1 HIS A 55 5.595 -19.882 -14.249 1.00 0.00 C ATOM 881 NE2 HIS A 55 5.183 -20.987 -13.622 1.00 0.00 N ATOM 0 H HIS A 55 1.265 -20.707 -14.278 1.00 0.00 H new ATOM 0 HA HIS A 55 2.050 -18.432 -15.929 1.00 0.00 H new ATOM 0 HB2 HIS A 55 2.213 -21.434 -16.450 1.00 0.00 H new ATOM 0 HB3 HIS A 55 3.075 -20.176 -17.313 1.00 0.00 H new ATOM 0 HD2 HIS A 55 3.430 -22.243 -14.048 1.00 0.00 H new ATOM 0 HE1 HIS A 55 6.475 -19.320 -13.972 1.00 0.00 H new ATOM 0 HE2 HIS A 55 5.620 -21.445 -12.822 1.00 0.00 H new ATOM 889 N HIS A 56 -0.107 -20.666 -17.091 1.00 0.00 N ATOM 890 CA HIS A 56 -1.241 -20.827 -17.987 1.00 0.00 C ATOM 891 C HIS A 56 -2.226 -21.839 -17.404 1.00 0.00 C ATOM 892 O HIS A 56 -3.337 -21.443 -17.092 1.00 0.00 O ATOM 893 CB HIS A 56 -0.760 -21.311 -19.351 1.00 0.00 C ATOM 894 CG HIS A 56 -0.442 -20.128 -20.222 1.00 0.00 C ATOM 895 ND1 HIS A 56 0.772 -19.460 -20.151 1.00 0.00 N ATOM 896 CD2 HIS A 56 -1.168 -19.482 -21.192 1.00 0.00 C ATOM 897 CE1 HIS A 56 0.738 -18.462 -21.054 1.00 0.00 C ATOM 898 NE2 HIS A 56 -0.422 -18.432 -21.715 1.00 0.00 N ATOM 0 H HIS A 56 0.225 -21.532 -16.666 1.00 0.00 H new ATOM 0 HA HIS A 56 -1.740 -19.865 -18.102 1.00 0.00 H new ATOM 0 HB2 HIS A 56 0.124 -21.938 -19.235 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -1.527 -21.926 -19.821 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -2.168 -19.749 -21.502 1.00 0.00 H new ATOM 0 HE1 HIS A 56 1.550 -17.770 -21.223 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -0.701 -17.779 -22.447 1.00 0.00 H new TER 906 HIS A 56