USER MOD reduce.3.24.130724 H: found=0, std=0, add=429, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 428 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 48 THR OG1 : rot 84:sc= 0.183 USER MOD Set 1.2: A 50 THR OG1 : rot 180:sc= 0.139 USER MOD Set 2.1: A 31 GLN : amide:sc= -0.578 K(o=0.16,f=-2.3!) USER MOD Set 2.2: A 33 TYR OH : rot -93:sc= 0.741 USER MOD Single : A 4 MET CE :methyl -156:sc= -0.127 (180deg=-1.07) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot 30:sc= -4.31! USER MOD Single : A 16 TYR OH : rot -171:sc= -0.64! 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 32 THR OG1 : rot -47:sc= 0.879 USER MOD Single : A 34 ASN : amide:sc= -0.357 X(o=-0.36,f=-0.46) USER MOD Single : A 35 ASN : amide:sc= -8.18! C(o=-8.2!,f=-22!) USER MOD Single : A 38 MET CE :methyl -141:sc= -0.305 (180deg=-1.78!) USER MOD Single : A 41 HIS : no HE2:sc= -2.94! C(o=-2.9!,f=-7.9!) USER MOD Single : A 43 ASN : amide:sc= -5.14! C(o=-5.1!,f=-6.1!) USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 49 ASN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 51 HIS :FLIP no HE2:sc= -0.52 F(o=-2.8,f=-0.52) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 41 N MET A 4 -15.657 -8.051 5.666 1.00 0.00 N ATOM 42 CA MET A 4 -16.639 -6.974 5.975 1.00 0.00 C ATOM 43 C MET A 4 -15.884 -5.739 6.462 1.00 0.00 C ATOM 44 O MET A 4 -16.317 -4.619 6.276 1.00 0.00 O ATOM 45 CB MET A 4 -17.599 -7.451 7.067 1.00 0.00 C ATOM 46 CG MET A 4 -18.408 -8.643 6.551 1.00 0.00 C ATOM 47 SD MET A 4 -19.644 -9.114 7.786 1.00 0.00 S ATOM 48 CE MET A 4 -18.492 -9.710 9.047 1.00 0.00 C ATOM 0 HA MET A 4 -17.210 -6.729 5.080 1.00 0.00 H new ATOM 0 HB2 MET A 4 -17.040 -7.736 7.958 1.00 0.00 H new ATOM 0 HB3 MET A 4 -18.269 -6.641 7.356 1.00 0.00 H new ATOM 0 HG2 MET A 4 -18.897 -8.385 5.612 1.00 0.00 H new ATOM 0 HG3 MET A 4 -17.746 -9.484 6.345 1.00 0.00 H new ATOM 0 HE1 MET A 4 -19.001 -10.420 9.698 1.00 0.00 H new ATOM 0 HE2 MET A 4 -17.647 -10.201 8.565 1.00 0.00 H new ATOM 0 HE3 MET A 4 -18.133 -8.868 9.639 1.00 0.00 H new ATOM 58 N CYS A 5 -14.749 -5.934 7.080 1.00 0.00 N ATOM 59 CA CYS A 5 -13.958 -4.773 7.575 1.00 0.00 C ATOM 60 C CYS A 5 -13.183 -4.163 6.405 1.00 0.00 C ATOM 61 O CYS A 5 -12.664 -3.069 6.490 1.00 0.00 O ATOM 62 CB CYS A 5 -12.971 -5.243 8.644 1.00 0.00 C ATOM 63 SG CYS A 5 -13.816 -6.333 9.807 1.00 0.00 S ATOM 0 H CYS A 5 -14.336 -6.849 7.263 1.00 0.00 H new ATOM 0 HA CYS A 5 -14.629 -4.029 8.005 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -12.137 -5.768 8.178 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -12.554 -4.385 9.171 1.00 0.00 H new ATOM 68 N LYS A 6 -13.101 -4.870 5.311 1.00 0.00 N ATOM 69 CA LYS A 6 -12.359 -4.343 4.133 1.00 0.00 C ATOM 70 C LYS A 6 -12.938 -2.989 3.722 1.00 0.00 C ATOM 71 O LYS A 6 -12.251 -2.154 3.167 1.00 0.00 O ATOM 72 CB LYS A 6 -12.494 -5.327 2.972 1.00 0.00 C ATOM 73 CG LYS A 6 -11.578 -6.527 3.218 1.00 0.00 C ATOM 74 CD LYS A 6 -11.435 -7.331 1.925 1.00 0.00 C ATOM 75 CE LYS A 6 -10.689 -8.634 2.218 1.00 0.00 C ATOM 76 NZ LYS A 6 -9.224 -8.365 2.278 1.00 0.00 N ATOM 0 H LYS A 6 -13.517 -5.792 5.183 1.00 0.00 H new ATOM 0 HA LYS A 6 -11.307 -4.221 4.392 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -13.528 -5.658 2.879 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -12.229 -4.839 2.034 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -10.600 -6.188 3.558 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -11.989 -7.157 4.007 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -12.418 -7.548 1.508 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -10.894 -6.749 1.179 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -11.031 -9.057 3.163 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -10.903 -9.370 1.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -8.716 -9.251 2.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -8.904 -7.980 1.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -9.028 -7.676 3.032 1.00 0.00 H new ATOM 90 N ASP A 7 -14.195 -2.764 3.983 1.00 0.00 N ATOM 91 CA ASP A 7 -14.809 -1.461 3.598 1.00 0.00 C ATOM 92 C ASP A 7 -15.920 -1.093 4.584 1.00 0.00 C ATOM 93 O ASP A 7 -17.070 -0.965 4.215 1.00 0.00 O ATOM 94 CB ASP A 7 -15.397 -1.572 2.189 1.00 0.00 C ATOM 95 CG ASP A 7 -14.262 -1.597 1.163 1.00 0.00 C ATOM 96 OD1 ASP A 7 -13.309 -0.857 1.343 1.00 0.00 O ATOM 97 OD2 ASP A 7 -14.366 -2.357 0.213 1.00 0.00 O ATOM 0 H ASP A 7 -14.823 -3.422 4.444 1.00 0.00 H new ATOM 0 HA ASP A 7 -14.043 -0.686 3.618 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -15.998 -2.477 2.104 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -16.060 -0.730 1.993 1.00 0.00 H new ATOM 102 N TYR A 8 -15.589 -0.914 5.835 1.00 0.00 N ATOM 103 CA TYR A 8 -16.633 -0.544 6.833 1.00 0.00 C ATOM 104 C TYR A 8 -16.252 0.782 7.498 1.00 0.00 C ATOM 105 O TYR A 8 -15.143 1.261 7.358 1.00 0.00 O ATOM 106 CB TYR A 8 -16.756 -1.654 7.888 1.00 0.00 C ATOM 107 CG TYR A 8 -15.685 -1.498 8.944 1.00 0.00 C ATOM 108 CD1 TYR A 8 -14.341 -1.714 8.617 1.00 0.00 C ATOM 109 CD2 TYR A 8 -16.037 -1.136 10.251 1.00 0.00 C ATOM 110 CE1 TYR A 8 -13.349 -1.569 9.595 1.00 0.00 C ATOM 111 CE2 TYR A 8 -15.046 -0.991 11.229 1.00 0.00 C ATOM 112 CZ TYR A 8 -13.703 -1.208 10.901 1.00 0.00 C ATOM 113 OH TYR A 8 -12.725 -1.065 11.865 1.00 0.00 O ATOM 0 H TYR A 8 -14.644 -1.008 6.208 1.00 0.00 H new ATOM 0 HA TYR A 8 -17.595 -0.428 6.333 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -17.742 -1.616 8.352 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -16.666 -2.630 7.411 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -14.069 -1.993 7.610 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -17.074 -0.969 10.504 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -12.312 -1.735 9.342 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -15.318 -0.712 12.236 1.00 0.00 H new ATOM 0 HH TYR A 8 -11.889 -0.776 11.443 1.00 0.00 H new ATOM 123 N ARG A 9 -17.158 1.378 8.224 1.00 0.00 N ATOM 124 CA ARG A 9 -16.841 2.669 8.895 1.00 0.00 C ATOM 125 C ARG A 9 -17.616 2.768 10.209 1.00 0.00 C ATOM 126 O ARG A 9 -18.705 2.246 10.342 1.00 0.00 O ATOM 127 CB ARG A 9 -17.240 3.831 7.983 1.00 0.00 C ATOM 128 CG ARG A 9 -16.632 5.129 8.519 1.00 0.00 C ATOM 129 CD ARG A 9 -17.038 6.293 7.613 1.00 0.00 C ATOM 130 NE ARG A 9 -16.569 7.575 8.211 1.00 0.00 N ATOM 131 CZ ARG A 9 -15.293 7.784 8.392 1.00 0.00 C ATOM 132 NH1 ARG A 9 -14.771 7.643 9.580 1.00 0.00 N ATOM 133 NH2 ARG A 9 -14.540 8.132 7.384 1.00 0.00 N ATOM 0 H ARG A 9 -18.103 1.027 8.381 1.00 0.00 H new ATOM 0 HA ARG A 9 -15.771 2.716 9.099 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -16.892 3.646 6.967 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -18.326 3.916 7.938 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -16.974 5.310 9.538 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -15.546 5.046 8.558 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -16.606 6.163 6.621 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -18.121 6.311 7.490 1.00 0.00 H new ATOM 0 HE ARG A 9 -17.245 8.290 8.479 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -15.360 7.370 10.367 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -13.774 7.806 9.722 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -14.949 8.240 6.456 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -13.543 8.295 7.525 1.00 0.00 H new ATOM 147 N VAL A 10 -17.062 3.438 11.182 1.00 0.00 N ATOM 148 CA VAL A 10 -17.765 3.575 12.488 1.00 0.00 C ATOM 149 C VAL A 10 -17.550 4.987 13.034 1.00 0.00 C ATOM 150 O VAL A 10 -16.454 5.510 13.019 1.00 0.00 O ATOM 151 CB VAL A 10 -17.203 2.554 13.480 1.00 0.00 C ATOM 152 CG1 VAL A 10 -17.878 2.741 14.839 1.00 0.00 C ATOM 153 CG2 VAL A 10 -17.475 1.139 12.966 1.00 0.00 C ATOM 0 H VAL A 10 -16.152 3.897 11.129 1.00 0.00 H new ATOM 0 HA VAL A 10 -18.831 3.396 12.348 1.00 0.00 H new ATOM 0 HB VAL A 10 -16.128 2.702 13.584 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -17.479 2.014 15.547 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -17.684 3.749 15.206 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -18.953 2.593 14.735 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -17.075 0.412 13.673 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -18.550 0.990 12.862 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -16.995 1.005 11.997 1.00 0.00 H new ATOM 163 N LEU A 11 -18.589 5.611 13.517 1.00 0.00 N ATOM 164 CA LEU A 11 -18.441 6.989 14.064 1.00 0.00 C ATOM 165 C LEU A 11 -18.868 7.001 15.532 1.00 0.00 C ATOM 166 O LEU A 11 -19.362 6.019 16.050 1.00 0.00 O ATOM 167 CB LEU A 11 -19.324 7.952 13.265 1.00 0.00 C ATOM 168 CG LEU A 11 -18.447 8.791 12.333 1.00 0.00 C ATOM 169 CD1 LEU A 11 -18.493 8.199 10.923 1.00 0.00 C ATOM 170 CD2 LEU A 11 -18.967 10.231 12.299 1.00 0.00 C ATOM 0 H LEU A 11 -19.533 5.227 13.556 1.00 0.00 H new ATOM 0 HA LEU A 11 -17.400 7.303 13.986 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -20.059 7.393 12.686 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -19.879 8.601 13.942 1.00 0.00 H new ATOM 0 HG LEU A 11 -17.420 8.785 12.698 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -17.869 8.795 10.257 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -18.123 7.174 10.946 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -19.520 8.205 10.559 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -18.342 10.828 11.635 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -19.994 10.238 11.934 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -18.936 10.653 13.304 1.00 0.00 H new ATOM 182 N PRO A 12 -18.674 8.139 16.215 1.00 0.00 N ATOM 183 CA PRO A 12 -19.040 8.285 17.629 1.00 0.00 C ATOM 184 C PRO A 12 -20.557 8.253 17.828 1.00 0.00 C ATOM 185 O PRO A 12 -21.047 7.930 18.892 1.00 0.00 O ATOM 186 CB PRO A 12 -18.490 9.662 18.000 1.00 0.00 C ATOM 187 CG PRO A 12 -18.432 10.399 16.705 1.00 0.00 C ATOM 188 CD PRO A 12 -18.085 9.374 15.666 1.00 0.00 C ATOM 0 HA PRO A 12 -18.644 7.475 18.242 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -19.137 10.168 18.717 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -17.504 9.586 18.458 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -19.388 10.874 16.482 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -17.683 11.190 16.739 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -18.507 9.626 14.693 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -17.007 9.283 15.532 1.00 0.00 H new ATOM 196 N ARG A 13 -21.304 8.585 16.811 1.00 0.00 N ATOM 197 CA ARG A 13 -22.788 8.574 16.940 1.00 0.00 C ATOM 198 C ARG A 13 -23.353 7.346 16.222 1.00 0.00 C ATOM 199 O ARG A 13 -24.407 6.848 16.560 1.00 0.00 O ATOM 200 CB ARG A 13 -23.365 9.842 16.309 1.00 0.00 C ATOM 201 CG ARG A 13 -22.935 11.061 17.128 1.00 0.00 C ATOM 202 CD ARG A 13 -23.585 12.318 16.547 1.00 0.00 C ATOM 203 NE ARG A 13 -22.973 13.527 17.167 1.00 0.00 N ATOM 204 CZ ARG A 13 -23.377 14.716 16.815 1.00 0.00 C ATOM 205 NH1 ARG A 13 -22.549 15.542 16.234 1.00 0.00 N ATOM 206 NH2 ARG A 13 -24.609 15.080 17.042 1.00 0.00 N ATOM 0 H ARG A 13 -20.950 8.864 15.896 1.00 0.00 H new ATOM 0 HA ARG A 13 -23.060 8.537 17.995 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -23.017 9.940 15.281 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -24.453 9.780 16.273 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -23.229 10.935 18.170 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -21.850 11.159 17.112 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -23.450 12.343 15.466 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -24.659 12.304 16.734 1.00 0.00 H new ATOM 0 HE ARG A 13 -22.238 13.425 17.867 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -21.586 15.257 16.055 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -22.865 16.472 15.959 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -25.256 14.435 17.495 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -24.925 16.010 16.767 1.00 0.00 H new ATOM 220 N ILE A 14 -22.659 6.855 15.231 1.00 0.00 N ATOM 221 CA ILE A 14 -23.159 5.661 14.493 1.00 0.00 C ATOM 222 C ILE A 14 -22.707 4.389 15.213 1.00 0.00 C ATOM 223 O ILE A 14 -23.471 3.460 15.391 1.00 0.00 O ATOM 224 CB ILE A 14 -22.595 5.667 13.070 1.00 0.00 C ATOM 225 CG1 ILE A 14 -23.096 6.908 12.327 1.00 0.00 C ATOM 226 CG2 ILE A 14 -23.058 4.409 12.333 1.00 0.00 C ATOM 227 CD1 ILE A 14 -22.319 7.067 11.018 1.00 0.00 C ATOM 0 H ILE A 14 -21.769 7.229 14.901 1.00 0.00 H new ATOM 0 HA ILE A 14 -24.248 5.690 14.453 1.00 0.00 H new ATOM 0 HB ILE A 14 -21.506 5.684 13.111 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -24.162 6.816 12.121 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -22.967 7.794 12.949 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -22.657 4.413 11.320 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -22.701 3.525 12.862 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -24.147 4.391 12.292 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -22.675 7.951 10.488 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -21.257 7.179 11.237 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -22.471 6.185 10.395 1.00 0.00 H new ATOM 239 N GLY A 15 -21.470 4.336 15.626 1.00 0.00 N ATOM 240 CA GLY A 15 -20.972 3.122 16.333 1.00 0.00 C ATOM 241 C GLY A 15 -20.781 1.989 15.323 1.00 0.00 C ATOM 242 O GLY A 15 -20.651 2.217 14.137 1.00 0.00 O ATOM 0 H GLY A 15 -20.783 5.080 15.505 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -20.029 3.340 16.834 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -21.680 2.821 17.105 1.00 0.00 H new ATOM 246 N TYR A 16 -20.767 0.768 15.784 1.00 0.00 N ATOM 247 CA TYR A 16 -20.589 -0.376 14.848 1.00 0.00 C ATOM 248 C TYR A 16 -21.953 -1.000 14.545 1.00 0.00 C ATOM 249 O TYR A 16 -22.883 -0.885 15.318 1.00 0.00 O ATOM 250 CB TYR A 16 -19.677 -1.424 15.488 1.00 0.00 C ATOM 251 CG TYR A 16 -18.879 -2.120 14.411 1.00 0.00 C ATOM 252 CD1 TYR A 16 -19.509 -3.027 13.551 1.00 0.00 C ATOM 253 CD2 TYR A 16 -17.512 -1.858 14.272 1.00 0.00 C ATOM 254 CE1 TYR A 16 -18.771 -3.671 12.550 1.00 0.00 C ATOM 255 CE2 TYR A 16 -16.774 -2.502 13.272 1.00 0.00 C ATOM 256 CZ TYR A 16 -17.403 -3.409 12.411 1.00 0.00 C ATOM 257 OH TYR A 16 -16.676 -4.042 11.425 1.00 0.00 O ATOM 0 H TYR A 16 -20.871 0.514 16.766 1.00 0.00 H new ATOM 0 HA TYR A 16 -20.137 -0.022 13.922 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -19.006 -0.949 16.204 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -20.272 -2.150 16.042 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -20.564 -3.230 13.659 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -17.026 -1.159 14.936 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -19.257 -4.370 11.885 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -15.719 -2.299 13.165 1.00 0.00 H new ATOM 0 HH TYR A 16 -15.722 -3.860 11.554 1.00 0.00 H new ATOM 267 N LEU A 17 -22.083 -1.652 13.423 1.00 0.00 N ATOM 268 CA LEU A 17 -23.390 -2.274 13.070 1.00 0.00 C ATOM 269 C LEU A 17 -23.251 -3.799 13.044 1.00 0.00 C ATOM 270 O LEU A 17 -22.474 -4.348 12.289 1.00 0.00 O ATOM 271 CB LEU A 17 -23.826 -1.776 11.690 1.00 0.00 C ATOM 272 CG LEU A 17 -25.216 -2.323 11.361 1.00 0.00 C ATOM 273 CD1 LEU A 17 -26.260 -1.627 12.234 1.00 0.00 C ATOM 274 CD2 LEU A 17 -25.527 -2.058 9.886 1.00 0.00 C ATOM 0 H LEU A 17 -21.341 -1.781 12.735 1.00 0.00 H new ATOM 0 HA LEU A 17 -24.136 -1.998 13.815 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -23.840 -0.686 11.674 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -23.110 -2.097 10.934 1.00 0.00 H new ATOM 0 HG LEU A 17 -25.241 -3.395 11.554 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -27.250 -2.018 11.999 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -26.037 -1.812 13.285 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -26.238 -0.554 12.042 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -26.517 -2.446 9.647 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -25.503 -0.985 9.696 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -24.783 -2.554 9.263 1.00 0.00 H new ATOM 286 N CYS A 18 -24.002 -4.487 13.863 1.00 0.00 N ATOM 287 CA CYS A 18 -23.918 -5.976 13.887 1.00 0.00 C ATOM 288 C CYS A 18 -25.327 -6.562 14.005 1.00 0.00 C ATOM 289 O CYS A 18 -26.239 -5.915 14.481 1.00 0.00 O ATOM 290 CB CYS A 18 -23.079 -6.423 15.084 1.00 0.00 C ATOM 291 SG CYS A 18 -21.431 -5.686 14.965 1.00 0.00 S ATOM 0 H CYS A 18 -24.671 -4.081 14.517 1.00 0.00 H new ATOM 0 HA CYS A 18 -23.451 -6.328 12.967 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -23.560 -6.119 16.014 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -23.003 -7.510 15.105 1.00 0.00 H new ATOM 296 N PRO A 19 -25.501 -7.814 13.560 1.00 0.00 N ATOM 297 CA PRO A 19 -26.797 -8.500 13.611 1.00 0.00 C ATOM 298 C PRO A 19 -27.179 -8.879 15.044 1.00 0.00 C ATOM 299 O PRO A 19 -26.375 -8.801 15.952 1.00 0.00 O ATOM 300 CB PRO A 19 -26.566 -9.763 12.784 1.00 0.00 C ATOM 301 CG PRO A 19 -25.097 -10.008 12.868 1.00 0.00 C ATOM 302 CD PRO A 19 -24.445 -8.657 12.974 1.00 0.00 C ATOM 0 HA PRO A 19 -27.608 -7.873 13.239 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -27.131 -10.606 13.182 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -26.886 -9.624 11.751 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -24.855 -10.625 13.734 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -24.742 -10.542 11.987 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -23.558 -8.687 13.606 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -24.129 -8.286 11.999 1.00 0.00 H new ATOM 310 N LYS A 20 -28.398 -9.289 15.256 1.00 0.00 N ATOM 311 CA LYS A 20 -28.825 -9.672 16.631 1.00 0.00 C ATOM 312 C LYS A 20 -28.554 -11.163 16.850 1.00 0.00 C ATOM 313 O LYS A 20 -28.600 -11.655 17.961 1.00 0.00 O ATOM 314 CB LYS A 20 -30.319 -9.391 16.799 1.00 0.00 C ATOM 315 CG LYS A 20 -30.585 -7.903 16.560 1.00 0.00 C ATOM 316 CD LYS A 20 -32.074 -7.612 16.754 1.00 0.00 C ATOM 317 CE LYS A 20 -32.358 -6.149 16.409 1.00 0.00 C ATOM 318 NZ LYS A 20 -33.137 -5.519 17.512 1.00 0.00 N ATOM 0 H LYS A 20 -29.117 -9.376 14.538 1.00 0.00 H new ATOM 0 HA LYS A 20 -28.265 -9.090 17.363 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -30.895 -9.992 16.096 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -30.643 -9.674 17.800 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -29.993 -7.302 17.250 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -30.278 -7.625 15.552 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -32.669 -8.268 16.119 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -32.364 -7.816 17.785 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -31.422 -5.612 16.258 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -32.915 -6.087 15.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -33.330 -4.524 17.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -34.037 -6.026 17.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -32.589 -5.566 18.395 1.00 0.00 H new ATOM 332 N ASP A 21 -28.267 -11.884 15.801 1.00 0.00 N ATOM 333 CA ASP A 21 -27.987 -13.340 15.953 1.00 0.00 C ATOM 334 C ASP A 21 -26.621 -13.523 16.616 1.00 0.00 C ATOM 335 O ASP A 21 -25.647 -12.910 16.229 1.00 0.00 O ATOM 336 CB ASP A 21 -27.979 -14.005 14.574 1.00 0.00 C ATOM 337 CG ASP A 21 -29.330 -13.781 13.892 1.00 0.00 C ATOM 338 OD1 ASP A 21 -30.254 -13.367 14.573 1.00 0.00 O ATOM 339 OD2 ASP A 21 -29.417 -14.025 12.700 1.00 0.00 O ATOM 0 H ASP A 21 -28.214 -11.529 14.846 1.00 0.00 H new ATOM 0 HA ASP A 21 -28.759 -13.799 16.571 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -27.178 -13.590 13.963 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -27.783 -15.072 14.674 1.00 0.00 H new ATOM 344 N LEU A 22 -26.542 -14.356 17.618 1.00 0.00 N ATOM 345 CA LEU A 22 -25.237 -14.566 18.304 1.00 0.00 C ATOM 346 C LEU A 22 -24.495 -15.738 17.659 1.00 0.00 C ATOM 347 O LEU A 22 -24.921 -16.874 17.731 1.00 0.00 O ATOM 348 CB LEU A 22 -25.478 -14.875 19.783 1.00 0.00 C ATOM 349 CG LEU A 22 -24.134 -15.109 20.476 1.00 0.00 C ATOM 350 CD1 LEU A 22 -23.198 -13.934 20.188 1.00 0.00 C ATOM 351 CD2 LEU A 22 -24.352 -15.229 21.986 1.00 0.00 C ATOM 0 H LEU A 22 -27.322 -14.898 17.990 1.00 0.00 H new ATOM 0 HA LEU A 22 -24.637 -13.661 18.212 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -26.006 -14.048 20.258 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -26.111 -15.757 19.884 1.00 0.00 H new ATOM 0 HG LEU A 22 -23.688 -16.029 20.099 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -22.241 -14.102 20.682 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -23.041 -13.849 19.113 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -23.644 -13.013 20.564 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -23.395 -15.396 22.480 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -24.800 -14.309 22.363 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -25.017 -16.067 22.192 1.00 0.00 H new ATOM 363 N LYS A 23 -23.382 -15.469 17.034 1.00 0.00 N ATOM 364 CA LYS A 23 -22.604 -16.563 16.391 1.00 0.00 C ATOM 365 C LYS A 23 -21.161 -16.507 16.895 1.00 0.00 C ATOM 366 O LYS A 23 -20.400 -15.633 16.531 1.00 0.00 O ATOM 367 CB LYS A 23 -22.635 -16.387 14.872 1.00 0.00 C ATOM 368 CG LYS A 23 -23.799 -17.190 14.298 1.00 0.00 C ATOM 369 CD LYS A 23 -23.312 -18.582 13.896 1.00 0.00 C ATOM 370 CE LYS A 23 -24.468 -19.578 14.005 1.00 0.00 C ATOM 371 NZ LYS A 23 -24.104 -20.659 14.963 1.00 0.00 N ATOM 0 H LYS A 23 -22.978 -14.537 16.941 1.00 0.00 H new ATOM 0 HA LYS A 23 -23.040 -17.529 16.643 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -22.745 -15.333 14.618 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -21.695 -16.724 14.435 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -24.597 -17.272 15.036 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -24.217 -16.676 13.433 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -22.928 -18.564 12.876 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -22.489 -18.891 14.541 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -25.371 -19.068 14.341 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -24.689 -20.004 13.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -24.890 -21.336 15.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -23.253 -21.152 14.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -23.914 -20.245 15.898 1.00 0.00 H new ATOM 385 N PRO A 24 -20.787 -17.460 17.760 1.00 0.00 N ATOM 386 CA PRO A 24 -19.437 -17.525 18.340 1.00 0.00 C ATOM 387 C PRO A 24 -18.371 -17.819 17.286 1.00 0.00 C ATOM 388 O PRO A 24 -18.399 -18.837 16.626 1.00 0.00 O ATOM 389 CB PRO A 24 -19.533 -18.685 19.333 1.00 0.00 C ATOM 390 CG PRO A 24 -20.650 -19.524 18.815 1.00 0.00 C ATOM 391 CD PRO A 24 -21.644 -18.559 18.237 1.00 0.00 C ATOM 0 HA PRO A 24 -19.142 -16.579 18.794 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -18.601 -19.248 19.378 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -19.739 -18.328 20.342 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -20.296 -20.223 18.057 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -21.097 -20.117 19.613 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -22.218 -19.006 17.426 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -22.360 -18.219 18.985 1.00 0.00 H new ATOM 399 N VAL A 25 -17.428 -16.932 17.122 1.00 0.00 N ATOM 400 CA VAL A 25 -16.357 -17.165 16.113 1.00 0.00 C ATOM 401 C VAL A 25 -15.006 -17.265 16.817 1.00 0.00 C ATOM 402 O VAL A 25 -14.800 -16.699 17.871 1.00 0.00 O ATOM 403 CB VAL A 25 -16.313 -15.997 15.128 1.00 0.00 C ATOM 404 CG1 VAL A 25 -17.589 -15.979 14.286 1.00 0.00 C ATOM 405 CG2 VAL A 25 -16.197 -14.684 15.905 1.00 0.00 C ATOM 0 H VAL A 25 -17.353 -16.058 17.642 1.00 0.00 H new ATOM 0 HA VAL A 25 -16.568 -18.091 15.578 1.00 0.00 H new ATOM 0 HB VAL A 25 -15.452 -16.113 14.470 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -17.551 -15.144 13.586 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -17.672 -16.914 13.732 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -18.454 -15.866 14.939 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -16.165 -13.849 15.205 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -17.059 -14.573 16.563 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -15.284 -14.693 16.501 1.00 0.00 H new ATOM 415 N CYS A 26 -14.078 -17.967 16.231 1.00 0.00 N ATOM 416 CA CYS A 26 -12.733 -18.083 16.857 1.00 0.00 C ATOM 417 C CYS A 26 -11.808 -17.051 16.209 1.00 0.00 C ATOM 418 O CYS A 26 -11.892 -16.790 15.026 1.00 0.00 O ATOM 419 CB CYS A 26 -12.177 -19.495 16.643 1.00 0.00 C ATOM 420 SG CYS A 26 -10.533 -19.617 17.389 1.00 0.00 S ATOM 0 H CYS A 26 -14.192 -18.464 15.348 1.00 0.00 H new ATOM 0 HA CYS A 26 -12.802 -17.899 17.929 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -12.846 -20.232 17.088 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -12.122 -19.718 15.577 1.00 0.00 H new ATOM 425 N GLY A 27 -10.943 -16.448 16.972 1.00 0.00 N ATOM 426 CA GLY A 27 -10.034 -15.418 16.394 1.00 0.00 C ATOM 427 C GLY A 27 -8.708 -16.058 15.986 1.00 0.00 C ATOM 428 O GLY A 27 -8.177 -16.907 16.673 1.00 0.00 O ATOM 0 H GLY A 27 -10.825 -16.622 17.970 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -10.504 -14.952 15.528 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -9.856 -14.628 17.124 1.00 0.00 H new ATOM 432 N ASP A 28 -8.163 -15.648 14.870 1.00 0.00 N ATOM 433 CA ASP A 28 -6.866 -16.226 14.420 1.00 0.00 C ATOM 434 C ASP A 28 -5.760 -15.797 15.386 1.00 0.00 C ATOM 435 O ASP A 28 -4.653 -16.294 15.339 1.00 0.00 O ATOM 436 CB ASP A 28 -6.542 -15.722 13.013 1.00 0.00 C ATOM 437 CG ASP A 28 -6.449 -14.195 13.024 1.00 0.00 C ATOM 438 OD1 ASP A 28 -6.464 -13.629 14.105 1.00 0.00 O ATOM 439 OD2 ASP A 28 -6.365 -13.618 11.953 1.00 0.00 O ATOM 0 H ASP A 28 -8.560 -14.939 14.253 1.00 0.00 H new ATOM 0 HA ASP A 28 -6.936 -17.314 14.405 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -5.601 -16.151 12.670 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -7.313 -16.044 12.314 1.00 0.00 H new ATOM 444 N ASP A 29 -6.052 -14.876 16.265 1.00 0.00 N ATOM 445 CA ASP A 29 -5.019 -14.417 17.235 1.00 0.00 C ATOM 446 C ASP A 29 -5.086 -15.280 18.499 1.00 0.00 C ATOM 447 O ASP A 29 -4.408 -15.022 19.475 1.00 0.00 O ATOM 448 CB ASP A 29 -5.280 -12.956 17.604 1.00 0.00 C ATOM 449 CG ASP A 29 -6.652 -12.835 18.270 1.00 0.00 C ATOM 450 OD1 ASP A 29 -7.250 -13.864 18.541 1.00 0.00 O ATOM 451 OD2 ASP A 29 -7.081 -11.716 18.499 1.00 0.00 O ATOM 0 H ASP A 29 -6.961 -14.422 16.352 1.00 0.00 H new ATOM 0 HA ASP A 29 -4.031 -14.508 16.783 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -4.503 -12.596 18.279 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -5.241 -12.332 16.711 1.00 0.00 H new ATOM 456 N GLY A 30 -5.898 -16.302 18.492 1.00 0.00 N ATOM 457 CA GLY A 30 -6.007 -17.177 19.694 1.00 0.00 C ATOM 458 C GLY A 30 -7.108 -16.641 20.612 1.00 0.00 C ATOM 459 O GLY A 30 -7.203 -17.011 21.766 1.00 0.00 O ATOM 0 H GLY A 30 -6.491 -16.569 17.706 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -6.234 -18.200 19.394 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -5.056 -17.204 20.226 1.00 0.00 H new ATOM 463 N GLN A 31 -7.941 -15.773 20.106 1.00 0.00 N ATOM 464 CA GLN A 31 -9.036 -15.212 20.945 1.00 0.00 C ATOM 465 C GLN A 31 -10.386 -15.662 20.385 1.00 0.00 C ATOM 466 O GLN A 31 -10.455 -16.352 19.388 1.00 0.00 O ATOM 467 CB GLN A 31 -8.959 -13.684 20.922 1.00 0.00 C ATOM 468 CG GLN A 31 -7.798 -13.220 21.803 1.00 0.00 C ATOM 469 CD GLN A 31 -7.607 -11.710 21.641 1.00 0.00 C ATOM 470 OE1 GLN A 31 -8.327 -11.070 20.902 1.00 0.00 O ATOM 471 NE2 GLN A 31 -6.658 -11.110 22.308 1.00 0.00 N ATOM 0 H GLN A 31 -7.910 -15.428 19.147 1.00 0.00 H new ATOM 0 HA GLN A 31 -8.931 -15.568 21.970 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -8.818 -13.331 19.900 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -9.895 -13.256 21.280 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -8.000 -13.462 22.846 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -6.884 -13.745 21.525 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -6.053 -11.647 22.929 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -6.522 -10.104 22.208 1.00 0.00 H new ATOM 480 N THR A 32 -11.461 -15.277 21.016 1.00 0.00 N ATOM 481 CA THR A 32 -12.805 -15.683 20.514 1.00 0.00 C ATOM 482 C THR A 32 -13.780 -14.517 20.678 1.00 0.00 C ATOM 483 O THR A 32 -13.707 -13.761 21.625 1.00 0.00 O ATOM 484 CB THR A 32 -13.312 -16.884 21.316 1.00 0.00 C ATOM 485 OG1 THR A 32 -12.328 -17.909 21.303 1.00 0.00 O ATOM 486 CG2 THR A 32 -14.605 -17.404 20.687 1.00 0.00 C ATOM 0 H THR A 32 -11.467 -14.699 21.857 1.00 0.00 H new ATOM 0 HA THR A 32 -12.731 -15.955 19.461 1.00 0.00 H new ATOM 0 HB THR A 32 -13.506 -16.582 22.345 1.00 0.00 H new ATOM 0 HG1 THR A 32 -12.001 -18.037 20.388 1.00 0.00 H new ATOM 0 HG21 THR A 32 -14.968 -18.260 21.256 1.00 0.00 H new ATOM 0 HG22 THR A 32 -15.357 -16.615 20.697 1.00 0.00 H new ATOM 0 HG23 THR A 32 -14.412 -17.708 19.658 1.00 0.00 H new ATOM 494 N TYR A 33 -14.693 -14.366 19.761 1.00 0.00 N ATOM 495 CA TYR A 33 -15.671 -13.250 19.863 1.00 0.00 C ATOM 496 C TYR A 33 -17.091 -13.817 19.816 1.00 0.00 C ATOM 497 O TYR A 33 -17.445 -14.559 18.922 1.00 0.00 O ATOM 498 CB TYR A 33 -15.459 -12.283 18.697 1.00 0.00 C ATOM 499 CG TYR A 33 -14.009 -11.857 18.665 1.00 0.00 C ATOM 500 CD1 TYR A 33 -13.032 -12.739 18.188 1.00 0.00 C ATOM 501 CD2 TYR A 33 -13.642 -10.582 19.116 1.00 0.00 C ATOM 502 CE1 TYR A 33 -11.687 -12.347 18.163 1.00 0.00 C ATOM 503 CE2 TYR A 33 -12.297 -10.191 19.089 1.00 0.00 C ATOM 504 CZ TYR A 33 -11.320 -11.073 18.613 1.00 0.00 C ATOM 505 OH TYR A 33 -9.995 -10.688 18.588 1.00 0.00 O ATOM 0 H TYR A 33 -14.804 -14.968 18.945 1.00 0.00 H new ATOM 0 HA TYR A 33 -15.527 -12.717 20.803 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -15.731 -12.763 17.757 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -16.104 -11.412 18.809 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -13.315 -13.721 17.839 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -14.395 -9.901 19.484 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -10.933 -13.028 17.796 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -12.014 -9.208 19.436 1.00 0.00 H new ATOM 0 HH TYR A 33 -9.580 -10.889 19.453 1.00 0.00 H new ATOM 515 N ASN A 34 -17.903 -13.482 20.780 1.00 0.00 N ATOM 516 CA ASN A 34 -19.296 -14.010 20.799 1.00 0.00 C ATOM 517 C ASN A 34 -19.939 -13.823 19.421 1.00 0.00 C ATOM 518 O ASN A 34 -20.034 -14.749 18.643 1.00 0.00 O ATOM 519 CB ASN A 34 -20.113 -13.273 21.867 1.00 0.00 C ATOM 520 CG ASN A 34 -19.258 -13.079 23.120 1.00 0.00 C ATOM 521 OD1 ASN A 34 -18.626 -14.005 23.589 1.00 0.00 O ATOM 522 ND2 ASN A 34 -19.213 -11.905 23.687 1.00 0.00 N ATOM 0 H ASN A 34 -17.662 -12.865 21.556 1.00 0.00 H new ATOM 0 HA ASN A 34 -19.277 -15.073 21.039 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -20.442 -12.307 21.485 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -21.010 -13.842 22.111 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -18.647 -11.764 24.524 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -19.743 -11.128 23.293 1.00 0.00 H new ATOM 529 N ASN A 35 -20.383 -12.639 19.110 1.00 0.00 N ATOM 530 CA ASN A 35 -21.017 -12.404 17.781 1.00 0.00 C ATOM 531 C ASN A 35 -19.926 -12.195 16.727 1.00 0.00 C ATOM 532 O ASN A 35 -18.870 -11.666 17.014 1.00 0.00 O ATOM 533 CB ASN A 35 -21.911 -11.163 17.872 1.00 0.00 C ATOM 534 CG ASN A 35 -22.323 -10.705 16.474 1.00 0.00 C ATOM 535 OD1 ASN A 35 -21.485 -10.425 15.644 1.00 0.00 O ATOM 536 ND2 ASN A 35 -23.591 -10.617 16.180 1.00 0.00 N ATOM 0 H ASN A 35 -20.335 -11.822 19.718 1.00 0.00 H new ATOM 0 HA ASN A 35 -21.622 -13.265 17.495 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -22.798 -11.387 18.465 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -21.380 -10.360 18.384 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -23.879 -10.312 15.250 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -24.294 -10.853 16.880 1.00 0.00 H new ATOM 543 N PRO A 36 -20.190 -12.620 15.481 1.00 0.00 N ATOM 544 CA PRO A 36 -19.234 -12.484 14.372 1.00 0.00 C ATOM 545 C PRO A 36 -18.942 -11.018 14.046 1.00 0.00 C ATOM 546 O PRO A 36 -17.803 -10.595 14.030 1.00 0.00 O ATOM 547 CB PRO A 36 -19.944 -13.167 13.202 1.00 0.00 C ATOM 548 CG PRO A 36 -21.388 -13.086 13.556 1.00 0.00 C ATOM 549 CD PRO A 36 -21.438 -13.264 15.045 1.00 0.00 C ATOM 0 HA PRO A 36 -18.265 -12.924 14.607 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -19.736 -12.661 12.259 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -19.619 -14.201 13.087 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -21.813 -12.127 13.259 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -21.962 -13.860 13.047 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -22.315 -12.787 15.482 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -21.473 -14.316 15.328 1.00 0.00 H new ATOM 557 N CYS A 37 -19.954 -10.230 13.804 1.00 0.00 N ATOM 558 CA CYS A 37 -19.703 -8.795 13.505 1.00 0.00 C ATOM 559 C CYS A 37 -19.059 -8.158 14.736 1.00 0.00 C ATOM 560 O CYS A 37 -18.338 -7.185 14.643 1.00 0.00 O ATOM 561 CB CYS A 37 -21.024 -8.091 13.188 1.00 0.00 C ATOM 562 SG CYS A 37 -20.760 -6.300 13.164 1.00 0.00 S ATOM 0 H CYS A 37 -20.933 -10.515 13.801 1.00 0.00 H new ATOM 0 HA CYS A 37 -19.044 -8.700 12.642 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -21.405 -8.426 12.224 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -21.775 -8.349 13.935 1.00 0.00 H new ATOM 567 N MET A 38 -19.308 -8.716 15.890 1.00 0.00 N ATOM 568 CA MET A 38 -18.703 -8.164 17.132 1.00 0.00 C ATOM 569 C MET A 38 -17.192 -8.387 17.084 1.00 0.00 C ATOM 570 O MET A 38 -16.442 -7.817 17.853 1.00 0.00 O ATOM 571 CB MET A 38 -19.292 -8.881 18.349 1.00 0.00 C ATOM 572 CG MET A 38 -20.538 -8.134 18.825 1.00 0.00 C ATOM 573 SD MET A 38 -20.055 -6.518 19.483 1.00 0.00 S ATOM 574 CE MET A 38 -19.091 -7.126 20.887 1.00 0.00 C ATOM 0 H MET A 38 -19.906 -9.532 16.024 1.00 0.00 H new ATOM 0 HA MET A 38 -18.916 -7.098 17.209 1.00 0.00 H new ATOM 0 HB2 MET A 38 -19.547 -9.909 18.091 1.00 0.00 H new ATOM 0 HB3 MET A 38 -18.554 -8.927 19.150 1.00 0.00 H new ATOM 0 HG2 MET A 38 -21.238 -8.008 17.999 1.00 0.00 H new ATOM 0 HG3 MET A 38 -21.052 -8.713 19.593 1.00 0.00 H new ATOM 0 HE1 MET A 38 -19.267 -6.488 21.753 1.00 0.00 H new ATOM 0 HE2 MET A 38 -19.393 -8.147 21.121 1.00 0.00 H new ATOM 0 HE3 MET A 38 -18.031 -7.111 20.634 1.00 0.00 H new ATOM 584 N LEU A 39 -16.738 -9.207 16.173 1.00 0.00 N ATOM 585 CA LEU A 39 -15.279 -9.464 16.057 1.00 0.00 C ATOM 586 C LEU A 39 -14.607 -8.207 15.514 1.00 0.00 C ATOM 587 O LEU A 39 -13.731 -7.641 16.137 1.00 0.00 O ATOM 588 CB LEU A 39 -15.052 -10.636 15.097 1.00 0.00 C ATOM 589 CG LEU A 39 -13.582 -10.685 14.675 1.00 0.00 C ATOM 590 CD1 LEU A 39 -12.723 -11.131 15.858 1.00 0.00 C ATOM 591 CD2 LEU A 39 -13.418 -11.679 13.524 1.00 0.00 C ATOM 0 H LEU A 39 -17.320 -9.710 15.503 1.00 0.00 H new ATOM 0 HA LEU A 39 -14.856 -9.714 17.030 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -15.332 -11.572 15.579 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -15.688 -10.527 14.219 1.00 0.00 H new ATOM 0 HG LEU A 39 -13.264 -9.694 14.351 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -11.676 -11.165 15.555 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -12.840 -10.424 16.680 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -13.039 -12.122 16.184 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -12.371 -11.716 13.221 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -13.736 -12.669 13.850 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -14.029 -11.361 12.679 1.00 0.00 H new ATOM 603 N CYS A 40 -15.023 -7.752 14.366 1.00 0.00 N ATOM 604 CA CYS A 40 -14.417 -6.517 13.801 1.00 0.00 C ATOM 605 C CYS A 40 -14.566 -5.398 14.829 1.00 0.00 C ATOM 606 O CYS A 40 -13.778 -4.475 14.878 1.00 0.00 O ATOM 607 CB CYS A 40 -15.131 -6.138 12.506 1.00 0.00 C ATOM 608 SG CYS A 40 -14.002 -5.196 11.460 1.00 0.00 S ATOM 0 H CYS A 40 -15.753 -8.180 13.797 1.00 0.00 H new ATOM 0 HA CYS A 40 -13.362 -6.680 13.579 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -15.465 -7.035 11.985 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -16.020 -5.547 12.726 1.00 0.00 H new ATOM 613 N HIS A 41 -15.564 -5.487 15.666 1.00 0.00 N ATOM 614 CA HIS A 41 -15.755 -4.443 16.709 1.00 0.00 C ATOM 615 C HIS A 41 -14.536 -4.457 17.626 1.00 0.00 C ATOM 616 O HIS A 41 -13.825 -3.480 17.751 1.00 0.00 O ATOM 617 CB HIS A 41 -17.009 -4.760 17.524 1.00 0.00 C ATOM 618 CG HIS A 41 -17.489 -3.513 18.215 1.00 0.00 C ATOM 619 ND1 HIS A 41 -17.773 -2.347 17.523 1.00 0.00 N ATOM 620 CD2 HIS A 41 -17.738 -3.233 19.536 1.00 0.00 C ATOM 621 CE1 HIS A 41 -18.170 -1.427 18.420 1.00 0.00 C ATOM 622 NE2 HIS A 41 -18.168 -1.916 19.663 1.00 0.00 N ATOM 0 H HIS A 41 -16.254 -6.238 15.671 1.00 0.00 H new ATOM 0 HA HIS A 41 -15.869 -3.463 16.246 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -17.790 -5.150 16.872 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -16.791 -5.535 18.259 1.00 0.00 H new ATOM 0 HD1 HIS A 41 -17.695 -2.211 16.515 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -17.618 -3.930 20.353 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -18.455 -0.417 18.166 1.00 0.00 H new ATOM 630 N GLU A 42 -14.277 -5.571 18.256 1.00 0.00 N ATOM 631 CA GLU A 42 -13.091 -5.658 19.145 1.00 0.00 C ATOM 632 C GLU A 42 -11.850 -5.342 18.314 1.00 0.00 C ATOM 633 O GLU A 42 -10.826 -4.934 18.826 1.00 0.00 O ATOM 634 CB GLU A 42 -12.980 -7.074 19.712 1.00 0.00 C ATOM 635 CG GLU A 42 -14.080 -7.294 20.751 1.00 0.00 C ATOM 636 CD GLU A 42 -13.768 -8.551 21.566 1.00 0.00 C ATOM 637 OE1 GLU A 42 -12.610 -8.930 21.612 1.00 0.00 O ATOM 638 OE2 GLU A 42 -14.695 -9.113 22.128 1.00 0.00 O ATOM 0 H GLU A 42 -14.836 -6.421 18.192 1.00 0.00 H new ATOM 0 HA GLU A 42 -13.184 -4.952 19.970 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -13.071 -7.807 18.910 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -12.000 -7.219 20.167 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -14.151 -6.429 21.410 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -15.046 -7.398 20.257 1.00 0.00 H new ATOM 645 N ASN A 43 -11.945 -5.521 17.024 1.00 0.00 N ATOM 646 CA ASN A 43 -10.785 -5.228 16.140 1.00 0.00 C ATOM 647 C ASN A 43 -10.707 -3.719 15.910 1.00 0.00 C ATOM 648 O ASN A 43 -9.650 -3.169 15.681 1.00 0.00 O ATOM 649 CB ASN A 43 -10.970 -5.941 14.800 1.00 0.00 C ATOM 650 CG ASN A 43 -10.927 -7.453 15.018 1.00 0.00 C ATOM 651 OD1 ASN A 43 -10.360 -7.924 15.985 1.00 0.00 O ATOM 652 ND2 ASN A 43 -11.505 -8.242 14.154 1.00 0.00 N ATOM 0 H ASN A 43 -12.780 -5.859 16.545 1.00 0.00 H new ATOM 0 HA ASN A 43 -9.865 -5.579 16.608 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -11.921 -5.654 14.352 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -10.186 -5.641 14.105 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -11.481 -9.253 14.290 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -11.981 -7.848 13.342 1.00 0.00 H new ATOM 659 N LEU A 44 -11.821 -3.045 15.978 1.00 0.00 N ATOM 660 CA LEU A 44 -11.812 -1.572 15.775 1.00 0.00 C ATOM 661 C LEU A 44 -11.131 -0.917 16.978 1.00 0.00 C ATOM 662 O LEU A 44 -10.501 0.115 16.865 1.00 0.00 O ATOM 663 CB LEU A 44 -13.250 -1.066 15.653 1.00 0.00 C ATOM 664 CG LEU A 44 -13.244 0.427 15.319 1.00 0.00 C ATOM 665 CD1 LEU A 44 -12.743 0.630 13.888 1.00 0.00 C ATOM 666 CD2 LEU A 44 -14.665 0.980 15.445 1.00 0.00 C ATOM 0 H LEU A 44 -12.737 -3.452 16.166 1.00 0.00 H new ATOM 0 HA LEU A 44 -11.270 -1.322 14.863 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -13.776 -1.620 14.876 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -13.787 -1.238 16.586 1.00 0.00 H new ATOM 0 HG LEU A 44 -12.585 0.952 16.011 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -12.739 1.694 13.651 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -11.731 0.234 13.797 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -13.401 0.106 13.194 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -14.664 2.044 15.208 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -15.323 0.454 14.753 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -15.022 0.836 16.465 1.00 0.00 H new ATOM 678 N ILE A 45 -11.250 -1.520 18.129 1.00 0.00 N ATOM 679 CA ILE A 45 -10.605 -0.949 19.342 1.00 0.00 C ATOM 680 C ILE A 45 -9.123 -1.325 19.345 1.00 0.00 C ATOM 681 O ILE A 45 -8.263 -0.499 19.580 1.00 0.00 O ATOM 682 CB ILE A 45 -11.281 -1.517 20.595 1.00 0.00 C ATOM 683 CG1 ILE A 45 -12.789 -1.622 20.358 1.00 0.00 C ATOM 684 CG2 ILE A 45 -11.017 -0.590 21.783 1.00 0.00 C ATOM 685 CD1 ILE A 45 -13.325 -0.271 19.884 1.00 0.00 C ATOM 0 H ILE A 45 -11.768 -2.386 18.281 1.00 0.00 H new ATOM 0 HA ILE A 45 -10.708 0.136 19.338 1.00 0.00 H new ATOM 0 HB ILE A 45 -10.876 -2.506 20.808 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -12.998 -2.390 19.613 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -13.292 -1.923 21.277 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -11.498 -0.994 22.674 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -9.943 -0.514 21.953 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -11.422 0.399 21.570 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -14.399 -0.345 19.715 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -13.128 0.485 20.644 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -12.830 0.011 18.955 1.00 0.00 H new ATOM 697 N ARG A 46 -8.817 -2.567 19.080 1.00 0.00 N ATOM 698 CA ARG A 46 -7.389 -2.996 19.061 1.00 0.00 C ATOM 699 C ARG A 46 -6.755 -2.592 17.729 1.00 0.00 C ATOM 700 O ARG A 46 -5.601 -2.217 17.666 1.00 0.00 O ATOM 701 CB ARG A 46 -7.310 -4.515 19.218 1.00 0.00 C ATOM 702 CG ARG A 46 -7.856 -4.923 20.589 1.00 0.00 C ATOM 703 CD ARG A 46 -7.591 -6.414 20.813 1.00 0.00 C ATOM 704 NE ARG A 46 -8.245 -6.853 22.077 1.00 0.00 N ATOM 705 CZ ARG A 46 -7.812 -7.916 22.697 1.00 0.00 C ATOM 706 NH1 ARG A 46 -8.593 -8.952 22.840 1.00 0.00 N ATOM 707 NH2 ARG A 46 -6.597 -7.947 23.173 1.00 0.00 N ATOM 0 H ARG A 46 -9.494 -3.302 18.876 1.00 0.00 H new ATOM 0 HA ARG A 46 -6.855 -2.516 19.881 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -7.883 -5.002 18.429 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -6.277 -4.847 19.114 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -7.379 -4.335 21.373 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -8.925 -4.719 20.643 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -7.975 -6.992 19.973 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -6.518 -6.600 20.863 1.00 0.00 H new ATOM 0 HE ARG A 46 -9.030 -6.324 22.457 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -9.542 -8.931 22.467 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -8.254 -9.783 23.325 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -5.984 -7.139 23.060 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -6.260 -8.779 23.658 1.00 0.00 H new ATOM 721 N GLN A 47 -7.504 -2.671 16.666 1.00 0.00 N ATOM 722 CA GLN A 47 -6.959 -2.298 15.329 1.00 0.00 C ATOM 723 C GLN A 47 -5.823 -3.250 14.954 1.00 0.00 C ATOM 724 O GLN A 47 -4.801 -2.842 14.438 1.00 0.00 O ATOM 725 CB GLN A 47 -6.432 -0.861 15.369 1.00 0.00 C ATOM 726 CG GLN A 47 -7.592 0.097 15.652 1.00 0.00 C ATOM 727 CD GLN A 47 -7.073 1.536 15.672 1.00 0.00 C ATOM 728 OE1 GLN A 47 -5.883 1.764 15.763 1.00 0.00 O ATOM 729 NE2 GLN A 47 -7.922 2.523 15.591 1.00 0.00 N ATOM 0 H GLN A 47 -8.476 -2.980 16.664 1.00 0.00 H new ATOM 0 HA GLN A 47 -7.752 -2.370 14.585 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -5.668 -0.763 16.141 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -5.960 -0.608 14.420 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -8.362 -0.012 14.889 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -8.054 -0.147 16.608 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -8.921 2.331 15.515 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -7.587 3.486 15.604 1.00 0.00 H new ATOM 738 N THR A 48 -5.994 -4.520 15.204 1.00 0.00 N ATOM 739 CA THR A 48 -4.927 -5.500 14.857 1.00 0.00 C ATOM 740 C THR A 48 -5.362 -6.315 13.637 1.00 0.00 C ATOM 741 O THR A 48 -4.738 -7.294 13.277 1.00 0.00 O ATOM 742 CB THR A 48 -4.688 -6.439 16.042 1.00 0.00 C ATOM 743 OG1 THR A 48 -5.845 -7.234 16.256 1.00 0.00 O ATOM 744 CG2 THR A 48 -4.392 -5.616 17.297 1.00 0.00 C ATOM 0 H THR A 48 -6.828 -4.921 15.634 1.00 0.00 H new ATOM 0 HA THR A 48 -4.004 -4.967 14.628 1.00 0.00 H new ATOM 0 HB THR A 48 -3.838 -7.086 15.827 1.00 0.00 H new ATOM 0 HG1 THR A 48 -5.827 -8.007 15.654 1.00 0.00 H new ATOM 0 HG21 THR A 48 -4.222 -6.286 18.140 1.00 0.00 H new ATOM 0 HG22 THR A 48 -3.503 -5.008 17.132 1.00 0.00 H new ATOM 0 HG23 THR A 48 -5.240 -4.967 17.515 1.00 0.00 H new ATOM 752 N ASN A 49 -6.427 -5.916 12.995 1.00 0.00 N ATOM 753 CA ASN A 49 -6.902 -6.664 11.797 1.00 0.00 C ATOM 754 C ASN A 49 -7.029 -8.151 12.134 1.00 0.00 C ATOM 755 O ASN A 49 -6.463 -8.998 11.472 1.00 0.00 O ATOM 756 CB ASN A 49 -5.900 -6.482 10.655 1.00 0.00 C ATOM 757 CG ASN A 49 -5.806 -4.997 10.293 1.00 0.00 C ATOM 758 OD1 ASN A 49 -6.657 -4.213 10.664 1.00 0.00 O ATOM 759 ND2 ASN A 49 -4.798 -4.576 9.577 1.00 0.00 N ATOM 0 H ASN A 49 -6.989 -5.103 13.249 1.00 0.00 H new ATOM 0 HA ASN A 49 -7.876 -6.280 11.493 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -4.921 -6.858 10.952 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -6.213 -7.060 9.786 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -4.725 -3.589 9.329 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -4.084 -5.234 9.266 1.00 0.00 H new ATOM 766 N THR A 50 -7.767 -8.476 13.160 1.00 0.00 N ATOM 767 CA THR A 50 -7.931 -9.909 13.540 1.00 0.00 C ATOM 768 C THR A 50 -8.973 -10.563 12.631 1.00 0.00 C ATOM 769 O THR A 50 -9.986 -9.974 12.310 1.00 0.00 O ATOM 770 CB THR A 50 -8.401 -9.999 14.993 1.00 0.00 C ATOM 771 OG1 THR A 50 -7.493 -9.294 15.829 1.00 0.00 O ATOM 772 CG2 THR A 50 -8.460 -11.467 15.424 1.00 0.00 C ATOM 0 H THR A 50 -8.264 -7.811 13.752 1.00 0.00 H new ATOM 0 HA THR A 50 -6.977 -10.424 13.431 1.00 0.00 H new ATOM 0 HB THR A 50 -9.394 -9.557 15.081 1.00 0.00 H new ATOM 0 HG1 THR A 50 -7.795 -9.350 16.760 1.00 0.00 H new ATOM 0 HG21 THR A 50 -8.795 -11.529 16.459 1.00 0.00 H new ATOM 0 HG22 THR A 50 -9.158 -12.006 14.784 1.00 0.00 H new ATOM 0 HG23 THR A 50 -7.469 -11.912 15.336 1.00 0.00 H new ATOM 780 N HIS A 51 -8.737 -11.778 12.218 1.00 0.00 N ATOM 781 CA HIS A 51 -9.721 -12.467 11.335 1.00 0.00 C ATOM 782 C HIS A 51 -10.355 -13.633 12.094 1.00 0.00 C ATOM 783 O HIS A 51 -10.130 -13.816 13.274 1.00 0.00 O ATOM 784 CB HIS A 51 -9.015 -12.998 10.086 1.00 0.00 C ATOM 785 CG HIS A 51 -7.910 -12.058 9.692 1.00 0.00 C ATOM 786 ND1 HIS A 51 -6.546 -12.208 9.661 1.00 0.00 N flip ATOM 787 CD2 HIS A 51 -8.159 -10.766 9.258 1.00 0.00 C flip ATOM 788 CE1 HIS A 51 -5.956 -11.028 9.213 1.00 0.00 C flip ATOM 789 NE2 HIS A 51 -6.973 -10.194 8.984 1.00 0.00 N flip ATOM 0 H HIS A 51 -7.907 -12.323 12.453 1.00 0.00 H new ATOM 0 HA HIS A 51 -10.494 -11.759 11.037 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -8.609 -13.991 10.280 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -9.729 -13.099 9.268 1.00 0.00 H new ATOM 0 HD1 HIS A 51 -6.041 -13.054 9.926 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -9.129 -10.302 9.158 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -4.903 -10.831 9.080 1.00 0.00 H new ATOM 797 N ILE A 52 -11.144 -14.424 11.423 1.00 0.00 N ATOM 798 CA ILE A 52 -11.796 -15.579 12.102 1.00 0.00 C ATOM 799 C ILE A 52 -10.942 -16.833 11.914 1.00 0.00 C ATOM 800 O ILE A 52 -10.598 -17.206 10.810 1.00 0.00 O ATOM 801 CB ILE A 52 -13.181 -15.813 11.498 1.00 0.00 C ATOM 802 CG1 ILE A 52 -14.054 -14.578 11.731 1.00 0.00 C ATOM 803 CG2 ILE A 52 -13.826 -17.029 12.166 1.00 0.00 C ATOM 804 CD1 ILE A 52 -15.475 -14.855 11.236 1.00 0.00 C ATOM 0 H ILE A 52 -11.366 -14.321 10.433 1.00 0.00 H new ATOM 0 HA ILE A 52 -11.895 -15.363 13.166 1.00 0.00 H new ATOM 0 HB ILE A 52 -13.087 -15.993 10.427 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -14.070 -14.326 12.791 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -13.636 -13.720 11.205 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -14.814 -17.198 11.737 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -13.203 -17.908 12.001 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -13.921 -16.848 13.237 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -16.096 -13.975 11.402 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -15.451 -15.086 10.171 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -15.892 -15.702 11.782 1.00 0.00 H new ATOM 816 N ARG A 53 -10.603 -17.487 12.988 1.00 0.00 N ATOM 817 CA ARG A 53 -9.776 -18.721 12.887 1.00 0.00 C ATOM 818 C ARG A 53 -10.668 -19.895 12.501 1.00 0.00 C ATOM 819 O ARG A 53 -10.341 -20.690 11.642 1.00 0.00 O ATOM 820 CB ARG A 53 -9.139 -19.013 14.245 1.00 0.00 C ATOM 821 CG ARG A 53 -8.211 -20.221 14.125 1.00 0.00 C ATOM 822 CD ARG A 53 -7.458 -20.419 15.443 1.00 0.00 C ATOM 823 NE ARG A 53 -6.527 -21.575 15.314 1.00 0.00 N ATOM 824 CZ ARG A 53 -6.847 -22.733 15.824 1.00 0.00 C ATOM 825 NH1 ARG A 53 -8.103 -23.080 15.918 1.00 0.00 N ATOM 826 NH2 ARG A 53 -5.914 -23.545 16.239 1.00 0.00 N ATOM 0 H ARG A 53 -10.864 -17.219 13.937 1.00 0.00 H new ATOM 0 HA ARG A 53 -9.001 -18.579 12.134 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -8.579 -18.144 14.590 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -9.913 -19.208 14.987 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -8.788 -21.114 13.886 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -7.504 -20.070 13.309 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -6.901 -19.516 15.695 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -8.164 -20.596 16.255 1.00 0.00 H new ATOM 0 HE ARG A 53 -5.638 -21.461 14.826 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -8.833 -22.446 15.593 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -8.354 -23.985 16.316 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -4.933 -23.275 16.165 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -6.165 -24.450 16.637 1.00 0.00 H new ATOM 840 N SER A 54 -11.791 -20.010 13.145 1.00 0.00 N ATOM 841 CA SER A 54 -12.720 -21.129 12.847 1.00 0.00 C ATOM 842 C SER A 54 -14.114 -20.774 13.366 1.00 0.00 C ATOM 843 O SER A 54 -14.258 -20.091 14.360 1.00 0.00 O ATOM 844 CB SER A 54 -12.222 -22.395 13.546 1.00 0.00 C ATOM 845 OG SER A 54 -12.512 -22.315 14.934 1.00 0.00 O ATOM 0 H SER A 54 -12.108 -19.370 13.873 1.00 0.00 H new ATOM 0 HA SER A 54 -12.763 -21.300 11.771 1.00 0.00 H new ATOM 0 HB2 SER A 54 -12.700 -23.274 13.114 1.00 0.00 H new ATOM 0 HB3 SER A 54 -11.149 -22.509 13.394 1.00 0.00 H new ATOM 0 HG SER A 54 -12.195 -23.127 15.382 1.00 0.00 H new ATOM 851 N THR A 55 -15.141 -21.229 12.707 1.00 0.00 N ATOM 852 CA THR A 55 -16.519 -20.911 13.175 1.00 0.00 C ATOM 853 C THR A 55 -16.723 -21.481 14.580 1.00 0.00 C ATOM 854 O THR A 55 -16.220 -22.536 14.913 1.00 0.00 O ATOM 855 CB THR A 55 -17.541 -21.527 12.217 1.00 0.00 C ATOM 856 OG1 THR A 55 -17.573 -22.936 12.401 1.00 0.00 O ATOM 857 CG2 THR A 55 -17.147 -21.206 10.775 1.00 0.00 C ATOM 0 H THR A 55 -15.088 -21.805 11.867 1.00 0.00 H new ATOM 0 HA THR A 55 -16.654 -19.830 13.199 1.00 0.00 H new ATOM 0 HB THR A 55 -18.528 -21.113 12.422 1.00 0.00 H new ATOM 0 HG1 THR A 55 -18.229 -23.331 11.789 1.00 0.00 H new ATOM 0 HG21 THR A 55 -17.875 -21.645 10.093 1.00 0.00 H new ATOM 0 HG22 THR A 55 -17.125 -20.125 10.636 1.00 0.00 H new ATOM 0 HG23 THR A 55 -16.160 -21.619 10.567 1.00 0.00 H new ATOM 865 N GLY A 56 -17.454 -20.788 15.408 1.00 0.00 N ATOM 866 CA GLY A 56 -17.688 -21.284 16.793 1.00 0.00 C ATOM 867 C GLY A 56 -16.560 -20.803 17.702 1.00 0.00 C ATOM 868 O GLY A 56 -15.517 -20.378 17.248 1.00 0.00 O ATOM 0 H GLY A 56 -17.900 -19.898 15.185 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -18.647 -20.922 17.163 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -17.734 -22.373 16.798 1.00 0.00 H new ATOM 872 N LYS A 57 -16.764 -20.869 18.985 1.00 0.00 N ATOM 873 CA LYS A 57 -15.707 -20.419 19.933 1.00 0.00 C ATOM 874 C LYS A 57 -14.448 -21.260 19.722 1.00 0.00 C ATOM 875 O LYS A 57 -14.517 -22.418 19.363 1.00 0.00 O ATOM 876 CB LYS A 57 -16.198 -20.598 21.371 1.00 0.00 C ATOM 877 CG LYS A 57 -17.427 -19.718 21.609 1.00 0.00 C ATOM 878 CD LYS A 57 -17.827 -19.793 23.084 1.00 0.00 C ATOM 879 CE LYS A 57 -19.123 -19.009 23.300 1.00 0.00 C ATOM 880 NZ LYS A 57 -19.098 -18.363 24.643 1.00 0.00 N ATOM 0 H LYS A 57 -17.618 -21.216 19.421 1.00 0.00 H new ATOM 0 HA LYS A 57 -15.482 -19.368 19.754 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -16.446 -21.644 21.553 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -15.407 -20.332 22.072 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -17.209 -18.687 21.332 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -18.253 -20.049 20.979 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -17.964 -20.832 23.383 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -17.033 -19.384 23.709 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -19.236 -18.253 22.523 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -19.981 -19.677 23.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -19.979 -17.830 24.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -19.009 -19.093 25.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -18.288 -17.714 24.701 1.00 0.00 H new ATOM 894 N CYS A 58 -13.296 -20.690 19.948 1.00 0.00 N ATOM 895 CA CYS A 58 -12.039 -21.467 19.768 1.00 0.00 C ATOM 896 C CYS A 58 -12.116 -22.742 20.612 1.00 0.00 C ATOM 897 O CYS A 58 -11.400 -23.697 20.384 1.00 0.00 O ATOM 898 CB CYS A 58 -10.846 -20.623 20.223 1.00 0.00 C ATOM 899 SG CYS A 58 -10.824 -19.063 19.307 1.00 0.00 S ATOM 0 H CYS A 58 -13.172 -19.723 20.248 1.00 0.00 H new ATOM 0 HA CYS A 58 -11.914 -21.728 18.717 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -10.913 -20.427 21.293 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -9.917 -21.168 20.056 1.00 0.00 H new