USER MOD reduce.3.24.130724 H: found=0, std=0, add=664, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 666 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 50 TYR OH : rot -137:sc= 0.116 USER MOD Set 1.2: B 31 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 31 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: B 50 TYR OH : rot -145:sc= 0.124 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 MET CE :methyl 169:sc= -1.79 (180deg=-1.93) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ -161:sc= -1.63! (180deg=-2.13!) USER MOD Single : A 26 THR OG1 : rot 82:sc= 0.132 USER MOD Single : A 29 LYS NZ :NH3+ 165:sc= -0.0438 (180deg=-0.32) USER MOD Single : A 32 CYS SG : rot 23:sc= -5.41! USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= 1.17 K(o=1.2,f=0) USER MOD Single : A 36 ASN : amide:sc= -0.0554 K(o=-0.055,f=-1.3!) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.118 USER MOD Single : A 41 GLN : amide:sc= -1.65 K(o=-1.7,f=-0.58) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -3.75! K(o=-3.8!,f=-1.1) USER MOD Single : B 19 TYR OH : rot 180:sc= 0 USER MOD Single : B 20 MET CE :methyl 173:sc= -1.93 (180deg=-2.04) USER MOD Single : B 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 25 LYS NZ :NH3+ -156:sc= -1.59! (180deg=-2.51!) USER MOD Single : B 26 THR OG1 : rot 82:sc= 0.118 USER MOD Single : B 29 LYS NZ :NH3+ 164:sc= -0.0425 (180deg=-0.349) USER MOD Single : B 32 CYS SG : rot 28:sc= -5.41! USER MOD Single : B 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 35 ASN : amide:sc= 1.19 K(o=1.2,f=0) USER MOD Single : B 36 ASN : amide:sc= -0.0576 K(o=-0.058,f=-1.4!) USER MOD Single : B 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 40 THR OG1 : rot 180:sc= -0.0643 USER MOD Single : B 41 GLN : amide:sc= -1.6 K(o=-1.6,f=-0.57) USER MOD Single : B 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 52 GLN : amide:sc= -3.55! K(o=-3.5!,f=-1) USER MOD ----------------------------------------------------------------- ATOM 62 N ALA A 14 -8.163 6.783 8.847 1.00 0.00 N ATOM 63 CA ALA A 14 -8.182 5.556 9.616 1.00 0.00 C ATOM 64 C ALA A 14 -6.757 5.140 9.927 1.00 0.00 C ATOM 65 O ALA A 14 -5.812 5.676 9.355 1.00 0.00 O ATOM 66 CB ALA A 14 -8.890 4.458 8.845 1.00 0.00 C ATOM 0 HA ALA A 14 -8.724 5.724 10.547 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -8.895 3.543 9.437 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -9.916 4.762 8.638 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -8.368 4.279 7.905 1.00 0.00 H new ATOM 72 N VAL A 15 -6.599 4.184 10.820 1.00 0.00 N ATOM 73 CA VAL A 15 -5.273 3.700 11.169 1.00 0.00 C ATOM 74 C VAL A 15 -5.064 2.328 10.559 1.00 0.00 C ATOM 75 O VAL A 15 -6.026 1.661 10.172 1.00 0.00 O ATOM 76 CB VAL A 15 -5.065 3.597 12.694 1.00 0.00 C ATOM 77 CG1 VAL A 15 -3.586 3.601 13.050 1.00 0.00 C ATOM 78 CG2 VAL A 15 -5.798 4.708 13.420 1.00 0.00 C ATOM 0 H VAL A 15 -7.365 3.728 11.316 1.00 0.00 H new ATOM 0 HA VAL A 15 -4.553 4.420 10.779 1.00 0.00 H new ATOM 0 HB VAL A 15 -5.485 2.646 13.021 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -3.472 3.527 14.132 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -3.095 2.752 12.575 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -3.130 4.527 12.699 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -5.634 4.611 14.493 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -5.423 5.674 13.081 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -6.865 4.639 13.208 1.00 0.00 H new ATOM 88 N PHE A 16 -3.818 1.910 10.480 1.00 0.00 N ATOM 89 CA PHE A 16 -3.491 0.617 9.919 1.00 0.00 C ATOM 90 C PHE A 16 -2.202 0.103 10.534 1.00 0.00 C ATOM 91 O PHE A 16 -1.183 0.790 10.508 1.00 0.00 O ATOM 92 CB PHE A 16 -3.352 0.732 8.404 1.00 0.00 C ATOM 93 CG PHE A 16 -3.605 -0.552 7.671 1.00 0.00 C ATOM 94 CD1 PHE A 16 -4.747 -1.292 7.931 1.00 0.00 C ATOM 95 CD2 PHE A 16 -2.719 -1.005 6.710 1.00 0.00 C ATOM 96 CE1 PHE A 16 -4.999 -2.463 7.245 1.00 0.00 C ATOM 97 CE2 PHE A 16 -2.967 -2.177 6.024 1.00 0.00 C ATOM 98 CZ PHE A 16 -4.107 -2.905 6.291 1.00 0.00 C ATOM 0 H PHE A 16 -3.013 2.449 10.798 1.00 0.00 H new ATOM 0 HA PHE A 16 -4.291 -0.089 10.143 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -4.048 1.489 8.042 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -2.348 1.083 8.167 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -5.447 -0.949 8.678 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -1.826 -0.437 6.495 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -5.893 -3.032 7.455 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -2.268 -2.524 5.278 1.00 0.00 H new ATOM 0 HZ PHE A 16 -4.301 -3.821 5.753 1.00 0.00 H new ATOM 108 N GLY A 17 -2.266 -1.091 11.103 1.00 0.00 N ATOM 109 CA GLY A 17 -1.104 -1.683 11.738 1.00 0.00 C ATOM 110 C GLY A 17 -0.887 -3.108 11.284 1.00 0.00 C ATOM 111 O GLY A 17 -1.537 -4.027 11.781 1.00 0.00 O ATOM 0 H GLY A 17 -3.108 -1.666 11.137 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -0.220 -1.088 11.507 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -1.229 -1.661 12.821 1.00 0.00 H new ATOM 115 N ILE A 18 0.020 -3.298 10.337 1.00 0.00 N ATOM 116 CA ILE A 18 0.227 -4.607 9.734 1.00 0.00 C ATOM 117 C ILE A 18 1.689 -5.023 9.784 1.00 0.00 C ATOM 118 O ILE A 18 2.558 -4.229 10.150 1.00 0.00 O ATOM 119 CB ILE A 18 -0.238 -4.622 8.271 1.00 0.00 C ATOM 120 CG1 ILE A 18 0.510 -3.562 7.454 1.00 0.00 C ATOM 121 CG2 ILE A 18 -1.735 -4.392 8.212 1.00 0.00 C ATOM 122 CD1 ILE A 18 0.264 -3.658 5.968 1.00 0.00 C ATOM 0 H ILE A 18 0.624 -2.563 9.970 1.00 0.00 H new ATOM 0 HA ILE A 18 -0.366 -5.314 10.315 1.00 0.00 H new ATOM 0 HB ILE A 18 -0.013 -5.596 7.836 1.00 0.00 H new ATOM 0 HG12 ILE A 18 0.212 -2.572 7.800 1.00 0.00 H new ATOM 0 HG13 ILE A 18 1.579 -3.657 7.643 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -2.064 -4.403 7.173 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -2.246 -5.181 8.763 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -1.973 -3.426 8.658 1.00 0.00 H new ATOM 0 HD11 ILE A 18 0.825 -2.877 5.455 1.00 0.00 H new ATOM 0 HD12 ILE A 18 0.589 -4.634 5.608 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -0.800 -3.532 5.766 1.00 0.00 H new ATOM 134 N TYR A 19 1.948 -6.271 9.417 1.00 0.00 N ATOM 135 CA TYR A 19 3.305 -6.779 9.345 1.00 0.00 C ATOM 136 C TYR A 19 3.654 -7.132 7.905 1.00 0.00 C ATOM 137 O TYR A 19 3.316 -8.210 7.414 1.00 0.00 O ATOM 138 CB TYR A 19 3.473 -8.005 10.244 1.00 0.00 C ATOM 139 CG TYR A 19 3.175 -7.733 11.700 1.00 0.00 C ATOM 140 CD1 TYR A 19 4.028 -6.954 12.470 1.00 0.00 C ATOM 141 CD2 TYR A 19 2.035 -8.249 12.304 1.00 0.00 C ATOM 142 CE1 TYR A 19 3.756 -6.700 13.799 1.00 0.00 C ATOM 143 CE2 TYR A 19 1.756 -7.996 13.634 1.00 0.00 C ATOM 144 CZ TYR A 19 2.619 -7.223 14.377 1.00 0.00 C ATOM 145 OH TYR A 19 2.344 -6.964 15.702 1.00 0.00 O ATOM 0 H TYR A 19 1.230 -6.950 9.164 1.00 0.00 H new ATOM 0 HA TYR A 19 3.984 -6.002 9.696 1.00 0.00 H new ATOM 0 HB2 TYR A 19 2.815 -8.798 9.889 1.00 0.00 H new ATOM 0 HB3 TYR A 19 4.495 -8.374 10.154 1.00 0.00 H new ATOM 0 HD1 TYR A 19 4.919 -6.540 12.022 1.00 0.00 H new ATOM 0 HD2 TYR A 19 1.356 -8.857 11.725 1.00 0.00 H new ATOM 0 HE1 TYR A 19 4.432 -6.094 14.384 1.00 0.00 H new ATOM 0 HE2 TYR A 19 0.865 -8.403 14.088 1.00 0.00 H new ATOM 0 HH TYR A 19 1.506 -7.405 15.954 1.00 0.00 H new ATOM 155 N MET A 20 4.315 -6.205 7.235 1.00 0.00 N ATOM 156 CA MET A 20 4.676 -6.366 5.825 1.00 0.00 C ATOM 157 C MET A 20 6.176 -6.617 5.682 1.00 0.00 C ATOM 158 O MET A 20 6.933 -6.359 6.616 1.00 0.00 O ATOM 159 CB MET A 20 4.261 -5.116 5.030 1.00 0.00 C ATOM 160 CG MET A 20 4.938 -3.830 5.491 1.00 0.00 C ATOM 161 SD MET A 20 4.134 -2.339 4.855 1.00 0.00 S ATOM 162 CE MET A 20 4.428 -2.487 3.095 1.00 0.00 C ATOM 0 H MET A 20 4.618 -5.321 7.644 1.00 0.00 H new ATOM 0 HA MET A 20 4.146 -7.229 5.424 1.00 0.00 H new ATOM 0 HB2 MET A 20 4.490 -5.276 3.976 1.00 0.00 H new ATOM 0 HB3 MET A 20 3.181 -4.992 5.106 1.00 0.00 H new ATOM 0 HG2 MET A 20 4.940 -3.798 6.581 1.00 0.00 H new ATOM 0 HG3 MET A 20 5.980 -3.839 5.170 1.00 0.00 H new ATOM 0 HE1 MET A 20 3.827 -1.750 2.562 1.00 0.00 H new ATOM 0 HE2 MET A 20 5.484 -2.314 2.887 1.00 0.00 H new ATOM 0 HE3 MET A 20 4.152 -3.488 2.763 1.00 0.00 H new ATOM 172 N ASP A 21 6.606 -7.120 4.520 1.00 0.00 N ATOM 173 CA ASP A 21 8.026 -7.384 4.281 1.00 0.00 C ATOM 174 C ASP A 21 8.855 -6.119 4.430 1.00 0.00 C ATOM 175 O ASP A 21 8.353 -5.003 4.256 1.00 0.00 O ATOM 176 CB ASP A 21 8.281 -7.965 2.887 1.00 0.00 C ATOM 177 CG ASP A 21 8.230 -9.480 2.842 1.00 0.00 C ATOM 178 OD1 ASP A 21 9.281 -10.119 3.072 1.00 0.00 O ATOM 179 OD2 ASP A 21 7.157 -10.039 2.548 1.00 0.00 O ATOM 0 H ASP A 21 5.995 -7.351 3.736 1.00 0.00 H new ATOM 0 HA ASP A 21 8.324 -8.116 5.031 1.00 0.00 H new ATOM 0 HB2 ASP A 21 7.541 -7.564 2.195 1.00 0.00 H new ATOM 0 HB3 ASP A 21 9.258 -7.632 2.537 1.00 0.00 H new ATOM 184 N LYS A 22 10.132 -6.294 4.709 1.00 0.00 N ATOM 185 CA LYS A 22 11.012 -5.168 4.931 1.00 0.00 C ATOM 186 C LYS A 22 11.437 -4.551 3.617 1.00 0.00 C ATOM 187 O LYS A 22 11.100 -3.412 3.346 1.00 0.00 O ATOM 188 CB LYS A 22 12.247 -5.598 5.721 1.00 0.00 C ATOM 189 CG LYS A 22 13.265 -4.484 5.896 1.00 0.00 C ATOM 190 CD LYS A 22 14.448 -4.931 6.737 1.00 0.00 C ATOM 191 CE LYS A 22 15.477 -3.821 6.883 1.00 0.00 C ATOM 192 NZ LYS A 22 16.625 -4.242 7.726 1.00 0.00 N ATOM 0 H LYS A 22 10.582 -7.206 4.787 1.00 0.00 H new ATOM 0 HA LYS A 22 10.463 -4.424 5.508 1.00 0.00 H new ATOM 0 HB2 LYS A 22 11.936 -5.954 6.703 1.00 0.00 H new ATOM 0 HB3 LYS A 22 12.721 -6.438 5.213 1.00 0.00 H new ATOM 0 HG2 LYS A 22 13.617 -4.156 4.918 1.00 0.00 H new ATOM 0 HG3 LYS A 22 12.787 -3.625 6.367 1.00 0.00 H new ATOM 0 HD2 LYS A 22 14.100 -5.238 7.723 1.00 0.00 H new ATOM 0 HD3 LYS A 22 14.914 -5.803 6.278 1.00 0.00 H new ATOM 0 HE2 LYS A 22 15.838 -3.528 5.897 1.00 0.00 H new ATOM 0 HE3 LYS A 22 15.005 -2.943 7.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 17.305 -3.459 7.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 16.284 -4.498 8.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 17.091 -5.064 7.292 1.00 0.00 H new ATOM 206 N ASP A 23 12.150 -5.327 2.804 1.00 0.00 N ATOM 207 CA ASP A 23 12.718 -4.825 1.547 1.00 0.00 C ATOM 208 C ASP A 23 11.688 -4.060 0.733 1.00 0.00 C ATOM 209 O ASP A 23 11.994 -3.036 0.133 1.00 0.00 O ATOM 210 CB ASP A 23 13.270 -5.968 0.700 1.00 0.00 C ATOM 211 CG ASP A 23 13.841 -5.475 -0.618 1.00 0.00 C ATOM 212 OD1 ASP A 23 14.985 -4.975 -0.622 1.00 0.00 O ATOM 213 OD2 ASP A 23 13.146 -5.586 -1.654 1.00 0.00 O ATOM 0 H ASP A 23 12.351 -6.309 2.991 1.00 0.00 H new ATOM 0 HA ASP A 23 13.528 -4.148 1.817 1.00 0.00 H new ATOM 0 HB2 ASP A 23 14.046 -6.491 1.258 1.00 0.00 H new ATOM 0 HB3 ASP A 23 12.477 -6.690 0.504 1.00 0.00 H new ATOM 218 N LEU A 24 10.468 -4.560 0.727 1.00 0.00 N ATOM 219 CA LEU A 24 9.384 -3.934 0.006 1.00 0.00 C ATOM 220 C LEU A 24 8.987 -2.601 0.630 1.00 0.00 C ATOM 221 O LEU A 24 9.015 -1.564 -0.036 1.00 0.00 O ATOM 222 CB LEU A 24 8.204 -4.881 -0.006 1.00 0.00 C ATOM 223 CG LEU A 24 6.858 -4.219 -0.200 1.00 0.00 C ATOM 224 CD1 LEU A 24 6.329 -4.476 -1.595 1.00 0.00 C ATOM 225 CD2 LEU A 24 5.907 -4.713 0.867 1.00 0.00 C ATOM 0 H LEU A 24 10.203 -5.411 1.222 1.00 0.00 H new ATOM 0 HA LEU A 24 9.712 -3.725 -1.012 1.00 0.00 H new ATOM 0 HB2 LEU A 24 8.351 -5.612 -0.801 1.00 0.00 H new ATOM 0 HB3 LEU A 24 8.189 -5.432 0.934 1.00 0.00 H new ATOM 0 HG LEU A 24 6.960 -3.139 -0.099 1.00 0.00 H new ATOM 0 HD11 LEU A 24 5.360 -3.991 -1.712 1.00 0.00 H new ATOM 0 HD12 LEU A 24 7.027 -4.074 -2.329 1.00 0.00 H new ATOM 0 HD13 LEU A 24 6.218 -5.549 -1.750 1.00 0.00 H new ATOM 0 HD21 LEU A 24 4.934 -4.240 0.734 1.00 0.00 H new ATOM 0 HD22 LEU A 24 5.799 -5.795 0.786 1.00 0.00 H new ATOM 0 HD23 LEU A 24 6.302 -4.461 1.851 1.00 0.00 H new ATOM 237 N LYS A 25 8.607 -2.631 1.907 1.00 0.00 N ATOM 238 CA LYS A 25 8.228 -1.417 2.617 1.00 0.00 C ATOM 239 C LYS A 25 9.393 -0.431 2.629 1.00 0.00 C ATOM 240 O LYS A 25 9.207 0.781 2.571 1.00 0.00 O ATOM 241 CB LYS A 25 7.851 -1.760 4.053 1.00 0.00 C ATOM 242 CG LYS A 25 7.192 -0.620 4.797 1.00 0.00 C ATOM 243 CD LYS A 25 7.082 -0.915 6.282 1.00 0.00 C ATOM 244 CE LYS A 25 8.347 -0.520 7.036 1.00 0.00 C ATOM 245 NZ LYS A 25 9.535 -1.316 6.619 1.00 0.00 N ATOM 0 H LYS A 25 8.555 -3.482 2.467 1.00 0.00 H new ATOM 0 HA LYS A 25 7.376 -0.964 2.109 1.00 0.00 H new ATOM 0 HB2 LYS A 25 7.177 -2.617 4.048 1.00 0.00 H new ATOM 0 HB3 LYS A 25 8.748 -2.064 4.592 1.00 0.00 H new ATOM 0 HG2 LYS A 25 7.767 0.294 4.648 1.00 0.00 H new ATOM 0 HG3 LYS A 25 6.198 -0.442 4.386 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.229 -0.377 6.697 1.00 0.00 H new ATOM 0 HD3 LYS A 25 6.890 -1.978 6.428 1.00 0.00 H new ATOM 0 HE2 LYS A 25 8.548 0.539 6.872 1.00 0.00 H new ATOM 0 HE3 LYS A 25 8.184 -0.651 8.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 10.271 -1.252 7.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 9.259 -2.311 6.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 9.906 -0.942 5.722 1.00 0.00 H new ATOM 259 N THR A 26 10.592 -0.985 2.692 1.00 0.00 N ATOM 260 CA THR A 26 11.817 -0.205 2.763 1.00 0.00 C ATOM 261 C THR A 26 12.151 0.392 1.401 1.00 0.00 C ATOM 262 O THR A 26 12.664 1.506 1.305 1.00 0.00 O ATOM 263 CB THR A 26 12.986 -1.071 3.292 1.00 0.00 C ATOM 264 OG1 THR A 26 12.779 -1.356 4.683 1.00 0.00 O ATOM 265 CG2 THR A 26 14.331 -0.381 3.106 1.00 0.00 C ATOM 0 H THR A 26 10.744 -1.994 2.695 1.00 0.00 H new ATOM 0 HA THR A 26 11.663 0.616 3.463 1.00 0.00 H new ATOM 0 HB THR A 26 13.005 -1.997 2.717 1.00 0.00 H new ATOM 0 HG1 THR A 26 12.166 -2.115 4.774 1.00 0.00 H new ATOM 0 HG21 THR A 26 15.125 -1.022 3.490 1.00 0.00 H new ATOM 0 HG22 THR A 26 14.499 -0.191 2.046 1.00 0.00 H new ATOM 0 HG23 THR A 26 14.333 0.564 3.649 1.00 0.00 H new ATOM 273 N ARG A 27 11.830 -0.346 0.353 1.00 0.00 N ATOM 274 CA ARG A 27 11.960 0.148 -1.009 1.00 0.00 C ATOM 275 C ARG A 27 11.137 1.417 -1.169 1.00 0.00 C ATOM 276 O ARG A 27 11.637 2.458 -1.593 1.00 0.00 O ATOM 277 CB ARG A 27 11.482 -0.931 -1.989 1.00 0.00 C ATOM 278 CG ARG A 27 11.200 -0.429 -3.392 1.00 0.00 C ATOM 279 CD ARG A 27 12.447 0.127 -4.060 1.00 0.00 C ATOM 280 NE ARG A 27 13.541 -0.846 -4.079 1.00 0.00 N ATOM 281 CZ ARG A 27 14.820 -0.522 -4.243 1.00 0.00 C ATOM 282 NH1 ARG A 27 15.167 0.739 -4.476 1.00 0.00 N ATOM 283 NH2 ARG A 27 15.747 -1.466 -4.189 1.00 0.00 N ATOM 0 H ARG A 27 11.474 -1.299 0.420 1.00 0.00 H new ATOM 0 HA ARG A 27 13.004 0.379 -1.222 1.00 0.00 H new ATOM 0 HB2 ARG A 27 12.237 -1.715 -2.043 1.00 0.00 H new ATOM 0 HB3 ARG A 27 10.576 -1.388 -1.592 1.00 0.00 H new ATOM 0 HG2 ARG A 27 10.799 -1.244 -3.995 1.00 0.00 H new ATOM 0 HG3 ARG A 27 10.434 0.345 -3.353 1.00 0.00 H new ATOM 0 HD2 ARG A 27 12.209 0.424 -5.081 1.00 0.00 H new ATOM 0 HD3 ARG A 27 12.770 1.025 -3.534 1.00 0.00 H new ATOM 0 HE ARG A 27 13.308 -1.832 -3.959 1.00 0.00 H new ATOM 0 HH11 ARG A 27 14.451 1.463 -4.530 1.00 0.00 H new ATOM 0 HH12 ARG A 27 16.149 0.983 -4.601 1.00 0.00 H new ATOM 0 HH21 ARG A 27 15.478 -2.436 -4.022 1.00 0.00 H new ATOM 0 HH22 ARG A 27 16.730 -1.223 -4.314 1.00 0.00 H new ATOM 297 N LEU A 28 9.869 1.305 -0.822 1.00 0.00 N ATOM 298 CA LEU A 28 8.963 2.431 -0.796 1.00 0.00 C ATOM 299 C LEU A 28 9.458 3.528 0.158 1.00 0.00 C ATOM 300 O LEU A 28 9.289 4.715 -0.113 1.00 0.00 O ATOM 301 CB LEU A 28 7.588 1.908 -0.392 1.00 0.00 C ATOM 302 CG LEU A 28 6.418 2.859 -0.562 1.00 0.00 C ATOM 303 CD1 LEU A 28 6.366 3.843 0.582 1.00 0.00 C ATOM 304 CD2 LEU A 28 6.527 3.564 -1.897 1.00 0.00 C ATOM 0 H LEU A 28 9.438 0.422 -0.549 1.00 0.00 H new ATOM 0 HA LEU A 28 8.909 2.894 -1.781 1.00 0.00 H new ATOM 0 HB2 LEU A 28 7.382 1.009 -0.973 1.00 0.00 H new ATOM 0 HB3 LEU A 28 7.633 1.608 0.655 1.00 0.00 H new ATOM 0 HG LEU A 28 5.486 2.294 -0.548 1.00 0.00 H new ATOM 0 HD11 LEU A 28 5.521 4.517 0.444 1.00 0.00 H new ATOM 0 HD12 LEU A 28 6.249 3.303 1.522 1.00 0.00 H new ATOM 0 HD13 LEU A 28 7.290 4.420 0.608 1.00 0.00 H new ATOM 0 HD21 LEU A 28 5.686 4.247 -2.018 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.460 4.127 -1.936 1.00 0.00 H new ATOM 0 HD23 LEU A 28 6.514 2.827 -2.700 1.00 0.00 H new ATOM 316 N LYS A 29 10.064 3.130 1.271 1.00 0.00 N ATOM 317 CA LYS A 29 10.648 4.086 2.212 1.00 0.00 C ATOM 318 C LYS A 29 11.693 4.943 1.505 1.00 0.00 C ATOM 319 O LYS A 29 11.745 6.159 1.689 1.00 0.00 O ATOM 320 CB LYS A 29 11.252 3.338 3.415 1.00 0.00 C ATOM 321 CG LYS A 29 11.906 4.224 4.472 1.00 0.00 C ATOM 322 CD LYS A 29 13.343 4.576 4.113 1.00 0.00 C ATOM 323 CE LYS A 29 14.002 5.418 5.192 1.00 0.00 C ATOM 324 NZ LYS A 29 14.023 4.721 6.503 1.00 0.00 N ATOM 0 H LYS A 29 10.165 2.153 1.546 1.00 0.00 H new ATOM 0 HA LYS A 29 9.868 4.750 2.586 1.00 0.00 H new ATOM 0 HB2 LYS A 29 10.465 2.753 3.891 1.00 0.00 H new ATOM 0 HB3 LYS A 29 11.995 2.631 3.046 1.00 0.00 H new ATOM 0 HG2 LYS A 29 11.326 5.140 4.586 1.00 0.00 H new ATOM 0 HG3 LYS A 29 11.888 3.713 5.435 1.00 0.00 H new ATOM 0 HD2 LYS A 29 13.916 3.660 3.965 1.00 0.00 H new ATOM 0 HD3 LYS A 29 13.359 5.118 3.168 1.00 0.00 H new ATOM 0 HE2 LYS A 29 15.022 5.658 4.892 1.00 0.00 H new ATOM 0 HE3 LYS A 29 13.468 6.363 5.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 14.690 5.201 7.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 13.071 4.739 6.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 14.323 3.734 6.367 1.00 0.00 H new ATOM 338 N VAL A 30 12.503 4.302 0.679 1.00 0.00 N ATOM 339 CA VAL A 30 13.510 4.999 -0.104 1.00 0.00 C ATOM 340 C VAL A 30 12.855 5.900 -1.134 1.00 0.00 C ATOM 341 O VAL A 30 13.341 6.992 -1.426 1.00 0.00 O ATOM 342 CB VAL A 30 14.445 3.996 -0.791 1.00 0.00 C ATOM 343 CG1 VAL A 30 15.489 4.702 -1.644 1.00 0.00 C ATOM 344 CG2 VAL A 30 15.096 3.123 0.264 1.00 0.00 C ATOM 0 H VAL A 30 12.482 3.293 0.533 1.00 0.00 H new ATOM 0 HA VAL A 30 14.101 5.618 0.571 1.00 0.00 H new ATOM 0 HB VAL A 30 13.861 3.370 -1.465 1.00 0.00 H new ATOM 0 HG11 VAL A 30 16.135 3.961 -2.116 1.00 0.00 H new ATOM 0 HG12 VAL A 30 14.991 5.293 -2.413 1.00 0.00 H new ATOM 0 HG13 VAL A 30 16.090 5.358 -1.015 1.00 0.00 H new ATOM 0 HG21 VAL A 30 15.762 2.407 -0.217 1.00 0.00 H new ATOM 0 HG22 VAL A 30 15.668 3.747 0.950 1.00 0.00 H new ATOM 0 HG23 VAL A 30 14.326 2.586 0.818 1.00 0.00 H new ATOM 354 N TYR A 31 11.734 5.441 -1.649 1.00 0.00 N ATOM 355 CA TYR A 31 10.934 6.216 -2.571 1.00 0.00 C ATOM 356 C TYR A 31 10.432 7.482 -1.881 1.00 0.00 C ATOM 357 O TYR A 31 10.410 8.566 -2.473 1.00 0.00 O ATOM 358 CB TYR A 31 9.761 5.369 -3.064 1.00 0.00 C ATOM 359 CG TYR A 31 8.851 6.097 -4.016 1.00 0.00 C ATOM 360 CD1 TYR A 31 9.200 6.257 -5.346 1.00 0.00 C ATOM 361 CD2 TYR A 31 7.651 6.637 -3.579 1.00 0.00 C ATOM 362 CE1 TYR A 31 8.379 6.936 -6.217 1.00 0.00 C ATOM 363 CE2 TYR A 31 6.822 7.320 -4.442 1.00 0.00 C ATOM 364 CZ TYR A 31 7.188 7.470 -5.763 1.00 0.00 C ATOM 365 OH TYR A 31 6.365 8.157 -6.634 1.00 0.00 O ATOM 0 H TYR A 31 11.352 4.519 -1.439 1.00 0.00 H new ATOM 0 HA TYR A 31 11.541 6.508 -3.428 1.00 0.00 H new ATOM 0 HB2 TYR A 31 10.149 4.477 -3.556 1.00 0.00 H new ATOM 0 HB3 TYR A 31 9.180 5.032 -2.205 1.00 0.00 H new ATOM 0 HD1 TYR A 31 10.130 5.843 -5.705 1.00 0.00 H new ATOM 0 HD2 TYR A 31 7.361 6.520 -2.545 1.00 0.00 H new ATOM 0 HE1 TYR A 31 8.665 7.051 -7.252 1.00 0.00 H new ATOM 0 HE2 TYR A 31 5.891 7.735 -4.086 1.00 0.00 H new ATOM 0 HH TYR A 31 5.568 8.466 -6.155 1.00 0.00 H new ATOM 375 N CYS A 32 10.061 7.338 -0.615 1.00 0.00 N ATOM 376 CA CYS A 32 9.570 8.460 0.175 1.00 0.00 C ATOM 377 C CYS A 32 10.699 9.413 0.534 1.00 0.00 C ATOM 378 O CYS A 32 10.498 10.611 0.637 1.00 0.00 O ATOM 379 CB CYS A 32 8.891 7.962 1.446 1.00 0.00 C ATOM 380 SG CYS A 32 7.496 6.869 1.138 1.00 0.00 S ATOM 0 H CYS A 32 10.091 6.451 -0.112 1.00 0.00 H new ATOM 0 HA CYS A 32 8.842 8.999 -0.431 1.00 0.00 H new ATOM 0 HB2 CYS A 32 9.625 7.437 2.058 1.00 0.00 H new ATOM 0 HB3 CYS A 32 8.549 8.820 2.025 1.00 0.00 H new ATOM 0 HG CYS A 32 7.618 6.331 -0.039 1.00 0.00 H new ATOM 386 N ALA A 33 11.887 8.874 0.708 1.00 0.00 N ATOM 387 CA ALA A 33 13.039 9.681 1.067 1.00 0.00 C ATOM 388 C ALA A 33 13.550 10.448 -0.146 1.00 0.00 C ATOM 389 O ALA A 33 13.960 11.604 -0.045 1.00 0.00 O ATOM 390 CB ALA A 33 14.128 8.792 1.647 1.00 0.00 C ATOM 0 H ALA A 33 12.083 7.878 0.607 1.00 0.00 H new ATOM 0 HA ALA A 33 12.744 10.409 1.823 1.00 0.00 H new ATOM 0 HB1 ALA A 33 14.991 9.402 1.915 1.00 0.00 H new ATOM 0 HB2 ALA A 33 13.750 8.287 2.536 1.00 0.00 H new ATOM 0 HB3 ALA A 33 14.424 8.049 0.906 1.00 0.00 H new ATOM 396 N LYS A 34 13.488 9.796 -1.297 1.00 0.00 N ATOM 397 CA LYS A 34 13.972 10.360 -2.545 1.00 0.00 C ATOM 398 C LYS A 34 13.027 11.433 -3.073 1.00 0.00 C ATOM 399 O LYS A 34 13.466 12.457 -3.593 1.00 0.00 O ATOM 400 CB LYS A 34 14.141 9.235 -3.570 1.00 0.00 C ATOM 401 CG LYS A 34 14.719 9.672 -4.902 1.00 0.00 C ATOM 402 CD LYS A 34 14.885 8.480 -5.830 1.00 0.00 C ATOM 403 CE LYS A 34 15.444 8.881 -7.185 1.00 0.00 C ATOM 404 NZ LYS A 34 15.634 7.696 -8.065 1.00 0.00 N ATOM 0 H LYS A 34 13.099 8.858 -1.391 1.00 0.00 H new ATOM 0 HA LYS A 34 14.935 10.839 -2.366 1.00 0.00 H new ATOM 0 HB2 LYS A 34 14.787 8.468 -3.143 1.00 0.00 H new ATOM 0 HB3 LYS A 34 13.170 8.773 -3.745 1.00 0.00 H new ATOM 0 HG2 LYS A 34 14.064 10.411 -5.364 1.00 0.00 H new ATOM 0 HG3 LYS A 34 15.684 10.155 -4.745 1.00 0.00 H new ATOM 0 HD2 LYS A 34 15.549 7.750 -5.366 1.00 0.00 H new ATOM 0 HD3 LYS A 34 13.920 7.991 -5.967 1.00 0.00 H new ATOM 0 HE2 LYS A 34 14.767 9.588 -7.665 1.00 0.00 H new ATOM 0 HE3 LYS A 34 16.397 9.393 -7.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 16.017 8.003 -8.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 16.299 7.034 -7.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 14.720 7.223 -8.212 1.00 0.00 H new ATOM 418 N ASN A 35 11.732 11.209 -2.929 1.00 0.00 N ATOM 419 CA ASN A 35 10.751 12.184 -3.384 1.00 0.00 C ATOM 420 C ASN A 35 10.345 13.087 -2.241 1.00 0.00 C ATOM 421 O ASN A 35 9.506 13.972 -2.405 1.00 0.00 O ATOM 422 CB ASN A 35 9.507 11.495 -3.946 1.00 0.00 C ATOM 423 CG ASN A 35 9.780 10.745 -5.235 1.00 0.00 C ATOM 424 OD1 ASN A 35 9.657 11.297 -6.330 1.00 0.00 O ATOM 425 ND2 ASN A 35 10.146 9.479 -5.120 1.00 0.00 N ATOM 0 H ASN A 35 11.336 10.370 -2.505 1.00 0.00 H new ATOM 0 HA ASN A 35 11.212 12.775 -4.175 1.00 0.00 H new ATOM 0 HB2 ASN A 35 9.116 10.800 -3.203 1.00 0.00 H new ATOM 0 HB3 ASN A 35 8.733 12.242 -4.123 1.00 0.00 H new ATOM 0 HD21 ASN A 35 10.337 8.925 -5.955 1.00 0.00 H new ATOM 0 HD22 ASN A 35 10.237 9.056 -4.196 1.00 0.00 H new ATOM 432 N ASN A 36 10.942 12.843 -1.075 1.00 0.00 N ATOM 433 CA ASN A 36 10.582 13.563 0.150 1.00 0.00 C ATOM 434 C ASN A 36 9.094 13.396 0.469 1.00 0.00 C ATOM 435 O ASN A 36 8.493 14.215 1.166 1.00 0.00 O ATOM 436 CB ASN A 36 10.955 15.042 0.033 1.00 0.00 C ATOM 437 CG ASN A 36 12.436 15.283 0.242 1.00 0.00 C ATOM 438 OD1 ASN A 36 13.091 14.576 1.012 1.00 0.00 O ATOM 439 ND2 ASN A 36 12.981 16.272 -0.446 1.00 0.00 N ATOM 0 H ASN A 36 11.680 12.150 -0.951 1.00 0.00 H new ATOM 0 HA ASN A 36 11.148 13.133 0.976 1.00 0.00 H new ATOM 0 HB2 ASN A 36 10.665 15.410 -0.951 1.00 0.00 H new ATOM 0 HB3 ASN A 36 10.389 15.616 0.767 1.00 0.00 H new ATOM 0 HD21 ASN A 36 13.976 16.472 -0.350 1.00 0.00 H new ATOM 0 HD22 ASN A 36 12.406 16.835 -1.073 1.00 0.00 H new ATOM 446 N LEU A 37 8.515 12.315 -0.049 1.00 0.00 N ATOM 447 CA LEU A 37 7.121 11.976 0.188 1.00 0.00 C ATOM 448 C LEU A 37 6.916 11.472 1.605 1.00 0.00 C ATOM 449 O LEU A 37 7.872 11.183 2.326 1.00 0.00 O ATOM 450 CB LEU A 37 6.678 10.890 -0.793 1.00 0.00 C ATOM 451 CG LEU A 37 5.641 11.321 -1.830 1.00 0.00 C ATOM 452 CD1 LEU A 37 6.166 12.468 -2.675 1.00 0.00 C ATOM 453 CD2 LEU A 37 5.258 10.138 -2.707 1.00 0.00 C ATOM 0 H LEU A 37 9.005 11.649 -0.647 1.00 0.00 H new ATOM 0 HA LEU A 37 6.526 12.878 0.044 1.00 0.00 H new ATOM 0 HB2 LEU A 37 7.558 10.519 -1.318 1.00 0.00 H new ATOM 0 HB3 LEU A 37 6.271 10.055 -0.223 1.00 0.00 H new ATOM 0 HG LEU A 37 4.751 11.671 -1.307 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.411 12.757 -3.406 1.00 0.00 H new ATOM 0 HD12 LEU A 37 6.394 13.319 -2.033 1.00 0.00 H new ATOM 0 HD13 LEU A 37 7.071 12.153 -3.194 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.519 10.455 -3.443 1.00 0.00 H new ATOM 0 HD22 LEU A 37 6.144 9.764 -3.220 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.837 9.347 -2.087 1.00 0.00 H new ATOM 465 N GLN A 38 5.660 11.372 1.998 1.00 0.00 N ATOM 466 CA GLN A 38 5.315 10.786 3.276 1.00 0.00 C ATOM 467 C GLN A 38 5.094 9.295 3.101 1.00 0.00 C ATOM 468 O GLN A 38 4.414 8.893 2.155 1.00 0.00 O ATOM 469 CB GLN A 38 4.058 11.426 3.853 1.00 0.00 C ATOM 470 CG GLN A 38 4.203 12.910 4.119 1.00 0.00 C ATOM 471 CD GLN A 38 2.929 13.528 4.652 1.00 0.00 C ATOM 472 OE1 GLN A 38 2.720 13.596 5.863 1.00 0.00 O ATOM 473 NE2 GLN A 38 2.068 13.982 3.755 1.00 0.00 N ATOM 0 H GLN A 38 4.862 11.690 1.448 1.00 0.00 H new ATOM 0 HA GLN A 38 6.136 10.963 3.971 1.00 0.00 H new ATOM 0 HB2 GLN A 38 3.230 11.268 3.162 1.00 0.00 H new ATOM 0 HB3 GLN A 38 3.798 10.922 4.784 1.00 0.00 H new ATOM 0 HG2 GLN A 38 5.009 13.071 4.835 1.00 0.00 H new ATOM 0 HG3 GLN A 38 4.490 13.415 3.197 1.00 0.00 H new ATOM 0 HE21 GLN A 38 2.280 13.906 2.760 1.00 0.00 H new ATOM 0 HE22 GLN A 38 1.192 14.408 4.059 1.00 0.00 H new ATOM 482 N LEU A 39 5.682 8.493 3.978 1.00 0.00 N ATOM 483 CA LEU A 39 5.522 7.037 3.928 1.00 0.00 C ATOM 484 C LEU A 39 4.059 6.663 3.722 1.00 0.00 C ATOM 485 O LEU A 39 3.717 5.911 2.807 1.00 0.00 O ATOM 486 CB LEU A 39 6.037 6.393 5.220 1.00 0.00 C ATOM 487 CG LEU A 39 7.067 5.268 5.043 1.00 0.00 C ATOM 488 CD1 LEU A 39 6.654 4.310 3.939 1.00 0.00 C ATOM 489 CD2 LEU A 39 8.448 5.836 4.764 1.00 0.00 C ATOM 0 H LEU A 39 6.278 8.823 4.738 1.00 0.00 H new ATOM 0 HA LEU A 39 6.106 6.665 3.086 1.00 0.00 H new ATOM 0 HB2 LEU A 39 6.481 7.172 5.840 1.00 0.00 H new ATOM 0 HB3 LEU A 39 5.184 5.996 5.770 1.00 0.00 H new ATOM 0 HG LEU A 39 7.106 4.709 5.978 1.00 0.00 H new ATOM 0 HD11 LEU A 39 7.404 3.525 3.839 1.00 0.00 H new ATOM 0 HD12 LEU A 39 5.691 3.863 4.187 1.00 0.00 H new ATOM 0 HD13 LEU A 39 6.570 4.854 2.998 1.00 0.00 H new ATOM 0 HD21 LEU A 39 9.160 5.019 4.643 1.00 0.00 H new ATOM 0 HD22 LEU A 39 8.419 6.431 3.851 1.00 0.00 H new ATOM 0 HD23 LEU A 39 8.758 6.466 5.598 1.00 0.00 H new ATOM 501 N THR A 40 3.202 7.224 4.561 1.00 0.00 N ATOM 502 CA THR A 40 1.780 6.954 4.501 1.00 0.00 C ATOM 503 C THR A 40 1.191 7.342 3.151 1.00 0.00 C ATOM 504 O THR A 40 0.491 6.548 2.526 1.00 0.00 O ATOM 505 CB THR A 40 1.041 7.714 5.611 1.00 0.00 C ATOM 506 OG1 THR A 40 1.726 7.543 6.858 1.00 0.00 O ATOM 507 CG2 THR A 40 -0.392 7.231 5.746 1.00 0.00 C ATOM 0 H THR A 40 3.474 7.875 5.298 1.00 0.00 H new ATOM 0 HA THR A 40 1.650 5.881 4.641 1.00 0.00 H new ATOM 0 HB THR A 40 1.023 8.771 5.344 1.00 0.00 H new ATOM 0 HG1 THR A 40 1.251 8.032 7.562 1.00 0.00 H new ATOM 0 HG21 THR A 40 -0.890 7.787 6.540 1.00 0.00 H new ATOM 0 HG22 THR A 40 -0.920 7.390 4.805 1.00 0.00 H new ATOM 0 HG23 THR A 40 -0.396 6.169 5.990 1.00 0.00 H new ATOM 515 N GLN A 41 1.496 8.556 2.703 1.00 0.00 N ATOM 516 CA GLN A 41 0.993 9.057 1.434 1.00 0.00 C ATOM 517 C GLN A 41 1.366 8.110 0.300 1.00 0.00 C ATOM 518 O GLN A 41 0.577 7.866 -0.608 1.00 0.00 O ATOM 519 CB GLN A 41 1.564 10.446 1.166 1.00 0.00 C ATOM 520 CG GLN A 41 0.927 11.153 -0.018 1.00 0.00 C ATOM 521 CD GLN A 41 1.583 12.484 -0.316 1.00 0.00 C ATOM 522 OE1 GLN A 41 1.191 13.516 0.225 1.00 0.00 O ATOM 523 NE2 GLN A 41 2.583 12.474 -1.184 1.00 0.00 N ATOM 0 H GLN A 41 2.093 9.213 3.206 1.00 0.00 H new ATOM 0 HA GLN A 41 -0.094 9.120 1.487 1.00 0.00 H new ATOM 0 HB2 GLN A 41 1.434 11.060 2.057 1.00 0.00 H new ATOM 0 HB3 GLN A 41 2.637 10.360 0.992 1.00 0.00 H new ATOM 0 HG2 GLN A 41 0.993 10.513 -0.898 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -0.133 11.310 0.183 1.00 0.00 H new ATOM 0 HE21 GLN A 41 2.879 11.596 -1.611 1.00 0.00 H new ATOM 0 HE22 GLN A 41 3.058 13.344 -1.425 1.00 0.00 H new ATOM 532 N ALA A 42 2.570 7.562 0.378 1.00 0.00 N ATOM 533 CA ALA A 42 3.055 6.632 -0.628 1.00 0.00 C ATOM 534 C ALA A 42 2.264 5.337 -0.589 1.00 0.00 C ATOM 535 O ALA A 42 1.877 4.818 -1.630 1.00 0.00 O ATOM 536 CB ALA A 42 4.523 6.354 -0.418 1.00 0.00 C ATOM 0 H ALA A 42 3.231 7.748 1.132 1.00 0.00 H new ATOM 0 HA ALA A 42 2.920 7.087 -1.609 1.00 0.00 H new ATOM 0 HB1 ALA A 42 4.874 5.656 -1.178 1.00 0.00 H new ATOM 0 HB2 ALA A 42 5.084 7.285 -0.494 1.00 0.00 H new ATOM 0 HB3 ALA A 42 4.673 5.920 0.570 1.00 0.00 H new ATOM 542 N ILE A 43 2.024 4.816 0.613 1.00 0.00 N ATOM 543 CA ILE A 43 1.185 3.633 0.775 1.00 0.00 C ATOM 544 C ILE A 43 -0.201 3.886 0.202 1.00 0.00 C ATOM 545 O ILE A 43 -0.742 3.062 -0.524 1.00 0.00 O ATOM 546 CB ILE A 43 1.053 3.210 2.259 1.00 0.00 C ATOM 547 CG1 ILE A 43 2.124 2.184 2.627 1.00 0.00 C ATOM 548 CG2 ILE A 43 -0.336 2.664 2.546 1.00 0.00 C ATOM 549 CD1 ILE A 43 3.526 2.738 2.599 1.00 0.00 C ATOM 0 H ILE A 43 2.397 5.193 1.484 1.00 0.00 H new ATOM 0 HA ILE A 43 1.671 2.822 0.233 1.00 0.00 H new ATOM 0 HB ILE A 43 1.202 4.095 2.877 1.00 0.00 H new ATOM 0 HG12 ILE A 43 1.916 1.796 3.624 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.061 1.342 1.937 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -0.403 2.374 3.595 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -1.080 3.432 2.333 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.522 1.794 1.916 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.233 1.954 2.871 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.754 3.101 1.597 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.606 3.561 3.309 1.00 0.00 H new ATOM 561 N GLU A 44 -0.761 5.035 0.537 1.00 0.00 N ATOM 562 CA GLU A 44 -2.097 5.402 0.090 1.00 0.00 C ATOM 563 C GLU A 44 -2.162 5.499 -1.428 1.00 0.00 C ATOM 564 O GLU A 44 -3.127 5.050 -2.040 1.00 0.00 O ATOM 565 CB GLU A 44 -2.524 6.725 0.718 1.00 0.00 C ATOM 566 CG GLU A 44 -2.613 6.683 2.232 1.00 0.00 C ATOM 567 CD GLU A 44 -3.050 8.005 2.826 1.00 0.00 C ATOM 568 OE1 GLU A 44 -2.187 8.880 3.045 1.00 0.00 O ATOM 569 OE2 GLU A 44 -4.259 8.174 3.074 1.00 0.00 O ATOM 0 H GLU A 44 -0.308 5.737 1.122 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.784 4.619 0.411 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -1.816 7.500 0.426 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -3.495 7.012 0.314 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -3.316 5.905 2.530 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -1.641 6.408 2.642 1.00 0.00 H new ATOM 576 N GLU A 45 -1.141 6.085 -2.032 1.00 0.00 N ATOM 577 CA GLU A 45 -1.059 6.146 -3.484 1.00 0.00 C ATOM 578 C GLU A 45 -0.815 4.750 -4.040 1.00 0.00 C ATOM 579 O GLU A 45 -1.311 4.402 -5.112 1.00 0.00 O ATOM 580 CB GLU A 45 0.060 7.095 -3.932 1.00 0.00 C ATOM 581 CG GLU A 45 -0.115 8.532 -3.461 1.00 0.00 C ATOM 582 CD GLU A 45 -1.408 9.155 -3.934 1.00 0.00 C ATOM 583 OE1 GLU A 45 -2.436 9.002 -3.247 1.00 0.00 O ATOM 584 OE2 GLU A 45 -1.400 9.815 -4.994 1.00 0.00 O ATOM 0 H GLU A 45 -0.361 6.524 -1.543 1.00 0.00 H new ATOM 0 HA GLU A 45 -2.003 6.531 -3.869 1.00 0.00 H new ATOM 0 HB2 GLU A 45 1.012 6.716 -3.561 1.00 0.00 H new ATOM 0 HB3 GLU A 45 0.115 7.085 -5.021 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -0.083 8.558 -2.372 1.00 0.00 H new ATOM 0 HG3 GLU A 45 0.723 9.131 -3.819 1.00 0.00 H new ATOM 591 N ALA A 46 -0.062 3.952 -3.287 1.00 0.00 N ATOM 592 CA ALA A 46 0.240 2.584 -3.668 1.00 0.00 C ATOM 593 C ALA A 46 -1.025 1.754 -3.713 1.00 0.00 C ATOM 594 O ALA A 46 -1.351 1.147 -4.728 1.00 0.00 O ATOM 595 CB ALA A 46 1.234 1.964 -2.692 1.00 0.00 C ATOM 0 H ALA A 46 0.352 4.238 -2.400 1.00 0.00 H new ATOM 0 HA ALA A 46 0.686 2.598 -4.662 1.00 0.00 H new ATOM 0 HB1 ALA A 46 1.449 0.939 -2.993 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.157 2.544 -2.695 1.00 0.00 H new ATOM 0 HB3 ALA A 46 0.808 1.966 -1.689 1.00 0.00 H new ATOM 601 N ILE A 47 -1.744 1.759 -2.603 1.00 0.00 N ATOM 602 CA ILE A 47 -2.939 0.978 -2.459 1.00 0.00 C ATOM 603 C ILE A 47 -4.060 1.518 -3.350 1.00 0.00 C ATOM 604 O ILE A 47 -4.956 0.782 -3.759 1.00 0.00 O ATOM 605 CB ILE A 47 -3.367 0.945 -0.977 1.00 0.00 C ATOM 606 CG1 ILE A 47 -4.509 -0.035 -0.767 1.00 0.00 C ATOM 607 CG2 ILE A 47 -3.747 2.331 -0.477 1.00 0.00 C ATOM 608 CD1 ILE A 47 -4.805 -0.301 0.691 1.00 0.00 C ATOM 0 H ILE A 47 -1.506 2.311 -1.779 1.00 0.00 H new ATOM 0 HA ILE A 47 -2.733 -0.042 -2.783 1.00 0.00 H new ATOM 0 HB ILE A 47 -2.511 0.605 -0.393 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -5.406 0.354 -1.248 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -4.266 -0.977 -1.259 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -4.043 2.271 0.570 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -2.892 3.000 -0.575 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -4.578 2.716 -1.068 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -5.630 -1.009 0.772 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -3.920 -0.719 1.171 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -5.078 0.632 1.183 1.00 0.00 H new ATOM 620 N LYS A 48 -3.981 2.801 -3.680 1.00 0.00 N ATOM 621 CA LYS A 48 -4.965 3.422 -4.551 1.00 0.00 C ATOM 622 C LYS A 48 -4.746 2.973 -5.992 1.00 0.00 C ATOM 623 O LYS A 48 -5.644 2.409 -6.618 1.00 0.00 O ATOM 624 CB LYS A 48 -4.870 4.944 -4.449 1.00 0.00 C ATOM 625 CG LYS A 48 -5.802 5.716 -5.386 1.00 0.00 C ATOM 626 CD LYS A 48 -7.245 5.800 -4.880 1.00 0.00 C ATOM 627 CE LYS A 48 -7.970 4.462 -4.938 1.00 0.00 C ATOM 628 NZ LYS A 48 -9.441 4.608 -4.764 1.00 0.00 N ATOM 0 H LYS A 48 -3.246 3.430 -3.357 1.00 0.00 H new ATOM 0 HA LYS A 48 -5.962 3.112 -4.236 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.087 5.238 -3.422 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -3.843 5.243 -4.656 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -5.414 6.725 -5.521 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -5.796 5.238 -6.366 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -7.244 6.163 -3.852 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.792 6.531 -5.476 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -7.766 3.982 -5.895 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -7.578 3.805 -4.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -9.891 3.671 -4.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -9.640 5.042 -3.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -9.822 5.213 -5.520 1.00 0.00 H new ATOM 642 N GLU A 49 -3.541 3.216 -6.512 1.00 0.00 N ATOM 643 CA GLU A 49 -3.178 2.772 -7.843 1.00 0.00 C ATOM 644 C GLU A 49 -3.213 1.264 -7.970 1.00 0.00 C ATOM 645 O GLU A 49 -3.238 0.730 -9.078 1.00 0.00 O ATOM 646 CB GLU A 49 -1.814 3.299 -8.211 1.00 0.00 C ATOM 647 CG GLU A 49 -1.885 4.751 -8.621 1.00 0.00 C ATOM 648 CD GLU A 49 -3.114 5.059 -9.450 1.00 0.00 C ATOM 649 OE1 GLU A 49 -3.191 4.574 -10.597 1.00 0.00 O ATOM 650 OE2 GLU A 49 -4.000 5.790 -8.964 1.00 0.00 O ATOM 0 H GLU A 49 -2.803 3.721 -6.022 1.00 0.00 H new ATOM 0 HA GLU A 49 -3.919 3.171 -8.536 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -1.138 3.190 -7.363 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -1.400 2.707 -9.027 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -1.886 5.378 -7.729 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -0.992 5.009 -9.191 1.00 0.00 H new ATOM 657 N TYR A 50 -3.221 0.589 -6.837 1.00 0.00 N ATOM 658 CA TYR A 50 -3.315 -0.847 -6.802 1.00 0.00 C ATOM 659 C TYR A 50 -4.709 -1.290 -7.192 1.00 0.00 C ATOM 660 O TYR A 50 -4.879 -2.118 -8.083 1.00 0.00 O ATOM 661 CB TYR A 50 -2.979 -1.344 -5.410 1.00 0.00 C ATOM 662 CG TYR A 50 -3.138 -2.825 -5.236 1.00 0.00 C ATOM 663 CD1 TYR A 50 -2.346 -3.695 -5.952 1.00 0.00 C ATOM 664 CD2 TYR A 50 -4.055 -3.343 -4.340 1.00 0.00 C ATOM 665 CE1 TYR A 50 -2.460 -5.058 -5.791 1.00 0.00 C ATOM 666 CE2 TYR A 50 -4.178 -4.709 -4.162 1.00 0.00 C ATOM 667 CZ TYR A 50 -3.378 -5.563 -4.892 1.00 0.00 C ATOM 668 OH TYR A 50 -3.490 -6.921 -4.720 1.00 0.00 O ATOM 0 H TYR A 50 -3.162 1.026 -5.917 1.00 0.00 H new ATOM 0 HA TYR A 50 -2.606 -1.269 -7.514 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -1.950 -1.069 -5.176 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -3.617 -0.833 -4.689 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -1.623 -3.302 -6.652 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -4.683 -2.673 -3.772 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -1.835 -5.727 -6.364 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -4.895 -5.104 -3.457 1.00 0.00 H new ATOM 0 HH TYR A 50 -4.437 -7.168 -4.672 1.00 0.00 H new ATOM 678 N LEU A 51 -5.704 -0.726 -6.520 1.00 0.00 N ATOM 679 CA LEU A 51 -7.094 -1.022 -6.831 1.00 0.00 C ATOM 680 C LEU A 51 -7.420 -0.692 -8.281 1.00 0.00 C ATOM 681 O LEU A 51 -8.215 -1.378 -8.911 1.00 0.00 O ATOM 682 CB LEU A 51 -8.044 -0.270 -5.898 1.00 0.00 C ATOM 683 CG LEU A 51 -8.475 -1.021 -4.627 1.00 0.00 C ATOM 684 CD1 LEU A 51 -8.231 -2.518 -4.756 1.00 0.00 C ATOM 685 CD2 LEU A 51 -7.776 -0.456 -3.400 1.00 0.00 C ATOM 0 H LEU A 51 -5.573 -0.062 -5.757 1.00 0.00 H new ATOM 0 HA LEU A 51 -7.235 -2.092 -6.680 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -7.566 0.663 -5.600 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -8.939 -0.004 -6.460 1.00 0.00 H new ATOM 0 HG LEU A 51 -9.548 -0.874 -4.502 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -8.547 -3.018 -3.840 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -8.802 -2.908 -5.598 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -7.169 -2.701 -4.922 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -8.097 -1.003 -2.514 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -6.697 -0.557 -3.517 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -8.032 0.598 -3.288 1.00 0.00 H new ATOM 697 N GLN A 52 -6.791 0.343 -8.814 1.00 0.00 N ATOM 698 CA GLN A 52 -7.011 0.721 -10.205 1.00 0.00 C ATOM 699 C GLN A 52 -6.256 -0.208 -11.148 1.00 0.00 C ATOM 700 O GLN A 52 -6.752 -0.553 -12.221 1.00 0.00 O ATOM 701 CB GLN A 52 -6.602 2.173 -10.466 1.00 0.00 C ATOM 702 CG GLN A 52 -7.704 3.189 -10.186 1.00 0.00 C ATOM 703 CD GLN A 52 -7.913 3.471 -8.713 1.00 0.00 C ATOM 704 OE1 GLN A 52 -8.688 2.793 -8.038 1.00 0.00 O ATOM 705 NE2 GLN A 52 -7.235 4.490 -8.211 1.00 0.00 N ATOM 0 H GLN A 52 -6.129 0.934 -8.311 1.00 0.00 H new ATOM 0 HA GLN A 52 -8.080 0.628 -10.398 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -5.736 2.412 -9.848 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -6.289 2.270 -11.505 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -7.463 4.122 -10.695 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -8.638 2.825 -10.613 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -6.603 5.025 -8.807 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -7.344 4.741 -7.228 1.00 0.00 H new ATOM 844 N ALA B 14 8.434 -6.591 8.804 1.00 0.00 N ATOM 845 CA ALA B 14 8.477 -5.342 9.538 1.00 0.00 C ATOM 846 C ALA B 14 7.060 -4.912 9.873 1.00 0.00 C ATOM 847 O ALA B 14 6.102 -5.467 9.343 1.00 0.00 O ATOM 848 CB ALA B 14 9.168 -4.270 8.716 1.00 0.00 C ATOM 0 HA ALA B 14 9.042 -5.484 10.459 1.00 0.00 H new ATOM 0 HB1 ALA B 14 9.193 -3.338 9.281 1.00 0.00 H new ATOM 0 HB2 ALA B 14 10.187 -4.585 8.491 1.00 0.00 H new ATOM 0 HB3 ALA B 14 8.622 -4.116 7.785 1.00 0.00 H new ATOM 854 N VAL B 15 6.923 -3.933 10.745 1.00 0.00 N ATOM 855 CA VAL B 15 5.606 -3.441 11.113 1.00 0.00 C ATOM 856 C VAL B 15 5.379 -2.087 10.471 1.00 0.00 C ATOM 857 O VAL B 15 6.329 -1.431 10.038 1.00 0.00 O ATOM 858 CB VAL B 15 5.438 -3.298 12.639 1.00 0.00 C ATOM 859 CG1 VAL B 15 3.968 -3.290 13.034 1.00 0.00 C ATOM 860 CG2 VAL B 15 6.191 -4.390 13.374 1.00 0.00 C ATOM 0 H VAL B 15 7.700 -3.464 11.210 1.00 0.00 H new ATOM 0 HA VAL B 15 4.877 -4.170 10.761 1.00 0.00 H new ATOM 0 HB VAL B 15 5.866 -2.339 12.931 1.00 0.00 H new ATOM 0 HG11 VAL B 15 3.882 -3.188 14.116 1.00 0.00 H new ATOM 0 HG12 VAL B 15 3.466 -2.453 12.550 1.00 0.00 H new ATOM 0 HG13 VAL B 15 3.502 -4.224 12.720 1.00 0.00 H new ATOM 0 HG21 VAL B 15 6.056 -4.265 14.448 1.00 0.00 H new ATOM 0 HG22 VAL B 15 5.807 -5.364 13.070 1.00 0.00 H new ATOM 0 HG23 VAL B 15 7.252 -4.326 13.132 1.00 0.00 H new ATOM 870 N PHE B 16 4.133 -1.673 10.412 1.00 0.00 N ATOM 871 CA PHE B 16 3.790 -0.397 9.823 1.00 0.00 C ATOM 872 C PHE B 16 2.516 0.138 10.456 1.00 0.00 C ATOM 873 O PHE B 16 1.490 -0.544 10.467 1.00 0.00 O ATOM 874 CB PHE B 16 3.612 -0.557 8.316 1.00 0.00 C ATOM 875 CG PHE B 16 3.844 0.705 7.542 1.00 0.00 C ATOM 876 CD1 PHE B 16 4.989 1.455 7.752 1.00 0.00 C ATOM 877 CD2 PHE B 16 2.932 1.131 6.593 1.00 0.00 C ATOM 878 CE1 PHE B 16 5.220 2.608 7.030 1.00 0.00 C ATOM 879 CE2 PHE B 16 3.158 2.283 5.870 1.00 0.00 C ATOM 880 CZ PHE B 16 4.304 3.022 6.087 1.00 0.00 C ATOM 0 H PHE B 16 3.337 -2.204 10.766 1.00 0.00 H new ATOM 0 HA PHE B 16 4.595 0.315 10.007 1.00 0.00 H new ATOM 0 HB2 PHE B 16 4.299 -1.323 7.958 1.00 0.00 H new ATOM 0 HB3 PHE B 16 2.602 -0.915 8.115 1.00 0.00 H new ATOM 0 HD1 PHE B 16 5.710 1.134 8.489 1.00 0.00 H new ATOM 0 HD2 PHE B 16 2.035 0.556 6.417 1.00 0.00 H new ATOM 0 HE1 PHE B 16 6.117 3.185 7.203 1.00 0.00 H new ATOM 0 HE2 PHE B 16 2.438 2.608 5.133 1.00 0.00 H new ATOM 0 HZ PHE B 16 4.482 3.923 5.519 1.00 0.00 H new ATOM 890 N GLY B 17 2.599 1.339 11.002 1.00 0.00 N ATOM 891 CA GLY B 17 1.457 1.954 11.646 1.00 0.00 C ATOM 892 C GLY B 17 1.233 3.365 11.148 1.00 0.00 C ATOM 893 O GLY B 17 1.912 4.297 11.579 1.00 0.00 O ATOM 0 H GLY B 17 3.447 1.906 11.011 1.00 0.00 H new ATOM 0 HA2 GLY B 17 0.566 1.355 11.458 1.00 0.00 H new ATOM 0 HA3 GLY B 17 1.610 1.968 12.725 1.00 0.00 H new ATOM 897 N ILE B 18 0.293 3.526 10.229 1.00 0.00 N ATOM 898 CA ILE B 18 0.064 4.816 9.600 1.00 0.00 C ATOM 899 C ILE B 18 -1.395 5.232 9.682 1.00 0.00 C ATOM 900 O ILE B 18 -2.254 4.451 10.093 1.00 0.00 O ATOM 901 CB ILE B 18 0.488 4.792 8.122 1.00 0.00 C ATOM 902 CG1 ILE B 18 -0.283 3.709 7.354 1.00 0.00 C ATOM 903 CG2 ILE B 18 1.985 4.558 8.027 1.00 0.00 C ATOM 904 CD1 ILE B 18 -0.075 3.767 5.860 1.00 0.00 C ATOM 0 H ILE B 18 -0.322 2.780 9.903 1.00 0.00 H new ATOM 0 HA ILE B 18 0.670 5.540 10.145 1.00 0.00 H new ATOM 0 HB ILE B 18 0.251 5.754 7.668 1.00 0.00 H new ATOM 0 HG12 ILE B 18 0.024 2.728 7.718 1.00 0.00 H new ATOM 0 HG13 ILE B 18 -1.347 3.810 7.569 1.00 0.00 H new ATOM 0 HG21 ILE B 18 2.285 4.541 6.979 1.00 0.00 H new ATOM 0 HG22 ILE B 18 2.512 5.361 8.542 1.00 0.00 H new ATOM 0 HG23 ILE B 18 2.234 3.604 8.491 1.00 0.00 H new ATOM 0 HD11 ILE B 18 -0.649 2.973 5.382 1.00 0.00 H new ATOM 0 HD12 ILE B 18 -0.409 4.734 5.483 1.00 0.00 H new ATOM 0 HD13 ILE B 18 0.983 3.636 5.635 1.00 0.00 H new ATOM 916 N TYR B 19 -1.662 6.468 9.284 1.00 0.00 N ATOM 917 CA TYR B 19 -3.019 6.979 9.235 1.00 0.00 C ATOM 918 C TYR B 19 -3.405 7.295 7.795 1.00 0.00 C ATOM 919 O TYR B 19 -3.078 8.362 7.270 1.00 0.00 O ATOM 920 CB TYR B 19 -3.160 8.231 10.104 1.00 0.00 C ATOM 921 CG TYR B 19 -2.826 8.001 11.559 1.00 0.00 C ATOM 922 CD1 TYR B 19 -3.658 7.245 12.371 1.00 0.00 C ATOM 923 CD2 TYR B 19 -1.672 8.537 12.119 1.00 0.00 C ATOM 924 CE1 TYR B 19 -3.354 7.032 13.699 1.00 0.00 C ATOM 925 CE2 TYR B 19 -1.361 8.326 13.450 1.00 0.00 C ATOM 926 CZ TYR B 19 -2.208 7.574 14.235 1.00 0.00 C ATOM 927 OH TYR B 19 -1.904 7.351 15.561 1.00 0.00 O ATOM 0 H TYR B 19 -0.950 7.137 8.989 1.00 0.00 H new ATOM 0 HA TYR B 19 -3.690 6.214 9.625 1.00 0.00 H new ATOM 0 HB2 TYR B 19 -2.509 9.011 9.710 1.00 0.00 H new ATOM 0 HB3 TYR B 19 -4.182 8.601 10.029 1.00 0.00 H new ATOM 0 HD1 TYR B 19 -4.558 6.816 11.957 1.00 0.00 H new ATOM 0 HD2 TYR B 19 -1.008 9.127 11.505 1.00 0.00 H new ATOM 0 HE1 TYR B 19 -4.014 6.441 14.317 1.00 0.00 H new ATOM 0 HE2 TYR B 19 -0.460 8.748 13.871 1.00 0.00 H new ATOM 0 HH TYR B 19 -1.062 7.801 15.784 1.00 0.00 H new ATOM 937 N MET B 20 -4.089 6.353 7.169 1.00 0.00 N ATOM 938 CA MET B 20 -4.490 6.473 5.765 1.00 0.00 C ATOM 939 C MET B 20 -5.994 6.723 5.658 1.00 0.00 C ATOM 940 O MET B 20 -6.725 6.498 6.622 1.00 0.00 O ATOM 941 CB MET B 20 -4.098 5.198 4.997 1.00 0.00 C ATOM 942 CG MET B 20 -4.764 3.929 5.514 1.00 0.00 C ATOM 943 SD MET B 20 -3.977 2.421 4.897 1.00 0.00 S ATOM 944 CE MET B 20 -4.318 2.520 3.143 1.00 0.00 C ATOM 0 H MET B 20 -4.385 5.483 7.612 1.00 0.00 H new ATOM 0 HA MET B 20 -3.971 7.323 5.322 1.00 0.00 H new ATOM 0 HB2 MET B 20 -4.354 5.327 3.946 1.00 0.00 H new ATOM 0 HB3 MET B 20 -3.016 5.074 5.048 1.00 0.00 H new ATOM 0 HG2 MET B 20 -4.736 3.928 6.604 1.00 0.00 H new ATOM 0 HG3 MET B 20 -5.814 3.931 5.222 1.00 0.00 H new ATOM 0 HE1 MET B 20 -3.786 1.723 2.623 1.00 0.00 H new ATOM 0 HE2 MET B 20 -5.389 2.412 2.974 1.00 0.00 H new ATOM 0 HE3 MET B 20 -3.986 3.486 2.762 1.00 0.00 H new ATOM 954 N ASP B 21 -6.456 7.195 4.497 1.00 0.00 N ATOM 955 CA ASP B 21 -7.881 7.452 4.285 1.00 0.00 C ATOM 956 C ASP B 21 -8.704 6.190 4.489 1.00 0.00 C ATOM 957 O ASP B 21 -8.206 5.070 4.335 1.00 0.00 O ATOM 958 CB ASP B 21 -8.169 7.993 2.881 1.00 0.00 C ATOM 959 CG ASP B 21 -8.124 9.508 2.784 1.00 0.00 C ATOM 960 OD1 ASP B 21 -9.186 10.143 2.974 1.00 0.00 O ATOM 961 OD2 ASP B 21 -7.053 10.070 2.482 1.00 0.00 O ATOM 0 H ASP B 21 -5.865 7.406 3.693 1.00 0.00 H new ATOM 0 HA ASP B 21 -8.163 8.205 5.021 1.00 0.00 H new ATOM 0 HB2 ASP B 21 -7.444 7.572 2.184 1.00 0.00 H new ATOM 0 HB3 ASP B 21 -9.153 7.647 2.564 1.00 0.00 H new ATOM 966 N LYS B 22 -9.974 6.373 4.799 1.00 0.00 N ATOM 967 CA LYS B 22 -10.847 5.257 5.077 1.00 0.00 C ATOM 968 C LYS B 22 -11.305 4.602 3.794 1.00 0.00 C ATOM 969 O LYS B 22 -10.969 3.454 3.547 1.00 0.00 O ATOM 970 CB LYS B 22 -12.060 5.707 5.887 1.00 0.00 C ATOM 971 CG LYS B 22 -13.072 4.598 6.120 1.00 0.00 C ATOM 972 CD LYS B 22 -14.231 5.071 6.979 1.00 0.00 C ATOM 973 CE LYS B 22 -15.253 3.967 7.188 1.00 0.00 C ATOM 974 NZ LYS B 22 -16.377 4.410 8.053 1.00 0.00 N ATOM 0 H LYS B 22 -10.421 7.288 4.864 1.00 0.00 H new ATOM 0 HA LYS B 22 -10.282 4.531 5.662 1.00 0.00 H new ATOM 0 HB2 LYS B 22 -11.723 6.090 6.850 1.00 0.00 H new ATOM 0 HB3 LYS B 22 -12.548 6.532 5.369 1.00 0.00 H new ATOM 0 HG2 LYS B 22 -13.450 4.242 5.162 1.00 0.00 H new ATOM 0 HG3 LYS B 22 -12.582 3.753 6.603 1.00 0.00 H new ATOM 0 HD2 LYS B 22 -13.856 5.409 7.945 1.00 0.00 H new ATOM 0 HD3 LYS B 22 -14.711 5.928 6.506 1.00 0.00 H new ATOM 0 HE2 LYS B 22 -15.643 3.645 6.222 1.00 0.00 H new ATOM 0 HE3 LYS B 22 -14.766 3.102 7.639 1.00 0.00 H new ATOM 0 HZ1 LYS B 22 -17.053 3.628 8.171 1.00 0.00 H new ATOM 0 HZ2 LYS B 22 -16.008 4.693 8.983 1.00 0.00 H new ATOM 0 HZ3 LYS B 22 -16.858 5.219 7.610 1.00 0.00 H new ATOM 988 N ASP B 23 -12.045 5.351 2.978 1.00 0.00 N ATOM 989 CA ASP B 23 -12.644 4.814 1.752 1.00 0.00 C ATOM 990 C ASP B 23 -11.638 4.023 0.936 1.00 0.00 C ATOM 991 O ASP B 23 -11.954 2.977 0.388 1.00 0.00 O ATOM 992 CB ASP B 23 -13.213 5.932 0.879 1.00 0.00 C ATOM 993 CG ASP B 23 -13.825 5.399 -0.408 1.00 0.00 C ATOM 994 OD1 ASP B 23 -14.969 4.897 -0.358 1.00 0.00 O ATOM 995 OD2 ASP B 23 -13.170 5.491 -1.472 1.00 0.00 O ATOM 0 H ASP B 23 -12.246 6.337 3.143 1.00 0.00 H new ATOM 0 HA ASP B 23 -13.449 4.150 2.066 1.00 0.00 H new ATOM 0 HB2 ASP B 23 -13.970 6.480 1.440 1.00 0.00 H new ATOM 0 HB3 ASP B 23 -12.421 6.641 0.637 1.00 0.00 H new ATOM 1000 N LEU B 24 -10.421 4.527 0.879 1.00 0.00 N ATOM 1001 CA LEU B 24 -9.357 3.880 0.148 1.00 0.00 C ATOM 1002 C LEU B 24 -8.941 2.564 0.802 1.00 0.00 C ATOM 1003 O LEU B 24 -8.987 1.506 0.169 1.00 0.00 O ATOM 1004 CB LEU B 24 -8.175 4.826 0.079 1.00 0.00 C ATOM 1005 CG LEU B 24 -6.835 4.158 -0.136 1.00 0.00 C ATOM 1006 CD1 LEU B 24 -6.346 4.379 -1.551 1.00 0.00 C ATOM 1007 CD2 LEU B 24 -5.856 4.679 0.894 1.00 0.00 C ATOM 0 H LEU B 24 -10.145 5.395 1.338 1.00 0.00 H new ATOM 0 HA LEU B 24 -9.713 3.642 -0.855 1.00 0.00 H new ATOM 0 HB2 LEU B 24 -8.344 5.537 -0.730 1.00 0.00 H new ATOM 0 HB3 LEU B 24 -8.134 5.400 1.004 1.00 0.00 H new ATOM 0 HG LEU B 24 -6.932 3.080 -0.006 1.00 0.00 H new ATOM 0 HD11 LEU B 24 -5.381 3.890 -1.683 1.00 0.00 H new ATOM 0 HD12 LEU B 24 -7.065 3.959 -2.254 1.00 0.00 H new ATOM 0 HD13 LEU B 24 -6.239 5.448 -1.736 1.00 0.00 H new ATOM 0 HD21 LEU B 24 -4.886 4.203 0.748 1.00 0.00 H new ATOM 0 HD22 LEU B 24 -5.751 5.758 0.783 1.00 0.00 H new ATOM 0 HD23 LEU B 24 -6.225 4.451 1.894 1.00 0.00 H new ATOM 1019 N LYS B 25 -8.526 2.632 2.064 1.00 0.00 N ATOM 1020 CA LYS B 25 -8.129 1.440 2.799 1.00 0.00 C ATOM 1021 C LYS B 25 -9.292 0.455 2.871 1.00 0.00 C ATOM 1022 O LYS B 25 -9.107 -0.761 2.852 1.00 0.00 O ATOM 1023 CB LYS B 25 -7.713 1.825 4.214 1.00 0.00 C ATOM 1024 CG LYS B 25 -7.034 0.703 4.969 1.00 0.00 C ATOM 1025 CD LYS B 25 -6.885 1.037 6.441 1.00 0.00 C ATOM 1026 CE LYS B 25 -8.130 0.664 7.240 1.00 0.00 C ATOM 1027 NZ LYS B 25 -9.329 1.452 6.834 1.00 0.00 N ATOM 0 H LYS B 25 -8.457 3.499 2.596 1.00 0.00 H new ATOM 0 HA LYS B 25 -7.291 0.972 2.282 1.00 0.00 H new ATOM 0 HB2 LYS B 25 -7.039 2.680 4.166 1.00 0.00 H new ATOM 0 HB3 LYS B 25 -8.595 2.145 4.769 1.00 0.00 H new ATOM 0 HG2 LYS B 25 -7.613 -0.214 4.859 1.00 0.00 H new ATOM 0 HG3 LYS B 25 -6.052 0.513 4.536 1.00 0.00 H new ATOM 0 HD2 LYS B 25 -6.022 0.509 6.847 1.00 0.00 H new ATOM 0 HD3 LYS B 25 -6.688 2.103 6.553 1.00 0.00 H new ATOM 0 HE2 LYS B 25 -8.336 -0.398 7.109 1.00 0.00 H new ATOM 0 HE3 LYS B 25 -7.937 0.823 8.301 1.00 0.00 H new ATOM 0 HZ1 LYS B 25 -10.009 1.479 7.620 1.00 0.00 H new ATOM 0 HZ2 LYS B 25 -9.041 2.422 6.591 1.00 0.00 H new ATOM 0 HZ3 LYS B 25 -9.774 1.006 6.007 1.00 0.00 H new ATOM 1041 N THR B 26 -10.489 1.009 2.947 1.00 0.00 N ATOM 1042 CA THR B 26 -11.711 0.231 3.073 1.00 0.00 C ATOM 1043 C THR B 26 -12.084 -0.406 1.741 1.00 0.00 C ATOM 1044 O THR B 26 -12.594 -1.524 1.695 1.00 0.00 O ATOM 1045 CB THR B 26 -12.862 1.110 3.614 1.00 0.00 C ATOM 1046 OG1 THR B 26 -12.608 1.426 4.992 1.00 0.00 O ATOM 1047 CG2 THR B 26 -14.214 0.416 3.491 1.00 0.00 C ATOM 0 H THR B 26 -10.643 2.017 2.923 1.00 0.00 H new ATOM 0 HA THR B 26 -11.536 -0.572 3.789 1.00 0.00 H new ATOM 0 HB THR B 26 -12.901 2.020 3.015 1.00 0.00 H new ATOM 0 HG1 THR B 26 -11.992 2.186 5.045 1.00 0.00 H new ATOM 0 HG21 THR B 26 -14.995 1.068 3.883 1.00 0.00 H new ATOM 0 HG22 THR B 26 -14.416 0.197 2.443 1.00 0.00 H new ATOM 0 HG23 THR B 26 -14.199 -0.514 4.060 1.00 0.00 H new ATOM 1055 N ARG B 27 -11.794 0.302 0.666 1.00 0.00 N ATOM 1056 CA ARG B 27 -11.958 -0.232 -0.677 1.00 0.00 C ATOM 1057 C ARG B 27 -11.137 -1.506 -0.824 1.00 0.00 C ATOM 1058 O ARG B 27 -11.646 -2.560 -1.205 1.00 0.00 O ATOM 1059 CB ARG B 27 -11.506 0.818 -1.701 1.00 0.00 C ATOM 1060 CG ARG B 27 -11.262 0.276 -3.096 1.00 0.00 C ATOM 1061 CD ARG B 27 -12.528 -0.298 -3.712 1.00 0.00 C ATOM 1062 NE ARG B 27 -13.618 0.677 -3.728 1.00 0.00 N ATOM 1063 CZ ARG B 27 -14.902 0.355 -3.859 1.00 0.00 C ATOM 1064 NH1 ARG B 27 -15.255 -0.910 -4.042 1.00 0.00 N ATOM 1065 NH2 ARG B 27 -15.830 1.302 -3.808 1.00 0.00 N ATOM 0 H ARG B 27 -11.440 1.258 0.696 1.00 0.00 H new ATOM 0 HA ARG B 27 -13.007 -0.470 -0.854 1.00 0.00 H new ATOM 0 HB2 ARG B 27 -12.262 1.601 -1.757 1.00 0.00 H new ATOM 0 HB3 ARG B 27 -10.589 1.286 -1.342 1.00 0.00 H new ATOM 0 HG2 ARG B 27 -10.878 1.073 -3.733 1.00 0.00 H new ATOM 0 HG3 ARG B 27 -10.495 -0.498 -3.056 1.00 0.00 H new ATOM 0 HD2 ARG B 27 -12.320 -0.626 -4.730 1.00 0.00 H new ATOM 0 HD3 ARG B 27 -12.838 -1.179 -3.150 1.00 0.00 H new ATOM 0 HE ARG B 27 -13.379 1.664 -3.633 1.00 0.00 H new ATOM 0 HH11 ARG B 27 -14.542 -1.638 -4.082 1.00 0.00 H new ATOM 0 HH12 ARG B 27 -16.240 -1.155 -4.142 1.00 0.00 H new ATOM 0 HH21 ARG B 27 -15.558 2.275 -3.669 1.00 0.00 H new ATOM 0 HH22 ARG B 27 -16.815 1.057 -3.908 1.00 0.00 H new ATOM 1079 N LEU B 28 -9.858 -1.384 -0.520 1.00 0.00 N ATOM 1080 CA LEU B 28 -8.952 -2.507 -0.487 1.00 0.00 C ATOM 1081 C LEU B 28 -9.422 -3.575 0.510 1.00 0.00 C ATOM 1082 O LEU B 28 -9.263 -4.770 0.266 1.00 0.00 O ATOM 1083 CB LEU B 28 -7.570 -1.973 -0.131 1.00 0.00 C ATOM 1084 CG LEU B 28 -6.405 -2.926 -0.309 1.00 0.00 C ATOM 1085 CD1 LEU B 28 -6.320 -3.877 0.860 1.00 0.00 C ATOM 1086 CD2 LEU B 28 -6.553 -3.667 -1.621 1.00 0.00 C ATOM 0 H LEU B 28 -9.419 -0.493 -0.288 1.00 0.00 H new ATOM 0 HA LEU B 28 -8.921 -2.997 -1.460 1.00 0.00 H new ATOM 0 HB2 LEU B 28 -7.381 -1.087 -0.738 1.00 0.00 H new ATOM 0 HB3 LEU B 28 -7.588 -1.649 0.909 1.00 0.00 H new ATOM 0 HG LEU B 28 -5.473 -2.361 -0.338 1.00 0.00 H new ATOM 0 HD11 LEU B 28 -5.478 -4.555 0.717 1.00 0.00 H new ATOM 0 HD12 LEU B 28 -6.178 -3.311 1.780 1.00 0.00 H new ATOM 0 HD13 LEU B 28 -7.243 -4.453 0.928 1.00 0.00 H new ATOM 0 HD21 LEU B 28 -5.715 -4.352 -1.748 1.00 0.00 H new ATOM 0 HD22 LEU B 28 -7.486 -4.231 -1.617 1.00 0.00 H new ATOM 0 HD23 LEU B 28 -6.565 -2.952 -2.443 1.00 0.00 H new ATOM 1098 N LYS B 29 -9.997 -3.147 1.627 1.00 0.00 N ATOM 1099 CA LYS B 29 -10.554 -4.076 2.611 1.00 0.00 C ATOM 1100 C LYS B 29 -11.618 -4.951 1.958 1.00 0.00 C ATOM 1101 O LYS B 29 -11.671 -6.159 2.185 1.00 0.00 O ATOM 1102 CB LYS B 29 -11.125 -3.297 3.810 1.00 0.00 C ATOM 1103 CG LYS B 29 -11.748 -4.153 4.908 1.00 0.00 C ATOM 1104 CD LYS B 29 -13.191 -4.520 4.595 1.00 0.00 C ATOM 1105 CE LYS B 29 -13.817 -5.333 5.714 1.00 0.00 C ATOM 1106 NZ LYS B 29 -13.808 -4.597 7.005 1.00 0.00 N ATOM 0 H LYS B 29 -10.091 -2.163 1.877 1.00 0.00 H new ATOM 0 HA LYS B 29 -9.763 -4.728 2.981 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -10.325 -2.700 4.248 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -11.879 -2.600 3.444 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -11.162 -5.063 5.035 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -11.708 -3.614 5.855 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -13.772 -3.611 4.436 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -13.229 -5.089 3.666 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -14.843 -5.587 5.448 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -13.275 -6.272 5.828 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -14.469 -5.051 7.668 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -12.849 -4.613 7.407 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -14.100 -3.612 6.845 1.00 0.00 H new ATOM 1120 N VAL B 30 -12.448 -4.334 1.136 1.00 0.00 N ATOM 1121 CA VAL B 30 -13.477 -5.053 0.402 1.00 0.00 C ATOM 1122 C VAL B 30 -12.849 -5.983 -0.619 1.00 0.00 C ATOM 1123 O VAL B 30 -13.337 -7.085 -0.870 1.00 0.00 O ATOM 1124 CB VAL B 30 -14.433 -4.072 -0.285 1.00 0.00 C ATOM 1125 CG1 VAL B 30 -15.502 -4.800 -1.086 1.00 0.00 C ATOM 1126 CG2 VAL B 30 -15.053 -3.169 0.761 1.00 0.00 C ATOM 0 H VAL B 30 -12.430 -3.330 0.959 1.00 0.00 H new ATOM 0 HA VAL B 30 -14.049 -5.652 1.110 1.00 0.00 H new ATOM 0 HB VAL B 30 -13.868 -3.467 -0.994 1.00 0.00 H new ATOM 0 HG11 VAL B 30 -16.161 -4.072 -1.559 1.00 0.00 H new ATOM 0 HG12 VAL B 30 -15.028 -5.412 -1.853 1.00 0.00 H new ATOM 0 HG13 VAL B 30 -16.084 -5.438 -0.421 1.00 0.00 H new ATOM 0 HG21 VAL B 30 -15.735 -2.468 0.279 1.00 0.00 H new ATOM 0 HG22 VAL B 30 -15.604 -3.773 1.483 1.00 0.00 H new ATOM 0 HG23 VAL B 30 -14.268 -2.615 1.275 1.00 0.00 H new ATOM 1136 N TYR B 31 -11.744 -5.537 -1.176 1.00 0.00 N ATOM 1137 CA TYR B 31 -10.971 -6.337 -2.099 1.00 0.00 C ATOM 1138 C TYR B 31 -10.448 -7.584 -1.390 1.00 0.00 C ATOM 1139 O TYR B 31 -10.436 -8.681 -1.954 1.00 0.00 O ATOM 1140 CB TYR B 31 -9.814 -5.506 -2.652 1.00 0.00 C ATOM 1141 CG TYR B 31 -8.931 -6.262 -3.608 1.00 0.00 C ATOM 1142 CD1 TYR B 31 -9.316 -6.461 -4.921 1.00 0.00 C ATOM 1143 CD2 TYR B 31 -7.721 -6.791 -3.187 1.00 0.00 C ATOM 1144 CE1 TYR B 31 -8.521 -7.165 -5.794 1.00 0.00 C ATOM 1145 CE2 TYR B 31 -6.917 -7.501 -4.052 1.00 0.00 C ATOM 1146 CZ TYR B 31 -7.319 -7.689 -5.360 1.00 0.00 C ATOM 1147 OH TYR B 31 -6.524 -8.408 -6.231 1.00 0.00 O ATOM 0 H TYR B 31 -11.357 -4.610 -1.001 1.00 0.00 H new ATOM 0 HA TYR B 31 -11.604 -6.651 -2.929 1.00 0.00 H new ATOM 0 HB2 TYR B 31 -10.217 -4.629 -3.159 1.00 0.00 H new ATOM 0 HB3 TYR B 31 -9.209 -5.143 -1.821 1.00 0.00 H new ATOM 0 HD1 TYR B 31 -10.256 -6.057 -5.266 1.00 0.00 H new ATOM 0 HD2 TYR B 31 -7.403 -6.644 -2.165 1.00 0.00 H new ATOM 0 HE1 TYR B 31 -8.836 -7.308 -6.817 1.00 0.00 H new ATOM 0 HE2 TYR B 31 -5.977 -7.908 -3.709 1.00 0.00 H new ATOM 0 HH TYR B 31 -5.714 -8.704 -5.766 1.00 0.00 H new ATOM 1157 N CYS B 32 -10.041 -7.405 -0.139 1.00 0.00 N ATOM 1158 CA CYS B 32 -9.530 -8.506 0.669 1.00 0.00 C ATOM 1159 C CYS B 32 -10.650 -9.448 1.084 1.00 0.00 C ATOM 1160 O CYS B 32 -10.449 -10.647 1.201 1.00 0.00 O ATOM 1161 CB CYS B 32 -8.814 -7.973 1.908 1.00 0.00 C ATOM 1162 SG CYS B 32 -7.427 -6.886 1.531 1.00 0.00 S ATOM 0 H CYS B 32 -10.055 -6.504 0.339 1.00 0.00 H new ATOM 0 HA CYS B 32 -8.819 -9.064 0.059 1.00 0.00 H new ATOM 0 HB2 CYS B 32 -9.530 -7.432 2.526 1.00 0.00 H new ATOM 0 HB3 CYS B 32 -8.454 -8.815 2.499 1.00 0.00 H new ATOM 0 HG CYS B 32 -7.634 -6.298 0.390 1.00 0.00 H new ATOM 1168 N ALA B 33 -11.832 -8.906 1.281 1.00 0.00 N ATOM 1169 CA ALA B 33 -12.974 -9.702 1.689 1.00 0.00 C ATOM 1170 C ALA B 33 -13.515 -10.499 0.508 1.00 0.00 C ATOM 1171 O ALA B 33 -13.919 -11.653 0.647 1.00 0.00 O ATOM 1172 CB ALA B 33 -14.045 -8.797 2.272 1.00 0.00 C ATOM 0 H ALA B 33 -12.030 -7.912 1.165 1.00 0.00 H new ATOM 0 HA ALA B 33 -12.663 -10.411 2.456 1.00 0.00 H new ATOM 0 HB1 ALA B 33 -14.902 -9.397 2.578 1.00 0.00 H new ATOM 0 HB2 ALA B 33 -13.644 -8.270 3.138 1.00 0.00 H new ATOM 0 HB3 ALA B 33 -14.359 -8.073 1.520 1.00 0.00 H new ATOM 1178 N LYS B 34 -13.487 -9.876 -0.658 1.00 0.00 N ATOM 1179 CA LYS B 34 -14.004 -10.476 -1.875 1.00 0.00 C ATOM 1180 C LYS B 34 -13.077 -11.567 -2.394 1.00 0.00 C ATOM 1181 O LYS B 34 -13.535 -12.607 -2.866 1.00 0.00 O ATOM 1182 CB LYS B 34 -14.201 -9.382 -2.927 1.00 0.00 C ATOM 1183 CG LYS B 34 -14.821 -9.855 -4.228 1.00 0.00 C ATOM 1184 CD LYS B 34 -15.021 -8.689 -5.182 1.00 0.00 C ATOM 1185 CE LYS B 34 -15.616 -9.128 -6.508 1.00 0.00 C ATOM 1186 NZ LYS B 34 -15.827 -7.975 -7.425 1.00 0.00 N ATOM 0 H LYS B 34 -13.105 -8.939 -0.787 1.00 0.00 H new ATOM 0 HA LYS B 34 -14.962 -10.948 -1.657 1.00 0.00 H new ATOM 0 HB2 LYS B 34 -14.831 -8.600 -2.504 1.00 0.00 H new ATOM 0 HB3 LYS B 34 -13.234 -8.929 -3.145 1.00 0.00 H new ATOM 0 HG2 LYS B 34 -14.179 -10.605 -4.691 1.00 0.00 H new ATOM 0 HG3 LYS B 34 -15.779 -10.335 -4.027 1.00 0.00 H new ATOM 0 HD2 LYS B 34 -15.676 -7.951 -4.719 1.00 0.00 H new ATOM 0 HD3 LYS B 34 -14.064 -8.199 -5.360 1.00 0.00 H new ATOM 0 HE2 LYS B 34 -14.954 -9.853 -6.982 1.00 0.00 H new ATOM 0 HE3 LYS B 34 -16.567 -9.631 -6.332 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 -16.234 -8.313 -8.320 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 -16.478 -7.295 -6.983 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 -14.916 -7.510 -7.613 1.00 0.00 H new ATOM 1200 N ASN B 35 -11.777 -11.340 -2.294 1.00 0.00 N ATOM 1201 CA ASN B 35 -10.809 -12.330 -2.748 1.00 0.00 C ATOM 1202 C ASN B 35 -10.373 -13.203 -1.593 1.00 0.00 C ATOM 1203 O ASN B 35 -9.550 -14.103 -1.760 1.00 0.00 O ATOM 1204 CB ASN B 35 -9.580 -11.656 -3.361 1.00 0.00 C ATOM 1205 CG ASN B 35 -9.885 -10.942 -4.663 1.00 0.00 C ATOM 1206 OD1 ASN B 35 -9.782 -11.524 -5.744 1.00 0.00 O ATOM 1207 ND2 ASN B 35 -10.256 -9.676 -4.572 1.00 0.00 N ATOM 0 H ASN B 35 -11.369 -10.489 -1.907 1.00 0.00 H new ATOM 0 HA ASN B 35 -11.291 -12.943 -3.510 1.00 0.00 H new ATOM 0 HB2 ASN B 35 -9.171 -10.941 -2.648 1.00 0.00 H new ATOM 0 HB3 ASN B 35 -8.810 -12.407 -3.536 1.00 0.00 H new ATOM 0 HD21 ASN B 35 -10.469 -9.145 -5.416 1.00 0.00 H new ATOM 0 HD22 ASN B 35 -10.329 -9.230 -3.657 1.00 0.00 H new ATOM 1214 N ASN B 36 -10.935 -12.923 -0.418 1.00 0.00 N ATOM 1215 CA ASN B 36 -10.545 -13.604 0.819 1.00 0.00 C ATOM 1216 C ASN B 36 -9.049 -13.435 1.092 1.00 0.00 C ATOM 1217 O ASN B 36 -8.433 -14.240 1.791 1.00 0.00 O ATOM 1218 CB ASN B 36 -10.925 -15.085 0.758 1.00 0.00 C ATOM 1219 CG ASN B 36 -12.406 -15.315 0.994 1.00 0.00 C ATOM 1220 OD1 ASN B 36 -13.052 -14.568 1.729 1.00 0.00 O ATOM 1221 ND2 ASN B 36 -12.957 -16.347 0.374 1.00 0.00 N ATOM 0 H ASN B 36 -11.668 -12.224 -0.295 1.00 0.00 H new ATOM 0 HA ASN B 36 -11.087 -13.144 1.645 1.00 0.00 H new ATOM 0 HB2 ASN B 36 -10.649 -15.488 -0.216 1.00 0.00 H new ATOM 0 HB3 ASN B 36 -10.352 -15.635 1.504 1.00 0.00 H new ATOM 0 HD21 ASN B 36 -13.950 -16.546 0.498 1.00 0.00 H new ATOM 0 HD22 ASN B 36 -12.389 -16.943 -0.227 1.00 0.00 H new ATOM 1228 N LEU B 37 -8.483 -12.369 0.530 1.00 0.00 N ATOM 1229 CA LEU B 37 -7.083 -12.022 0.720 1.00 0.00 C ATOM 1230 C LEU B 37 -6.840 -11.472 2.115 1.00 0.00 C ATOM 1231 O LEU B 37 -7.776 -11.154 2.848 1.00 0.00 O ATOM 1232 CB LEU B 37 -6.669 -10.965 -0.304 1.00 0.00 C ATOM 1233 CG LEU B 37 -5.661 -11.421 -1.357 1.00 0.00 C ATOM 1234 CD1 LEU B 37 -6.207 -12.591 -2.158 1.00 0.00 C ATOM 1235 CD2 LEU B 37 -5.309 -10.261 -2.274 1.00 0.00 C ATOM 0 H LEU B 37 -8.989 -11.720 -0.073 1.00 0.00 H new ATOM 0 HA LEU B 37 -6.492 -12.928 0.589 1.00 0.00 H new ATOM 0 HB2 LEU B 37 -7.564 -10.610 -0.815 1.00 0.00 H new ATOM 0 HB3 LEU B 37 -6.248 -10.113 0.230 1.00 0.00 H new ATOM 0 HG LEU B 37 -4.756 -11.756 -0.850 1.00 0.00 H new ATOM 0 HD11 LEU B 37 -5.471 -12.898 -2.901 1.00 0.00 H new ATOM 0 HD12 LEU B 37 -6.415 -13.425 -1.488 1.00 0.00 H new ATOM 0 HD13 LEU B 37 -7.127 -12.291 -2.660 1.00 0.00 H new ATOM 0 HD21 LEU B 37 -4.590 -10.594 -3.022 1.00 0.00 H new ATOM 0 HD22 LEU B 37 -6.211 -9.904 -2.771 1.00 0.00 H new ATOM 0 HD23 LEU B 37 -4.874 -9.452 -1.687 1.00 0.00 H new ATOM 1247 N GLN B 38 -5.572 -11.364 2.469 1.00 0.00 N ATOM 1248 CA GLN B 38 -5.191 -10.745 3.720 1.00 0.00 C ATOM 1249 C GLN B 38 -4.973 -9.262 3.499 1.00 0.00 C ATOM 1250 O GLN B 38 -4.314 -8.886 2.529 1.00 0.00 O ATOM 1251 CB GLN B 38 -3.917 -11.372 4.280 1.00 0.00 C ATOM 1252 CG GLN B 38 -4.053 -12.847 4.592 1.00 0.00 C ATOM 1253 CD GLN B 38 -2.761 -13.456 5.101 1.00 0.00 C ATOM 1254 OE1 GLN B 38 -2.507 -13.486 6.306 1.00 0.00 O ATOM 1255 NE2 GLN B 38 -1.930 -13.937 4.189 1.00 0.00 N ATOM 0 H GLN B 38 -4.790 -11.698 1.906 1.00 0.00 H new ATOM 0 HA GLN B 38 -5.993 -10.902 4.442 1.00 0.00 H new ATOM 0 HB2 GLN B 38 -3.109 -11.234 3.562 1.00 0.00 H new ATOM 0 HB3 GLN B 38 -3.630 -10.842 5.188 1.00 0.00 H new ATOM 0 HG2 GLN B 38 -4.835 -12.986 5.338 1.00 0.00 H new ATOM 0 HG3 GLN B 38 -4.371 -13.377 3.694 1.00 0.00 H new ATOM 0 HE21 GLN B 38 -2.177 -13.893 3.200 1.00 0.00 H new ATOM 0 HE22 GLN B 38 -1.043 -14.351 4.475 1.00 0.00 H new ATOM 1264 N LEU B 39 -5.540 -8.434 4.368 1.00 0.00 N ATOM 1265 CA LEU B 39 -5.383 -6.979 4.269 1.00 0.00 C ATOM 1266 C LEU B 39 -3.925 -6.611 4.009 1.00 0.00 C ATOM 1267 O LEU B 39 -3.610 -5.886 3.063 1.00 0.00 O ATOM 1268 CB LEU B 39 -5.863 -6.300 5.558 1.00 0.00 C ATOM 1269 CG LEU B 39 -6.897 -5.179 5.378 1.00 0.00 C ATOM 1270 CD1 LEU B 39 -6.515 -4.252 4.236 1.00 0.00 C ATOM 1271 CD2 LEU B 39 -8.285 -5.756 5.155 1.00 0.00 C ATOM 0 H LEU B 39 -6.115 -8.741 5.153 1.00 0.00 H new ATOM 0 HA LEU B 39 -5.990 -6.630 3.433 1.00 0.00 H new ATOM 0 HB2 LEU B 39 -6.291 -7.062 6.210 1.00 0.00 H new ATOM 0 HB3 LEU B 39 -4.996 -5.889 6.074 1.00 0.00 H new ATOM 0 HG LEU B 39 -6.910 -4.592 6.296 1.00 0.00 H new ATOM 0 HD11 LEU B 39 -7.267 -3.470 4.135 1.00 0.00 H new ATOM 0 HD12 LEU B 39 -5.546 -3.799 4.444 1.00 0.00 H new ATOM 0 HD13 LEU B 39 -6.457 -4.822 3.309 1.00 0.00 H new ATOM 0 HD21 LEU B 39 -9.001 -4.944 5.030 1.00 0.00 H new ATOM 0 HD22 LEU B 39 -8.281 -6.377 4.259 1.00 0.00 H new ATOM 0 HD23 LEU B 39 -8.570 -6.362 6.015 1.00 0.00 H new ATOM 1283 N THR B 40 -3.042 -7.150 4.834 1.00 0.00 N ATOM 1284 CA THR B 40 -1.621 -6.883 4.728 1.00 0.00 C ATOM 1285 C THR B 40 -1.070 -7.304 3.375 1.00 0.00 C ATOM 1286 O THR B 40 -0.387 -6.527 2.709 1.00 0.00 O ATOM 1287 CB THR B 40 -0.856 -7.616 5.836 1.00 0.00 C ATOM 1288 OG1 THR B 40 -1.521 -7.421 7.089 1.00 0.00 O ATOM 1289 CG2 THR B 40 0.579 -7.124 5.929 1.00 0.00 C ATOM 0 H THR B 40 -3.292 -7.783 5.594 1.00 0.00 H new ATOM 0 HA THR B 40 -1.485 -5.807 4.836 1.00 0.00 H new ATOM 0 HB THR B 40 -0.834 -8.679 5.594 1.00 0.00 H new ATOM 0 HG1 THR B 40 -1.032 -7.892 7.796 1.00 0.00 H new ATOM 0 HG21 THR B 40 1.097 -7.662 6.723 1.00 0.00 H new ATOM 0 HG22 THR B 40 1.086 -7.300 4.981 1.00 0.00 H new ATOM 0 HG23 THR B 40 0.584 -6.057 6.150 1.00 0.00 H new ATOM 1297 N GLN B 41 -1.385 -8.529 2.971 1.00 0.00 N ATOM 1298 CA GLN B 41 -0.919 -9.068 1.704 1.00 0.00 C ATOM 1299 C GLN B 41 -1.329 -8.154 0.556 1.00 0.00 C ATOM 1300 O GLN B 41 -0.566 -7.938 -0.381 1.00 0.00 O ATOM 1301 CB GLN B 41 -1.501 -10.463 1.494 1.00 0.00 C ATOM 1302 CG GLN B 41 -0.900 -11.207 0.311 1.00 0.00 C ATOM 1303 CD GLN B 41 -1.566 -12.546 0.065 1.00 0.00 C ATOM 1304 OE1 GLN B 41 -1.165 -13.563 0.626 1.00 0.00 O ATOM 1305 NE2 GLN B 41 -2.584 -12.556 -0.780 1.00 0.00 N ATOM 0 H GLN B 41 -1.967 -9.171 3.510 1.00 0.00 H new ATOM 0 HA GLN B 41 0.169 -9.131 1.726 1.00 0.00 H new ATOM 0 HB2 GLN B 41 -1.346 -11.051 2.398 1.00 0.00 H new ATOM 0 HB3 GLN B 41 -2.578 -10.379 1.349 1.00 0.00 H new ATOM 0 HG2 GLN B 41 -0.989 -10.591 -0.584 1.00 0.00 H new ATOM 0 HG3 GLN B 41 0.165 -11.362 0.487 1.00 0.00 H new ATOM 0 HE21 GLN B 41 -2.886 -11.689 -1.225 1.00 0.00 H new ATOM 0 HE22 GLN B 41 -3.067 -13.430 -0.986 1.00 0.00 H new ATOM 1314 N ALA B 42 -2.532 -7.602 0.652 1.00 0.00 N ATOM 1315 CA ALA B 42 -3.045 -6.701 -0.366 1.00 0.00 C ATOM 1316 C ALA B 42 -2.253 -5.405 -0.387 1.00 0.00 C ATOM 1317 O ALA B 42 -1.889 -4.922 -1.453 1.00 0.00 O ATOM 1318 CB ALA B 42 -4.508 -6.420 -0.123 1.00 0.00 C ATOM 0 H ALA B 42 -3.172 -7.765 1.430 1.00 0.00 H new ATOM 0 HA ALA B 42 -2.936 -7.182 -1.338 1.00 0.00 H new ATOM 0 HB1 ALA B 42 -4.881 -5.744 -0.892 1.00 0.00 H new ATOM 0 HB2 ALA B 42 -5.069 -7.354 -0.158 1.00 0.00 H new ATOM 0 HB3 ALA B 42 -4.632 -5.959 0.857 1.00 0.00 H new ATOM 1324 N ILE B 43 -1.983 -4.848 0.794 1.00 0.00 N ATOM 1325 CA ILE B 43 -1.137 -3.663 0.900 1.00 0.00 C ATOM 1326 C ILE B 43 0.234 -3.934 0.297 1.00 0.00 C ATOM 1327 O ILE B 43 0.756 -3.130 -0.465 1.00 0.00 O ATOM 1328 CB ILE B 43 -0.963 -3.201 2.368 1.00 0.00 C ATOM 1329 CG1 ILE B 43 -2.025 -2.164 2.738 1.00 0.00 C ATOM 1330 CG2 ILE B 43 0.436 -2.648 2.603 1.00 0.00 C ATOM 1331 CD1 ILE B 43 -3.427 -2.720 2.766 1.00 0.00 C ATOM 0 H ILE B 43 -2.336 -5.197 1.685 1.00 0.00 H new ATOM 0 HA ILE B 43 -1.636 -2.867 0.348 1.00 0.00 H new ATOM 0 HB ILE B 43 -1.094 -4.070 3.013 1.00 0.00 H new ATOM 0 HG12 ILE B 43 -1.789 -1.747 3.717 1.00 0.00 H new ATOM 0 HG13 ILE B 43 -1.983 -1.342 2.023 1.00 0.00 H new ATOM 0 HG21 ILE B 43 0.532 -2.331 3.641 1.00 0.00 H new ATOM 0 HG22 ILE B 43 1.174 -3.422 2.390 1.00 0.00 H new ATOM 0 HG23 ILE B 43 0.605 -1.795 1.946 1.00 0.00 H new ATOM 0 HD11 ILE B 43 -4.127 -1.929 3.036 1.00 0.00 H new ATOM 0 HD12 ILE B 43 -3.683 -3.111 1.781 1.00 0.00 H new ATOM 0 HD13 ILE B 43 -3.486 -3.522 3.501 1.00 0.00 H new ATOM 1343 N GLU B 44 0.802 -5.075 0.648 1.00 0.00 N ATOM 1344 CA GLU B 44 2.126 -5.455 0.179 1.00 0.00 C ATOM 1345 C GLU B 44 2.151 -5.595 -1.336 1.00 0.00 C ATOM 1346 O GLU B 44 3.099 -5.167 -1.986 1.00 0.00 O ATOM 1347 CB GLU B 44 2.568 -6.761 0.829 1.00 0.00 C ATOM 1348 CG GLU B 44 2.702 -6.684 2.338 1.00 0.00 C ATOM 1349 CD GLU B 44 3.163 -7.990 2.944 1.00 0.00 C ATOM 1350 OE1 GLU B 44 2.315 -8.869 3.211 1.00 0.00 O ATOM 1351 OE2 GLU B 44 4.382 -8.150 3.146 1.00 0.00 O ATOM 0 H GLU B 44 0.363 -5.761 1.262 1.00 0.00 H new ATOM 0 HA GLU B 44 2.820 -4.664 0.463 1.00 0.00 H new ATOM 0 HB2 GLU B 44 1.850 -7.541 0.578 1.00 0.00 H new ATOM 0 HB3 GLU B 44 3.526 -7.061 0.404 1.00 0.00 H new ATOM 0 HG2 GLU B 44 3.410 -5.897 2.597 1.00 0.00 H new ATOM 0 HG3 GLU B 44 1.742 -6.405 2.771 1.00 0.00 H new ATOM 1358 N GLU B 45 1.114 -6.198 -1.896 1.00 0.00 N ATOM 1359 CA GLU B 45 0.995 -6.300 -3.343 1.00 0.00 C ATOM 1360 C GLU B 45 0.729 -4.921 -3.931 1.00 0.00 C ATOM 1361 O GLU B 45 1.189 -4.603 -5.026 1.00 0.00 O ATOM 1362 CB GLU B 45 -0.131 -7.262 -3.736 1.00 0.00 C ATOM 1363 CG GLU B 45 0.060 -8.683 -3.229 1.00 0.00 C ATOM 1364 CD GLU B 45 1.337 -9.327 -3.727 1.00 0.00 C ATOM 1365 OE1 GLU B 45 2.399 -9.119 -3.104 1.00 0.00 O ATOM 1366 OE2 GLU B 45 1.273 -10.071 -4.726 1.00 0.00 O ATOM 0 H GLU B 45 0.347 -6.622 -1.375 1.00 0.00 H new ATOM 0 HA GLU B 45 1.931 -6.693 -3.740 1.00 0.00 H new ATOM 0 HB2 GLU B 45 -1.075 -6.875 -3.353 1.00 0.00 H new ATOM 0 HB3 GLU B 45 -0.213 -7.284 -4.823 1.00 0.00 H new ATOM 0 HG2 GLU B 45 0.066 -8.675 -2.139 1.00 0.00 H new ATOM 0 HG3 GLU B 45 -0.790 -9.290 -3.539 1.00 0.00 H new ATOM 1373 N ALA B 46 -0.003 -4.103 -3.178 1.00 0.00 N ATOM 1374 CA ALA B 46 -0.314 -2.746 -3.590 1.00 0.00 C ATOM 1375 C ALA B 46 0.950 -1.920 -3.694 1.00 0.00 C ATOM 1376 O ALA B 46 1.245 -1.340 -4.735 1.00 0.00 O ATOM 1377 CB ALA B 46 -1.281 -2.095 -2.606 1.00 0.00 C ATOM 0 H ALA B 46 -0.393 -4.364 -2.272 1.00 0.00 H new ATOM 0 HA ALA B 46 -0.788 -2.789 -4.571 1.00 0.00 H new ATOM 0 HB1 ALA B 46 -1.502 -1.079 -2.932 1.00 0.00 H new ATOM 0 HB2 ALA B 46 -2.205 -2.673 -2.567 1.00 0.00 H new ATOM 0 HB3 ALA B 46 -0.828 -2.068 -1.615 1.00 0.00 H new ATOM 1383 N ILE B 47 1.701 -1.894 -2.607 1.00 0.00 N ATOM 1384 CA ILE B 47 2.899 -1.106 -2.519 1.00 0.00 C ATOM 1385 C ILE B 47 3.995 -1.672 -3.423 1.00 0.00 C ATOM 1386 O ILE B 47 4.881 -0.948 -3.874 1.00 0.00 O ATOM 1387 CB ILE B 47 3.367 -1.029 -1.049 1.00 0.00 C ATOM 1388 CG1 ILE B 47 4.518 -0.047 -0.897 1.00 0.00 C ATOM 1389 CG2 ILE B 47 3.759 -2.400 -0.521 1.00 0.00 C ATOM 1390 CD1 ILE B 47 4.851 0.261 0.543 1.00 0.00 C ATOM 0 H ILE B 47 1.489 -2.424 -1.762 1.00 0.00 H new ATOM 0 HA ILE B 47 2.683 -0.096 -2.867 1.00 0.00 H new ATOM 0 HB ILE B 47 2.528 -0.669 -0.454 1.00 0.00 H new ATOM 0 HG12 ILE B 47 5.402 -0.454 -1.388 1.00 0.00 H new ATOM 0 HG13 ILE B 47 4.266 0.880 -1.411 1.00 0.00 H new ATOM 0 HG21 ILE B 47 4.084 -2.311 0.516 1.00 0.00 H new ATOM 0 HG22 ILE B 47 2.901 -3.070 -0.577 1.00 0.00 H new ATOM 0 HG23 ILE B 47 4.574 -2.803 -1.123 1.00 0.00 H new ATOM 0 HD11 ILE B 47 5.680 0.967 0.582 1.00 0.00 H new ATOM 0 HD12 ILE B 47 3.980 0.697 1.033 1.00 0.00 H new ATOM 0 HD13 ILE B 47 5.133 -0.658 1.056 1.00 0.00 H new ATOM 1402 N LYS B 48 3.906 -2.963 -3.717 1.00 0.00 N ATOM 1403 CA LYS B 48 4.866 -3.610 -4.594 1.00 0.00 C ATOM 1404 C LYS B 48 4.608 -3.198 -6.040 1.00 0.00 C ATOM 1405 O LYS B 48 5.488 -2.647 -6.703 1.00 0.00 O ATOM 1406 CB LYS B 48 4.773 -5.130 -4.450 1.00 0.00 C ATOM 1407 CG LYS B 48 5.679 -5.924 -5.393 1.00 0.00 C ATOM 1408 CD LYS B 48 7.135 -5.995 -4.923 1.00 0.00 C ATOM 1409 CE LYS B 48 7.860 -4.659 -5.034 1.00 0.00 C ATOM 1410 NZ LYS B 48 9.334 -4.809 -4.898 1.00 0.00 N ATOM 0 H LYS B 48 3.177 -3.581 -3.359 1.00 0.00 H new ATOM 0 HA LYS B 48 5.871 -3.296 -4.312 1.00 0.00 H new ATOM 0 HB2 LYS B 48 5.018 -5.398 -3.423 1.00 0.00 H new ATOM 0 HB3 LYS B 48 3.740 -5.434 -4.621 1.00 0.00 H new ATOM 0 HG2 LYS B 48 5.288 -6.936 -5.493 1.00 0.00 H new ATOM 0 HG3 LYS B 48 5.647 -5.470 -6.383 1.00 0.00 H new ATOM 0 HD2 LYS B 48 7.161 -6.332 -3.887 1.00 0.00 H new ATOM 0 HD3 LYS B 48 7.666 -6.741 -5.514 1.00 0.00 H new ATOM 0 HE2 LYS B 48 7.630 -4.201 -5.996 1.00 0.00 H new ATOM 0 HE3 LYS B 48 7.492 -3.982 -4.263 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 9.787 -3.876 -4.980 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 9.557 -5.222 -3.970 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 9.690 -5.434 -5.649 1.00 0.00 H new ATOM 1424 N GLU B 49 3.388 -3.452 -6.520 1.00 0.00 N ATOM 1425 CA GLU B 49 2.989 -3.047 -7.855 1.00 0.00 C ATOM 1426 C GLU B 49 3.022 -1.544 -8.027 1.00 0.00 C ATOM 1427 O GLU B 49 3.016 -1.041 -9.148 1.00 0.00 O ATOM 1428 CB GLU B 49 1.616 -3.583 -8.171 1.00 0.00 C ATOM 1429 CG GLU B 49 1.676 -5.044 -8.539 1.00 0.00 C ATOM 1430 CD GLU B 49 2.888 -5.374 -9.384 1.00 0.00 C ATOM 1431 OE1 GLU B 49 2.934 -4.923 -10.549 1.00 0.00 O ATOM 1432 OE2 GLU B 49 3.791 -6.079 -8.893 1.00 0.00 O ATOM 0 H GLU B 49 2.662 -3.939 -5.995 1.00 0.00 H new ATOM 0 HA GLU B 49 3.710 -3.468 -8.556 1.00 0.00 H new ATOM 0 HB2 GLU B 49 0.962 -3.448 -7.309 1.00 0.00 H new ATOM 0 HB3 GLU B 49 1.181 -3.015 -8.993 1.00 0.00 H new ATOM 0 HG2 GLU B 49 1.695 -5.645 -7.630 1.00 0.00 H new ATOM 0 HG3 GLU B 49 0.772 -5.317 -9.083 1.00 0.00 H new ATOM 1439 N TYR B 50 3.058 -0.839 -6.913 1.00 0.00 N ATOM 1440 CA TYR B 50 3.153 0.598 -6.919 1.00 0.00 C ATOM 1441 C TYR B 50 4.535 1.031 -7.358 1.00 0.00 C ATOM 1442 O TYR B 50 4.679 1.837 -8.273 1.00 0.00 O ATOM 1443 CB TYR B 50 2.855 1.133 -5.532 1.00 0.00 C ATOM 1444 CG TYR B 50 3.016 2.618 -5.404 1.00 0.00 C ATOM 1445 CD1 TYR B 50 2.205 3.467 -6.122 1.00 0.00 C ATOM 1446 CD2 TYR B 50 3.958 3.160 -4.549 1.00 0.00 C ATOM 1447 CE1 TYR B 50 2.320 4.834 -6.002 1.00 0.00 C ATOM 1448 CE2 TYR B 50 4.085 4.530 -4.413 1.00 0.00 C ATOM 1449 CZ TYR B 50 3.263 5.364 -5.143 1.00 0.00 C ATOM 1450 OH TYR B 50 3.383 6.728 -5.013 1.00 0.00 O ATOM 0 H TYR B 50 3.022 -1.251 -5.981 1.00 0.00 H new ATOM 0 HA TYR B 50 2.424 1.000 -7.623 1.00 0.00 H new ATOM 0 HB2 TYR B 50 1.834 0.864 -5.262 1.00 0.00 H new ATOM 0 HB3 TYR B 50 3.514 0.643 -4.815 1.00 0.00 H new ATOM 0 HD1 TYR B 50 1.465 3.054 -6.792 1.00 0.00 H new ATOM 0 HD2 TYR B 50 4.602 2.505 -3.981 1.00 0.00 H new ATOM 0 HE1 TYR B 50 1.678 5.487 -6.575 1.00 0.00 H new ATOM 0 HE2 TYR B 50 4.822 4.944 -3.741 1.00 0.00 H new ATOM 0 HH TYR B 50 4.324 6.961 -4.866 1.00 0.00 H new ATOM 1460 N LEU B 51 5.547 0.488 -6.697 1.00 0.00 N ATOM 1461 CA LEU B 51 6.927 0.772 -7.054 1.00 0.00 C ATOM 1462 C LEU B 51 7.213 0.399 -8.504 1.00 0.00 C ATOM 1463 O LEU B 51 7.994 1.061 -9.174 1.00 0.00 O ATOM 1464 CB LEU B 51 7.901 0.045 -6.127 1.00 0.00 C ATOM 1465 CG LEU B 51 8.369 0.831 -4.892 1.00 0.00 C ATOM 1466 CD1 LEU B 51 8.117 2.324 -5.057 1.00 0.00 C ATOM 1467 CD2 LEU B 51 7.705 0.302 -3.631 1.00 0.00 C ATOM 0 H LEU B 51 5.437 -0.152 -5.910 1.00 0.00 H new ATOM 0 HA LEU B 51 7.073 1.846 -6.938 1.00 0.00 H new ATOM 0 HB2 LEU B 51 7.430 -0.878 -5.789 1.00 0.00 H new ATOM 0 HB3 LEU B 51 8.779 -0.240 -6.706 1.00 0.00 H new ATOM 0 HG LEU B 51 9.445 0.688 -4.794 1.00 0.00 H new ATOM 0 HD11 LEU B 51 8.459 2.851 -4.166 1.00 0.00 H new ATOM 0 HD12 LEU B 51 8.661 2.691 -5.927 1.00 0.00 H new ATOM 0 HD13 LEU B 51 7.050 2.500 -5.195 1.00 0.00 H new ATOM 0 HD21 LEU B 51 8.052 0.874 -2.770 1.00 0.00 H new ATOM 0 HD22 LEU B 51 6.623 0.401 -3.721 1.00 0.00 H new ATOM 0 HD23 LEU B 51 7.963 -0.748 -3.497 1.00 0.00 H new ATOM 1479 N GLN B 52 6.565 -0.648 -8.989 1.00 0.00 N ATOM 1480 CA GLN B 52 6.748 -1.068 -10.375 1.00 0.00 C ATOM 1481 C GLN B 52 5.967 -0.168 -11.322 1.00 0.00 C ATOM 1482 O GLN B 52 6.433 0.143 -12.417 1.00 0.00 O ATOM 1483 CB GLN B 52 6.337 -2.528 -10.589 1.00 0.00 C ATOM 1484 CG GLN B 52 7.444 -3.536 -10.316 1.00 0.00 C ATOM 1485 CD GLN B 52 7.698 -3.771 -8.843 1.00 0.00 C ATOM 1486 OE1 GLN B 52 8.491 -3.071 -8.211 1.00 0.00 O ATOM 1487 NE2 GLN B 52 7.033 -4.772 -8.291 1.00 0.00 N ATOM 0 H GLN B 52 5.913 -1.220 -8.452 1.00 0.00 H new ATOM 0 HA GLN B 52 7.812 -0.981 -10.595 1.00 0.00 H new ATOM 0 HB2 GLN B 52 5.489 -2.753 -9.942 1.00 0.00 H new ATOM 0 HB3 GLN B 52 5.995 -2.650 -11.617 1.00 0.00 H new ATOM 0 HG2 GLN B 52 7.185 -4.484 -10.788 1.00 0.00 H new ATOM 0 HG3 GLN B 52 8.365 -3.188 -10.784 1.00 0.00 H new ATOM 0 HE21 GLN B 52 6.386 -5.326 -8.853 1.00 0.00 H new ATOM 0 HE22 GLN B 52 7.167 -4.990 -7.304 1.00 0.00 H new