USER MOD reduce.3.24.130724 H: found=0, std=0, add=429, rem=0, adj=10 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 86:sc= 0.0202 USER MOD Set 1.2: A 50 THR OG1 : rot -58:sc= 0.62 USER MOD Set 2.1: A 31 GLN : amide:sc= 0.307 K(o=-0.86,f=-4.9!) USER MOD Set 2.2: A 33 TYR OH : rot 63:sc= -1.16! USER MOD Single : A 4 MET CE :methyl -152:sc= -0.587 (180deg=-2.81!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot 120:sc= -0.959 USER MOD Single : A 16 TYR OH : rot -148:sc= 0.299 USER MOD Single : A 20 LYS NZ :NH3+ 156:sc= -0.107 (180deg=-0.601) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot -19:sc= 1.06 USER MOD Single : A 34 ASN : amide:sc= -7.57! C(o=-7.6!,f=-14!) USER MOD Single : A 35 ASN : amide:sc= -7.18! C(o=-7.2!,f=-21!) USER MOD Single : A 38 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 HIS : no HD1:sc= -0.0551 X(o=-0.055,f=-0.27) USER MOD Single : A 43 ASN : amide:sc= -7! C(o=-7!,f=-9.1!) USER MOD Single : A 47 GLN : amide:sc= -0.401 X(o=-0.4,f=0) USER MOD Single : A 49 ASN : amide:sc= -0.0968 X(o=-0.097,f=-0.019) USER MOD Single : A 51 HIS : no HD1:sc= -1.78 X(o=-1.8,f=-1.8) 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 -16.002 -8.269 5.888 1.00 0.00 N ATOM 42 CA MET A 4 -17.014 -7.212 6.161 1.00 0.00 C ATOM 43 C MET A 4 -16.294 -5.927 6.573 1.00 0.00 C ATOM 44 O MET A 4 -16.795 -4.835 6.390 1.00 0.00 O ATOM 45 CB MET A 4 -17.937 -7.667 7.292 1.00 0.00 C ATOM 46 CG MET A 4 -18.498 -9.052 6.966 1.00 0.00 C ATOM 47 SD MET A 4 -19.643 -8.928 5.569 1.00 0.00 S ATOM 48 CE MET A 4 -20.716 -7.648 6.266 1.00 0.00 C ATOM 0 HA MET A 4 -17.608 -7.030 5.265 1.00 0.00 H new ATOM 0 HB2 MET A 4 -17.389 -7.697 8.233 1.00 0.00 H new ATOM 0 HB3 MET A 4 -18.751 -6.954 7.420 1.00 0.00 H new ATOM 0 HG2 MET A 4 -17.686 -9.737 6.724 1.00 0.00 H new ATOM 0 HG3 MET A 4 -19.012 -9.462 7.836 1.00 0.00 H new ATOM 0 HE1 MET A 4 -21.720 -7.751 5.854 1.00 0.00 H new ATOM 0 HE2 MET A 4 -20.756 -7.757 7.350 1.00 0.00 H new ATOM 0 HE3 MET A 4 -20.319 -6.664 6.015 1.00 0.00 H new ATOM 58 N CYS A 5 -15.116 -6.050 7.123 1.00 0.00 N ATOM 59 CA CYS A 5 -14.357 -4.839 7.542 1.00 0.00 C ATOM 60 C CYS A 5 -13.648 -4.242 6.325 1.00 0.00 C ATOM 61 O CYS A 5 -13.168 -3.126 6.357 1.00 0.00 O ATOM 62 CB CYS A 5 -13.315 -5.225 8.593 1.00 0.00 C ATOM 63 SG CYS A 5 -14.045 -6.380 9.770 1.00 0.00 S ATOM 0 H CYS A 5 -14.647 -6.938 7.300 1.00 0.00 H new ATOM 0 HA CYS A 5 -15.045 -4.107 7.964 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -12.449 -5.679 8.112 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -12.961 -4.335 9.113 1.00 0.00 H new ATOM 68 N LYS A 6 -13.572 -4.982 5.253 1.00 0.00 N ATOM 69 CA LYS A 6 -12.888 -4.464 4.034 1.00 0.00 C ATOM 70 C LYS A 6 -13.503 -3.125 3.623 1.00 0.00 C ATOM 71 O LYS A 6 -12.841 -2.275 3.061 1.00 0.00 O ATOM 72 CB LYS A 6 -13.052 -5.470 2.893 1.00 0.00 C ATOM 73 CG LYS A 6 -12.141 -6.673 3.141 1.00 0.00 C ATOM 74 CD LYS A 6 -12.039 -7.507 1.862 1.00 0.00 C ATOM 75 CE LYS A 6 -11.267 -8.795 2.154 1.00 0.00 C ATOM 76 NZ LYS A 6 -9.807 -8.548 1.986 1.00 0.00 N ATOM 0 H LYS A 6 -13.954 -5.924 5.168 1.00 0.00 H new ATOM 0 HA LYS A 6 -11.829 -4.322 4.249 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -14.091 -5.794 2.826 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -12.802 -5.001 1.941 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -11.151 -6.336 3.448 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -12.537 -7.281 3.954 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -13.035 -7.744 1.489 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -11.534 -6.937 1.082 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -11.475 -9.134 3.169 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -11.593 -9.587 1.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -9.282 -9.423 2.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -9.616 -8.244 1.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -9.502 -7.804 2.646 1.00 0.00 H new ATOM 90 N ASP A 7 -14.764 -2.929 3.894 1.00 0.00 N ATOM 91 CA ASP A 7 -15.412 -1.643 3.510 1.00 0.00 C ATOM 92 C ASP A 7 -16.544 -1.320 4.487 1.00 0.00 C ATOM 93 O ASP A 7 -17.699 -1.259 4.114 1.00 0.00 O ATOM 94 CB ASP A 7 -15.983 -1.766 2.096 1.00 0.00 C ATOM 95 CG ASP A 7 -16.616 -0.435 1.684 1.00 0.00 C ATOM 96 OD1 ASP A 7 -16.466 0.524 2.423 1.00 0.00 O ATOM 97 OD2 ASP A 7 -17.240 -0.398 0.636 1.00 0.00 O ATOM 0 H ASP A 7 -15.372 -3.601 4.363 1.00 0.00 H new ATOM 0 HA ASP A 7 -14.671 -0.844 3.541 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -15.193 -2.038 1.396 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -16.727 -2.561 2.061 1.00 0.00 H new ATOM 102 N TYR A 8 -16.225 -1.107 5.735 1.00 0.00 N ATOM 103 CA TYR A 8 -17.289 -0.783 6.727 1.00 0.00 C ATOM 104 C TYR A 8 -17.064 0.633 7.268 1.00 0.00 C ATOM 105 O TYR A 8 -16.088 1.282 6.949 1.00 0.00 O ATOM 106 CB TYR A 8 -17.249 -1.799 7.876 1.00 0.00 C ATOM 107 CG TYR A 8 -16.134 -1.454 8.838 1.00 0.00 C ATOM 108 CD1 TYR A 8 -14.800 -1.648 8.463 1.00 0.00 C ATOM 109 CD2 TYR A 8 -16.438 -0.940 10.104 1.00 0.00 C ATOM 110 CE1 TYR A 8 -13.769 -1.326 9.354 1.00 0.00 C ATOM 111 CE2 TYR A 8 -15.408 -0.618 10.995 1.00 0.00 C ATOM 112 CZ TYR A 8 -14.073 -0.811 10.620 1.00 0.00 C ATOM 113 OH TYR A 8 -13.057 -0.492 11.498 1.00 0.00 O ATOM 0 H TYR A 8 -15.277 -1.143 6.109 1.00 0.00 H new ATOM 0 HA TYR A 8 -18.266 -0.832 6.246 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -18.204 -1.803 8.401 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -17.099 -2.803 7.479 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -14.566 -2.046 7.487 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -17.468 -0.792 10.393 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -12.739 -1.475 9.065 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -15.643 -0.221 11.971 1.00 0.00 H new ATOM 0 HH TYR A 8 -13.105 0.461 11.721 1.00 0.00 H new ATOM 123 N ARG A 9 -17.960 1.116 8.085 1.00 0.00 N ATOM 124 CA ARG A 9 -17.794 2.488 8.643 1.00 0.00 C ATOM 125 C ARG A 9 -18.413 2.550 10.041 1.00 0.00 C ATOM 126 O ARG A 9 -19.460 1.989 10.292 1.00 0.00 O ATOM 127 CB ARG A 9 -18.490 3.499 7.730 1.00 0.00 C ATOM 128 CG ARG A 9 -17.595 3.796 6.524 1.00 0.00 C ATOM 129 CD ARG A 9 -18.244 4.877 5.658 1.00 0.00 C ATOM 130 NE ARG A 9 -17.664 4.825 4.286 1.00 0.00 N ATOM 131 CZ ARG A 9 -17.948 5.759 3.421 1.00 0.00 C ATOM 132 NH1 ARG A 9 -18.763 5.509 2.433 1.00 0.00 N ATOM 133 NH2 ARG A 9 -17.416 6.945 3.542 1.00 0.00 N ATOM 0 H ARG A 9 -18.798 0.621 8.390 1.00 0.00 H new ATOM 0 HA ARG A 9 -16.733 2.728 8.706 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -19.449 3.104 7.396 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -18.697 4.418 8.278 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -16.612 4.126 6.860 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -17.443 2.889 5.939 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -19.323 4.725 5.615 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -18.078 5.860 6.098 1.00 0.00 H new ATOM 0 HE ARG A 9 -17.045 4.058 4.023 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -19.179 4.583 2.337 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -18.984 6.240 1.757 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -16.778 7.141 4.313 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -17.638 7.675 2.865 1.00 0.00 H new ATOM 147 N VAL A 10 -17.771 3.230 10.952 1.00 0.00 N ATOM 148 CA VAL A 10 -18.319 3.329 12.334 1.00 0.00 C ATOM 149 C VAL A 10 -18.269 4.787 12.796 1.00 0.00 C ATOM 150 O VAL A 10 -17.315 5.495 12.541 1.00 0.00 O ATOM 151 CB VAL A 10 -17.479 2.466 13.277 1.00 0.00 C ATOM 152 CG1 VAL A 10 -17.970 2.653 14.714 1.00 0.00 C ATOM 153 CG2 VAL A 10 -17.616 0.995 12.880 1.00 0.00 C ATOM 0 H VAL A 10 -16.890 3.721 10.798 1.00 0.00 H new ATOM 0 HA VAL A 10 -19.351 2.979 12.344 1.00 0.00 H new ATOM 0 HB VAL A 10 -16.433 2.766 13.208 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -17.371 2.038 15.386 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -17.873 3.701 14.998 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -19.016 2.354 14.783 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -17.018 0.380 13.552 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -18.662 0.696 12.949 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -17.266 0.860 11.856 1.00 0.00 H new ATOM 163 N LEU A 11 -19.287 5.241 13.474 1.00 0.00 N ATOM 164 CA LEU A 11 -19.296 6.652 13.951 1.00 0.00 C ATOM 165 C LEU A 11 -19.600 6.676 15.450 1.00 0.00 C ATOM 166 O LEU A 11 -19.935 5.668 16.039 1.00 0.00 O ATOM 167 CB LEU A 11 -20.375 7.433 13.198 1.00 0.00 C ATOM 168 CG LEU A 11 -19.728 8.254 12.081 1.00 0.00 C ATOM 169 CD1 LEU A 11 -19.809 7.477 10.766 1.00 0.00 C ATOM 170 CD2 LEU A 11 -20.467 9.585 11.933 1.00 0.00 C ATOM 0 H LEU A 11 -20.113 4.695 13.718 1.00 0.00 H new ATOM 0 HA LEU A 11 -18.323 7.108 13.769 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -21.110 6.746 12.779 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -20.908 8.091 13.885 1.00 0.00 H new ATOM 0 HG LEU A 11 -18.683 8.444 12.328 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -19.348 8.061 9.969 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -19.283 6.528 10.871 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -20.854 7.287 10.519 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -20.006 10.170 11.137 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -21.512 9.396 11.686 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -20.410 10.139 12.870 1.00 0.00 H new ATOM 182 N PRO A 12 -19.484 7.856 16.077 1.00 0.00 N ATOM 183 CA PRO A 12 -19.752 8.018 17.511 1.00 0.00 C ATOM 184 C PRO A 12 -21.234 7.810 17.830 1.00 0.00 C ATOM 185 O PRO A 12 -21.600 7.454 18.933 1.00 0.00 O ATOM 186 CB PRO A 12 -19.348 9.466 17.790 1.00 0.00 C ATOM 187 CG PRO A 12 -19.479 10.147 16.470 1.00 0.00 C ATOM 188 CD PRO A 12 -19.086 9.125 15.443 1.00 0.00 C ATOM 0 HA PRO A 12 -19.211 7.292 18.118 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -19.996 9.922 18.539 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -18.328 9.528 18.170 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -20.500 10.492 16.308 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -18.834 11.024 16.416 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -19.602 9.284 14.496 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -18.017 9.154 15.232 1.00 0.00 H new ATOM 196 N ARG A 13 -22.088 8.022 16.867 1.00 0.00 N ATOM 197 CA ARG A 13 -23.545 7.831 17.105 1.00 0.00 C ATOM 198 C ARG A 13 -24.005 6.554 16.399 1.00 0.00 C ATOM 199 O ARG A 13 -24.954 5.914 16.807 1.00 0.00 O ATOM 200 CB ARG A 13 -24.316 9.026 16.543 1.00 0.00 C ATOM 201 CG ARG A 13 -24.047 10.262 17.404 1.00 0.00 C ATOM 202 CD ARG A 13 -24.925 11.417 16.919 1.00 0.00 C ATOM 203 NE ARG A 13 -24.368 12.708 17.413 1.00 0.00 N ATOM 204 CZ ARG A 13 -24.305 13.739 16.616 1.00 0.00 C ATOM 205 NH1 ARG A 13 -25.068 14.777 16.829 1.00 0.00 N ATOM 206 NH2 ARG A 13 -23.479 13.734 15.606 1.00 0.00 N ATOM 0 H ARG A 13 -21.838 8.320 15.924 1.00 0.00 H new ATOM 0 HA ARG A 13 -23.733 7.750 18.176 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -24.013 9.215 15.513 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -25.384 8.807 16.526 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -24.259 10.043 18.451 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -22.995 10.540 17.343 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -24.969 11.421 15.830 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -25.946 11.288 17.279 1.00 0.00 H new ATOM 0 HE ARG A 13 -24.036 12.786 18.374 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -25.714 14.782 17.619 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -25.018 15.583 16.206 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -22.882 12.924 15.439 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -23.430 14.540 14.983 1.00 0.00 H new ATOM 220 N ILE A 14 -23.339 6.181 15.341 1.00 0.00 N ATOM 221 CA ILE A 14 -23.735 4.947 14.607 1.00 0.00 C ATOM 222 C ILE A 14 -23.068 3.734 15.258 1.00 0.00 C ATOM 223 O ILE A 14 -23.676 2.695 15.426 1.00 0.00 O ATOM 224 CB ILE A 14 -23.285 5.056 13.149 1.00 0.00 C ATOM 225 CG1 ILE A 14 -24.017 6.220 12.475 1.00 0.00 C ATOM 226 CG2 ILE A 14 -23.612 3.754 12.416 1.00 0.00 C ATOM 227 CD1 ILE A 14 -23.418 6.466 11.088 1.00 0.00 C ATOM 0 H ILE A 14 -22.537 6.678 14.953 1.00 0.00 H new ATOM 0 HA ILE A 14 -24.818 4.831 14.645 1.00 0.00 H new ATOM 0 HB ILE A 14 -22.210 5.233 13.112 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -25.080 5.994 12.389 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -23.931 7.119 13.085 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -23.292 3.831 11.377 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -23.091 2.926 12.896 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -24.687 3.576 12.452 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -23.939 7.295 10.608 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -22.360 6.711 11.187 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -23.527 5.568 10.480 1.00 0.00 H new ATOM 239 N GLY A 15 -21.822 3.856 15.624 1.00 0.00 N ATOM 240 CA GLY A 15 -21.118 2.710 16.264 1.00 0.00 C ATOM 241 C GLY A 15 -20.854 1.628 15.216 1.00 0.00 C ATOM 242 O GLY A 15 -20.515 1.914 14.085 1.00 0.00 O ATOM 0 H GLY A 15 -21.261 4.700 15.507 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -20.178 3.045 16.702 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -21.722 2.306 17.076 1.00 0.00 H new ATOM 246 N TYR A 16 -21.008 0.384 15.580 1.00 0.00 N ATOM 247 CA TYR A 16 -20.766 -0.712 14.602 1.00 0.00 C ATOM 248 C TYR A 16 -22.095 -1.379 14.244 1.00 0.00 C ATOM 249 O TYR A 16 -23.019 -1.406 15.033 1.00 0.00 O ATOM 250 CB TYR A 16 -19.825 -1.748 15.219 1.00 0.00 C ATOM 251 CG TYR A 16 -18.999 -2.389 14.130 1.00 0.00 C ATOM 252 CD1 TYR A 16 -19.542 -3.421 13.355 1.00 0.00 C ATOM 253 CD2 TYR A 16 -17.692 -1.950 13.893 1.00 0.00 C ATOM 254 CE1 TYR A 16 -18.777 -4.014 12.344 1.00 0.00 C ATOM 255 CE2 TYR A 16 -16.926 -2.542 12.882 1.00 0.00 C ATOM 256 CZ TYR A 16 -17.469 -3.574 12.107 1.00 0.00 C ATOM 257 OH TYR A 16 -16.713 -4.158 11.110 1.00 0.00 O ATOM 0 H TYR A 16 -21.291 0.080 16.512 1.00 0.00 H new ATOM 0 HA TYR A 16 -20.312 -0.300 13.701 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -19.174 -1.272 15.952 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -20.400 -2.507 15.749 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -20.551 -3.759 13.537 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -17.274 -1.154 14.491 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -19.195 -4.811 11.747 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -15.917 -2.203 12.700 1.00 0.00 H new ATOM 0 HH TYR A 16 -15.768 -4.150 11.369 1.00 0.00 H new ATOM 267 N LEU A 17 -22.198 -1.919 13.062 1.00 0.00 N ATOM 268 CA LEU A 17 -23.468 -2.585 12.657 1.00 0.00 C ATOM 269 C LEU A 17 -23.237 -4.093 12.548 1.00 0.00 C ATOM 270 O LEU A 17 -22.291 -4.544 11.934 1.00 0.00 O ATOM 271 CB LEU A 17 -23.923 -2.038 11.303 1.00 0.00 C ATOM 272 CG LEU A 17 -24.464 -0.619 11.484 1.00 0.00 C ATOM 273 CD1 LEU A 17 -24.906 -0.064 10.129 1.00 0.00 C ATOM 274 CD2 LEU A 17 -25.659 -0.649 12.439 1.00 0.00 C ATOM 0 H LEU A 17 -21.459 -1.928 12.359 1.00 0.00 H new ATOM 0 HA LEU A 17 -24.237 -2.387 13.403 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -23.089 -2.034 10.601 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -24.694 -2.682 10.879 1.00 0.00 H new ATOM 0 HG LEU A 17 -23.683 0.018 11.898 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -25.292 0.947 10.258 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -24.054 -0.044 9.449 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -25.687 -0.700 9.713 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -26.046 0.362 12.569 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -26.440 -1.286 12.024 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -25.343 -1.044 13.405 1.00 0.00 H new ATOM 286 N CYS A 18 -24.094 -4.878 13.142 1.00 0.00 N ATOM 287 CA CYS A 18 -23.920 -6.356 13.074 1.00 0.00 C ATOM 288 C CYS A 18 -25.281 -7.024 12.879 1.00 0.00 C ATOM 289 O CYS A 18 -26.310 -6.466 13.206 1.00 0.00 O ATOM 290 CB CYS A 18 -23.290 -6.851 14.377 1.00 0.00 C ATOM 291 SG CYS A 18 -21.683 -6.051 14.600 1.00 0.00 S ATOM 0 H CYS A 18 -24.906 -4.560 13.671 1.00 0.00 H new ATOM 0 HA CYS A 18 -23.271 -6.608 12.235 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -23.943 -6.624 15.220 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -23.170 -7.934 14.349 1.00 0.00 H new ATOM 296 N PRO A 19 -25.278 -8.248 12.334 1.00 0.00 N ATOM 297 CA PRO A 19 -26.508 -9.009 12.090 1.00 0.00 C ATOM 298 C PRO A 19 -27.153 -9.474 13.397 1.00 0.00 C ATOM 299 O PRO A 19 -26.546 -9.431 14.449 1.00 0.00 O ATOM 300 CB PRO A 19 -26.028 -10.216 11.284 1.00 0.00 C ATOM 301 CG PRO A 19 -24.592 -10.371 11.658 1.00 0.00 C ATOM 302 CD PRO A 19 -24.074 -8.984 11.915 1.00 0.00 C ATOM 0 HA PRO A 19 -27.265 -8.414 11.579 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -26.601 -11.110 11.530 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -26.143 -10.049 10.213 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -24.486 -10.997 12.544 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -24.031 -10.854 10.858 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -23.308 -8.977 12.690 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -23.627 -8.549 11.021 1.00 0.00 H new ATOM 310 N LYS A 20 -28.377 -9.918 13.339 1.00 0.00 N ATOM 311 CA LYS A 20 -29.056 -10.383 14.580 1.00 0.00 C ATOM 312 C LYS A 20 -28.734 -11.860 14.811 1.00 0.00 C ATOM 313 O LYS A 20 -28.898 -12.379 15.897 1.00 0.00 O ATOM 314 CB LYS A 20 -30.569 -10.206 14.431 1.00 0.00 C ATOM 315 CG LYS A 20 -31.257 -10.544 15.756 1.00 0.00 C ATOM 316 CD LYS A 20 -32.775 -10.504 15.568 1.00 0.00 C ATOM 317 CE LYS A 20 -33.462 -10.644 16.928 1.00 0.00 C ATOM 318 NZ LYS A 20 -33.179 -9.437 17.754 1.00 0.00 N ATOM 0 H LYS A 20 -28.936 -9.979 12.488 1.00 0.00 H new ATOM 0 HA LYS A 20 -28.705 -9.797 15.429 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -30.799 -9.181 14.141 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -30.945 -10.853 13.639 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -30.948 -11.532 16.097 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -30.956 -9.833 16.526 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -33.069 -9.567 15.095 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -33.091 -11.309 14.904 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -34.537 -10.762 16.794 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -33.104 -11.539 17.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -33.926 -9.323 18.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -32.260 -9.548 18.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -33.153 -8.596 17.143 1.00 0.00 H new ATOM 332 N ASP A 21 -28.274 -12.541 13.798 1.00 0.00 N ATOM 333 CA ASP A 21 -27.938 -13.983 13.959 1.00 0.00 C ATOM 334 C ASP A 21 -26.739 -14.123 14.899 1.00 0.00 C ATOM 335 O ASP A 21 -25.678 -13.587 14.650 1.00 0.00 O ATOM 336 CB ASP A 21 -27.590 -14.580 12.595 1.00 0.00 C ATOM 337 CG ASP A 21 -28.795 -14.451 11.660 1.00 0.00 C ATOM 338 OD1 ASP A 21 -29.869 -14.144 12.150 1.00 0.00 O ATOM 339 OD2 ASP A 21 -28.622 -14.662 10.471 1.00 0.00 O ATOM 0 H ASP A 21 -28.116 -12.160 12.865 1.00 0.00 H new ATOM 0 HA ASP A 21 -28.793 -14.512 14.379 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -26.729 -14.065 12.169 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -27.312 -15.628 12.705 1.00 0.00 H new ATOM 344 N LEU A 22 -26.899 -14.839 15.977 1.00 0.00 N ATOM 345 CA LEU A 22 -25.767 -15.010 16.930 1.00 0.00 C ATOM 346 C LEU A 22 -24.892 -16.178 16.477 1.00 0.00 C ATOM 347 O LEU A 22 -25.364 -17.281 16.281 1.00 0.00 O ATOM 348 CB LEU A 22 -26.317 -15.293 18.331 1.00 0.00 C ATOM 349 CG LEU A 22 -25.170 -15.299 19.348 1.00 0.00 C ATOM 350 CD1 LEU A 22 -24.363 -16.591 19.205 1.00 0.00 C ATOM 351 CD2 LEU A 22 -24.256 -14.097 19.100 1.00 0.00 C ATOM 0 H LEU A 22 -27.764 -15.313 16.239 1.00 0.00 H new ATOM 0 HA LEU A 22 -25.170 -14.098 16.953 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -27.052 -14.536 18.603 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -26.831 -16.254 18.343 1.00 0.00 H new ATOM 0 HG LEU A 22 -25.583 -15.239 20.355 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -23.548 -16.593 19.929 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -25.012 -17.447 19.387 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -23.953 -16.654 18.197 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -23.442 -14.104 19.824 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -23.846 -14.154 18.092 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -24.829 -13.176 19.207 1.00 0.00 H new ATOM 363 N LYS A 23 -23.619 -15.946 16.306 1.00 0.00 N ATOM 364 CA LYS A 23 -22.717 -17.046 15.862 1.00 0.00 C ATOM 365 C LYS A 23 -21.327 -16.852 16.471 1.00 0.00 C ATOM 366 O LYS A 23 -20.621 -15.919 16.144 1.00 0.00 O ATOM 367 CB LYS A 23 -22.610 -17.033 14.335 1.00 0.00 C ATOM 368 CG LYS A 23 -23.914 -17.551 13.726 1.00 0.00 C ATOM 369 CD LYS A 23 -23.751 -17.683 12.211 1.00 0.00 C ATOM 370 CE LYS A 23 -23.018 -18.987 11.888 1.00 0.00 C ATOM 371 NZ LYS A 23 -22.038 -18.749 10.791 1.00 0.00 N ATOM 0 H LYS A 23 -23.166 -15.044 16.454 1.00 0.00 H new ATOM 0 HA LYS A 23 -23.125 -18.001 16.192 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -22.409 -16.021 13.983 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -21.774 -17.654 14.013 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -24.172 -18.517 14.160 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -24.732 -16.869 13.957 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -24.728 -17.673 11.727 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -23.193 -16.833 11.819 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -22.504 -19.357 12.775 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -23.733 -19.754 11.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -21.540 -19.635 10.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -22.540 -18.415 9.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -21.349 -18.030 11.091 1.00 0.00 H new ATOM 385 N PRO A 24 -20.928 -17.763 17.372 1.00 0.00 N ATOM 386 CA PRO A 24 -19.617 -17.711 18.036 1.00 0.00 C ATOM 387 C PRO A 24 -18.471 -17.932 17.046 1.00 0.00 C ATOM 388 O PRO A 24 -18.422 -18.928 16.354 1.00 0.00 O ATOM 389 CB PRO A 24 -19.680 -18.866 19.038 1.00 0.00 C ATOM 390 CG PRO A 24 -20.691 -19.797 18.463 1.00 0.00 C ATOM 391 CD PRO A 24 -21.723 -18.920 17.815 1.00 0.00 C ATOM 0 HA PRO A 24 -19.426 -16.742 18.496 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -18.710 -19.351 19.148 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -19.977 -18.518 20.028 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -20.236 -20.470 17.736 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -21.137 -20.420 19.239 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -22.212 -19.420 16.979 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -22.506 -18.630 18.516 1.00 0.00 H new ATOM 399 N VAL A 25 -17.553 -17.009 16.969 1.00 0.00 N ATOM 400 CA VAL A 25 -16.416 -17.172 16.019 1.00 0.00 C ATOM 401 C VAL A 25 -15.097 -17.213 16.790 1.00 0.00 C ATOM 402 O VAL A 25 -14.976 -16.664 17.867 1.00 0.00 O ATOM 403 CB VAL A 25 -16.378 -15.988 15.050 1.00 0.00 C ATOM 404 CG1 VAL A 25 -17.629 -15.991 14.172 1.00 0.00 C ATOM 405 CG2 VAL A 25 -16.318 -14.683 15.846 1.00 0.00 C ATOM 0 H VAL A 25 -17.540 -16.151 17.521 1.00 0.00 H new ATOM 0 HA VAL A 25 -16.552 -18.102 15.467 1.00 0.00 H new ATOM 0 HB VAL A 25 -15.496 -16.073 14.415 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -17.594 -15.145 13.485 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -17.671 -16.919 13.602 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -18.515 -15.911 14.801 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -16.291 -13.838 15.158 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -17.199 -14.604 16.483 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -15.421 -14.676 16.465 1.00 0.00 H new ATOM 415 N CYS A 26 -14.100 -17.843 16.234 1.00 0.00 N ATOM 416 CA CYS A 26 -12.779 -17.901 16.918 1.00 0.00 C ATOM 417 C CYS A 26 -11.886 -16.802 16.341 1.00 0.00 C ATOM 418 O CYS A 26 -11.925 -16.517 15.160 1.00 0.00 O ATOM 419 CB CYS A 26 -12.134 -19.269 16.686 1.00 0.00 C ATOM 420 SG CYS A 26 -10.569 -19.364 17.592 1.00 0.00 S ATOM 0 H CYS A 26 -14.144 -18.321 15.334 1.00 0.00 H new ATOM 0 HA CYS A 26 -12.907 -17.753 17.990 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -12.806 -20.060 17.018 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -11.960 -19.424 15.621 1.00 0.00 H new ATOM 425 N GLY A 27 -11.092 -16.171 17.159 1.00 0.00 N ATOM 426 CA GLY A 27 -10.214 -15.081 16.647 1.00 0.00 C ATOM 427 C GLY A 27 -8.798 -15.613 16.424 1.00 0.00 C ATOM 428 O GLY A 27 -8.275 -16.373 17.214 1.00 0.00 O ATOM 0 H GLY A 27 -11.012 -16.362 18.158 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -10.615 -14.688 15.713 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -10.193 -14.255 17.358 1.00 0.00 H new ATOM 432 N ASP A 28 -8.172 -15.212 15.351 1.00 0.00 N ATOM 433 CA ASP A 28 -6.786 -15.687 15.072 1.00 0.00 C ATOM 434 C ASP A 28 -5.840 -15.169 16.157 1.00 0.00 C ATOM 435 O ASP A 28 -4.702 -15.585 16.249 1.00 0.00 O ATOM 436 CB ASP A 28 -6.333 -15.160 13.709 1.00 0.00 C ATOM 437 CG ASP A 28 -6.330 -13.630 13.730 1.00 0.00 C ATOM 438 OD1 ASP A 28 -6.498 -13.071 14.801 1.00 0.00 O ATOM 439 OD2 ASP A 28 -6.159 -13.043 12.674 1.00 0.00 O ATOM 0 H ASP A 28 -8.560 -14.576 14.655 1.00 0.00 H new ATOM 0 HA ASP A 28 -6.770 -16.777 15.066 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -5.336 -15.533 13.476 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -7.000 -15.522 12.927 1.00 0.00 H new ATOM 444 N ASP A 29 -6.299 -14.266 16.978 1.00 0.00 N ATOM 445 CA ASP A 29 -5.422 -13.724 18.054 1.00 0.00 C ATOM 446 C ASP A 29 -5.593 -14.562 19.323 1.00 0.00 C ATOM 447 O ASP A 29 -5.159 -14.182 20.392 1.00 0.00 O ATOM 448 CB ASP A 29 -5.808 -12.273 18.344 1.00 0.00 C ATOM 449 CG ASP A 29 -5.343 -11.383 17.189 1.00 0.00 C ATOM 450 OD1 ASP A 29 -4.781 -11.916 16.247 1.00 0.00 O ATOM 451 OD2 ASP A 29 -5.557 -10.185 17.267 1.00 0.00 O ATOM 0 H ASP A 29 -7.243 -13.880 16.951 1.00 0.00 H new ATOM 0 HA ASP A 29 -4.382 -13.765 17.730 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -6.888 -12.190 18.469 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -5.352 -11.944 19.278 1.00 0.00 H new ATOM 456 N GLY A 30 -6.223 -15.700 19.213 1.00 0.00 N ATOM 457 CA GLY A 30 -6.420 -16.560 20.414 1.00 0.00 C ATOM 458 C GLY A 30 -7.622 -16.054 21.212 1.00 0.00 C ATOM 459 O GLY A 30 -7.814 -16.411 22.358 1.00 0.00 O ATOM 0 H GLY A 30 -6.609 -16.071 18.345 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -6.581 -17.595 20.111 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -5.525 -16.545 21.036 1.00 0.00 H new ATOM 463 N GLN A 31 -8.435 -15.225 20.617 1.00 0.00 N ATOM 464 CA GLN A 31 -9.625 -14.695 21.342 1.00 0.00 C ATOM 465 C GLN A 31 -10.899 -15.144 20.624 1.00 0.00 C ATOM 466 O GLN A 31 -10.888 -15.425 19.444 1.00 0.00 O ATOM 467 CB GLN A 31 -9.567 -13.167 21.366 1.00 0.00 C ATOM 468 CG GLN A 31 -8.720 -12.706 22.554 1.00 0.00 C ATOM 469 CD GLN A 31 -8.491 -11.196 22.461 1.00 0.00 C ATOM 470 OE1 GLN A 31 -9.102 -10.526 21.651 1.00 0.00 O ATOM 471 NE2 GLN A 31 -7.631 -10.629 23.261 1.00 0.00 N ATOM 0 H GLN A 31 -8.327 -14.891 19.659 1.00 0.00 H new ATOM 0 HA GLN A 31 -9.629 -15.075 22.363 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -9.140 -12.794 20.435 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -10.574 -12.756 21.442 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -9.222 -12.952 23.490 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -7.764 -13.230 22.558 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -7.119 -11.191 23.940 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -7.471 -9.623 23.207 1.00 0.00 H new ATOM 480 N THR A 32 -11.998 -15.213 21.324 1.00 0.00 N ATOM 481 CA THR A 32 -13.269 -15.643 20.674 1.00 0.00 C ATOM 482 C THR A 32 -14.290 -14.506 20.751 1.00 0.00 C ATOM 483 O THR A 32 -14.316 -13.746 21.698 1.00 0.00 O ATOM 484 CB THR A 32 -13.822 -16.874 21.396 1.00 0.00 C ATOM 485 OG1 THR A 32 -12.797 -17.851 21.515 1.00 0.00 O ATOM 486 CG2 THR A 32 -14.991 -17.451 20.596 1.00 0.00 C ATOM 0 H THR A 32 -12.071 -14.991 22.317 1.00 0.00 H new ATOM 0 HA THR A 32 -13.077 -15.891 19.630 1.00 0.00 H new ATOM 0 HB THR A 32 -14.169 -16.590 22.389 1.00 0.00 H new ATOM 0 HG1 THR A 32 -12.084 -17.658 20.871 1.00 0.00 H new ATOM 0 HG21 THR A 32 -15.386 -18.328 21.109 1.00 0.00 H new ATOM 0 HG22 THR A 32 -15.776 -16.700 20.505 1.00 0.00 H new ATOM 0 HG23 THR A 32 -14.646 -17.737 19.602 1.00 0.00 H new ATOM 494 N TYR A 33 -15.131 -14.383 19.761 1.00 0.00 N ATOM 495 CA TYR A 33 -16.148 -13.295 19.778 1.00 0.00 C ATOM 496 C TYR A 33 -17.544 -13.900 19.633 1.00 0.00 C ATOM 497 O TYR A 33 -17.806 -14.672 18.732 1.00 0.00 O ATOM 498 CB TYR A 33 -15.882 -12.332 18.620 1.00 0.00 C ATOM 499 CG TYR A 33 -14.465 -11.821 18.712 1.00 0.00 C ATOM 500 CD1 TYR A 33 -14.158 -10.761 19.572 1.00 0.00 C ATOM 501 CD2 TYR A 33 -13.458 -12.409 17.938 1.00 0.00 C ATOM 502 CE1 TYR A 33 -12.844 -10.288 19.659 1.00 0.00 C ATOM 503 CE2 TYR A 33 -12.143 -11.936 18.024 1.00 0.00 C ATOM 504 CZ TYR A 33 -11.836 -10.875 18.884 1.00 0.00 C ATOM 505 OH TYR A 33 -10.540 -10.408 18.969 1.00 0.00 O ATOM 0 H TYR A 33 -15.158 -14.989 18.941 1.00 0.00 H new ATOM 0 HA TYR A 33 -16.086 -12.752 20.721 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -16.037 -12.839 17.668 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -16.584 -11.499 18.656 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -14.936 -10.308 20.169 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -13.695 -13.227 17.275 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -12.607 -9.470 20.324 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -11.366 -12.390 17.427 1.00 0.00 H new ATOM 0 HH TYR A 33 -10.198 -10.554 19.876 1.00 0.00 H new ATOM 515 N ASN A 34 -18.442 -13.559 20.515 1.00 0.00 N ATOM 516 CA ASN A 34 -19.819 -14.117 20.431 1.00 0.00 C ATOM 517 C ASN A 34 -20.338 -13.991 18.995 1.00 0.00 C ATOM 518 O ASN A 34 -20.316 -14.935 18.234 1.00 0.00 O ATOM 519 CB ASN A 34 -20.736 -13.356 21.392 1.00 0.00 C ATOM 520 CG ASN A 34 -22.090 -14.063 21.475 1.00 0.00 C ATOM 521 OD1 ASN A 34 -22.304 -15.067 20.825 1.00 0.00 O ATOM 522 ND2 ASN A 34 -23.019 -13.577 22.252 1.00 0.00 N ATOM 0 H ASN A 34 -18.281 -12.917 21.291 1.00 0.00 H new ATOM 0 HA ASN A 34 -19.805 -15.170 20.710 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -20.280 -13.303 22.381 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -20.870 -12.331 21.048 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -23.926 -14.040 22.314 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -22.838 -12.734 22.797 1.00 0.00 H new ATOM 529 N ASN A 35 -20.799 -12.835 18.615 1.00 0.00 N ATOM 530 CA ASN A 35 -21.310 -12.659 17.226 1.00 0.00 C ATOM 531 C ASN A 35 -20.126 -12.435 16.281 1.00 0.00 C ATOM 532 O ASN A 35 -19.116 -11.881 16.667 1.00 0.00 O ATOM 533 CB ASN A 35 -22.255 -11.453 17.193 1.00 0.00 C ATOM 534 CG ASN A 35 -22.515 -11.020 15.750 1.00 0.00 C ATOM 535 OD1 ASN A 35 -21.618 -10.573 15.065 1.00 0.00 O ATOM 536 ND2 ASN A 35 -23.720 -11.134 15.256 1.00 0.00 N ATOM 0 H ASN A 35 -20.845 -12.004 19.204 1.00 0.00 H new ATOM 0 HA ASN A 35 -21.854 -13.548 16.906 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -23.197 -11.708 17.679 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -21.820 -10.626 17.755 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -23.906 -10.847 14.295 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -24.474 -11.510 15.832 1.00 0.00 H new ATOM 543 N PRO A 36 -20.248 -12.881 15.020 1.00 0.00 N ATOM 544 CA PRO A 36 -19.180 -12.733 14.020 1.00 0.00 C ATOM 545 C PRO A 36 -18.861 -11.264 13.737 1.00 0.00 C ATOM 546 O PRO A 36 -17.725 -10.842 13.826 1.00 0.00 O ATOM 547 CB PRO A 36 -19.759 -13.416 12.777 1.00 0.00 C ATOM 548 CG PRO A 36 -21.233 -13.351 12.982 1.00 0.00 C ATOM 549 CD PRO A 36 -21.430 -13.557 14.456 1.00 0.00 C ATOM 0 HA PRO A 36 -18.238 -13.168 14.353 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -19.460 -12.902 11.864 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -19.413 -14.446 12.690 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -21.634 -12.390 12.661 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -21.746 -14.120 12.404 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -22.361 -13.114 14.809 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -21.460 -14.614 14.720 1.00 0.00 H new ATOM 557 N CYS A 37 -19.847 -10.474 13.416 1.00 0.00 N ATOM 558 CA CYS A 37 -19.576 -9.035 13.156 1.00 0.00 C ATOM 559 C CYS A 37 -18.982 -8.422 14.426 1.00 0.00 C ATOM 560 O CYS A 37 -18.189 -7.503 14.376 1.00 0.00 O ATOM 561 CB CYS A 37 -20.884 -8.326 12.791 1.00 0.00 C ATOM 562 SG CYS A 37 -20.672 -6.531 12.922 1.00 0.00 S ATOM 0 H CYS A 37 -20.822 -10.760 13.323 1.00 0.00 H new ATOM 0 HA CYS A 37 -18.876 -8.922 12.328 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -21.181 -8.592 11.777 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -21.684 -8.656 13.454 1.00 0.00 H new ATOM 567 N MET A 38 -19.358 -8.937 15.565 1.00 0.00 N ATOM 568 CA MET A 38 -18.818 -8.403 16.846 1.00 0.00 C ATOM 569 C MET A 38 -17.302 -8.596 16.871 1.00 0.00 C ATOM 570 O MET A 38 -16.598 -7.961 17.631 1.00 0.00 O ATOM 571 CB MET A 38 -19.453 -9.160 18.016 1.00 0.00 C ATOM 572 CG MET A 38 -20.688 -8.400 18.505 1.00 0.00 C ATOM 573 SD MET A 38 -21.392 -9.252 19.938 1.00 0.00 S ATOM 574 CE MET A 38 -20.433 -8.390 21.207 1.00 0.00 C ATOM 0 H MET A 38 -20.019 -9.708 15.663 1.00 0.00 H new ATOM 0 HA MET A 38 -19.051 -7.342 16.933 1.00 0.00 H new ATOM 0 HB2 MET A 38 -19.732 -10.166 17.703 1.00 0.00 H new ATOM 0 HB3 MET A 38 -18.733 -9.267 18.828 1.00 0.00 H new ATOM 0 HG2 MET A 38 -20.417 -7.379 18.772 1.00 0.00 H new ATOM 0 HG3 MET A 38 -21.428 -8.335 17.707 1.00 0.00 H new ATOM 0 HE1 MET A 38 -20.712 -8.766 22.192 1.00 0.00 H new ATOM 0 HE2 MET A 38 -19.370 -8.563 21.040 1.00 0.00 H new ATOM 0 HE3 MET A 38 -20.639 -7.321 21.155 1.00 0.00 H new ATOM 584 N LEU A 39 -16.791 -9.464 16.040 1.00 0.00 N ATOM 585 CA LEU A 39 -15.320 -9.689 16.011 1.00 0.00 C ATOM 586 C LEU A 39 -14.640 -8.446 15.440 1.00 0.00 C ATOM 587 O LEU A 39 -13.746 -7.885 16.043 1.00 0.00 O ATOM 588 CB LEU A 39 -15.003 -10.904 15.137 1.00 0.00 C ATOM 589 CG LEU A 39 -13.487 -11.093 15.059 1.00 0.00 C ATOM 590 CD1 LEU A 39 -13.152 -12.586 15.093 1.00 0.00 C ATOM 591 CD2 LEU A 39 -12.969 -10.485 13.757 1.00 0.00 C ATOM 0 H LEU A 39 -17.330 -10.026 15.381 1.00 0.00 H new ATOM 0 HA LEU A 39 -14.954 -9.875 17.021 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -15.471 -11.797 15.553 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -15.415 -10.764 14.138 1.00 0.00 H new ATOM 0 HG LEU A 39 -13.015 -10.598 15.908 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -12.071 -12.718 15.037 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -13.523 -13.021 16.021 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -13.622 -13.084 14.245 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -11.889 -10.618 13.698 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -13.443 -10.981 12.910 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -13.206 -9.421 13.733 1.00 0.00 H new ATOM 603 N CYS A 40 -15.064 -7.996 14.291 1.00 0.00 N ATOM 604 CA CYS A 40 -14.444 -6.775 13.708 1.00 0.00 C ATOM 605 C CYS A 40 -14.415 -5.693 14.785 1.00 0.00 C ATOM 606 O CYS A 40 -13.517 -4.880 14.849 1.00 0.00 O ATOM 607 CB CYS A 40 -15.271 -6.290 12.517 1.00 0.00 C ATOM 608 SG CYS A 40 -14.230 -5.278 11.446 1.00 0.00 S ATOM 0 H CYS A 40 -15.808 -8.418 13.735 1.00 0.00 H new ATOM 0 HA CYS A 40 -13.433 -6.996 13.365 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -15.666 -7.141 11.962 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -16.127 -5.712 12.865 1.00 0.00 H new ATOM 613 N HIS A 41 -15.392 -5.690 15.646 1.00 0.00 N ATOM 614 CA HIS A 41 -15.418 -4.679 16.732 1.00 0.00 C ATOM 615 C HIS A 41 -14.093 -4.743 17.485 1.00 0.00 C ATOM 616 O HIS A 41 -13.452 -3.741 17.727 1.00 0.00 O ATOM 617 CB HIS A 41 -16.566 -5.000 17.684 1.00 0.00 C ATOM 618 CG HIS A 41 -16.968 -3.757 18.427 1.00 0.00 C ATOM 619 ND1 HIS A 41 -17.448 -2.630 17.778 1.00 0.00 N ATOM 620 CD2 HIS A 41 -16.967 -3.447 19.764 1.00 0.00 C ATOM 621 CE1 HIS A 41 -17.714 -1.704 18.717 1.00 0.00 C ATOM 622 NE2 HIS A 41 -17.438 -2.151 19.946 1.00 0.00 N ATOM 0 H HIS A 41 -16.174 -6.345 15.643 1.00 0.00 H new ATOM 0 HA HIS A 41 -15.561 -3.680 16.319 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -17.416 -5.393 17.126 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -16.262 -5.774 18.388 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -16.649 -4.109 20.555 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -18.103 -0.719 18.504 1.00 0.00 H new ATOM 0 HE2 HIS A 41 -17.549 -1.650 20.827 1.00 0.00 H new ATOM 630 N GLU A 42 -13.674 -5.925 17.845 1.00 0.00 N ATOM 631 CA GLU A 42 -12.383 -6.067 18.568 1.00 0.00 C ATOM 632 C GLU A 42 -11.257 -5.548 17.675 1.00 0.00 C ATOM 633 O GLU A 42 -10.165 -5.272 18.132 1.00 0.00 O ATOM 634 CB GLU A 42 -12.136 -7.542 18.887 1.00 0.00 C ATOM 635 CG GLU A 42 -11.151 -7.654 20.054 1.00 0.00 C ATOM 636 CD GLU A 42 -11.783 -7.069 21.318 1.00 0.00 C ATOM 637 OE1 GLU A 42 -12.998 -7.106 21.422 1.00 0.00 O ATOM 638 OE2 GLU A 42 -11.041 -6.594 22.162 1.00 0.00 O ATOM 0 H GLU A 42 -14.172 -6.798 17.669 1.00 0.00 H new ATOM 0 HA GLU A 42 -12.415 -5.497 19.496 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -13.076 -8.032 19.142 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -11.737 -8.053 18.010 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -10.884 -8.698 20.219 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -10.229 -7.123 19.817 1.00 0.00 H new ATOM 645 N ASN A 43 -11.516 -5.411 16.402 1.00 0.00 N ATOM 646 CA ASN A 43 -10.453 -4.906 15.482 1.00 0.00 C ATOM 647 C ASN A 43 -10.374 -3.383 15.590 1.00 0.00 C ATOM 648 O ASN A 43 -9.320 -2.795 15.453 1.00 0.00 O ATOM 649 CB ASN A 43 -10.774 -5.295 14.034 1.00 0.00 C ATOM 650 CG ASN A 43 -10.685 -6.814 13.868 1.00 0.00 C ATOM 651 OD1 ASN A 43 -9.834 -7.307 13.155 1.00 0.00 O ATOM 652 ND2 ASN A 43 -11.531 -7.583 14.496 1.00 0.00 N ATOM 0 H ASN A 43 -12.410 -5.625 15.961 1.00 0.00 H new ATOM 0 HA ASN A 43 -9.499 -5.350 15.765 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -11.773 -4.950 13.769 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -10.077 -4.805 13.354 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -11.477 -8.596 14.388 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -12.246 -7.172 15.095 1.00 0.00 H new ATOM 659 N LEU A 44 -11.483 -2.740 15.832 1.00 0.00 N ATOM 660 CA LEU A 44 -11.473 -1.255 15.946 1.00 0.00 C ATOM 661 C LEU A 44 -10.881 -0.848 17.297 1.00 0.00 C ATOM 662 O LEU A 44 -10.256 0.186 17.426 1.00 0.00 O ATOM 663 CB LEU A 44 -12.905 -0.729 15.838 1.00 0.00 C ATOM 664 CG LEU A 44 -13.373 -0.831 14.386 1.00 0.00 C ATOM 665 CD1 LEU A 44 -13.583 -2.301 14.019 1.00 0.00 C ATOM 666 CD2 LEU A 44 -14.689 -0.070 14.220 1.00 0.00 C ATOM 0 H LEU A 44 -12.395 -3.179 15.956 1.00 0.00 H new ATOM 0 HA LEU A 44 -10.867 -0.833 15.144 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -13.566 -1.304 16.486 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -12.951 0.307 16.175 1.00 0.00 H new ATOM 0 HG LEU A 44 -12.618 -0.398 13.730 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -13.917 -2.373 12.984 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -12.645 -2.843 14.137 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -14.338 -2.735 14.675 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -15.023 -0.142 13.185 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -15.444 -0.502 14.876 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -14.539 0.978 14.480 1.00 0.00 H new ATOM 678 N ILE A 45 -11.074 -1.652 18.306 1.00 0.00 N ATOM 679 CA ILE A 45 -10.523 -1.308 19.647 1.00 0.00 C ATOM 680 C ILE A 45 -9.029 -1.637 19.686 1.00 0.00 C ATOM 681 O ILE A 45 -8.212 -0.818 20.058 1.00 0.00 O ATOM 682 CB ILE A 45 -11.246 -2.121 20.724 1.00 0.00 C ATOM 683 CG1 ILE A 45 -12.739 -2.191 20.401 1.00 0.00 C ATOM 684 CG2 ILE A 45 -11.051 -1.451 22.085 1.00 0.00 C ATOM 685 CD1 ILE A 45 -13.292 -0.775 20.231 1.00 0.00 C ATOM 0 H ILE A 45 -11.589 -2.531 18.260 1.00 0.00 H new ATOM 0 HA ILE A 45 -10.669 -0.244 19.833 1.00 0.00 H new ATOM 0 HB ILE A 45 -10.834 -3.130 20.751 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -12.898 -2.767 19.489 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -13.271 -2.707 21.200 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -11.566 -2.029 22.852 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -9.987 -1.404 22.318 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -11.461 -0.441 22.056 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -14.356 -0.825 20.001 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -13.147 -0.214 21.154 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -12.768 -0.275 19.417 1.00 0.00 H new ATOM 697 N ARG A 46 -8.667 -2.833 19.309 1.00 0.00 N ATOM 698 CA ARG A 46 -7.226 -3.216 19.329 1.00 0.00 C ATOM 699 C ARG A 46 -6.536 -2.696 18.067 1.00 0.00 C ATOM 700 O ARG A 46 -5.363 -2.382 18.075 1.00 0.00 O ATOM 701 CB ARG A 46 -7.105 -4.739 19.386 1.00 0.00 C ATOM 702 CG ARG A 46 -7.700 -5.249 20.700 1.00 0.00 C ATOM 703 CD ARG A 46 -7.470 -6.757 20.813 1.00 0.00 C ATOM 704 NE ARG A 46 -8.192 -7.282 22.005 1.00 0.00 N ATOM 705 CZ ARG A 46 -8.176 -6.612 23.126 1.00 0.00 C ATOM 706 NH1 ARG A 46 -7.121 -5.922 23.460 1.00 0.00 N ATOM 707 NH2 ARG A 46 -9.217 -6.634 23.912 1.00 0.00 N ATOM 0 H ARG A 46 -9.306 -3.561 18.988 1.00 0.00 H new ATOM 0 HA ARG A 46 -6.749 -2.779 20.206 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -7.626 -5.188 18.540 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -6.059 -5.035 19.309 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -7.239 -4.736 21.544 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -8.767 -5.029 20.738 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -7.823 -7.258 19.911 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -6.404 -6.968 20.898 1.00 0.00 H new ATOM 0 HE ARG A 46 -8.699 -8.165 21.946 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -6.307 -5.905 22.845 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -7.110 -5.399 24.336 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -10.042 -7.174 23.651 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -9.206 -6.111 24.788 1.00 0.00 H new ATOM 721 N GLN A 47 -7.254 -2.604 16.982 1.00 0.00 N ATOM 722 CA GLN A 47 -6.636 -2.107 15.720 1.00 0.00 C ATOM 723 C GLN A 47 -5.506 -3.049 15.300 1.00 0.00 C ATOM 724 O GLN A 47 -4.503 -2.629 14.758 1.00 0.00 O ATOM 725 CB GLN A 47 -6.070 -0.703 15.947 1.00 0.00 C ATOM 726 CG GLN A 47 -7.177 0.219 16.461 1.00 0.00 C ATOM 727 CD GLN A 47 -6.764 1.677 16.253 1.00 0.00 C ATOM 728 OE1 GLN A 47 -7.601 2.535 16.050 1.00 0.00 O ATOM 729 NE2 GLN A 47 -5.499 1.997 16.295 1.00 0.00 N ATOM 0 H GLN A 47 -8.241 -2.851 16.914 1.00 0.00 H new ATOM 0 HA GLN A 47 -7.392 -2.072 14.935 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -5.252 -0.742 16.666 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -5.659 -0.311 15.017 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -8.109 0.015 15.934 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -7.361 0.029 17.518 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -4.796 1.278 16.465 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -5.213 2.966 16.158 1.00 0.00 H new ATOM 738 N THR A 48 -5.659 -4.322 15.547 1.00 0.00 N ATOM 739 CA THR A 48 -4.593 -5.290 15.163 1.00 0.00 C ATOM 740 C THR A 48 -5.042 -6.092 13.938 1.00 0.00 C ATOM 741 O THR A 48 -4.350 -6.979 13.479 1.00 0.00 O ATOM 742 CB THR A 48 -4.329 -6.247 16.329 1.00 0.00 C ATOM 743 OG1 THR A 48 -5.484 -7.044 16.554 1.00 0.00 O ATOM 744 CG2 THR A 48 -4.007 -5.443 17.590 1.00 0.00 C ATOM 0 H THR A 48 -6.476 -4.733 15.998 1.00 0.00 H new ATOM 0 HA THR A 48 -3.680 -4.745 14.924 1.00 0.00 H new ATOM 0 HB THR A 48 -3.483 -6.891 16.087 1.00 0.00 H new ATOM 0 HG1 THR A 48 -5.462 -7.826 15.964 1.00 0.00 H new ATOM 0 HG21 THR A 48 -3.819 -6.126 18.419 1.00 0.00 H new ATOM 0 HG22 THR A 48 -3.121 -4.832 17.416 1.00 0.00 H new ATOM 0 HG23 THR A 48 -4.850 -4.798 17.835 1.00 0.00 H new ATOM 752 N ASN A 49 -6.194 -5.789 13.405 1.00 0.00 N ATOM 753 CA ASN A 49 -6.683 -6.536 12.212 1.00 0.00 C ATOM 754 C ASN A 49 -6.932 -7.997 12.589 1.00 0.00 C ATOM 755 O ASN A 49 -6.483 -8.906 11.920 1.00 0.00 O ATOM 756 CB ASN A 49 -5.634 -6.466 11.099 1.00 0.00 C ATOM 757 CG ASN A 49 -5.299 -5.003 10.803 1.00 0.00 C ATOM 758 OD1 ASN A 49 -4.143 -4.630 10.758 1.00 0.00 O ATOM 759 ND2 ASN A 49 -6.267 -4.153 10.597 1.00 0.00 N ATOM 0 H ASN A 49 -6.818 -5.057 13.744 1.00 0.00 H new ATOM 0 HA ASN A 49 -7.613 -6.089 11.862 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -4.734 -7.002 11.399 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -6.010 -6.953 10.199 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -6.054 -3.176 10.398 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -7.237 -4.466 10.635 1.00 0.00 H new ATOM 766 N THR A 50 -7.647 -8.230 13.655 1.00 0.00 N ATOM 767 CA THR A 50 -7.929 -9.633 14.073 1.00 0.00 C ATOM 768 C THR A 50 -9.035 -10.214 13.193 1.00 0.00 C ATOM 769 O THR A 50 -10.086 -9.626 13.031 1.00 0.00 O ATOM 770 CB THR A 50 -8.384 -9.652 15.534 1.00 0.00 C ATOM 771 OG1 THR A 50 -7.384 -9.056 16.348 1.00 0.00 O ATOM 772 CG2 THR A 50 -8.614 -11.099 15.980 1.00 0.00 C ATOM 0 H THR A 50 -8.048 -7.510 14.255 1.00 0.00 H new ATOM 0 HA THR A 50 -7.023 -10.230 13.966 1.00 0.00 H new ATOM 0 HB THR A 50 -9.314 -9.092 15.633 1.00 0.00 H new ATOM 0 HG1 THR A 50 -6.539 -9.539 16.235 1.00 0.00 H new ATOM 0 HG21 THR A 50 -8.938 -11.112 17.021 1.00 0.00 H new ATOM 0 HG22 THR A 50 -9.382 -11.555 15.355 1.00 0.00 H new ATOM 0 HG23 THR A 50 -7.686 -11.662 15.882 1.00 0.00 H new ATOM 780 N HIS A 51 -8.810 -11.366 12.627 1.00 0.00 N ATOM 781 CA HIS A 51 -9.851 -11.985 11.760 1.00 0.00 C ATOM 782 C HIS A 51 -10.416 -13.222 12.456 1.00 0.00 C ATOM 783 O HIS A 51 -10.100 -13.505 13.595 1.00 0.00 O ATOM 784 CB HIS A 51 -9.232 -12.399 10.425 1.00 0.00 C ATOM 785 CG HIS A 51 -8.131 -11.441 10.059 1.00 0.00 C ATOM 786 ND1 HIS A 51 -8.389 -10.176 9.554 1.00 0.00 N ATOM 787 CD2 HIS A 51 -6.764 -11.548 10.122 1.00 0.00 C ATOM 788 CE1 HIS A 51 -7.204 -9.578 9.336 1.00 0.00 C ATOM 789 NE2 HIS A 51 -6.180 -10.370 9.665 1.00 0.00 N ATOM 0 H HIS A 51 -7.950 -11.906 12.727 1.00 0.00 H new ATOM 0 HA HIS A 51 -10.648 -11.263 11.582 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -8.837 -13.413 10.495 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -9.995 -12.407 9.646 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -6.224 -12.415 10.473 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -7.094 -8.578 8.943 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -5.185 -10.157 9.596 1.00 0.00 H new ATOM 797 N ILE A 52 -11.247 -13.965 11.779 1.00 0.00 N ATOM 798 CA ILE A 52 -11.825 -15.184 12.404 1.00 0.00 C ATOM 799 C ILE A 52 -10.897 -16.373 12.154 1.00 0.00 C ATOM 800 O ILE A 52 -10.536 -16.667 11.032 1.00 0.00 O ATOM 801 CB ILE A 52 -13.197 -15.476 11.798 1.00 0.00 C ATOM 802 CG1 ILE A 52 -14.115 -14.271 12.007 1.00 0.00 C ATOM 803 CG2 ILE A 52 -13.797 -16.702 12.487 1.00 0.00 C ATOM 804 CD1 ILE A 52 -15.538 -14.638 11.582 1.00 0.00 C ATOM 0 H ILE A 52 -11.549 -13.780 10.823 1.00 0.00 H new ATOM 0 HA ILE A 52 -11.932 -15.021 13.476 1.00 0.00 H new ATOM 0 HB ILE A 52 -13.094 -15.668 10.730 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -14.103 -13.968 13.054 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -13.757 -13.422 11.425 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -14.777 -16.917 12.060 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -13.141 -17.560 12.339 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -13.902 -16.505 13.554 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -16.195 -13.781 11.730 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -15.542 -14.921 10.529 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -15.893 -15.475 12.183 1.00 0.00 H new ATOM 816 N ARG A 53 -10.511 -17.059 13.192 1.00 0.00 N ATOM 817 CA ARG A 53 -9.609 -18.232 13.020 1.00 0.00 C ATOM 818 C ARG A 53 -10.433 -19.442 12.584 1.00 0.00 C ATOM 819 O ARG A 53 -10.031 -20.211 11.733 1.00 0.00 O ATOM 820 CB ARG A 53 -8.922 -18.538 14.351 1.00 0.00 C ATOM 821 CG ARG A 53 -8.073 -19.801 14.210 1.00 0.00 C ATOM 822 CD ARG A 53 -7.444 -20.147 15.561 1.00 0.00 C ATOM 823 NE ARG A 53 -6.433 -21.225 15.378 1.00 0.00 N ATOM 824 CZ ARG A 53 -6.492 -22.306 16.108 1.00 0.00 C ATOM 825 NH1 ARG A 53 -7.650 -22.805 16.443 1.00 0.00 N ATOM 826 NH2 ARG A 53 -5.392 -22.888 16.502 1.00 0.00 N ATOM 0 H ARG A 53 -10.782 -16.858 14.155 1.00 0.00 H new ATOM 0 HA ARG A 53 -8.857 -18.011 12.263 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -8.295 -17.698 14.650 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -9.668 -18.674 15.134 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -8.690 -20.629 13.861 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -7.294 -19.647 13.463 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -6.974 -19.263 15.992 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -8.215 -20.472 16.260 1.00 0.00 H new ATOM 0 HE ARG A 53 -5.695 -21.119 14.682 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -8.510 -22.351 16.135 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -7.696 -23.649 17.013 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -4.487 -22.498 16.240 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -5.438 -23.732 17.072 1.00 0.00 H new ATOM 840 N SER A 54 -11.586 -19.611 13.163 1.00 0.00 N ATOM 841 CA SER A 54 -12.451 -20.764 12.795 1.00 0.00 C ATOM 842 C SER A 54 -13.886 -20.471 13.230 1.00 0.00 C ATOM 843 O SER A 54 -14.120 -19.745 14.176 1.00 0.00 O ATOM 844 CB SER A 54 -11.951 -22.026 13.500 1.00 0.00 C ATOM 845 OG SER A 54 -12.239 -23.162 12.698 1.00 0.00 O ATOM 0 H SER A 54 -11.970 -18.996 13.881 1.00 0.00 H new ATOM 0 HA SER A 54 -12.417 -20.918 11.716 1.00 0.00 H new ATOM 0 HB2 SER A 54 -10.878 -21.955 13.677 1.00 0.00 H new ATOM 0 HB3 SER A 54 -12.429 -22.125 14.474 1.00 0.00 H new ATOM 0 HG SER A 54 -11.917 -23.971 13.149 1.00 0.00 H new ATOM 851 N THR A 55 -14.851 -21.025 12.551 1.00 0.00 N ATOM 852 CA THR A 55 -16.266 -20.769 12.936 1.00 0.00 C ATOM 853 C THR A 55 -16.547 -21.410 14.296 1.00 0.00 C ATOM 854 O THR A 55 -15.976 -22.424 14.646 1.00 0.00 O ATOM 855 CB THR A 55 -17.202 -21.368 11.884 1.00 0.00 C ATOM 856 OG1 THR A 55 -17.168 -22.786 11.974 1.00 0.00 O ATOM 857 CG2 THR A 55 -16.749 -20.933 10.489 1.00 0.00 C ATOM 0 H THR A 55 -14.722 -21.642 11.749 1.00 0.00 H new ATOM 0 HA THR A 55 -16.436 -19.694 12.998 1.00 0.00 H new ATOM 0 HB THR A 55 -18.219 -21.017 12.060 1.00 0.00 H new ATOM 0 HG1 THR A 55 -17.768 -23.171 11.302 1.00 0.00 H new ATOM 0 HG21 THR A 55 -17.416 -21.360 9.740 1.00 0.00 H new ATOM 0 HG22 THR A 55 -16.775 -19.845 10.421 1.00 0.00 H new ATOM 0 HG23 THR A 55 -15.732 -21.283 10.311 1.00 0.00 H new ATOM 865 N GLY A 56 -17.420 -20.822 15.067 1.00 0.00 N ATOM 866 CA GLY A 56 -17.736 -21.391 16.407 1.00 0.00 C ATOM 867 C GLY A 56 -16.709 -20.895 17.422 1.00 0.00 C ATOM 868 O GLY A 56 -15.671 -20.371 17.068 1.00 0.00 O ATOM 0 H GLY A 56 -17.929 -19.971 14.826 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -18.739 -21.094 16.713 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -17.725 -22.480 16.364 1.00 0.00 H new ATOM 872 N LYS A 57 -16.990 -21.057 18.683 1.00 0.00 N ATOM 873 CA LYS A 57 -16.032 -20.597 19.726 1.00 0.00 C ATOM 874 C LYS A 57 -14.679 -21.271 19.500 1.00 0.00 C ATOM 875 O LYS A 57 -14.600 -22.363 18.973 1.00 0.00 O ATOM 876 CB LYS A 57 -16.565 -20.971 21.111 1.00 0.00 C ATOM 877 CG LYS A 57 -15.517 -20.628 22.172 1.00 0.00 C ATOM 878 CD LYS A 57 -15.958 -21.187 23.526 1.00 0.00 C ATOM 879 CE LYS A 57 -15.227 -20.446 24.647 1.00 0.00 C ATOM 880 NZ LYS A 57 -15.940 -19.173 24.950 1.00 0.00 N ATOM 0 H LYS A 57 -17.843 -21.489 19.038 1.00 0.00 H new ATOM 0 HA LYS A 57 -15.916 -19.515 19.664 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -17.492 -20.434 21.313 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -16.799 -22.035 21.147 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -14.550 -21.046 21.892 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -15.390 -19.547 22.237 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -17.036 -21.075 23.644 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -15.741 -22.254 23.579 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -15.180 -21.070 25.539 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -14.199 -20.238 24.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -15.443 -18.670 25.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -15.963 -18.577 24.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -16.913 -19.383 25.251 1.00 0.00 H new ATOM 894 N CYS A 58 -13.612 -20.631 19.892 1.00 0.00 N ATOM 895 CA CYS A 58 -12.267 -21.240 19.696 1.00 0.00 C ATOM 896 C CYS A 58 -12.252 -22.643 20.308 1.00 0.00 C ATOM 897 O CYS A 58 -13.189 -23.056 20.961 1.00 0.00 O ATOM 898 CB CYS A 58 -11.209 -20.369 20.375 1.00 0.00 C ATOM 899 SG CYS A 58 -11.048 -18.807 19.474 1.00 0.00 S ATOM 0 H CYS A 58 -13.613 -19.714 20.339 1.00 0.00 H new ATOM 0 HA CYS A 58 -12.047 -21.308 18.631 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -11.490 -20.177 21.411 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -10.252 -20.890 20.396 1.00 0.00 H new