USER MOD reduce.3.24.130724 H: found=0, std=0, add=429, rem=0, adj=14 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 49 ASN : amide:sc= -3.32! C(o=-7.4!,f=-12!) USER MOD Set 1.2: A 51 HIS : +bothHN:sc= -4.1! C(o=-7.4!,f=-21!) USER MOD Set 2.1: A 48 THR OG1 : rot 180:sc= 0.444 USER MOD Set 2.2: A 50 THR OG1 : rot 51:sc= 0.385 USER MOD Set 3.1: A 31 GLN : amide:sc= -1.18 K(o=-5.6,f=-9.3!) USER MOD Set 3.2: A 33 TYR OH : rot 85:sc= -4.45! USER MOD Single : A 4 MET CE :methyl -151:sc= -0.346 (180deg=-2.07!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot -15:sc= -6.59! USER MOD Single : A 16 TYR OH : rot -175:sc= 0.118 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.155) USER MOD Single : A 32 THR OG1 : rot -39:sc= 1.45 USER MOD Single : A 34 ASN : amide:sc= -8.05! C(o=-8.1!,f=-14!) USER MOD Single : A 35 ASN : amide:sc= -7.98! C(o=-8!,f=-22!) USER MOD Single : A 38 MET CE :methyl -146:sc= -0.462 (180deg=-2.43!) USER MOD Single : A 41 HIS : no HE2:sc= -2.62! C(o=-2.6!,f=-6.8!) USER MOD Single : A 43 ASN : amide:sc= -7.8! C(o=-7.8!,f=-8.4!) USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-1.5!) 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+ 159:sc= -0.0545 (180deg=-0.374) USER MOD ----------------------------------------------------------------- ATOM 41 N MET A 4 -15.976 -8.620 5.737 1.00 0.00 N ATOM 42 CA MET A 4 -17.019 -7.573 5.913 1.00 0.00 C ATOM 43 C MET A 4 -16.342 -6.257 6.291 1.00 0.00 C ATOM 44 O MET A 4 -16.854 -5.186 6.033 1.00 0.00 O ATOM 45 CB MET A 4 -17.982 -7.989 7.027 1.00 0.00 C ATOM 46 CG MET A 4 -19.189 -7.050 7.028 1.00 0.00 C ATOM 47 SD MET A 4 -20.302 -7.498 8.382 1.00 0.00 S ATOM 48 CE MET A 4 -20.597 -9.210 7.878 1.00 0.00 C ATOM 0 HA MET A 4 -17.576 -7.450 4.984 1.00 0.00 H new ATOM 0 HB2 MET A 4 -18.308 -9.018 6.877 1.00 0.00 H new ATOM 0 HB3 MET A 4 -17.477 -7.952 7.992 1.00 0.00 H new ATOM 0 HG2 MET A 4 -18.859 -6.017 7.141 1.00 0.00 H new ATOM 0 HG3 MET A 4 -19.714 -7.115 6.075 1.00 0.00 H new ATOM 0 HE1 MET A 4 -21.585 -9.523 8.214 1.00 0.00 H new ATOM 0 HE2 MET A 4 -20.543 -9.284 6.792 1.00 0.00 H new ATOM 0 HE3 MET A 4 -19.841 -9.856 8.324 1.00 0.00 H new ATOM 58 N CYS A 5 -15.187 -6.333 6.893 1.00 0.00 N ATOM 59 CA CYS A 5 -14.467 -5.090 7.280 1.00 0.00 C ATOM 60 C CYS A 5 -13.763 -4.519 6.048 1.00 0.00 C ATOM 61 O CYS A 5 -13.297 -3.397 6.047 1.00 0.00 O ATOM 62 CB CYS A 5 -13.428 -5.412 8.357 1.00 0.00 C ATOM 63 SG CYS A 5 -14.179 -6.444 9.634 1.00 0.00 S ATOM 0 H CYS A 5 -14.712 -7.203 7.133 1.00 0.00 H new ATOM 0 HA CYS A 5 -15.177 -4.361 7.672 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -12.577 -5.928 7.913 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -13.048 -4.490 8.797 1.00 0.00 H new ATOM 68 N LYS A 6 -13.680 -5.288 4.996 1.00 0.00 N ATOM 69 CA LYS A 6 -13.007 -4.795 3.762 1.00 0.00 C ATOM 70 C LYS A 6 -13.672 -3.501 3.294 1.00 0.00 C ATOM 71 O LYS A 6 -13.070 -2.698 2.610 1.00 0.00 O ATOM 72 CB LYS A 6 -13.130 -5.852 2.662 1.00 0.00 C ATOM 73 CG LYS A 6 -12.156 -6.993 2.949 1.00 0.00 C ATOM 74 CD LYS A 6 -12.008 -7.862 1.698 1.00 0.00 C ATOM 75 CE LYS A 6 -13.388 -8.348 1.252 1.00 0.00 C ATOM 76 NZ LYS A 6 -13.669 -7.851 -0.125 1.00 0.00 N ATOM 0 H LYS A 6 -14.050 -6.237 4.939 1.00 0.00 H new ATOM 0 HA LYS A 6 -11.955 -4.605 3.976 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -14.151 -6.232 2.619 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -12.913 -5.409 1.690 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -11.186 -6.592 3.244 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -12.519 -7.595 3.782 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -11.535 -7.291 0.899 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -11.360 -8.713 1.907 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -13.426 -9.437 1.272 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -14.152 -7.990 1.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -14.607 -8.181 -0.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -13.650 -6.811 -0.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -12.946 -8.213 -0.779 1.00 0.00 H new ATOM 90 N ASP A 7 -14.911 -3.291 3.649 1.00 0.00 N ATOM 91 CA ASP A 7 -15.604 -2.047 3.209 1.00 0.00 C ATOM 92 C ASP A 7 -16.649 -1.624 4.247 1.00 0.00 C ATOM 93 O ASP A 7 -17.832 -1.602 3.971 1.00 0.00 O ATOM 94 CB ASP A 7 -16.297 -2.300 1.869 1.00 0.00 C ATOM 95 CG ASP A 7 -15.250 -2.358 0.755 1.00 0.00 C ATOM 96 OD1 ASP A 7 -14.293 -1.607 0.829 1.00 0.00 O ATOM 97 OD2 ASP A 7 -15.424 -3.155 -0.153 1.00 0.00 O ATOM 0 H ASP A 7 -15.470 -3.923 4.221 1.00 0.00 H new ATOM 0 HA ASP A 7 -14.867 -1.251 3.103 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -16.855 -3.236 1.907 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -17.017 -1.508 1.665 1.00 0.00 H new ATOM 102 N TYR A 8 -16.227 -1.273 5.433 1.00 0.00 N ATOM 103 CA TYR A 8 -17.207 -0.838 6.470 1.00 0.00 C ATOM 104 C TYR A 8 -16.727 0.472 7.105 1.00 0.00 C ATOM 105 O TYR A 8 -15.615 0.907 6.881 1.00 0.00 O ATOM 106 CB TYR A 8 -17.353 -1.933 7.540 1.00 0.00 C ATOM 107 CG TYR A 8 -16.274 -1.795 8.591 1.00 0.00 C ATOM 108 CD1 TYR A 8 -14.951 -2.128 8.284 1.00 0.00 C ATOM 109 CD2 TYR A 8 -16.601 -1.334 9.872 1.00 0.00 C ATOM 110 CE1 TYR A 8 -13.953 -2.002 9.258 1.00 0.00 C ATOM 111 CE2 TYR A 8 -15.603 -1.207 10.846 1.00 0.00 C ATOM 112 CZ TYR A 8 -14.279 -1.541 10.538 1.00 0.00 C ATOM 113 OH TYR A 8 -13.296 -1.418 11.498 1.00 0.00 O ATOM 0 H TYR A 8 -15.250 -1.269 5.727 1.00 0.00 H new ATOM 0 HA TYR A 8 -18.181 -0.672 6.009 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -18.335 -1.864 8.008 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -17.291 -2.916 7.073 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -14.699 -2.482 7.295 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -17.623 -1.076 10.109 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -12.932 -2.261 9.021 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -15.855 -0.852 11.834 1.00 0.00 H new ATOM 0 HH TYR A 8 -12.497 -1.908 11.212 1.00 0.00 H new ATOM 123 N ARG A 9 -17.553 1.102 7.894 1.00 0.00 N ATOM 124 CA ARG A 9 -17.135 2.380 8.536 1.00 0.00 C ATOM 125 C ARG A 9 -17.753 2.479 9.932 1.00 0.00 C ATOM 126 O ARG A 9 -18.820 1.958 10.189 1.00 0.00 O ATOM 127 CB ARG A 9 -17.611 3.559 7.685 1.00 0.00 C ATOM 128 CG ARG A 9 -17.073 4.863 8.277 1.00 0.00 C ATOM 129 CD ARG A 9 -15.561 4.939 8.054 1.00 0.00 C ATOM 130 NE ARG A 9 -15.012 6.125 8.771 1.00 0.00 N ATOM 131 CZ ARG A 9 -13.955 6.735 8.311 1.00 0.00 C ATOM 132 NH1 ARG A 9 -12.788 6.520 8.856 1.00 0.00 N ATOM 133 NH2 ARG A 9 -14.061 7.561 7.306 1.00 0.00 N ATOM 0 H ARG A 9 -18.497 0.788 8.121 1.00 0.00 H new ATOM 0 HA ARG A 9 -16.048 2.404 8.617 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -17.265 3.443 6.658 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -18.700 3.583 7.654 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -17.564 5.717 7.810 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -17.297 4.911 9.343 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -15.083 4.029 8.416 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -15.343 5.012 6.989 1.00 0.00 H new ATOM 0 HE ARG A 9 -15.463 6.460 9.622 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -12.703 5.875 9.642 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -11.961 6.997 8.496 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -14.972 7.730 6.879 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -13.233 8.037 6.948 1.00 0.00 H new ATOM 147 N VAL A 10 -17.090 3.146 10.837 1.00 0.00 N ATOM 148 CA VAL A 10 -17.638 3.280 12.216 1.00 0.00 C ATOM 149 C VAL A 10 -17.344 4.686 12.743 1.00 0.00 C ATOM 150 O VAL A 10 -16.229 5.165 12.670 1.00 0.00 O ATOM 151 CB VAL A 10 -16.981 2.244 13.130 1.00 0.00 C ATOM 152 CG1 VAL A 10 -17.418 2.490 14.576 1.00 0.00 C ATOM 153 CG2 VAL A 10 -17.410 0.840 12.701 1.00 0.00 C ATOM 0 H VAL A 10 -16.192 3.604 10.681 1.00 0.00 H new ATOM 0 HA VAL A 10 -18.715 3.115 12.198 1.00 0.00 H new ATOM 0 HB VAL A 10 -15.897 2.331 13.057 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -16.950 1.752 15.228 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -17.113 3.491 14.883 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -18.502 2.403 14.648 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -16.942 0.102 13.352 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -18.494 0.753 12.774 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -17.100 0.664 11.671 1.00 0.00 H new ATOM 163 N LEU A 11 -18.333 5.349 13.274 1.00 0.00 N ATOM 164 CA LEU A 11 -18.111 6.722 13.804 1.00 0.00 C ATOM 165 C LEU A 11 -18.415 6.741 15.304 1.00 0.00 C ATOM 166 O LEU A 11 -18.899 5.774 15.858 1.00 0.00 O ATOM 167 CB LEU A 11 -19.038 7.702 13.081 1.00 0.00 C ATOM 168 CG LEU A 11 -18.232 8.505 12.058 1.00 0.00 C ATOM 169 CD1 LEU A 11 -17.942 7.631 10.838 1.00 0.00 C ATOM 170 CD2 LEU A 11 -19.038 9.732 11.624 1.00 0.00 C ATOM 0 H LEU A 11 -19.287 4.998 13.364 1.00 0.00 H new ATOM 0 HA LEU A 11 -17.074 7.015 13.639 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -19.841 7.159 12.582 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -19.506 8.374 13.800 1.00 0.00 H new ATOM 0 HG LEU A 11 -17.292 8.826 12.507 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -17.368 8.203 10.109 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -17.369 6.756 11.145 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -18.882 7.310 10.389 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -18.465 10.305 10.895 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -19.977 9.410 11.175 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -19.247 10.356 12.493 1.00 0.00 H new ATOM 182 N PRO A 12 -18.125 7.867 15.970 1.00 0.00 N ATOM 183 CA PRO A 12 -18.369 8.019 17.411 1.00 0.00 C ATOM 184 C PRO A 12 -19.866 8.052 17.729 1.00 0.00 C ATOM 185 O PRO A 12 -20.287 7.724 18.821 1.00 0.00 O ATOM 186 CB PRO A 12 -17.729 9.367 17.742 1.00 0.00 C ATOM 187 CG PRO A 12 -17.739 10.112 16.451 1.00 0.00 C ATOM 188 CD PRO A 12 -17.541 9.082 15.376 1.00 0.00 C ATOM 0 HA PRO A 12 -17.961 7.189 17.988 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -18.293 9.896 18.510 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -16.714 9.242 18.121 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -18.681 10.642 16.314 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -16.946 10.859 16.426 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -18.045 9.362 14.451 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -16.486 8.947 15.136 1.00 0.00 H new ATOM 196 N ARG A 13 -20.673 8.443 16.782 1.00 0.00 N ATOM 197 CA ARG A 13 -22.142 8.494 17.026 1.00 0.00 C ATOM 198 C ARG A 13 -22.811 7.312 16.324 1.00 0.00 C ATOM 199 O ARG A 13 -23.865 6.855 16.723 1.00 0.00 O ATOM 200 CB ARG A 13 -22.706 9.804 16.472 1.00 0.00 C ATOM 201 CG ARG A 13 -22.138 10.980 17.267 1.00 0.00 C ATOM 202 CD ARG A 13 -22.768 12.282 16.768 1.00 0.00 C ATOM 203 NE ARG A 13 -22.108 13.440 17.434 1.00 0.00 N ATOM 204 CZ ARG A 13 -22.822 14.300 18.107 1.00 0.00 C ATOM 205 NH1 ARG A 13 -23.982 14.688 17.650 1.00 0.00 N ATOM 206 NH2 ARG A 13 -22.375 14.774 19.239 1.00 0.00 N ATOM 0 H ARG A 13 -20.378 8.730 15.849 1.00 0.00 H new ATOM 0 HA ARG A 13 -22.337 8.441 18.097 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -22.449 9.906 15.418 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -23.794 9.800 16.536 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -22.343 10.848 18.329 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -21.055 11.020 17.154 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -22.659 12.360 15.686 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -23.837 12.287 16.982 1.00 0.00 H new ATOM 0 HE ARG A 13 -21.098 13.560 17.364 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -24.331 14.319 16.766 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -24.539 15.360 18.177 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -21.469 14.472 19.596 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -22.932 15.446 19.766 1.00 0.00 H new ATOM 220 N ILE A 14 -22.206 6.810 15.281 1.00 0.00 N ATOM 221 CA ILE A 14 -22.806 5.656 14.554 1.00 0.00 C ATOM 222 C ILE A 14 -22.401 4.353 15.246 1.00 0.00 C ATOM 223 O ILE A 14 -23.219 3.488 15.492 1.00 0.00 O ATOM 224 CB ILE A 14 -22.299 5.644 13.110 1.00 0.00 C ATOM 225 CG1 ILE A 14 -22.734 6.931 12.406 1.00 0.00 C ATOM 226 CG2 ILE A 14 -22.883 4.437 12.374 1.00 0.00 C ATOM 227 CD1 ILE A 14 -21.972 7.074 11.088 1.00 0.00 C ATOM 0 H ILE A 14 -21.322 7.150 14.902 1.00 0.00 H new ATOM 0 HA ILE A 14 -23.892 5.748 14.558 1.00 0.00 H new ATOM 0 HB ILE A 14 -21.211 5.579 13.108 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -23.807 6.910 12.217 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -22.540 7.792 13.046 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -22.522 4.428 11.346 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -22.573 3.520 12.875 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -23.971 4.501 12.376 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -22.282 7.991 10.586 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -20.901 7.114 11.289 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -22.189 6.219 10.448 1.00 0.00 H new ATOM 239 N GLY A 15 -21.143 4.205 15.563 1.00 0.00 N ATOM 240 CA GLY A 15 -20.686 2.959 16.238 1.00 0.00 C ATOM 241 C GLY A 15 -20.568 1.832 15.210 1.00 0.00 C ATOM 242 O GLY A 15 -20.391 2.069 14.032 1.00 0.00 O ATOM 0 H GLY A 15 -20.413 4.894 15.383 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -19.723 3.127 16.721 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -21.390 2.678 17.021 1.00 0.00 H new ATOM 246 N TYR A 16 -20.664 0.607 15.648 1.00 0.00 N ATOM 247 CA TYR A 16 -20.556 -0.535 14.698 1.00 0.00 C ATOM 248 C TYR A 16 -21.943 -1.136 14.462 1.00 0.00 C ATOM 249 O TYR A 16 -22.815 -1.061 15.305 1.00 0.00 O ATOM 250 CB TYR A 16 -19.632 -1.600 15.289 1.00 0.00 C ATOM 251 CG TYR A 16 -18.933 -2.340 14.174 1.00 0.00 C ATOM 252 CD1 TYR A 16 -19.641 -3.265 13.398 1.00 0.00 C ATOM 253 CD2 TYR A 16 -17.577 -2.103 13.918 1.00 0.00 C ATOM 254 CE1 TYR A 16 -18.993 -3.954 12.365 1.00 0.00 C ATOM 255 CE2 TYR A 16 -16.930 -2.790 12.884 1.00 0.00 C ATOM 256 CZ TYR A 16 -17.636 -3.716 12.109 1.00 0.00 C ATOM 257 OH TYR A 16 -16.998 -4.395 11.092 1.00 0.00 O ATOM 0 H TYR A 16 -20.813 0.348 16.623 1.00 0.00 H new ATOM 0 HA TYR A 16 -20.148 -0.184 13.750 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -18.898 -1.134 15.946 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -20.207 -2.298 15.897 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -20.687 -3.447 13.596 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -17.030 -1.390 14.518 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -19.539 -4.668 11.766 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -15.885 -2.605 12.685 1.00 0.00 H new ATOM 0 HH TYR A 16 -16.044 -4.173 11.099 1.00 0.00 H new ATOM 267 N LEU A 17 -22.155 -1.732 13.320 1.00 0.00 N ATOM 268 CA LEU A 17 -23.486 -2.338 13.030 1.00 0.00 C ATOM 269 C LEU A 17 -23.350 -3.860 12.929 1.00 0.00 C ATOM 270 O LEU A 17 -22.635 -4.374 12.091 1.00 0.00 O ATOM 271 CB LEU A 17 -24.019 -1.784 11.707 1.00 0.00 C ATOM 272 CG LEU A 17 -25.450 -2.280 11.484 1.00 0.00 C ATOM 273 CD1 LEU A 17 -26.379 -1.639 12.517 1.00 0.00 C ATOM 274 CD2 LEU A 17 -25.909 -1.892 10.076 1.00 0.00 C ATOM 0 H LEU A 17 -21.464 -1.825 12.575 1.00 0.00 H new ATOM 0 HA LEU A 17 -24.178 -2.092 13.835 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -23.999 -0.694 11.723 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -23.380 -2.103 10.883 1.00 0.00 H new ATOM 0 HG LEU A 17 -25.480 -3.364 11.592 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -27.398 -1.992 12.358 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -26.052 -1.913 13.520 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -26.350 -0.555 12.409 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -26.928 -2.244 9.915 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -25.879 -0.808 9.969 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -25.247 -2.347 9.339 1.00 0.00 H new ATOM 286 N CYS A 18 -24.029 -4.583 13.777 1.00 0.00 N ATOM 287 CA CYS A 18 -23.941 -6.071 13.732 1.00 0.00 C ATOM 288 C CYS A 18 -25.348 -6.668 13.728 1.00 0.00 C ATOM 289 O CYS A 18 -26.299 -6.045 14.158 1.00 0.00 O ATOM 290 CB CYS A 18 -23.177 -6.570 14.958 1.00 0.00 C ATOM 291 SG CYS A 18 -21.502 -5.889 14.932 1.00 0.00 S ATOM 0 H CYS A 18 -24.642 -4.207 14.500 1.00 0.00 H new ATOM 0 HA CYS A 18 -23.417 -6.377 12.826 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -23.691 -6.267 15.870 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -23.140 -7.659 14.960 1.00 0.00 H new ATOM 296 N PRO A 19 -25.477 -7.905 13.229 1.00 0.00 N ATOM 297 CA PRO A 19 -26.765 -8.603 13.161 1.00 0.00 C ATOM 298 C PRO A 19 -27.235 -9.054 14.546 1.00 0.00 C ATOM 299 O PRO A 19 -26.492 -9.013 15.507 1.00 0.00 O ATOM 300 CB PRO A 19 -26.464 -9.825 12.293 1.00 0.00 C ATOM 301 CG PRO A 19 -25.001 -10.061 12.466 1.00 0.00 C ATOM 302 CD PRO A 19 -24.371 -8.715 12.692 1.00 0.00 C ATOM 0 HA PRO A 19 -27.556 -7.966 12.766 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -27.045 -10.690 12.612 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -26.715 -9.640 11.248 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -24.813 -10.723 13.311 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -24.579 -10.543 11.584 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -23.539 -8.774 13.394 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -23.978 -8.295 11.766 1.00 0.00 H new ATOM 310 N LYS A 20 -28.459 -9.487 14.657 1.00 0.00 N ATOM 311 CA LYS A 20 -28.967 -9.942 15.980 1.00 0.00 C ATOM 312 C LYS A 20 -28.683 -11.436 16.145 1.00 0.00 C ATOM 313 O LYS A 20 -28.788 -11.983 17.225 1.00 0.00 O ATOM 314 CB LYS A 20 -30.475 -9.696 16.061 1.00 0.00 C ATOM 315 CG LYS A 20 -30.765 -8.216 15.804 1.00 0.00 C ATOM 316 CD LYS A 20 -30.085 -7.369 16.882 1.00 0.00 C ATOM 317 CE LYS A 20 -30.483 -5.903 16.706 1.00 0.00 C ATOM 318 NZ LYS A 20 -29.355 -5.026 17.131 1.00 0.00 N ATOM 0 H LYS A 20 -29.129 -9.545 13.890 1.00 0.00 H new ATOM 0 HA LYS A 20 -28.467 -9.386 16.773 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -30.995 -10.312 15.327 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -30.849 -9.986 17.043 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -30.401 -7.929 14.817 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -31.840 -8.038 15.811 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -30.376 -7.719 17.872 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -29.002 -7.474 16.812 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -30.737 -5.707 15.664 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -31.371 -5.683 17.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -29.626 -4.029 17.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -29.133 -5.207 18.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -28.518 -5.230 16.548 1.00 0.00 H new ATOM 332 N ASP A 21 -28.322 -12.100 15.081 1.00 0.00 N ATOM 333 CA ASP A 21 -28.029 -13.557 15.175 1.00 0.00 C ATOM 334 C ASP A 21 -26.758 -13.767 16.000 1.00 0.00 C ATOM 335 O ASP A 21 -25.750 -13.126 15.779 1.00 0.00 O ATOM 336 CB ASP A 21 -27.825 -14.129 13.771 1.00 0.00 C ATOM 337 CG ASP A 21 -29.104 -13.943 12.953 1.00 0.00 C ATOM 338 OD1 ASP A 21 -30.124 -13.637 13.547 1.00 0.00 O ATOM 339 OD2 ASP A 21 -29.041 -14.109 11.746 1.00 0.00 O ATOM 0 H ASP A 21 -28.217 -11.696 14.150 1.00 0.00 H new ATOM 0 HA ASP A 21 -28.865 -14.066 15.656 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -26.991 -13.628 13.280 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -27.570 -15.187 13.831 1.00 0.00 H new ATOM 344 N LEU A 22 -26.797 -14.661 16.948 1.00 0.00 N ATOM 345 CA LEU A 22 -25.591 -14.912 17.786 1.00 0.00 C ATOM 346 C LEU A 22 -24.750 -16.018 17.145 1.00 0.00 C ATOM 347 O LEU A 22 -25.223 -17.111 16.906 1.00 0.00 O ATOM 348 CB LEU A 22 -26.029 -15.346 19.187 1.00 0.00 C ATOM 349 CG LEU A 22 -24.816 -15.380 20.121 1.00 0.00 C ATOM 350 CD1 LEU A 22 -23.933 -16.580 19.772 1.00 0.00 C ATOM 351 CD2 LEU A 22 -24.009 -14.090 19.960 1.00 0.00 C ATOM 0 H LEU A 22 -27.612 -15.229 17.179 1.00 0.00 H new ATOM 0 HA LEU A 22 -24.997 -14.001 17.858 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -26.779 -14.656 19.574 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -26.494 -16.331 19.144 1.00 0.00 H new ATOM 0 HG LEU A 22 -25.157 -15.469 21.152 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -23.070 -16.603 20.438 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -24.506 -17.500 19.889 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -23.593 -16.494 18.740 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -23.146 -14.115 20.625 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -23.669 -14.000 18.928 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -24.636 -13.235 20.212 1.00 0.00 H new ATOM 363 N LYS A 23 -23.503 -15.745 16.865 1.00 0.00 N ATOM 364 CA LYS A 23 -22.638 -16.786 16.239 1.00 0.00 C ATOM 365 C LYS A 23 -21.203 -16.642 16.755 1.00 0.00 C ATOM 366 O LYS A 23 -20.485 -15.740 16.374 1.00 0.00 O ATOM 367 CB LYS A 23 -22.656 -16.616 14.719 1.00 0.00 C ATOM 368 CG LYS A 23 -23.906 -17.287 14.149 1.00 0.00 C ATOM 369 CD LYS A 23 -23.553 -17.995 12.839 1.00 0.00 C ATOM 370 CE LYS A 23 -24.493 -19.184 12.634 1.00 0.00 C ATOM 371 NZ LYS A 23 -25.899 -18.697 12.557 1.00 0.00 N ATOM 0 H LYS A 23 -23.048 -14.850 17.042 1.00 0.00 H new ATOM 0 HA LYS A 23 -23.016 -17.775 16.499 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -22.648 -15.557 14.460 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -21.761 -17.058 14.282 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -24.306 -18.004 14.866 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -24.684 -16.543 13.975 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -23.639 -17.301 12.003 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -22.518 -18.336 12.865 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -24.230 -19.716 11.719 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -24.386 -19.892 13.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -26.517 -19.469 12.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -26.207 -18.377 13.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -25.956 -17.905 11.886 1.00 0.00 H new ATOM 385 N PRO A 24 -20.786 -17.559 17.641 1.00 0.00 N ATOM 386 CA PRO A 24 -19.437 -17.553 18.230 1.00 0.00 C ATOM 387 C PRO A 24 -18.347 -17.818 17.189 1.00 0.00 C ATOM 388 O PRO A 24 -18.332 -18.845 16.542 1.00 0.00 O ATOM 389 CB PRO A 24 -19.488 -18.700 19.241 1.00 0.00 C ATOM 390 CG PRO A 24 -20.562 -19.596 18.729 1.00 0.00 C ATOM 391 CD PRO A 24 -21.596 -18.684 18.137 1.00 0.00 C ATOM 0 HA PRO A 24 -19.189 -16.586 18.668 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -18.532 -19.220 19.301 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -19.717 -18.337 20.243 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -20.173 -20.287 17.981 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -20.985 -20.200 19.532 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -22.152 -19.168 17.334 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -22.325 -18.362 18.880 1.00 0.00 H new ATOM 399 N VAL A 25 -17.432 -16.900 17.029 1.00 0.00 N ATOM 400 CA VAL A 25 -16.339 -17.107 16.036 1.00 0.00 C ATOM 401 C VAL A 25 -14.999 -17.173 16.765 1.00 0.00 C ATOM 402 O VAL A 25 -14.833 -16.615 17.831 1.00 0.00 O ATOM 403 CB VAL A 25 -16.290 -15.936 15.051 1.00 0.00 C ATOM 404 CG1 VAL A 25 -17.646 -15.760 14.370 1.00 0.00 C ATOM 405 CG2 VAL A 25 -15.933 -14.655 15.807 1.00 0.00 C ATOM 0 H VAL A 25 -17.394 -16.019 17.541 1.00 0.00 H new ATOM 0 HA VAL A 25 -16.529 -18.035 15.497 1.00 0.00 H new ATOM 0 HB VAL A 25 -15.536 -16.142 14.291 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -17.597 -14.924 13.672 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -17.902 -16.670 13.828 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -18.408 -15.560 15.123 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -15.897 -13.819 15.109 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -16.688 -14.460 16.569 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -14.959 -14.773 16.283 1.00 0.00 H new ATOM 415 N CYS A 26 -14.034 -17.828 16.187 1.00 0.00 N ATOM 416 CA CYS A 26 -12.698 -17.901 16.836 1.00 0.00 C ATOM 417 C CYS A 26 -11.817 -16.805 16.233 1.00 0.00 C ATOM 418 O CYS A 26 -11.843 -16.568 15.043 1.00 0.00 O ATOM 419 CB CYS A 26 -12.070 -19.275 16.582 1.00 0.00 C ATOM 420 SG CYS A 26 -10.419 -19.332 17.323 1.00 0.00 S ATOM 0 H CYS A 26 -14.112 -18.315 15.294 1.00 0.00 H new ATOM 0 HA CYS A 26 -12.792 -17.759 17.913 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -12.698 -20.058 17.007 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -12.006 -19.465 15.511 1.00 0.00 H new ATOM 425 N GLY A 27 -11.052 -16.125 17.037 1.00 0.00 N ATOM 426 CA GLY A 27 -10.190 -15.038 16.494 1.00 0.00 C ATOM 427 C GLY A 27 -8.784 -15.579 16.226 1.00 0.00 C ATOM 428 O GLY A 27 -8.244 -16.342 17.002 1.00 0.00 O ATOM 0 H GLY A 27 -10.985 -16.273 18.044 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -10.621 -14.645 15.573 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -10.143 -14.210 17.202 1.00 0.00 H new ATOM 432 N ASP A 28 -8.189 -15.188 15.133 1.00 0.00 N ATOM 433 CA ASP A 28 -6.818 -15.678 14.815 1.00 0.00 C ATOM 434 C ASP A 28 -5.833 -15.148 15.858 1.00 0.00 C ATOM 435 O ASP A 28 -4.696 -15.573 15.926 1.00 0.00 O ATOM 436 CB ASP A 28 -6.408 -15.184 13.426 1.00 0.00 C ATOM 437 CG ASP A 28 -6.434 -13.655 13.398 1.00 0.00 C ATOM 438 OD1 ASP A 28 -6.530 -13.064 14.462 1.00 0.00 O ATOM 439 OD2 ASP A 28 -6.358 -13.100 12.314 1.00 0.00 O ATOM 0 H ASP A 28 -8.593 -14.551 14.446 1.00 0.00 H new ATOM 0 HA ASP A 28 -6.809 -16.768 14.829 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -5.409 -15.546 13.180 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -7.086 -15.583 12.672 1.00 0.00 H new ATOM 444 N ASP A 29 -6.259 -14.223 16.673 1.00 0.00 N ATOM 445 CA ASP A 29 -5.349 -13.667 17.714 1.00 0.00 C ATOM 446 C ASP A 29 -5.346 -14.592 18.933 1.00 0.00 C ATOM 447 O ASP A 29 -4.779 -14.277 19.961 1.00 0.00 O ATOM 448 CB ASP A 29 -5.841 -12.280 18.130 1.00 0.00 C ATOM 449 CG ASP A 29 -7.224 -12.402 18.773 1.00 0.00 C ATOM 450 OD1 ASP A 29 -7.691 -13.520 18.920 1.00 0.00 O ATOM 451 OD2 ASP A 29 -7.793 -11.376 19.108 1.00 0.00 O ATOM 0 H ASP A 29 -7.199 -13.828 16.663 1.00 0.00 H new ATOM 0 HA ASP A 29 -4.339 -13.590 17.312 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -5.140 -11.829 18.832 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -5.889 -11.623 17.261 1.00 0.00 H new ATOM 456 N GLY A 30 -5.974 -15.731 18.829 1.00 0.00 N ATOM 457 CA GLY A 30 -6.007 -16.671 19.983 1.00 0.00 C ATOM 458 C GLY A 30 -7.161 -16.290 20.913 1.00 0.00 C ATOM 459 O GLY A 30 -7.162 -16.619 22.083 1.00 0.00 O ATOM 0 H GLY A 30 -6.466 -16.051 17.994 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -6.132 -17.694 19.630 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -5.061 -16.634 20.524 1.00 0.00 H new ATOM 463 N GLN A 31 -8.144 -15.601 20.402 1.00 0.00 N ATOM 464 CA GLN A 31 -9.297 -15.198 21.258 1.00 0.00 C ATOM 465 C GLN A 31 -10.603 -15.594 20.569 1.00 0.00 C ATOM 466 O GLN A 31 -10.605 -16.073 19.454 1.00 0.00 O ATOM 467 CB GLN A 31 -9.274 -13.685 21.467 1.00 0.00 C ATOM 468 CG GLN A 31 -8.248 -13.330 22.545 1.00 0.00 C ATOM 469 CD GLN A 31 -8.083 -11.810 22.605 1.00 0.00 C ATOM 470 OE1 GLN A 31 -8.738 -11.088 21.879 1.00 0.00 O ATOM 471 NE2 GLN A 31 -7.230 -11.290 23.444 1.00 0.00 N ATOM 0 H GLN A 31 -8.199 -15.299 19.429 1.00 0.00 H new ATOM 0 HA GLN A 31 -9.225 -15.699 22.223 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -9.023 -13.183 20.533 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -10.263 -13.334 21.762 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -8.574 -13.710 23.513 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -7.291 -13.803 22.323 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -6.680 -11.896 24.053 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -7.113 -10.278 23.491 1.00 0.00 H new ATOM 480 N THR A 32 -11.715 -15.398 21.224 1.00 0.00 N ATOM 481 CA THR A 32 -13.016 -15.767 20.600 1.00 0.00 C ATOM 482 C THR A 32 -14.007 -14.611 20.745 1.00 0.00 C ATOM 483 O THR A 32 -14.070 -13.958 21.769 1.00 0.00 O ATOM 484 CB THR A 32 -13.579 -17.008 21.292 1.00 0.00 C ATOM 485 OG1 THR A 32 -12.558 -17.991 21.401 1.00 0.00 O ATOM 486 CG2 THR A 32 -14.741 -17.564 20.470 1.00 0.00 C ATOM 0 H THR A 32 -11.778 -15.000 22.161 1.00 0.00 H new ATOM 0 HA THR A 32 -12.860 -15.977 19.542 1.00 0.00 H new ATOM 0 HB THR A 32 -13.934 -16.743 22.288 1.00 0.00 H new ATOM 0 HG1 THR A 32 -12.019 -17.995 20.583 1.00 0.00 H new ATOM 0 HG21 THR A 32 -15.144 -18.449 20.962 1.00 0.00 H new ATOM 0 HG22 THR A 32 -15.522 -16.808 20.386 1.00 0.00 H new ATOM 0 HG23 THR A 32 -14.387 -17.832 19.474 1.00 0.00 H new ATOM 494 N TYR A 33 -14.782 -14.357 19.728 1.00 0.00 N ATOM 495 CA TYR A 33 -15.773 -13.247 19.800 1.00 0.00 C ATOM 496 C TYR A 33 -17.186 -13.829 19.709 1.00 0.00 C ATOM 497 O TYR A 33 -17.500 -14.581 18.808 1.00 0.00 O ATOM 498 CB TYR A 33 -15.532 -12.280 18.640 1.00 0.00 C ATOM 499 CG TYR A 33 -14.067 -11.912 18.598 1.00 0.00 C ATOM 500 CD1 TYR A 33 -13.566 -10.933 19.464 1.00 0.00 C ATOM 501 CD2 TYR A 33 -13.210 -12.553 17.697 1.00 0.00 C ATOM 502 CE1 TYR A 33 -12.206 -10.596 19.428 1.00 0.00 C ATOM 503 CE2 TYR A 33 -11.852 -12.214 17.661 1.00 0.00 C ATOM 504 CZ TYR A 33 -11.350 -11.236 18.527 1.00 0.00 C ATOM 505 OH TYR A 33 -10.011 -10.905 18.492 1.00 0.00 O ATOM 0 H TYR A 33 -14.772 -14.872 18.847 1.00 0.00 H new ATOM 0 HA TYR A 33 -15.664 -12.711 20.743 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -15.831 -12.741 17.698 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -16.141 -11.385 18.764 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -14.227 -10.438 20.160 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -13.596 -13.309 17.029 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -11.819 -9.841 20.097 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -11.191 -12.708 16.964 1.00 0.00 H new ATOM 0 HH TYR A 33 -9.528 -11.422 19.171 1.00 0.00 H new ATOM 515 N ASN A 34 -18.035 -13.497 20.641 1.00 0.00 N ATOM 516 CA ASN A 34 -19.421 -14.042 20.613 1.00 0.00 C ATOM 517 C ASN A 34 -20.028 -13.861 19.218 1.00 0.00 C ATOM 518 O ASN A 34 -20.078 -14.783 18.434 1.00 0.00 O ATOM 519 CB ASN A 34 -20.277 -13.321 21.659 1.00 0.00 C ATOM 520 CG ASN A 34 -21.557 -14.120 21.906 1.00 0.00 C ATOM 521 OD1 ASN A 34 -21.794 -15.126 21.267 1.00 0.00 O ATOM 522 ND2 ASN A 34 -22.400 -13.713 22.816 1.00 0.00 N ATOM 0 H ASN A 34 -17.829 -12.872 21.421 1.00 0.00 H new ATOM 0 HA ASN A 34 -19.394 -15.106 20.846 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -19.719 -13.211 22.589 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -20.523 -12.317 21.314 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -23.256 -14.239 22.990 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -22.202 -12.869 23.353 1.00 0.00 H new ATOM 529 N ASN A 35 -20.488 -12.685 18.897 1.00 0.00 N ATOM 530 CA ASN A 35 -21.086 -12.464 17.550 1.00 0.00 C ATOM 531 C ASN A 35 -19.965 -12.239 16.530 1.00 0.00 C ATOM 532 O ASN A 35 -18.929 -11.690 16.850 1.00 0.00 O ATOM 533 CB ASN A 35 -22.006 -11.240 17.609 1.00 0.00 C ATOM 534 CG ASN A 35 -22.387 -10.796 16.197 1.00 0.00 C ATOM 535 OD1 ASN A 35 -21.531 -10.518 15.385 1.00 0.00 O ATOM 536 ND2 ASN A 35 -23.648 -10.714 15.873 1.00 0.00 N ATOM 0 H ASN A 35 -20.476 -11.868 19.507 1.00 0.00 H new ATOM 0 HA ASN A 35 -21.668 -13.335 17.248 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -22.905 -11.479 18.178 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -21.505 -10.425 18.132 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -23.915 -10.416 14.935 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -24.367 -10.948 16.558 1.00 0.00 H new ATOM 543 N PRO A 36 -20.177 -12.678 15.277 1.00 0.00 N ATOM 544 CA PRO A 36 -19.182 -12.531 14.205 1.00 0.00 C ATOM 545 C PRO A 36 -18.902 -11.062 13.886 1.00 0.00 C ATOM 546 O PRO A 36 -17.769 -10.623 13.899 1.00 0.00 O ATOM 547 CB PRO A 36 -19.837 -13.231 13.011 1.00 0.00 C ATOM 548 CG PRO A 36 -21.295 -13.172 13.311 1.00 0.00 C ATOM 549 CD PRO A 36 -21.398 -13.344 14.799 1.00 0.00 C ATOM 0 HA PRO A 36 -18.215 -12.954 14.477 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -19.602 -12.726 12.074 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -19.491 -14.260 12.913 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -21.724 -12.222 12.994 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -21.837 -13.958 12.785 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -22.298 -12.879 15.201 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -21.427 -14.395 15.086 1.00 0.00 H new ATOM 557 N CYS A 37 -19.918 -10.290 13.621 1.00 0.00 N ATOM 558 CA CYS A 37 -19.685 -8.852 13.333 1.00 0.00 C ATOM 559 C CYS A 37 -19.056 -8.219 14.573 1.00 0.00 C ATOM 560 O CYS A 37 -18.309 -7.265 14.491 1.00 0.00 O ATOM 561 CB CYS A 37 -21.017 -8.166 13.014 1.00 0.00 C ATOM 562 SG CYS A 37 -20.818 -6.369 13.094 1.00 0.00 S ATOM 0 H CYS A 37 -20.892 -10.591 13.592 1.00 0.00 H new ATOM 0 HA CYS A 37 -19.023 -8.738 12.475 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -21.359 -8.459 12.021 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -21.781 -8.488 13.722 1.00 0.00 H new ATOM 567 N MET A 38 -19.347 -8.761 15.724 1.00 0.00 N ATOM 568 CA MET A 38 -18.763 -8.214 16.977 1.00 0.00 C ATOM 569 C MET A 38 -17.250 -8.429 16.953 1.00 0.00 C ATOM 570 O MET A 38 -16.519 -7.869 17.746 1.00 0.00 O ATOM 571 CB MET A 38 -19.369 -8.940 18.180 1.00 0.00 C ATOM 572 CG MET A 38 -20.620 -8.195 18.651 1.00 0.00 C ATOM 573 SD MET A 38 -20.139 -6.625 19.410 1.00 0.00 S ATOM 574 CE MET A 38 -19.117 -7.316 20.736 1.00 0.00 C ATOM 0 H MET A 38 -19.966 -9.562 15.849 1.00 0.00 H new ATOM 0 HA MET A 38 -18.981 -7.149 17.055 1.00 0.00 H new ATOM 0 HB2 MET A 38 -19.624 -9.965 17.909 1.00 0.00 H new ATOM 0 HB3 MET A 38 -18.640 -8.996 18.989 1.00 0.00 H new ATOM 0 HG2 MET A 38 -21.287 -8.014 17.808 1.00 0.00 H new ATOM 0 HG3 MET A 38 -21.170 -8.804 19.368 1.00 0.00 H new ATOM 0 HE1 MET A 38 -19.205 -6.693 21.626 1.00 0.00 H new ATOM 0 HE2 MET A 38 -19.454 -8.327 20.966 1.00 0.00 H new ATOM 0 HE3 MET A 38 -18.076 -7.345 20.415 1.00 0.00 H new ATOM 584 N LEU A 39 -16.772 -9.231 16.039 1.00 0.00 N ATOM 585 CA LEU A 39 -15.307 -9.476 15.956 1.00 0.00 C ATOM 586 C LEU A 39 -14.629 -8.229 15.387 1.00 0.00 C ATOM 587 O LEU A 39 -13.767 -7.641 16.009 1.00 0.00 O ATOM 588 CB LEU A 39 -15.040 -10.674 15.042 1.00 0.00 C ATOM 589 CG LEU A 39 -13.535 -10.935 14.968 1.00 0.00 C ATOM 590 CD1 LEU A 39 -13.278 -12.441 14.881 1.00 0.00 C ATOM 591 CD2 LEU A 39 -12.967 -10.263 13.722 1.00 0.00 C ATOM 0 H LEU A 39 -17.335 -9.726 15.347 1.00 0.00 H new ATOM 0 HA LEU A 39 -14.909 -9.690 16.948 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -15.554 -11.557 15.422 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -15.435 -10.479 14.045 1.00 0.00 H new ATOM 0 HG LEU A 39 -13.055 -10.532 15.860 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -12.205 -12.625 14.828 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -13.687 -12.932 15.764 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -13.759 -12.841 13.988 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -11.894 -10.447 13.666 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -13.452 -10.671 12.835 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -13.149 -9.189 13.773 1.00 0.00 H new ATOM 603 N CYS A 40 -15.024 -7.810 14.214 1.00 0.00 N ATOM 604 CA CYS A 40 -14.412 -6.588 13.622 1.00 0.00 C ATOM 605 C CYS A 40 -14.371 -5.499 14.693 1.00 0.00 C ATOM 606 O CYS A 40 -13.374 -4.835 14.884 1.00 0.00 O ATOM 607 CB CYS A 40 -15.250 -6.117 12.434 1.00 0.00 C ATOM 608 SG CYS A 40 -14.186 -5.249 11.260 1.00 0.00 S ATOM 0 H CYS A 40 -15.740 -8.259 13.644 1.00 0.00 H new ATOM 0 HA CYS A 40 -13.402 -6.805 13.274 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -15.726 -6.969 11.949 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -16.048 -5.458 12.776 1.00 0.00 H new ATOM 613 N HIS A 41 -15.443 -5.324 15.412 1.00 0.00 N ATOM 614 CA HIS A 41 -15.445 -4.295 16.485 1.00 0.00 C ATOM 615 C HIS A 41 -14.185 -4.474 17.322 1.00 0.00 C ATOM 616 O HIS A 41 -13.444 -3.542 17.566 1.00 0.00 O ATOM 617 CB HIS A 41 -16.671 -4.493 17.373 1.00 0.00 C ATOM 618 CG HIS A 41 -17.065 -3.180 17.987 1.00 0.00 C ATOM 619 ND1 HIS A 41 -17.325 -2.056 17.220 1.00 0.00 N ATOM 620 CD2 HIS A 41 -17.246 -2.793 19.293 1.00 0.00 C ATOM 621 CE1 HIS A 41 -17.644 -1.056 18.062 1.00 0.00 C ATOM 622 NE2 HIS A 41 -17.612 -1.452 19.337 1.00 0.00 N ATOM 0 H HIS A 41 -16.313 -5.846 15.304 1.00 0.00 H new ATOM 0 HA HIS A 41 -15.472 -3.296 16.050 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -17.497 -4.894 16.786 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -16.453 -5.221 18.155 1.00 0.00 H new ATOM 0 HD1 HIS A 41 -17.282 -1.997 16.203 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -17.123 -3.433 20.154 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -17.895 -0.055 17.745 1.00 0.00 H new ATOM 630 N GLU A 42 -13.934 -5.678 17.756 1.00 0.00 N ATOM 631 CA GLU A 42 -12.722 -5.940 18.570 1.00 0.00 C ATOM 632 C GLU A 42 -11.489 -5.488 17.788 1.00 0.00 C ATOM 633 O GLU A 42 -10.436 -5.260 18.348 1.00 0.00 O ATOM 634 CB GLU A 42 -12.630 -7.435 18.870 1.00 0.00 C ATOM 635 CG GLU A 42 -13.408 -7.736 20.153 1.00 0.00 C ATOM 636 CD GLU A 42 -12.839 -6.901 21.303 1.00 0.00 C ATOM 637 OE1 GLU A 42 -11.626 -6.836 21.418 1.00 0.00 O ATOM 638 OE2 GLU A 42 -13.627 -6.342 22.047 1.00 0.00 O ATOM 0 H GLU A 42 -14.521 -6.493 17.579 1.00 0.00 H new ATOM 0 HA GLU A 42 -12.776 -5.390 19.509 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -13.037 -8.011 18.039 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -11.588 -7.732 18.984 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -14.465 -7.508 20.012 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -13.340 -8.797 20.392 1.00 0.00 H new ATOM 645 N ASN A 43 -11.616 -5.341 16.496 1.00 0.00 N ATOM 646 CA ASN A 43 -10.445 -4.884 15.690 1.00 0.00 C ATOM 647 C ASN A 43 -10.298 -3.372 15.857 1.00 0.00 C ATOM 648 O ASN A 43 -9.206 -2.841 15.887 1.00 0.00 O ATOM 649 CB ASN A 43 -10.652 -5.208 14.206 1.00 0.00 C ATOM 650 CG ASN A 43 -10.633 -6.723 13.986 1.00 0.00 C ATOM 651 OD1 ASN A 43 -9.778 -7.232 13.292 1.00 0.00 O ATOM 652 ND2 ASN A 43 -11.545 -7.470 14.546 1.00 0.00 N ATOM 0 H ASN A 43 -12.471 -5.515 15.967 1.00 0.00 H new ATOM 0 HA ASN A 43 -9.549 -5.398 16.037 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -11.602 -4.796 13.866 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -9.869 -4.737 13.611 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -11.538 -8.479 14.400 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -12.265 -7.044 15.130 1.00 0.00 H new ATOM 659 N LEU A 44 -11.397 -2.673 15.968 1.00 0.00 N ATOM 660 CA LEU A 44 -11.328 -1.195 16.138 1.00 0.00 C ATOM 661 C LEU A 44 -10.824 -0.871 17.545 1.00 0.00 C ATOM 662 O LEU A 44 -10.176 0.132 17.769 1.00 0.00 O ATOM 663 CB LEU A 44 -12.722 -0.594 15.946 1.00 0.00 C ATOM 664 CG LEU A 44 -13.192 -0.840 14.511 1.00 0.00 C ATOM 665 CD1 LEU A 44 -14.484 -0.061 14.257 1.00 0.00 C ATOM 666 CD2 LEU A 44 -12.114 -0.367 13.533 1.00 0.00 C ATOM 0 H LEU A 44 -12.339 -3.064 15.948 1.00 0.00 H new ATOM 0 HA LEU A 44 -10.646 -0.774 15.399 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -13.423 -1.042 16.651 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -12.700 0.476 16.154 1.00 0.00 H new ATOM 0 HG LEU A 44 -13.374 -1.905 14.366 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -14.819 -0.236 13.235 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -15.253 -0.395 14.953 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -14.301 1.004 14.402 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -12.448 -0.542 12.510 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -11.933 0.698 13.678 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -11.192 -0.920 13.713 1.00 0.00 H new ATOM 678 N ILE A 45 -11.119 -1.714 18.497 1.00 0.00 N ATOM 679 CA ILE A 45 -10.658 -1.457 19.889 1.00 0.00 C ATOM 680 C ILE A 45 -9.191 -1.869 20.022 1.00 0.00 C ATOM 681 O ILE A 45 -8.363 -1.110 20.485 1.00 0.00 O ATOM 682 CB ILE A 45 -11.508 -2.271 20.866 1.00 0.00 C ATOM 683 CG1 ILE A 45 -12.966 -2.269 20.397 1.00 0.00 C ATOM 684 CG2 ILE A 45 -11.418 -1.648 22.260 1.00 0.00 C ATOM 685 CD1 ILE A 45 -13.867 -2.795 21.516 1.00 0.00 C ATOM 0 H ILE A 45 -11.660 -2.570 18.370 1.00 0.00 H new ATOM 0 HA ILE A 45 -10.760 -0.396 20.117 1.00 0.00 H new ATOM 0 HB ILE A 45 -11.140 -3.296 20.903 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -13.267 -1.259 20.118 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -13.073 -2.890 19.508 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -12.023 -2.227 22.957 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -10.380 -1.649 22.593 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -11.786 -0.623 22.225 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -14.904 -2.793 21.180 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -13.571 -3.812 21.773 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -13.769 -2.156 22.393 1.00 0.00 H new ATOM 697 N ARG A 46 -8.863 -3.064 19.614 1.00 0.00 N ATOM 698 CA ARG A 46 -7.449 -3.521 19.712 1.00 0.00 C ATOM 699 C ARG A 46 -6.651 -2.947 18.541 1.00 0.00 C ATOM 700 O ARG A 46 -5.479 -2.651 18.660 1.00 0.00 O ATOM 701 CB ARG A 46 -7.398 -5.049 19.659 1.00 0.00 C ATOM 702 CG ARG A 46 -8.214 -5.629 20.816 1.00 0.00 C ATOM 703 CD ARG A 46 -8.106 -7.156 20.799 1.00 0.00 C ATOM 704 NE ARG A 46 -8.994 -7.728 21.850 1.00 0.00 N ATOM 705 CZ ARG A 46 -8.512 -8.006 23.030 1.00 0.00 C ATOM 706 NH1 ARG A 46 -7.542 -7.285 23.525 1.00 0.00 N ATOM 707 NH2 ARG A 46 -8.999 -9.005 23.716 1.00 0.00 N ATOM 0 H ARG A 46 -9.513 -3.743 19.217 1.00 0.00 H new ATOM 0 HA ARG A 46 -7.021 -3.177 20.653 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -7.794 -5.404 18.707 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -6.365 -5.391 19.722 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -7.848 -5.238 21.765 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -9.257 -5.326 20.727 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -8.390 -7.540 19.819 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -7.074 -7.460 20.974 1.00 0.00 H new ATOM 0 HE ARG A 46 -9.978 -7.902 21.647 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -7.162 -6.505 22.989 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -7.165 -7.502 24.448 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -9.756 -9.568 23.329 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -8.622 -9.222 24.639 1.00 0.00 H new ATOM 721 N GLN A 47 -7.281 -2.787 17.410 1.00 0.00 N ATOM 722 CA GLN A 47 -6.564 -2.233 16.228 1.00 0.00 C ATOM 723 C GLN A 47 -5.423 -3.173 15.835 1.00 0.00 C ATOM 724 O GLN A 47 -4.343 -2.742 15.485 1.00 0.00 O ATOM 725 CB GLN A 47 -5.997 -0.856 16.577 1.00 0.00 C ATOM 726 CG GLN A 47 -7.148 0.093 16.917 1.00 0.00 C ATOM 727 CD GLN A 47 -6.585 1.462 17.302 1.00 0.00 C ATOM 728 OE1 GLN A 47 -5.406 1.597 17.562 1.00 0.00 O ATOM 729 NE2 GLN A 47 -7.385 2.493 17.350 1.00 0.00 N ATOM 0 H GLN A 47 -8.262 -3.016 17.254 1.00 0.00 H new ATOM 0 HA GLN A 47 -7.258 -2.139 15.393 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -5.314 -0.935 17.423 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -5.422 -0.463 15.738 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -7.817 0.191 16.062 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -7.738 -0.313 17.739 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -8.375 2.381 17.132 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -7.020 3.410 17.606 1.00 0.00 H new ATOM 738 N THR A 48 -5.656 -4.456 15.890 1.00 0.00 N ATOM 739 CA THR A 48 -4.587 -5.425 15.521 1.00 0.00 C ATOM 740 C THR A 48 -4.993 -6.176 14.250 1.00 0.00 C ATOM 741 O THR A 48 -4.320 -7.092 13.820 1.00 0.00 O ATOM 742 CB THR A 48 -4.391 -6.428 16.660 1.00 0.00 C ATOM 743 OG1 THR A 48 -5.538 -7.259 16.758 1.00 0.00 O ATOM 744 CG2 THR A 48 -4.188 -5.676 17.977 1.00 0.00 C ATOM 0 H THR A 48 -6.541 -4.875 16.175 1.00 0.00 H new ATOM 0 HA THR A 48 -3.656 -4.886 15.345 1.00 0.00 H new ATOM 0 HB THR A 48 -3.513 -7.042 16.457 1.00 0.00 H new ATOM 0 HG1 THR A 48 -5.414 -7.903 17.486 1.00 0.00 H new ATOM 0 HG21 THR A 48 -4.049 -6.392 18.787 1.00 0.00 H new ATOM 0 HG22 THR A 48 -3.307 -5.039 17.900 1.00 0.00 H new ATOM 0 HG23 THR A 48 -5.064 -5.061 18.183 1.00 0.00 H new ATOM 752 N ASN A 49 -6.087 -5.800 13.648 1.00 0.00 N ATOM 753 CA ASN A 49 -6.533 -6.496 12.408 1.00 0.00 C ATOM 754 C ASN A 49 -6.826 -7.964 12.725 1.00 0.00 C ATOM 755 O ASN A 49 -6.344 -8.861 12.064 1.00 0.00 O ATOM 756 CB ASN A 49 -5.433 -6.409 11.349 1.00 0.00 C ATOM 757 CG ASN A 49 -5.969 -6.931 10.015 1.00 0.00 C ATOM 758 OD1 ASN A 49 -5.373 -7.798 9.405 1.00 0.00 O ATOM 759 ND2 ASN A 49 -7.075 -6.437 9.531 1.00 0.00 N ATOM 0 H ASN A 49 -6.692 -5.041 13.961 1.00 0.00 H new ATOM 0 HA ASN A 49 -7.437 -6.020 12.029 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -5.098 -5.377 11.240 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -4.567 -6.994 11.659 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -7.439 -6.778 8.641 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -7.575 -5.710 10.042 1.00 0.00 H new ATOM 766 N THR A 50 -7.612 -8.214 13.736 1.00 0.00 N ATOM 767 CA THR A 50 -7.940 -9.621 14.102 1.00 0.00 C ATOM 768 C THR A 50 -9.015 -10.163 13.158 1.00 0.00 C ATOM 769 O THR A 50 -10.002 -9.510 12.884 1.00 0.00 O ATOM 770 CB THR A 50 -8.466 -9.664 15.538 1.00 0.00 C ATOM 771 OG1 THR A 50 -7.459 -9.193 16.424 1.00 0.00 O ATOM 772 CG2 THR A 50 -8.839 -11.103 15.904 1.00 0.00 C ATOM 0 H THR A 50 -8.043 -7.502 14.326 1.00 0.00 H new ATOM 0 HA THR A 50 -7.041 -10.232 14.019 1.00 0.00 H new ATOM 0 HB THR A 50 -9.349 -9.030 15.621 1.00 0.00 H new ATOM 0 HG1 THR A 50 -7.124 -8.328 16.108 1.00 0.00 H new ATOM 0 HG21 THR A 50 -9.214 -11.133 16.927 1.00 0.00 H new ATOM 0 HG22 THR A 50 -9.611 -11.463 15.224 1.00 0.00 H new ATOM 0 HG23 THR A 50 -7.958 -11.739 15.822 1.00 0.00 H new ATOM 780 N HIS A 51 -8.838 -11.358 12.668 1.00 0.00 N ATOM 781 CA HIS A 51 -9.854 -11.945 11.751 1.00 0.00 C ATOM 782 C HIS A 51 -10.472 -13.178 12.410 1.00 0.00 C ATOM 783 O HIS A 51 -10.254 -13.450 13.574 1.00 0.00 O ATOM 784 CB HIS A 51 -9.191 -12.359 10.438 1.00 0.00 C ATOM 785 CG HIS A 51 -8.162 -11.335 10.044 1.00 0.00 C ATOM 786 ND1 HIS A 51 -6.858 -11.379 10.508 1.00 0.00 N ATOM 787 CD2 HIS A 51 -8.231 -10.237 9.223 1.00 0.00 C ATOM 788 CE1 HIS A 51 -6.199 -10.337 9.969 1.00 0.00 C ATOM 789 NE2 HIS A 51 -6.991 -9.608 9.178 1.00 0.00 N ATOM 0 H HIS A 51 -8.033 -11.954 12.863 1.00 0.00 H new ATOM 0 HA HIS A 51 -10.626 -11.203 11.547 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -8.721 -13.336 10.549 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -9.942 -12.454 9.654 1.00 0.00 H new ATOM 0 HD1 HIS A 51 -6.468 -12.075 11.143 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -9.114 -9.911 8.693 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -5.158 -10.117 10.153 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -6.740 -8.770 8.653 1.00 0.00 H new ATOM 797 N ILE A 52 -11.237 -13.930 11.671 1.00 0.00 N ATOM 798 CA ILE A 52 -11.864 -15.150 12.250 1.00 0.00 C ATOM 799 C ILE A 52 -10.965 -16.357 11.988 1.00 0.00 C ATOM 800 O ILE A 52 -10.634 -16.666 10.860 1.00 0.00 O ATOM 801 CB ILE A 52 -13.231 -15.382 11.606 1.00 0.00 C ATOM 802 CG1 ILE A 52 -14.155 -14.207 11.932 1.00 0.00 C ATOM 803 CG2 ILE A 52 -13.832 -16.673 12.163 1.00 0.00 C ATOM 804 CD1 ILE A 52 -15.579 -14.541 11.483 1.00 0.00 C ATOM 0 H ILE A 52 -11.456 -13.753 10.691 1.00 0.00 H new ATOM 0 HA ILE A 52 -11.990 -15.016 13.324 1.00 0.00 H new ATOM 0 HB ILE A 52 -13.120 -15.464 10.525 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -14.138 -14.003 13.003 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -13.806 -13.305 11.430 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -14.808 -16.846 11.709 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -13.172 -17.510 11.935 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -13.946 -16.585 13.243 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -16.239 -13.705 11.714 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -15.588 -14.724 10.409 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -15.926 -15.432 12.006 1.00 0.00 H new ATOM 816 N ARG A 53 -10.564 -17.040 13.022 1.00 0.00 N ATOM 817 CA ARG A 53 -9.685 -18.228 12.843 1.00 0.00 C ATOM 818 C ARG A 53 -10.533 -19.437 12.456 1.00 0.00 C ATOM 819 O ARG A 53 -10.166 -20.225 11.607 1.00 0.00 O ATOM 820 CB ARG A 53 -8.968 -18.530 14.157 1.00 0.00 C ATOM 821 CG ARG A 53 -8.061 -19.745 13.975 1.00 0.00 C ATOM 822 CD ARG A 53 -7.248 -19.973 15.251 1.00 0.00 C ATOM 823 NE ARG A 53 -6.323 -21.124 15.053 1.00 0.00 N ATOM 824 CZ ARG A 53 -6.802 -22.307 14.781 1.00 0.00 C ATOM 825 NH1 ARG A 53 -6.966 -22.677 13.540 1.00 0.00 N ATOM 826 NH2 ARG A 53 -7.116 -23.122 15.751 1.00 0.00 N ATOM 0 H ARG A 53 -10.808 -16.825 13.989 1.00 0.00 H new ATOM 0 HA ARG A 53 -8.956 -18.021 12.059 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -8.380 -17.667 14.469 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -9.696 -18.721 14.945 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -8.659 -20.628 13.750 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -7.392 -19.589 13.128 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -6.681 -19.076 15.499 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -7.916 -20.170 16.090 1.00 0.00 H new ATOM 0 HE ARG A 53 -5.315 -20.987 15.130 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -6.720 -22.041 12.781 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -7.340 -23.602 13.329 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -6.987 -22.834 16.721 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -7.490 -24.047 15.539 1.00 0.00 H new ATOM 840 N SER A 54 -11.662 -19.590 13.084 1.00 0.00 N ATOM 841 CA SER A 54 -12.538 -20.749 12.773 1.00 0.00 C ATOM 842 C SER A 54 -13.962 -20.456 13.251 1.00 0.00 C ATOM 843 O SER A 54 -14.165 -19.814 14.263 1.00 0.00 O ATOM 844 CB SER A 54 -12.005 -21.987 13.493 1.00 0.00 C ATOM 845 OG SER A 54 -12.635 -22.108 14.759 1.00 0.00 O ATOM 0 H SER A 54 -12.017 -18.959 13.803 1.00 0.00 H new ATOM 0 HA SER A 54 -12.547 -20.924 11.697 1.00 0.00 H new ATOM 0 HB2 SER A 54 -12.194 -22.878 12.894 1.00 0.00 H new ATOM 0 HB3 SER A 54 -10.925 -21.911 13.619 1.00 0.00 H new ATOM 0 HG SER A 54 -12.294 -22.903 15.219 1.00 0.00 H new ATOM 851 N THR A 55 -14.948 -20.921 12.536 1.00 0.00 N ATOM 852 CA THR A 55 -16.354 -20.668 12.958 1.00 0.00 C ATOM 853 C THR A 55 -16.610 -21.346 14.304 1.00 0.00 C ATOM 854 O THR A 55 -16.167 -22.451 14.549 1.00 0.00 O ATOM 855 CB THR A 55 -17.314 -21.234 11.908 1.00 0.00 C ATOM 856 OG1 THR A 55 -17.323 -22.652 11.997 1.00 0.00 O ATOM 857 CG2 THR A 55 -16.858 -20.811 10.511 1.00 0.00 C ATOM 0 H THR A 55 -14.842 -21.464 11.679 1.00 0.00 H new ATOM 0 HA THR A 55 -16.517 -19.595 13.055 1.00 0.00 H new ATOM 0 HB THR A 55 -18.318 -20.850 12.088 1.00 0.00 H new ATOM 0 HG1 THR A 55 -17.938 -23.018 11.327 1.00 0.00 H new ATOM 0 HG21 THR A 55 -17.544 -21.216 9.766 1.00 0.00 H new ATOM 0 HG22 THR A 55 -16.851 -19.723 10.444 1.00 0.00 H new ATOM 0 HG23 THR A 55 -15.854 -21.192 10.325 1.00 0.00 H new ATOM 865 N GLY A 56 -17.321 -20.692 15.182 1.00 0.00 N ATOM 866 CA GLY A 56 -17.606 -21.297 16.513 1.00 0.00 C ATOM 867 C GLY A 56 -16.514 -20.893 17.502 1.00 0.00 C ATOM 868 O GLY A 56 -15.448 -20.450 17.123 1.00 0.00 O ATOM 0 H GLY A 56 -17.717 -19.764 15.034 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -18.579 -20.965 16.874 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -17.651 -22.383 16.428 1.00 0.00 H new ATOM 872 N LYS A 57 -16.775 -21.046 18.766 1.00 0.00 N ATOM 873 CA LYS A 57 -15.757 -20.676 19.789 1.00 0.00 C ATOM 874 C LYS A 57 -14.412 -21.303 19.420 1.00 0.00 C ATOM 875 O LYS A 57 -14.351 -22.364 18.832 1.00 0.00 O ATOM 876 CB LYS A 57 -16.200 -21.187 21.161 1.00 0.00 C ATOM 877 CG LYS A 57 -15.258 -20.644 22.238 1.00 0.00 C ATOM 878 CD LYS A 57 -15.610 -21.272 23.588 1.00 0.00 C ATOM 879 CE LYS A 57 -14.805 -20.584 24.693 1.00 0.00 C ATOM 880 NZ LYS A 57 -15.329 -19.205 24.905 1.00 0.00 N ATOM 0 H LYS A 57 -17.651 -21.412 19.139 1.00 0.00 H new ATOM 0 HA LYS A 57 -15.655 -19.591 19.823 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -17.223 -20.871 21.365 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -16.194 -22.277 21.174 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -14.224 -20.870 21.979 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -15.343 -19.559 22.297 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -16.678 -21.169 23.782 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -15.390 -22.340 23.573 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -14.874 -21.157 25.618 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -13.751 -20.546 24.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -15.052 -18.870 25.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -14.935 -18.569 24.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -16.366 -19.213 24.831 1.00 0.00 H new ATOM 894 N CYS A 58 -13.331 -20.654 19.761 1.00 0.00 N ATOM 895 CA CYS A 58 -11.989 -21.213 19.431 1.00 0.00 C ATOM 896 C CYS A 58 -11.906 -22.660 19.921 1.00 0.00 C ATOM 897 O CYS A 58 -11.257 -23.494 19.322 1.00 0.00 O ATOM 898 CB CYS A 58 -10.907 -20.379 20.119 1.00 0.00 C ATOM 899 SG CYS A 58 -10.719 -18.804 19.248 1.00 0.00 S ATOM 0 H CYS A 58 -13.320 -19.761 20.254 1.00 0.00 H new ATOM 0 HA CYS A 58 -11.838 -21.185 18.352 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -11.176 -20.202 21.160 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -9.961 -20.921 20.122 1.00 0.00 H new