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 -147:sc= 0.471 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 -149:sc= 0.472 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 MET CE :methyl -130:sc= -1.26 (180deg=-3.08!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ -163:sc= -1.4 (180deg=-2.11!) USER MOD Single : A 26 THR OG1 : rot 82:sc= 0.323 USER MOD Single : A 29 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0603) USER MOD Single : A 32 CYS SG : rot 20:sc= -4.28! USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= 0.943 K(o=0.94,f=0) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.00709 USER MOD Single : A 41 GLN : amide:sc= -1.91! K(o=-1.9!,f=-0.73) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -4.69! K(o=-4.7!,f=-1.7) USER MOD Single : B 19 TYR OH : rot 180:sc= 0 USER MOD Single : B 20 MET CE :methyl -128:sc= -1.37 (180deg=-3.07!) USER MOD Single : B 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 25 LYS NZ :NH3+ -158:sc= -1.46 (180deg=-2.21!) USER MOD Single : B 26 THR OG1 : rot 81:sc= 0.308 USER MOD Single : B 29 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0516) USER MOD Single : B 32 CYS SG : rot 31:sc= -4.19! USER MOD Single : B 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 35 ASN : amide:sc= 0.867 K(o=0.87,f=0) USER MOD Single : B 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 40 THR OG1 : rot 180:sc=0.000785 USER MOD Single : B 41 GLN : amide:sc= -2.05! K(o=-2.1!,f=-0.79) USER MOD Single : B 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 52 GLN : amide:sc= -4.58! K(o=-4.6!,f=-1.6) USER MOD ----------------------------------------------------------------- ATOM 62 N ALA A 14 -7.938 6.886 9.046 1.00 0.00 N ATOM 63 CA ALA A 14 -8.003 5.674 9.836 1.00 0.00 C ATOM 64 C ALA A 14 -6.586 5.218 10.146 1.00 0.00 C ATOM 65 O ALA A 14 -5.628 5.803 9.650 1.00 0.00 O ATOM 66 CB ALA A 14 -8.751 4.599 9.070 1.00 0.00 C ATOM 0 HA ALA A 14 -8.536 5.863 10.768 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -8.796 3.690 9.670 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -9.763 4.943 8.855 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -8.232 4.391 8.134 1.00 0.00 H new ATOM 72 N VAL A 15 -6.445 4.184 10.954 1.00 0.00 N ATOM 73 CA VAL A 15 -5.124 3.674 11.287 1.00 0.00 C ATOM 74 C VAL A 15 -4.963 2.276 10.723 1.00 0.00 C ATOM 75 O VAL A 15 -5.952 1.599 10.431 1.00 0.00 O ATOM 76 CB VAL A 15 -4.872 3.623 12.808 1.00 0.00 C ATOM 77 CG1 VAL A 15 -3.381 3.659 13.116 1.00 0.00 C ATOM 78 CG2 VAL A 15 -5.602 4.745 13.525 1.00 0.00 C ATOM 0 H VAL A 15 -7.220 3.683 11.389 1.00 0.00 H new ATOM 0 HA VAL A 15 -4.399 4.360 10.850 1.00 0.00 H new ATOM 0 HB VAL A 15 -5.270 2.678 13.178 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -3.231 3.622 14.195 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -2.893 2.802 12.652 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -2.950 4.579 12.721 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -5.405 4.682 14.595 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -5.253 5.706 13.148 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -6.674 4.654 13.348 1.00 0.00 H new ATOM 88 N PHE A 16 -3.726 1.845 10.579 1.00 0.00 N ATOM 89 CA PHE A 16 -3.439 0.545 10.010 1.00 0.00 C ATOM 90 C PHE A 16 -2.157 -0.002 10.617 1.00 0.00 C ATOM 91 O PHE A 16 -1.112 0.644 10.544 1.00 0.00 O ATOM 92 CB PHE A 16 -3.309 0.664 8.491 1.00 0.00 C ATOM 93 CG PHE A 16 -3.609 -0.604 7.746 1.00 0.00 C ATOM 94 CD1 PHE A 16 -4.718 -1.366 8.077 1.00 0.00 C ATOM 95 CD2 PHE A 16 -2.797 -1.025 6.707 1.00 0.00 C ATOM 96 CE1 PHE A 16 -5.010 -2.526 7.387 1.00 0.00 C ATOM 97 CE2 PHE A 16 -3.085 -2.184 6.013 1.00 0.00 C ATOM 98 CZ PHE A 16 -4.192 -2.934 6.353 1.00 0.00 C ATOM 0 H PHE A 16 -2.900 2.379 10.850 1.00 0.00 H new ATOM 0 HA PHE A 16 -4.254 -0.143 10.235 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -3.982 1.446 8.140 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -2.296 0.984 8.248 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -5.362 -1.049 8.884 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -1.930 -0.441 6.436 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -5.876 -3.112 7.656 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -2.444 -2.503 5.205 1.00 0.00 H new ATOM 0 HZ PHE A 16 -4.418 -3.840 5.810 1.00 0.00 H new ATOM 108 N GLY A 17 -2.248 -1.167 11.241 1.00 0.00 N ATOM 109 CA GLY A 17 -1.086 -1.778 11.856 1.00 0.00 C ATOM 110 C GLY A 17 -0.885 -3.197 11.379 1.00 0.00 C ATOM 111 O GLY A 17 -1.461 -4.134 11.934 1.00 0.00 O ATOM 0 H GLY A 17 -3.111 -1.703 11.333 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -0.199 -1.187 11.626 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -1.201 -1.771 12.940 1.00 0.00 H new ATOM 115 N ILE A 18 -0.072 -3.363 10.350 1.00 0.00 N ATOM 116 CA ILE A 18 0.105 -4.666 9.723 1.00 0.00 C ATOM 117 C ILE A 18 1.560 -5.100 9.730 1.00 0.00 C ATOM 118 O ILE A 18 2.455 -4.301 10.010 1.00 0.00 O ATOM 119 CB ILE A 18 -0.398 -4.653 8.272 1.00 0.00 C ATOM 120 CG1 ILE A 18 0.288 -3.539 7.473 1.00 0.00 C ATOM 121 CG2 ILE A 18 -1.903 -4.479 8.260 1.00 0.00 C ATOM 122 CD1 ILE A 18 0.072 -3.636 5.980 1.00 0.00 C ATOM 0 H ILE A 18 0.477 -2.613 9.929 1.00 0.00 H new ATOM 0 HA ILE A 18 -0.480 -5.375 10.309 1.00 0.00 H new ATOM 0 HB ILE A 18 -0.149 -5.603 7.798 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -0.081 -2.575 7.822 1.00 0.00 H new ATOM 0 HG13 ILE A 18 1.358 -3.564 7.678 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -2.260 -4.470 7.230 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -2.369 -5.304 8.798 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -2.164 -3.537 8.743 1.00 0.00 H new ATOM 0 HD11 ILE A 18 0.588 -2.814 5.484 1.00 0.00 H new ATOM 0 HD12 ILE A 18 0.467 -4.585 5.616 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -0.995 -3.580 5.762 1.00 0.00 H new ATOM 134 N TYR A 19 1.785 -6.371 9.424 1.00 0.00 N ATOM 135 CA TYR A 19 3.130 -6.903 9.330 1.00 0.00 C ATOM 136 C TYR A 19 3.490 -7.164 7.875 1.00 0.00 C ATOM 137 O TYR A 19 3.198 -8.231 7.334 1.00 0.00 O ATOM 138 CB TYR A 19 3.269 -8.197 10.132 1.00 0.00 C ATOM 139 CG TYR A 19 2.964 -8.046 11.602 1.00 0.00 C ATOM 140 CD1 TYR A 19 3.785 -7.291 12.429 1.00 0.00 C ATOM 141 CD2 TYR A 19 1.861 -8.673 12.166 1.00 0.00 C ATOM 142 CE1 TYR A 19 3.515 -7.162 13.776 1.00 0.00 C ATOM 143 CE2 TYR A 19 1.581 -8.546 13.513 1.00 0.00 C ATOM 144 CZ TYR A 19 2.411 -7.791 14.313 1.00 0.00 C ATOM 145 OH TYR A 19 2.134 -7.667 15.653 1.00 0.00 O ATOM 0 H TYR A 19 1.048 -7.051 9.237 1.00 0.00 H new ATOM 0 HA TYR A 19 3.813 -6.163 9.747 1.00 0.00 H new ATOM 0 HB2 TYR A 19 2.602 -8.948 9.709 1.00 0.00 H new ATOM 0 HB3 TYR A 19 4.285 -8.574 10.020 1.00 0.00 H new ATOM 0 HD1 TYR A 19 4.649 -6.796 12.011 1.00 0.00 H new ATOM 0 HD2 TYR A 19 1.212 -9.269 11.542 1.00 0.00 H new ATOM 0 HE1 TYR A 19 4.164 -6.572 14.406 1.00 0.00 H new ATOM 0 HE2 TYR A 19 0.717 -9.036 13.937 1.00 0.00 H new ATOM 0 HH TYR A 19 1.321 -8.171 15.867 1.00 0.00 H new ATOM 155 N MET A 20 4.121 -6.185 7.257 1.00 0.00 N ATOM 156 CA MET A 20 4.496 -6.275 5.847 1.00 0.00 C ATOM 157 C MET A 20 6.000 -6.492 5.720 1.00 0.00 C ATOM 158 O MET A 20 6.743 -6.186 6.652 1.00 0.00 O ATOM 159 CB MET A 20 4.071 -5.003 5.094 1.00 0.00 C ATOM 160 CG MET A 20 4.746 -3.731 5.586 1.00 0.00 C ATOM 161 SD MET A 20 4.032 -2.241 4.854 1.00 0.00 S ATOM 162 CE MET A 20 4.486 -2.442 3.133 1.00 0.00 C ATOM 0 H MET A 20 4.389 -5.310 7.707 1.00 0.00 H new ATOM 0 HA MET A 20 3.980 -7.125 5.401 1.00 0.00 H new ATOM 0 HB2 MET A 20 4.291 -5.131 4.034 1.00 0.00 H new ATOM 0 HB3 MET A 20 2.991 -4.885 5.183 1.00 0.00 H new ATOM 0 HG2 MET A 20 4.661 -3.675 6.671 1.00 0.00 H new ATOM 0 HG3 MET A 20 5.809 -3.774 5.351 1.00 0.00 H new ATOM 0 HE1 MET A 20 4.951 -1.525 2.770 1.00 0.00 H new ATOM 0 HE2 MET A 20 5.190 -3.269 3.037 1.00 0.00 H new ATOM 0 HE3 MET A 20 3.594 -2.654 2.544 1.00 0.00 H new ATOM 172 N ASP A 21 6.449 -7.021 4.580 1.00 0.00 N ATOM 173 CA ASP A 21 7.867 -7.279 4.378 1.00 0.00 C ATOM 174 C ASP A 21 8.682 -6.006 4.525 1.00 0.00 C ATOM 175 O ASP A 21 8.199 -4.901 4.261 1.00 0.00 O ATOM 176 CB ASP A 21 8.167 -7.888 3.006 1.00 0.00 C ATOM 177 CG ASP A 21 8.043 -9.396 2.971 1.00 0.00 C ATOM 178 OD1 ASP A 21 8.922 -10.074 3.538 1.00 0.00 O ATOM 179 OD2 ASP A 21 7.108 -9.914 2.326 1.00 0.00 O ATOM 0 H ASP A 21 5.854 -7.276 3.792 1.00 0.00 H new ATOM 0 HA ASP A 21 8.148 -7.998 5.147 1.00 0.00 H new ATOM 0 HB2 ASP A 21 7.486 -7.459 2.271 1.00 0.00 H new ATOM 0 HB3 ASP A 21 9.177 -7.608 2.707 1.00 0.00 H new ATOM 184 N LYS A 22 9.931 -6.172 4.915 1.00 0.00 N ATOM 185 CA LYS A 22 10.808 -5.049 5.143 1.00 0.00 C ATOM 186 C LYS A 22 11.319 -4.521 3.823 1.00 0.00 C ATOM 187 O LYS A 22 11.037 -3.398 3.456 1.00 0.00 O ATOM 188 CB LYS A 22 11.986 -5.464 6.021 1.00 0.00 C ATOM 189 CG LYS A 22 13.020 -4.371 6.185 1.00 0.00 C ATOM 190 CD LYS A 22 14.270 -4.887 6.870 1.00 0.00 C ATOM 191 CE LYS A 22 15.322 -3.799 6.999 1.00 0.00 C ATOM 192 NZ LYS A 22 16.633 -4.353 7.420 1.00 0.00 N ATOM 0 H LYS A 22 10.360 -7.082 5.081 1.00 0.00 H new ATOM 0 HA LYS A 22 10.247 -4.266 5.653 1.00 0.00 H new ATOM 0 HB2 LYS A 22 11.614 -5.754 7.004 1.00 0.00 H new ATOM 0 HB3 LYS A 22 12.462 -6.344 5.588 1.00 0.00 H new ATOM 0 HG2 LYS A 22 13.281 -3.966 5.207 1.00 0.00 H new ATOM 0 HG3 LYS A 22 12.597 -3.552 6.767 1.00 0.00 H new ATOM 0 HD2 LYS A 22 14.014 -5.266 7.859 1.00 0.00 H new ATOM 0 HD3 LYS A 22 14.678 -5.724 6.303 1.00 0.00 H new ATOM 0 HE2 LYS A 22 15.433 -3.285 6.044 1.00 0.00 H new ATOM 0 HE3 LYS A 22 14.991 -3.056 7.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 17.327 -3.582 7.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 16.532 -4.822 8.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 16.961 -5.044 6.715 1.00 0.00 H new ATOM 206 N ASP A 23 12.034 -5.377 3.110 1.00 0.00 N ATOM 207 CA ASP A 23 12.675 -5.032 1.838 1.00 0.00 C ATOM 208 C ASP A 23 11.724 -4.296 0.884 1.00 0.00 C ATOM 209 O ASP A 23 12.129 -3.384 0.165 1.00 0.00 O ATOM 210 CB ASP A 23 13.198 -6.322 1.197 1.00 0.00 C ATOM 211 CG ASP A 23 13.511 -6.191 -0.277 1.00 0.00 C ATOM 212 OD1 ASP A 23 14.540 -5.582 -0.628 1.00 0.00 O ATOM 213 OD2 ASP A 23 12.736 -6.732 -1.092 1.00 0.00 O ATOM 0 H ASP A 23 12.191 -6.343 3.396 1.00 0.00 H new ATOM 0 HA ASP A 23 13.498 -4.345 2.036 1.00 0.00 H new ATOM 0 HB2 ASP A 23 14.099 -6.638 1.723 1.00 0.00 H new ATOM 0 HB3 ASP A 23 12.457 -7.110 1.332 1.00 0.00 H new ATOM 218 N LEU A 24 10.459 -4.677 0.918 1.00 0.00 N ATOM 219 CA LEU A 24 9.437 -4.092 0.071 1.00 0.00 C ATOM 220 C LEU A 24 8.998 -2.729 0.622 1.00 0.00 C ATOM 221 O LEU A 24 9.012 -1.727 -0.096 1.00 0.00 O ATOM 222 CB LEU A 24 8.288 -5.112 -0.018 1.00 0.00 C ATOM 223 CG LEU A 24 6.947 -4.660 -0.592 1.00 0.00 C ATOM 224 CD1 LEU A 24 6.118 -4.051 0.517 1.00 0.00 C ATOM 225 CD2 LEU A 24 7.125 -3.689 -1.755 1.00 0.00 C ATOM 0 H LEU A 24 10.111 -5.407 1.539 1.00 0.00 H new ATOM 0 HA LEU A 24 9.809 -3.890 -0.933 1.00 0.00 H new ATOM 0 HB2 LEU A 24 8.638 -5.952 -0.618 1.00 0.00 H new ATOM 0 HB3 LEU A 24 8.106 -5.492 0.987 1.00 0.00 H new ATOM 0 HG LEU A 24 6.426 -5.527 -0.997 1.00 0.00 H new ATOM 0 HD11 LEU A 24 5.158 -3.725 0.117 1.00 0.00 H new ATOM 0 HD12 LEU A 24 5.952 -4.794 1.297 1.00 0.00 H new ATOM 0 HD13 LEU A 24 6.645 -3.195 0.937 1.00 0.00 H new ATOM 0 HD21 LEU A 24 6.147 -3.392 -2.134 1.00 0.00 H new ATOM 0 HD22 LEU A 24 7.665 -2.806 -1.412 1.00 0.00 H new ATOM 0 HD23 LEU A 24 7.691 -4.174 -2.551 1.00 0.00 H new ATOM 237 N LYS A 25 8.624 -2.689 1.899 1.00 0.00 N ATOM 238 CA LYS A 25 8.234 -1.443 2.550 1.00 0.00 C ATOM 239 C LYS A 25 9.403 -0.463 2.542 1.00 0.00 C ATOM 240 O LYS A 25 9.231 0.748 2.436 1.00 0.00 O ATOM 241 CB LYS A 25 7.827 -1.733 3.991 1.00 0.00 C ATOM 242 CG LYS A 25 7.173 -0.560 4.693 1.00 0.00 C ATOM 243 CD LYS A 25 6.986 -0.842 6.175 1.00 0.00 C ATOM 244 CE LYS A 25 8.213 -0.461 6.995 1.00 0.00 C ATOM 245 NZ LYS A 25 9.420 -1.248 6.627 1.00 0.00 N ATOM 0 H LYS A 25 8.583 -3.509 2.504 1.00 0.00 H new ATOM 0 HA LYS A 25 7.395 -1.003 2.010 1.00 0.00 H new ATOM 0 HB2 LYS A 25 7.139 -2.579 4.001 1.00 0.00 H new ATOM 0 HB3 LYS A 25 8.710 -2.034 4.554 1.00 0.00 H new ATOM 0 HG2 LYS A 25 7.786 0.332 4.564 1.00 0.00 H new ATOM 0 HG3 LYS A 25 6.206 -0.351 4.235 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.121 -0.290 6.541 1.00 0.00 H new ATOM 0 HD3 LYS A 25 6.771 -1.901 6.317 1.00 0.00 H new ATOM 0 HE2 LYS A 25 8.421 0.600 6.857 1.00 0.00 H new ATOM 0 HE3 LYS A 25 7.997 -0.609 8.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 10.131 -1.166 7.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 9.159 -2.247 6.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 9.816 -0.882 5.738 1.00 0.00 H new ATOM 259 N THR A 26 10.594 -1.028 2.646 1.00 0.00 N ATOM 260 CA THR A 26 11.833 -0.265 2.715 1.00 0.00 C ATOM 261 C THR A 26 12.198 0.305 1.348 1.00 0.00 C ATOM 262 O THR A 26 12.744 1.405 1.247 1.00 0.00 O ATOM 263 CB THR A 26 12.975 -1.143 3.276 1.00 0.00 C ATOM 264 OG1 THR A 26 12.733 -1.411 4.665 1.00 0.00 O ATOM 265 CG2 THR A 26 14.335 -0.478 3.116 1.00 0.00 C ATOM 0 H THR A 26 10.731 -2.038 2.685 1.00 0.00 H new ATOM 0 HA THR A 26 11.684 0.575 3.394 1.00 0.00 H new ATOM 0 HB THR A 26 12.991 -2.073 2.708 1.00 0.00 H new ATOM 0 HG1 THR A 26 12.095 -2.150 4.749 1.00 0.00 H new ATOM 0 HG21 THR A 26 15.109 -1.129 3.523 1.00 0.00 H new ATOM 0 HG22 THR A 26 14.531 -0.300 2.059 1.00 0.00 H new ATOM 0 HG23 THR A 26 14.341 0.471 3.651 1.00 0.00 H new ATOM 273 N ARG A 27 11.876 -0.439 0.306 1.00 0.00 N ATOM 274 CA ARG A 27 12.003 0.055 -1.056 1.00 0.00 C ATOM 275 C ARG A 27 11.200 1.345 -1.215 1.00 0.00 C ATOM 276 O ARG A 27 11.712 2.367 -1.677 1.00 0.00 O ATOM 277 CB ARG A 27 11.505 -1.013 -2.033 1.00 0.00 C ATOM 278 CG ARG A 27 11.136 -0.477 -3.404 1.00 0.00 C ATOM 279 CD ARG A 27 12.348 0.035 -4.174 1.00 0.00 C ATOM 280 NE ARG A 27 13.281 -1.041 -4.513 1.00 0.00 N ATOM 281 CZ ARG A 27 14.328 -0.899 -5.323 1.00 0.00 C ATOM 282 NH1 ARG A 27 14.564 0.265 -5.918 1.00 0.00 N ATOM 283 NH2 ARG A 27 15.124 -1.935 -5.553 1.00 0.00 N ATOM 0 H ARG A 27 11.522 -1.393 0.376 1.00 0.00 H new ATOM 0 HA ARG A 27 13.049 0.270 -1.273 1.00 0.00 H new ATOM 0 HB2 ARG A 27 12.278 -1.773 -2.148 1.00 0.00 H new ATOM 0 HB3 ARG A 27 10.634 -1.507 -1.602 1.00 0.00 H new ATOM 0 HG2 ARG A 27 10.649 -1.264 -3.980 1.00 0.00 H new ATOM 0 HG3 ARG A 27 10.412 0.330 -3.293 1.00 0.00 H new ATOM 0 HD2 ARG A 27 12.015 0.526 -5.088 1.00 0.00 H new ATOM 0 HD3 ARG A 27 12.864 0.787 -3.578 1.00 0.00 H new ATOM 0 HE ARG A 27 13.118 -1.960 -4.102 1.00 0.00 H new ATOM 0 HH11 ARG A 27 13.941 1.056 -5.755 1.00 0.00 H new ATOM 0 HH12 ARG A 27 15.368 0.367 -6.537 1.00 0.00 H new ATOM 0 HH21 ARG A 27 14.932 -2.834 -5.110 1.00 0.00 H new ATOM 0 HH22 ARG A 27 15.928 -1.833 -6.173 1.00 0.00 H new ATOM 297 N LEU A 28 9.941 1.273 -0.826 1.00 0.00 N ATOM 298 CA LEU A 28 9.048 2.423 -0.832 1.00 0.00 C ATOM 299 C LEU A 28 9.569 3.527 0.096 1.00 0.00 C ATOM 300 O LEU A 28 9.448 4.708 -0.211 1.00 0.00 O ATOM 301 CB LEU A 28 7.650 1.956 -0.416 1.00 0.00 C ATOM 302 CG LEU A 28 6.507 2.957 -0.544 1.00 0.00 C ATOM 303 CD1 LEU A 28 6.513 3.912 0.625 1.00 0.00 C ATOM 304 CD2 LEU A 28 6.585 3.704 -1.863 1.00 0.00 C ATOM 0 H LEU A 28 9.504 0.413 -0.495 1.00 0.00 H new ATOM 0 HA LEU A 28 9.002 2.849 -1.834 1.00 0.00 H new ATOM 0 HB2 LEU A 28 7.397 1.079 -1.012 1.00 0.00 H new ATOM 0 HB3 LEU A 28 7.699 1.632 0.624 1.00 0.00 H new ATOM 0 HG LEU A 28 5.565 2.409 -0.532 1.00 0.00 H new ATOM 0 HD11 LEU A 28 5.692 4.621 0.520 1.00 0.00 H new ATOM 0 HD12 LEU A 28 6.393 3.352 1.553 1.00 0.00 H new ATOM 0 HD13 LEU A 28 7.459 4.453 0.648 1.00 0.00 H new ATOM 0 HD21 LEU A 28 5.759 4.412 -1.930 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.530 4.243 -1.920 1.00 0.00 H new ATOM 0 HD23 LEU A 28 6.522 2.994 -2.688 1.00 0.00 H new ATOM 316 N LYS A 29 10.147 3.136 1.228 1.00 0.00 N ATOM 317 CA LYS A 29 10.740 4.095 2.161 1.00 0.00 C ATOM 318 C LYS A 29 11.767 4.969 1.443 1.00 0.00 C ATOM 319 O LYS A 29 11.845 6.177 1.672 1.00 0.00 O ATOM 320 CB LYS A 29 11.363 3.345 3.354 1.00 0.00 C ATOM 321 CG LYS A 29 12.039 4.229 4.398 1.00 0.00 C ATOM 322 CD LYS A 29 13.464 4.586 4.007 1.00 0.00 C ATOM 323 CE LYS A 29 14.082 5.570 4.986 1.00 0.00 C ATOM 324 NZ LYS A 29 14.203 4.999 6.354 1.00 0.00 N ATOM 0 H LYS A 29 10.219 2.162 1.523 1.00 0.00 H new ATOM 0 HA LYS A 29 9.963 4.755 2.547 1.00 0.00 H new ATOM 0 HB2 LYS A 29 10.582 2.764 3.845 1.00 0.00 H new ATOM 0 HB3 LYS A 29 12.097 2.635 2.973 1.00 0.00 H new ATOM 0 HG2 LYS A 29 11.459 5.143 4.529 1.00 0.00 H new ATOM 0 HG3 LYS A 29 12.045 3.715 5.359 1.00 0.00 H new ATOM 0 HD2 LYS A 29 14.069 3.680 3.969 1.00 0.00 H new ATOM 0 HD3 LYS A 29 13.470 5.016 3.005 1.00 0.00 H new ATOM 0 HE2 LYS A 29 15.069 5.865 4.628 1.00 0.00 H new ATOM 0 HE3 LYS A 29 13.473 6.474 5.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 14.720 5.664 6.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 13.254 4.836 6.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 14.719 4.097 6.309 1.00 0.00 H new ATOM 338 N VAL A 30 12.531 4.357 0.556 1.00 0.00 N ATOM 339 CA VAL A 30 13.520 5.076 -0.232 1.00 0.00 C ATOM 340 C VAL A 30 12.845 5.998 -1.233 1.00 0.00 C ATOM 341 O VAL A 30 13.324 7.095 -1.519 1.00 0.00 O ATOM 342 CB VAL A 30 14.446 4.094 -0.954 1.00 0.00 C ATOM 343 CG1 VAL A 30 15.478 4.824 -1.802 1.00 0.00 C ATOM 344 CG2 VAL A 30 15.110 3.197 0.072 1.00 0.00 C ATOM 0 H VAL A 30 12.486 3.357 0.361 1.00 0.00 H new ATOM 0 HA VAL A 30 14.118 5.685 0.446 1.00 0.00 H new ATOM 0 HB VAL A 30 13.856 3.483 -1.637 1.00 0.00 H new ATOM 0 HG11 VAL A 30 16.119 4.097 -2.301 1.00 0.00 H new ATOM 0 HG12 VAL A 30 14.970 5.433 -2.550 1.00 0.00 H new ATOM 0 HG13 VAL A 30 16.085 5.466 -1.164 1.00 0.00 H new ATOM 0 HG21 VAL A 30 15.772 2.494 -0.434 1.00 0.00 H new ATOM 0 HG22 VAL A 30 15.689 3.805 0.767 1.00 0.00 H new ATOM 0 HG23 VAL A 30 14.347 2.646 0.622 1.00 0.00 H new ATOM 354 N TYR A 31 11.716 5.549 -1.734 1.00 0.00 N ATOM 355 CA TYR A 31 10.894 6.339 -2.627 1.00 0.00 C ATOM 356 C TYR A 31 10.409 7.592 -1.905 1.00 0.00 C ATOM 357 O TYR A 31 10.366 8.685 -2.479 1.00 0.00 O ATOM 358 CB TYR A 31 9.714 5.492 -3.096 1.00 0.00 C ATOM 359 CG TYR A 31 8.719 6.241 -3.941 1.00 0.00 C ATOM 360 CD1 TYR A 31 8.950 6.454 -5.287 1.00 0.00 C ATOM 361 CD2 TYR A 31 7.548 6.739 -3.388 1.00 0.00 C ATOM 362 CE1 TYR A 31 8.043 7.142 -6.062 1.00 0.00 C ATOM 363 CE2 TYR A 31 6.635 7.426 -4.155 1.00 0.00 C ATOM 364 CZ TYR A 31 6.886 7.628 -5.493 1.00 0.00 C ATOM 365 OH TYR A 31 5.975 8.316 -6.267 1.00 0.00 O ATOM 0 H TYR A 31 11.340 4.622 -1.534 1.00 0.00 H new ATOM 0 HA TYR A 31 11.475 6.649 -3.496 1.00 0.00 H new ATOM 0 HB2 TYR A 31 10.093 4.644 -3.666 1.00 0.00 H new ATOM 0 HB3 TYR A 31 9.202 5.087 -2.223 1.00 0.00 H new ATOM 0 HD1 TYR A 31 9.855 6.075 -5.738 1.00 0.00 H new ATOM 0 HD2 TYR A 31 7.350 6.585 -2.338 1.00 0.00 H new ATOM 0 HE1 TYR A 31 8.238 7.300 -7.112 1.00 0.00 H new ATOM 0 HE2 TYR A 31 5.727 7.804 -3.710 1.00 0.00 H new ATOM 0 HH TYR A 31 5.215 8.589 -5.712 1.00 0.00 H new ATOM 375 N CYS A 32 10.067 7.424 -0.634 1.00 0.00 N ATOM 376 CA CYS A 32 9.612 8.534 0.195 1.00 0.00 C ATOM 377 C CYS A 32 10.759 9.464 0.555 1.00 0.00 C ATOM 378 O CYS A 32 10.556 10.643 0.817 1.00 0.00 O ATOM 379 CB CYS A 32 8.950 8.012 1.466 1.00 0.00 C ATOM 380 SG CYS A 32 7.448 7.064 1.169 1.00 0.00 S ATOM 0 H CYS A 32 10.096 6.525 -0.152 1.00 0.00 H new ATOM 0 HA CYS A 32 8.883 9.101 -0.383 1.00 0.00 H new ATOM 0 HB2 CYS A 32 9.662 7.387 2.005 1.00 0.00 H new ATOM 0 HB3 CYS A 32 8.713 8.856 2.114 1.00 0.00 H new ATOM 0 HG CYS A 32 7.434 6.649 -0.063 1.00 0.00 H new ATOM 386 N ALA A 33 11.962 8.934 0.562 1.00 0.00 N ATOM 387 CA ALA A 33 13.136 9.726 0.867 1.00 0.00 C ATOM 388 C ALA A 33 13.566 10.524 -0.360 1.00 0.00 C ATOM 389 O ALA A 33 13.964 11.682 -0.259 1.00 0.00 O ATOM 390 CB ALA A 33 14.255 8.819 1.347 1.00 0.00 C ATOM 0 H ALA A 33 12.155 7.953 0.359 1.00 0.00 H new ATOM 0 HA ALA A 33 12.899 10.433 1.662 1.00 0.00 H new ATOM 0 HB1 ALA A 33 15.136 9.418 1.575 1.00 0.00 H new ATOM 0 HB2 ALA A 33 13.934 8.289 2.244 1.00 0.00 H new ATOM 0 HB3 ALA A 33 14.499 8.098 0.567 1.00 0.00 H new ATOM 396 N LYS A 34 13.444 9.896 -1.519 1.00 0.00 N ATOM 397 CA LYS A 34 13.870 10.493 -2.774 1.00 0.00 C ATOM 398 C LYS A 34 12.874 11.537 -3.274 1.00 0.00 C ATOM 399 O LYS A 34 13.267 12.556 -3.840 1.00 0.00 O ATOM 400 CB LYS A 34 14.069 9.388 -3.813 1.00 0.00 C ATOM 401 CG LYS A 34 14.589 9.876 -5.151 1.00 0.00 C ATOM 402 CD LYS A 34 14.974 8.704 -6.040 1.00 0.00 C ATOM 403 CE LYS A 34 15.476 9.164 -7.398 1.00 0.00 C ATOM 404 NZ LYS A 34 16.095 8.046 -8.159 1.00 0.00 N ATOM 0 H LYS A 34 13.048 8.961 -1.616 1.00 0.00 H new ATOM 0 HA LYS A 34 14.813 11.013 -2.608 1.00 0.00 H new ATOM 0 HB2 LYS A 34 14.765 8.650 -3.413 1.00 0.00 H new ATOM 0 HB3 LYS A 34 13.119 8.878 -3.970 1.00 0.00 H new ATOM 0 HG2 LYS A 34 13.826 10.478 -5.645 1.00 0.00 H new ATOM 0 HG3 LYS A 34 15.454 10.521 -4.997 1.00 0.00 H new ATOM 0 HD2 LYS A 34 15.747 8.114 -5.548 1.00 0.00 H new ATOM 0 HD3 LYS A 34 14.111 8.051 -6.174 1.00 0.00 H new ATOM 0 HE2 LYS A 34 14.648 9.581 -7.971 1.00 0.00 H new ATOM 0 HE3 LYS A 34 16.206 9.963 -7.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 16.427 8.395 -9.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 16.901 7.665 -7.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 15.391 7.295 -8.306 1.00 0.00 H new ATOM 418 N ASN A 35 11.591 11.288 -3.064 1.00 0.00 N ATOM 419 CA ASN A 35 10.565 12.241 -3.475 1.00 0.00 C ATOM 420 C ASN A 35 10.194 13.140 -2.316 1.00 0.00 C ATOM 421 O ASN A 35 9.358 14.037 -2.450 1.00 0.00 O ATOM 422 CB ASN A 35 9.315 11.516 -3.972 1.00 0.00 C ATOM 423 CG ASN A 35 9.546 10.769 -5.270 1.00 0.00 C ATOM 424 OD1 ASN A 35 9.314 11.295 -6.359 1.00 0.00 O ATOM 425 ND2 ASN A 35 9.998 9.532 -5.163 1.00 0.00 N ATOM 0 H ASN A 35 11.235 10.444 -2.616 1.00 0.00 H new ATOM 0 HA ASN A 35 10.971 12.842 -4.289 1.00 0.00 H new ATOM 0 HB2 ASN A 35 8.980 10.814 -3.209 1.00 0.00 H new ATOM 0 HB3 ASN A 35 8.512 12.240 -4.113 1.00 0.00 H new ATOM 0 HD21 ASN A 35 10.167 8.977 -6.002 1.00 0.00 H new ATOM 0 HD22 ASN A 35 10.178 9.133 -4.242 1.00 0.00 H new ATOM 432 N ASN A 36 10.833 12.888 -1.174 1.00 0.00 N ATOM 433 CA ASN A 36 10.513 13.581 0.072 1.00 0.00 C ATOM 434 C ASN A 36 9.041 13.388 0.439 1.00 0.00 C ATOM 435 O ASN A 36 8.444 14.209 1.137 1.00 0.00 O ATOM 436 CB ASN A 36 10.848 15.071 -0.038 1.00 0.00 C ATOM 437 CG ASN A 36 12.346 15.349 -0.117 1.00 0.00 C ATOM 438 OD1 ASN A 36 12.919 15.396 -1.205 1.00 0.00 O ATOM 439 ND2 ASN A 36 12.992 15.540 1.027 1.00 0.00 N ATOM 0 H ASN A 36 11.583 12.202 -1.087 1.00 0.00 H new ATOM 0 HA ASN A 36 11.122 13.149 0.866 1.00 0.00 H new ATOM 0 HB2 ASN A 36 10.362 15.481 -0.924 1.00 0.00 H new ATOM 0 HB3 ASN A 36 10.433 15.594 0.824 1.00 0.00 H new ATOM 0 HD21 ASN A 36 13.994 15.733 1.021 1.00 0.00 H new ATOM 0 HD22 ASN A 36 12.487 15.494 1.912 1.00 0.00 H new ATOM 446 N LEU A 37 8.469 12.289 -0.043 1.00 0.00 N ATOM 447 CA LEU A 37 7.084 11.940 0.236 1.00 0.00 C ATOM 448 C LEU A 37 6.929 11.393 1.643 1.00 0.00 C ATOM 449 O LEU A 37 7.907 11.040 2.303 1.00 0.00 O ATOM 450 CB LEU A 37 6.595 10.892 -0.763 1.00 0.00 C ATOM 451 CG LEU A 37 5.557 11.379 -1.773 1.00 0.00 C ATOM 452 CD1 LEU A 37 6.094 12.546 -2.583 1.00 0.00 C ATOM 453 CD2 LEU A 37 5.139 10.239 -2.686 1.00 0.00 C ATOM 0 H LEU A 37 8.954 11.617 -0.638 1.00 0.00 H new ATOM 0 HA LEU A 37 6.488 12.848 0.144 1.00 0.00 H new ATOM 0 HB2 LEU A 37 7.456 10.507 -1.310 1.00 0.00 H new ATOM 0 HB3 LEU A 37 6.171 10.056 -0.207 1.00 0.00 H new ATOM 0 HG LEU A 37 4.681 11.727 -1.226 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.336 12.874 -3.295 1.00 0.00 H new ATOM 0 HD12 LEU A 37 6.344 13.369 -1.914 1.00 0.00 H new ATOM 0 HD13 LEU A 37 6.988 12.233 -3.123 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.399 10.598 -3.401 1.00 0.00 H new ATOM 0 HD22 LEU A 37 6.011 9.864 -3.223 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.707 9.435 -2.090 1.00 0.00 H new ATOM 465 N GLN A 38 5.691 11.329 2.095 1.00 0.00 N ATOM 466 CA GLN A 38 5.382 10.715 3.368 1.00 0.00 C ATOM 467 C GLN A 38 5.143 9.231 3.168 1.00 0.00 C ATOM 468 O GLN A 38 4.474 8.845 2.208 1.00 0.00 O ATOM 469 CB GLN A 38 4.152 11.353 4.010 1.00 0.00 C ATOM 470 CG GLN A 38 4.358 12.803 4.397 1.00 0.00 C ATOM 471 CD GLN A 38 3.121 13.410 5.038 1.00 0.00 C ATOM 472 OE1 GLN A 38 2.275 13.981 4.354 1.00 0.00 O ATOM 473 NE2 GLN A 38 3.002 13.282 6.351 1.00 0.00 N ATOM 0 H GLN A 38 4.881 11.697 1.596 1.00 0.00 H new ATOM 0 HA GLN A 38 6.229 10.869 4.036 1.00 0.00 H new ATOM 0 HB2 GLN A 38 3.313 11.285 3.317 1.00 0.00 H new ATOM 0 HB3 GLN A 38 3.878 10.783 4.898 1.00 0.00 H new ATOM 0 HG2 GLN A 38 5.197 12.876 5.090 1.00 0.00 H new ATOM 0 HG3 GLN A 38 4.625 13.379 3.511 1.00 0.00 H new ATOM 0 HE21 GLN A 38 3.726 12.801 6.884 1.00 0.00 H new ATOM 0 HE22 GLN A 38 2.186 13.665 6.829 1.00 0.00 H new ATOM 482 N LEU A 39 5.709 8.412 4.040 1.00 0.00 N ATOM 483 CA LEU A 39 5.526 6.962 3.978 1.00 0.00 C ATOM 484 C LEU A 39 4.053 6.611 3.783 1.00 0.00 C ATOM 485 O LEU A 39 3.694 5.866 2.872 1.00 0.00 O ATOM 486 CB LEU A 39 6.048 6.298 5.256 1.00 0.00 C ATOM 487 CG LEU A 39 7.101 5.198 5.053 1.00 0.00 C ATOM 488 CD1 LEU A 39 6.659 4.209 3.989 1.00 0.00 C ATOM 489 CD2 LEU A 39 8.450 5.798 4.695 1.00 0.00 C ATOM 0 H LEU A 39 6.304 8.725 4.807 1.00 0.00 H new ATOM 0 HA LEU A 39 6.094 6.589 3.126 1.00 0.00 H new ATOM 0 HB2 LEU A 39 6.475 7.070 5.896 1.00 0.00 H new ATOM 0 HB3 LEU A 39 5.201 5.870 5.793 1.00 0.00 H new ATOM 0 HG LEU A 39 7.205 4.660 5.995 1.00 0.00 H new ATOM 0 HD11 LEU A 39 7.423 3.441 3.866 1.00 0.00 H new ATOM 0 HD12 LEU A 39 5.722 3.743 4.293 1.00 0.00 H new ATOM 0 HD13 LEU A 39 6.515 4.732 3.044 1.00 0.00 H new ATOM 0 HD21 LEU A 39 9.178 4.999 4.556 1.00 0.00 H new ATOM 0 HD22 LEU A 39 8.360 6.371 3.772 1.00 0.00 H new ATOM 0 HD23 LEU A 39 8.781 6.455 5.499 1.00 0.00 H new ATOM 501 N THR A 40 3.209 7.186 4.624 1.00 0.00 N ATOM 502 CA THR A 40 1.782 6.939 4.572 1.00 0.00 C ATOM 503 C THR A 40 1.191 7.359 3.232 1.00 0.00 C ATOM 504 O THR A 40 0.474 6.584 2.598 1.00 0.00 O ATOM 505 CB THR A 40 1.065 7.692 5.700 1.00 0.00 C ATOM 506 OG1 THR A 40 1.810 7.558 6.916 1.00 0.00 O ATOM 507 CG2 THR A 40 -0.345 7.163 5.899 1.00 0.00 C ATOM 0 H THR A 40 3.495 7.834 5.358 1.00 0.00 H new ATOM 0 HA THR A 40 1.634 5.866 4.696 1.00 0.00 H new ATOM 0 HB THR A 40 0.998 8.744 5.424 1.00 0.00 H new ATOM 0 HG1 THR A 40 1.352 8.041 7.635 1.00 0.00 H new ATOM 0 HG21 THR A 40 -0.830 7.714 6.704 1.00 0.00 H new ATOM 0 HG22 THR A 40 -0.914 7.290 4.978 1.00 0.00 H new ATOM 0 HG23 THR A 40 -0.304 6.105 6.157 1.00 0.00 H new ATOM 515 N GLN A 41 1.510 8.578 2.802 1.00 0.00 N ATOM 516 CA GLN A 41 1.011 9.098 1.538 1.00 0.00 C ATOM 517 C GLN A 41 1.372 8.157 0.393 1.00 0.00 C ATOM 518 O GLN A 41 0.579 7.939 -0.519 1.00 0.00 O ATOM 519 CB GLN A 41 1.597 10.485 1.282 1.00 0.00 C ATOM 520 CG GLN A 41 0.946 11.221 0.121 1.00 0.00 C ATOM 521 CD GLN A 41 1.588 12.567 -0.147 1.00 0.00 C ATOM 522 OE1 GLN A 41 1.193 13.579 0.427 1.00 0.00 O ATOM 523 NE2 GLN A 41 2.578 12.590 -1.028 1.00 0.00 N ATOM 0 H GLN A 41 2.113 9.222 3.314 1.00 0.00 H new ATOM 0 HA GLN A 41 -0.075 9.173 1.594 1.00 0.00 H new ATOM 0 HB2 GLN A 41 1.493 11.086 2.185 1.00 0.00 H new ATOM 0 HB3 GLN A 41 2.665 10.388 1.086 1.00 0.00 H new ATOM 0 HG2 GLN A 41 1.011 10.606 -0.777 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -0.113 11.364 0.334 1.00 0.00 H new ATOM 0 HE21 GLN A 41 2.876 11.727 -1.483 1.00 0.00 H new ATOM 0 HE22 GLN A 41 3.042 13.471 -1.251 1.00 0.00 H new ATOM 532 N ALA A 42 2.569 7.589 0.467 1.00 0.00 N ATOM 533 CA ALA A 42 3.045 6.656 -0.544 1.00 0.00 C ATOM 534 C ALA A 42 2.246 5.364 -0.518 1.00 0.00 C ATOM 535 O ALA A 42 1.849 4.861 -1.563 1.00 0.00 O ATOM 536 CB ALA A 42 4.510 6.367 -0.331 1.00 0.00 C ATOM 0 H ALA A 42 3.232 7.761 1.223 1.00 0.00 H new ATOM 0 HA ALA A 42 2.909 7.116 -1.523 1.00 0.00 H new ATOM 0 HB1 ALA A 42 4.857 5.668 -1.092 1.00 0.00 H new ATOM 0 HB2 ALA A 42 5.078 7.294 -0.404 1.00 0.00 H new ATOM 0 HB3 ALA A 42 4.655 5.929 0.657 1.00 0.00 H new ATOM 542 N ILE A 43 2.018 4.827 0.678 1.00 0.00 N ATOM 543 CA ILE A 43 1.187 3.636 0.829 1.00 0.00 C ATOM 544 C ILE A 43 -0.202 3.879 0.253 1.00 0.00 C ATOM 545 O ILE A 43 -0.731 3.052 -0.483 1.00 0.00 O ATOM 546 CB ILE A 43 1.059 3.204 2.313 1.00 0.00 C ATOM 547 CG1 ILE A 43 2.136 2.179 2.675 1.00 0.00 C ATOM 548 CG2 ILE A 43 -0.329 2.650 2.600 1.00 0.00 C ATOM 549 CD1 ILE A 43 3.544 2.726 2.624 1.00 0.00 C ATOM 0 H ILE A 43 2.394 5.195 1.552 1.00 0.00 H new ATOM 0 HA ILE A 43 1.678 2.832 0.281 1.00 0.00 H new ATOM 0 HB ILE A 43 1.206 4.087 2.935 1.00 0.00 H new ATOM 0 HG12 ILE A 43 1.940 1.800 3.678 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.061 1.332 1.993 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -0.393 2.354 3.647 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -1.076 3.416 2.393 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.513 1.783 1.966 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.250 1.940 2.893 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.761 3.079 1.616 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.638 3.554 3.326 1.00 0.00 H new ATOM 561 N GLU A 44 -0.776 5.018 0.597 1.00 0.00 N ATOM 562 CA GLU A 44 -2.115 5.374 0.147 1.00 0.00 C ATOM 563 C GLU A 44 -2.168 5.493 -1.372 1.00 0.00 C ATOM 564 O GLU A 44 -3.105 5.014 -2.001 1.00 0.00 O ATOM 565 CB GLU A 44 -2.566 6.680 0.798 1.00 0.00 C ATOM 566 CG GLU A 44 -2.634 6.618 2.315 1.00 0.00 C ATOM 567 CD GLU A 44 -3.069 7.928 2.938 1.00 0.00 C ATOM 568 OE1 GLU A 44 -2.209 8.802 3.171 1.00 0.00 O ATOM 569 OE2 GLU A 44 -4.279 8.091 3.196 1.00 0.00 O ATOM 0 H GLU A 44 -0.334 5.719 1.191 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.796 4.578 0.449 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -1.881 7.476 0.507 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -3.549 6.948 0.410 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -3.329 5.832 2.611 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -1.655 6.342 2.707 1.00 0.00 H new ATOM 576 N GLU A 45 -1.161 6.132 -1.952 1.00 0.00 N ATOM 577 CA GLU A 45 -1.031 6.196 -3.402 1.00 0.00 C ATOM 578 C GLU A 45 -0.838 4.797 -3.969 1.00 0.00 C ATOM 579 O GLU A 45 -1.387 4.455 -5.015 1.00 0.00 O ATOM 580 CB GLU A 45 0.158 7.077 -3.794 1.00 0.00 C ATOM 581 CG GLU A 45 -0.044 8.560 -3.531 1.00 0.00 C ATOM 582 CD GLU A 45 -0.978 9.212 -4.528 1.00 0.00 C ATOM 583 OE1 GLU A 45 -0.526 9.549 -5.644 1.00 0.00 O ATOM 584 OE2 GLU A 45 -2.170 9.403 -4.200 1.00 0.00 O ATOM 0 H GLU A 45 -0.422 6.614 -1.441 1.00 0.00 H new ATOM 0 HA GLU A 45 -1.943 6.630 -3.812 1.00 0.00 H new ATOM 0 HB2 GLU A 45 1.039 6.741 -3.248 1.00 0.00 H new ATOM 0 HB3 GLU A 45 0.366 6.934 -4.854 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -0.442 8.695 -2.525 1.00 0.00 H new ATOM 0 HG3 GLU A 45 0.922 9.064 -3.562 1.00 0.00 H new ATOM 591 N ALA A 46 -0.065 3.989 -3.251 1.00 0.00 N ATOM 592 CA ALA A 46 0.226 2.631 -3.667 1.00 0.00 C ATOM 593 C ALA A 46 -1.041 1.808 -3.735 1.00 0.00 C ATOM 594 O ALA A 46 -1.368 1.228 -4.766 1.00 0.00 O ATOM 595 CB ALA A 46 1.217 1.985 -2.709 1.00 0.00 C ATOM 0 H ALA A 46 0.373 4.259 -2.370 1.00 0.00 H new ATOM 0 HA ALA A 46 0.669 2.667 -4.662 1.00 0.00 H new ATOM 0 HB1 ALA A 46 1.426 0.966 -3.034 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.143 2.560 -2.701 1.00 0.00 H new ATOM 0 HB3 ALA A 46 0.793 1.966 -1.705 1.00 0.00 H new ATOM 601 N ILE A 47 -1.759 1.785 -2.628 1.00 0.00 N ATOM 602 CA ILE A 47 -2.958 1.004 -2.507 1.00 0.00 C ATOM 603 C ILE A 47 -4.085 1.579 -3.368 1.00 0.00 C ATOM 604 O ILE A 47 -4.998 0.862 -3.776 1.00 0.00 O ATOM 605 CB ILE A 47 -3.373 0.918 -1.026 1.00 0.00 C ATOM 606 CG1 ILE A 47 -4.543 -0.038 -0.845 1.00 0.00 C ATOM 607 CG2 ILE A 47 -3.704 2.292 -0.474 1.00 0.00 C ATOM 608 CD1 ILE A 47 -4.861 -0.316 0.602 1.00 0.00 C ATOM 0 H ILE A 47 -1.519 2.312 -1.789 1.00 0.00 H new ATOM 0 HA ILE A 47 -2.759 -0.003 -2.874 1.00 0.00 H new ATOM 0 HB ILE A 47 -2.527 0.525 -0.462 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -5.425 0.380 -1.331 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -4.318 -0.978 -1.348 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -3.994 2.203 0.573 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -2.829 2.937 -0.555 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -4.527 2.724 -1.043 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -5.704 -1.004 0.664 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -3.992 -0.762 1.086 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -5.117 0.617 1.104 1.00 0.00 H new ATOM 620 N LYS A 48 -3.999 2.869 -3.669 1.00 0.00 N ATOM 621 CA LYS A 48 -4.975 3.519 -4.530 1.00 0.00 C ATOM 622 C LYS A 48 -4.783 3.063 -5.972 1.00 0.00 C ATOM 623 O LYS A 48 -5.685 2.472 -6.571 1.00 0.00 O ATOM 624 CB LYS A 48 -4.827 5.038 -4.430 1.00 0.00 C ATOM 625 CG LYS A 48 -5.751 5.836 -5.343 1.00 0.00 C ATOM 626 CD LYS A 48 -7.158 5.996 -4.776 1.00 0.00 C ATOM 627 CE LYS A 48 -7.980 4.722 -4.889 1.00 0.00 C ATOM 628 NZ LYS A 48 -9.410 4.963 -4.569 1.00 0.00 N ATOM 0 H LYS A 48 -3.261 3.485 -3.328 1.00 0.00 H new ATOM 0 HA LYS A 48 -5.978 3.241 -4.206 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.011 5.339 -3.399 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -3.795 5.304 -4.660 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -5.320 6.822 -5.514 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -5.810 5.341 -6.313 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -7.093 6.291 -3.729 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.669 6.802 -5.303 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -7.895 4.322 -5.899 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -7.578 3.968 -4.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -9.940 4.073 -4.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -9.492 5.321 -3.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -9.800 5.664 -5.230 1.00 0.00 H new ATOM 642 N GLU A 49 -3.597 3.332 -6.518 1.00 0.00 N ATOM 643 CA GLU A 49 -3.229 2.882 -7.849 1.00 0.00 C ATOM 644 C GLU A 49 -3.350 1.373 -7.984 1.00 0.00 C ATOM 645 O GLU A 49 -3.494 0.850 -9.083 1.00 0.00 O ATOM 646 CB GLU A 49 -1.800 3.323 -8.168 1.00 0.00 C ATOM 647 CG GLU A 49 -1.717 4.666 -8.874 1.00 0.00 C ATOM 648 CD GLU A 49 -2.344 5.803 -8.101 1.00 0.00 C ATOM 649 OE1 GLU A 49 -3.582 5.952 -8.164 1.00 0.00 O ATOM 650 OE2 GLU A 49 -1.597 6.574 -7.467 1.00 0.00 O ATOM 0 H GLU A 49 -2.869 3.868 -6.046 1.00 0.00 H new ATOM 0 HA GLU A 49 -3.920 3.335 -8.560 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -1.230 3.375 -7.240 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -1.326 2.565 -8.792 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -0.670 4.902 -9.063 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -2.206 4.586 -9.845 1.00 0.00 H new ATOM 657 N TYR A 50 -3.320 0.687 -6.859 1.00 0.00 N ATOM 658 CA TYR A 50 -3.381 -0.750 -6.834 1.00 0.00 C ATOM 659 C TYR A 50 -4.762 -1.232 -7.226 1.00 0.00 C ATOM 660 O TYR A 50 -4.904 -2.064 -8.116 1.00 0.00 O ATOM 661 CB TYR A 50 -3.017 -1.250 -5.446 1.00 0.00 C ATOM 662 CG TYR A 50 -3.162 -2.730 -5.277 1.00 0.00 C ATOM 663 CD1 TYR A 50 -2.354 -3.601 -5.979 1.00 0.00 C ATOM 664 CD2 TYR A 50 -4.092 -3.249 -4.396 1.00 0.00 C ATOM 665 CE1 TYR A 50 -2.467 -4.961 -5.815 1.00 0.00 C ATOM 666 CE2 TYR A 50 -4.219 -4.613 -4.220 1.00 0.00 C ATOM 667 CZ TYR A 50 -3.401 -5.467 -4.934 1.00 0.00 C ATOM 668 OH TYR A 50 -3.521 -6.828 -4.772 1.00 0.00 O ATOM 0 H TYR A 50 -3.252 1.117 -5.937 1.00 0.00 H new ATOM 0 HA TYR A 50 -2.668 -1.148 -7.556 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -1.987 -0.969 -5.228 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -3.647 -0.747 -4.713 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -1.621 -3.208 -6.668 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -4.728 -2.579 -3.837 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -1.828 -5.630 -6.373 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -4.951 -5.008 -3.531 1.00 0.00 H new ATOM 0 HH TYR A 50 -4.457 -7.054 -4.590 1.00 0.00 H new ATOM 678 N LEU A 51 -5.778 -0.696 -6.564 1.00 0.00 N ATOM 679 CA LEU A 51 -7.152 -1.057 -6.873 1.00 0.00 C ATOM 680 C LEU A 51 -7.483 -0.760 -8.324 1.00 0.00 C ATOM 681 O LEU A 51 -8.190 -1.524 -8.970 1.00 0.00 O ATOM 682 CB LEU A 51 -8.145 -0.331 -5.965 1.00 0.00 C ATOM 683 CG LEU A 51 -8.508 -1.047 -4.659 1.00 0.00 C ATOM 684 CD1 LEU A 51 -8.159 -2.529 -4.720 1.00 0.00 C ATOM 685 CD2 LEU A 51 -7.845 -0.367 -3.467 1.00 0.00 C ATOM 0 H LEU A 51 -5.676 -0.013 -5.813 1.00 0.00 H new ATOM 0 HA LEU A 51 -7.242 -2.129 -6.698 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -7.733 0.647 -5.718 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -9.062 -0.157 -6.528 1.00 0.00 H new ATOM 0 HG LEU A 51 -9.588 -0.976 -4.527 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -8.430 -3.006 -3.778 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -8.709 -2.999 -5.535 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -7.089 -2.644 -4.890 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -8.117 -0.892 -2.551 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -6.762 -0.390 -3.591 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -8.181 0.668 -3.405 1.00 0.00 H new ATOM 697 N GLN A 52 -6.951 0.334 -8.843 1.00 0.00 N ATOM 698 CA GLN A 52 -7.234 0.711 -10.223 1.00 0.00 C ATOM 699 C GLN A 52 -6.432 -0.133 -11.206 1.00 0.00 C ATOM 700 O GLN A 52 -6.924 -0.473 -12.283 1.00 0.00 O ATOM 701 CB GLN A 52 -6.977 2.200 -10.472 1.00 0.00 C ATOM 702 CG GLN A 52 -8.105 3.107 -9.999 1.00 0.00 C ATOM 703 CD GLN A 52 -8.077 3.382 -8.512 1.00 0.00 C ATOM 704 OE1 GLN A 52 -8.640 2.633 -7.714 1.00 0.00 O ATOM 705 NE2 GLN A 52 -7.450 4.481 -8.134 1.00 0.00 N ATOM 0 H GLN A 52 -6.330 0.969 -8.342 1.00 0.00 H new ATOM 0 HA GLN A 52 -8.294 0.520 -10.388 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -6.055 2.489 -9.967 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -6.819 2.358 -11.539 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -8.048 4.054 -10.536 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -9.060 2.650 -10.258 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -6.996 5.074 -8.829 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -7.419 4.737 -7.147 1.00 0.00 H new ATOM 844 N ALA B 14 8.195 -6.853 8.833 1.00 0.00 N ATOM 845 CA ALA B 14 8.280 -5.638 9.619 1.00 0.00 C ATOM 846 C ALA B 14 6.872 -5.183 9.966 1.00 0.00 C ATOM 847 O ALA B 14 5.901 -5.770 9.500 1.00 0.00 O ATOM 848 CB ALA B 14 9.009 -4.563 8.832 1.00 0.00 C ATOM 0 HA ALA B 14 8.837 -5.824 10.537 1.00 0.00 H new ATOM 0 HB1 ALA B 14 9.069 -3.653 9.429 1.00 0.00 H new ATOM 0 HB2 ALA B 14 10.015 -4.907 8.592 1.00 0.00 H new ATOM 0 HB3 ALA B 14 8.467 -4.357 7.909 1.00 0.00 H new ATOM 854 N VAL B 15 6.752 -4.148 10.775 1.00 0.00 N ATOM 855 CA VAL B 15 5.439 -3.640 11.143 1.00 0.00 C ATOM 856 C VAL B 15 5.260 -2.240 10.587 1.00 0.00 C ATOM 857 O VAL B 15 6.240 -1.553 10.284 1.00 0.00 O ATOM 858 CB VAL B 15 5.230 -3.588 12.668 1.00 0.00 C ATOM 859 CG1 VAL B 15 3.748 -3.623 13.019 1.00 0.00 C ATOM 860 CG2 VAL B 15 5.981 -4.710 13.363 1.00 0.00 C ATOM 0 H VAL B 15 7.537 -3.645 11.188 1.00 0.00 H new ATOM 0 HA VAL B 15 4.705 -4.328 10.723 1.00 0.00 H new ATOM 0 HB VAL B 15 5.637 -2.643 13.027 1.00 0.00 H new ATOM 0 HG11 VAL B 15 3.630 -3.585 14.102 1.00 0.00 H new ATOM 0 HG12 VAL B 15 3.247 -2.766 12.569 1.00 0.00 H new ATOM 0 HG13 VAL B 15 3.305 -4.543 12.638 1.00 0.00 H new ATOM 0 HG21 VAL B 15 5.815 -4.648 14.438 1.00 0.00 H new ATOM 0 HG22 VAL B 15 5.621 -5.671 12.995 1.00 0.00 H new ATOM 0 HG23 VAL B 15 7.047 -4.618 13.155 1.00 0.00 H new ATOM 870 N PHE B 16 4.020 -1.814 10.468 1.00 0.00 N ATOM 871 CA PHE B 16 3.719 -0.513 9.908 1.00 0.00 C ATOM 872 C PHE B 16 2.453 0.033 10.547 1.00 0.00 C ATOM 873 O PHE B 16 1.409 -0.613 10.503 1.00 0.00 O ATOM 874 CB PHE B 16 3.548 -0.634 8.394 1.00 0.00 C ATOM 875 CG PHE B 16 3.828 0.634 7.640 1.00 0.00 C ATOM 876 CD1 PHE B 16 4.945 1.396 7.938 1.00 0.00 C ATOM 877 CD2 PHE B 16 2.986 1.054 6.624 1.00 0.00 C ATOM 878 CE1 PHE B 16 5.218 2.554 7.239 1.00 0.00 C ATOM 879 CE2 PHE B 16 3.257 2.210 5.920 1.00 0.00 C ATOM 880 CZ PHE B 16 4.372 2.961 6.229 1.00 0.00 C ATOM 0 H PHE B 16 3.201 -2.352 10.753 1.00 0.00 H new ATOM 0 HA PHE B 16 4.539 0.175 10.112 1.00 0.00 H new ATOM 0 HB2 PHE B 16 4.212 -1.416 8.026 1.00 0.00 H new ATOM 0 HB3 PHE B 16 2.528 -0.954 8.179 1.00 0.00 H new ATOM 0 HD1 PHE B 16 5.611 1.080 8.727 1.00 0.00 H new ATOM 0 HD2 PHE B 16 2.110 0.472 6.380 1.00 0.00 H new ATOM 0 HE1 PHE B 16 6.092 3.140 7.482 1.00 0.00 H new ATOM 0 HE2 PHE B 16 2.596 2.527 5.127 1.00 0.00 H new ATOM 0 HZ PHE B 16 4.582 3.867 5.680 1.00 0.00 H new ATOM 890 N GLY B 17 2.560 1.200 11.169 1.00 0.00 N ATOM 891 CA GLY B 17 1.414 1.807 11.816 1.00 0.00 C ATOM 892 C GLY B 17 1.198 3.227 11.350 1.00 0.00 C ATOM 893 O GLY B 17 1.779 4.161 11.900 1.00 0.00 O ATOM 0 H GLY B 17 3.424 1.738 11.237 1.00 0.00 H new ATOM 0 HA2 GLY B 17 0.522 1.216 11.607 1.00 0.00 H new ATOM 0 HA3 GLY B 17 1.558 1.796 12.896 1.00 0.00 H new ATOM 897 N ILE B 18 0.362 3.391 10.336 1.00 0.00 N ATOM 898 CA ILE B 18 0.169 4.691 9.713 1.00 0.00 C ATOM 899 C ILE B 18 -1.286 5.125 9.759 1.00 0.00 C ATOM 900 O ILE B 18 -2.175 4.326 10.062 1.00 0.00 O ATOM 901 CB ILE B 18 0.632 4.678 8.248 1.00 0.00 C ATOM 902 CG1 ILE B 18 -0.074 3.563 7.471 1.00 0.00 C ATOM 903 CG2 ILE B 18 2.136 4.504 8.193 1.00 0.00 C ATOM 904 CD1 ILE B 18 0.100 3.661 5.975 1.00 0.00 C ATOM 0 H ILE B 18 -0.194 2.640 9.927 1.00 0.00 H new ATOM 0 HA ILE B 18 0.771 5.400 10.282 1.00 0.00 H new ATOM 0 HB ILE B 18 0.370 5.628 7.782 1.00 0.00 H new ATOM 0 HG12 ILE B 18 0.307 2.599 7.810 1.00 0.00 H new ATOM 0 HG13 ILE B 18 -1.138 3.586 7.706 1.00 0.00 H new ATOM 0 HG21 ILE B 18 2.463 4.495 7.153 1.00 0.00 H new ATOM 0 HG22 ILE B 18 2.617 5.329 8.718 1.00 0.00 H new ATOM 0 HG23 ILE B 18 2.411 3.562 8.668 1.00 0.00 H new ATOM 0 HD11 ILE B 18 -0.428 2.838 5.493 1.00 0.00 H new ATOM 0 HD12 ILE B 18 -0.307 4.609 5.623 1.00 0.00 H new ATOM 0 HD13 ILE B 18 1.160 3.607 5.728 1.00 0.00 H new ATOM 916 N TYR B 19 -1.520 6.395 9.457 1.00 0.00 N ATOM 917 CA TYR B 19 -2.867 6.927 9.403 1.00 0.00 C ATOM 918 C TYR B 19 -3.268 7.186 7.959 1.00 0.00 C ATOM 919 O TYR B 19 -2.994 8.254 7.409 1.00 0.00 O ATOM 920 CB TYR B 19 -2.981 8.222 10.206 1.00 0.00 C ATOM 921 CG TYR B 19 -2.640 8.074 11.668 1.00 0.00 C ATOM 922 CD1 TYR B 19 -3.440 7.322 12.515 1.00 0.00 C ATOM 923 CD2 TYR B 19 -1.524 8.702 12.204 1.00 0.00 C ATOM 924 CE1 TYR B 19 -3.137 7.199 13.856 1.00 0.00 C ATOM 925 CE2 TYR B 19 -1.210 8.581 13.542 1.00 0.00 C ATOM 926 CZ TYR B 19 -2.021 7.830 14.365 1.00 0.00 C ATOM 927 OH TYR B 19 -1.716 7.712 15.701 1.00 0.00 O ATOM 0 H TYR B 19 -0.789 7.075 9.246 1.00 0.00 H new ATOM 0 HA TYR B 19 -3.538 6.188 9.842 1.00 0.00 H new ATOM 0 HB2 TYR B 19 -2.322 8.970 9.764 1.00 0.00 H new ATOM 0 HB3 TYR B 19 -3.999 8.603 10.118 1.00 0.00 H new ATOM 0 HD1 TYR B 19 -4.313 6.825 12.119 1.00 0.00 H new ATOM 0 HD2 TYR B 19 -0.890 9.296 11.562 1.00 0.00 H new ATOM 0 HE1 TYR B 19 -3.771 6.611 14.504 1.00 0.00 H new ATOM 0 HE2 TYR B 19 -0.335 9.071 13.942 1.00 0.00 H new ATOM 0 HH TYR B 19 -0.898 8.216 15.896 1.00 0.00 H new ATOM 937 N MET B 20 -3.915 6.210 7.356 1.00 0.00 N ATOM 938 CA MET B 20 -4.328 6.299 5.956 1.00 0.00 C ATOM 939 C MET B 20 -5.832 6.515 5.869 1.00 0.00 C ATOM 940 O MET B 20 -6.547 6.222 6.826 1.00 0.00 O ATOM 941 CB MET B 20 -3.923 5.026 5.194 1.00 0.00 C ATOM 942 CG MET B 20 -4.584 3.755 5.705 1.00 0.00 C ATOM 943 SD MET B 20 -3.891 2.264 4.956 1.00 0.00 S ATOM 944 CE MET B 20 -4.390 2.460 3.247 1.00 0.00 C ATOM 0 H MET B 20 -4.172 5.335 7.812 1.00 0.00 H new ATOM 0 HA MET B 20 -3.824 7.149 5.495 1.00 0.00 H new ATOM 0 HB2 MET B 20 -4.171 5.153 4.140 1.00 0.00 H new ATOM 0 HB3 MET B 20 -2.841 4.909 5.255 1.00 0.00 H new ATOM 0 HG2 MET B 20 -4.470 3.700 6.788 1.00 0.00 H new ATOM 0 HG3 MET B 20 -5.653 3.798 5.499 1.00 0.00 H new ATOM 0 HE1 MET B 20 -4.896 1.555 2.910 1.00 0.00 H new ATOM 0 HE2 MET B 20 -5.068 3.309 3.161 1.00 0.00 H new ATOM 0 HE3 MET B 20 -3.510 2.635 2.629 1.00 0.00 H new ATOM 954 N ASP B 21 -6.314 7.039 4.739 1.00 0.00 N ATOM 955 CA ASP B 21 -7.736 7.298 4.575 1.00 0.00 C ATOM 956 C ASP B 21 -8.545 6.027 4.745 1.00 0.00 C ATOM 957 O ASP B 21 -8.067 4.925 4.465 1.00 0.00 O ATOM 958 CB ASP B 21 -8.070 7.905 3.211 1.00 0.00 C ATOM 959 CG ASP B 21 -7.929 9.413 3.175 1.00 0.00 C ATOM 960 OD1 ASP B 21 -8.797 10.099 3.750 1.00 0.00 O ATOM 961 OD2 ASP B 21 -6.980 9.920 2.542 1.00 0.00 O ATOM 0 H ASP B 21 -5.741 7.289 3.933 1.00 0.00 H new ATOM 0 HA ASP B 21 -7.998 8.018 5.350 1.00 0.00 H new ATOM 0 HB2 ASP B 21 -7.416 7.468 2.457 1.00 0.00 H new ATOM 0 HB3 ASP B 21 -9.091 7.636 2.942 1.00 0.00 H new ATOM 966 N LYS B 22 -9.781 6.189 5.172 1.00 0.00 N ATOM 967 CA LYS B 22 -10.651 5.066 5.423 1.00 0.00 C ATOM 968 C LYS B 22 -11.201 4.539 4.116 1.00 0.00 C ATOM 969 O LYS B 22 -10.927 3.417 3.739 1.00 0.00 O ATOM 970 CB LYS B 22 -11.805 5.483 6.332 1.00 0.00 C ATOM 971 CG LYS B 22 -12.837 4.391 6.526 1.00 0.00 C ATOM 972 CD LYS B 22 -14.071 4.909 7.239 1.00 0.00 C ATOM 973 CE LYS B 22 -15.117 3.821 7.402 1.00 0.00 C ATOM 974 NZ LYS B 22 -16.413 4.371 7.874 1.00 0.00 N ATOM 0 H LYS B 22 -10.206 7.099 5.353 1.00 0.00 H new ATOM 0 HA LYS B 22 -10.076 4.282 5.916 1.00 0.00 H new ATOM 0 HB2 LYS B 22 -11.406 5.774 7.304 1.00 0.00 H new ATOM 0 HB3 LYS B 22 -12.291 6.363 5.911 1.00 0.00 H new ATOM 0 HG2 LYS B 22 -13.121 3.982 5.556 1.00 0.00 H new ATOM 0 HG3 LYS B 22 -12.400 3.575 7.101 1.00 0.00 H new ATOM 0 HD2 LYS B 22 -13.791 5.296 8.219 1.00 0.00 H new ATOM 0 HD3 LYS B 22 -14.495 5.741 6.677 1.00 0.00 H new ATOM 0 HE2 LYS B 22 -15.263 3.311 6.450 1.00 0.00 H new ATOM 0 HE3 LYS B 22 -14.758 3.075 8.111 1.00 0.00 H new ATOM 0 HZ1 LYS B 22 -17.102 3.599 7.974 1.00 0.00 H new ATOM 0 HZ2 LYS B 22 -16.278 4.836 8.795 1.00 0.00 H new ATOM 0 HZ3 LYS B 22 -16.767 5.065 7.185 1.00 0.00 H new ATOM 988 N ASP B 23 -11.939 5.392 3.426 1.00 0.00 N ATOM 989 CA ASP B 23 -12.613 5.045 2.173 1.00 0.00 C ATOM 990 C ASP B 23 -11.688 4.307 1.196 1.00 0.00 C ATOM 991 O ASP B 23 -12.110 3.390 0.494 1.00 0.00 O ATOM 992 CB ASP B 23 -13.156 6.334 1.545 1.00 0.00 C ATOM 993 CG ASP B 23 -13.517 6.199 0.081 1.00 0.00 C ATOM 994 OD1 ASP B 23 -14.573 5.611 -0.231 1.00 0.00 O ATOM 995 OD2 ASP B 23 -12.755 6.714 -0.762 1.00 0.00 O ATOM 0 H ASP B 23 -12.093 6.357 3.718 1.00 0.00 H new ATOM 0 HA ASP B 23 -13.430 4.357 2.393 1.00 0.00 H new ATOM 0 HB2 ASP B 23 -14.039 6.652 2.099 1.00 0.00 H new ATOM 0 HB3 ASP B 23 -12.410 7.122 1.654 1.00 0.00 H new ATOM 1000 N LEU B 24 -10.423 4.691 1.193 1.00 0.00 N ATOM 1001 CA LEU B 24 -9.424 4.106 0.318 1.00 0.00 C ATOM 1002 C LEU B 24 -8.970 2.741 0.859 1.00 0.00 C ATOM 1003 O LEU B 24 -9.013 1.738 0.144 1.00 0.00 O ATOM 1004 CB LEU B 24 -8.278 5.125 0.202 1.00 0.00 C ATOM 1005 CG LEU B 24 -6.952 4.673 -0.408 1.00 0.00 C ATOM 1006 CD1 LEU B 24 -6.095 4.065 0.679 1.00 0.00 C ATOM 1007 CD2 LEU B 24 -7.164 3.699 -1.563 1.00 0.00 C ATOM 0 H LEU B 24 -10.059 5.423 1.803 1.00 0.00 H new ATOM 0 HA LEU B 24 -9.822 3.905 -0.677 1.00 0.00 H new ATOM 0 HB2 LEU B 24 -8.643 5.967 -0.387 1.00 0.00 H new ATOM 0 HB3 LEU B 24 -8.069 5.503 1.203 1.00 0.00 H new ATOM 0 HG LEU B 24 -6.440 5.539 -0.828 1.00 0.00 H new ATOM 0 HD11 LEU B 24 -5.146 3.739 0.254 1.00 0.00 H new ATOM 0 HD12 LEU B 24 -5.909 4.808 1.454 1.00 0.00 H new ATOM 0 HD13 LEU B 24 -6.611 3.209 1.113 1.00 0.00 H new ATOM 0 HD21 LEU B 24 -6.198 3.401 -1.970 1.00 0.00 H new ATOM 0 HD22 LEU B 24 -7.693 2.817 -1.203 1.00 0.00 H new ATOM 0 HD23 LEU B 24 -7.753 4.182 -2.343 1.00 0.00 H new ATOM 1019 N LYS B 25 -8.560 2.703 2.124 1.00 0.00 N ATOM 1020 CA LYS B 25 -8.154 1.459 2.768 1.00 0.00 C ATOM 1021 C LYS B 25 -9.325 0.480 2.795 1.00 0.00 C ATOM 1022 O LYS B 25 -9.154 -0.730 2.691 1.00 0.00 O ATOM 1023 CB LYS B 25 -7.710 1.751 4.197 1.00 0.00 C ATOM 1024 CG LYS B 25 -7.034 0.581 4.881 1.00 0.00 C ATOM 1025 CD LYS B 25 -6.804 0.868 6.355 1.00 0.00 C ATOM 1026 CE LYS B 25 -8.009 0.488 7.210 1.00 0.00 C ATOM 1027 NZ LYS B 25 -9.227 1.274 6.874 1.00 0.00 N ATOM 0 H LYS B 25 -8.500 3.525 2.725 1.00 0.00 H new ATOM 0 HA LYS B 25 -7.330 1.018 2.207 1.00 0.00 H new ATOM 0 HB2 LYS B 25 -7.025 2.599 4.188 1.00 0.00 H new ATOM 0 HB3 LYS B 25 -8.579 2.049 4.783 1.00 0.00 H new ATOM 0 HG2 LYS B 25 -7.649 -0.312 4.773 1.00 0.00 H new ATOM 0 HG3 LYS B 25 -6.081 0.373 4.395 1.00 0.00 H new ATOM 0 HD2 LYS B 25 -5.928 0.317 6.699 1.00 0.00 H new ATOM 0 HD3 LYS B 25 -6.586 1.928 6.488 1.00 0.00 H new ATOM 0 HE2 LYS B 25 -8.220 -0.573 7.080 1.00 0.00 H new ATOM 0 HE3 LYS B 25 -7.764 0.638 8.261 1.00 0.00 H new ATOM 0 HZ1 LYS B 25 -9.881 1.263 7.683 1.00 0.00 H new ATOM 0 HZ2 LYS B 25 -8.958 2.255 6.659 1.00 0.00 H new ATOM 0 HZ3 LYS B 25 -9.694 0.853 6.045 1.00 0.00 H new ATOM 1041 N THR B 26 -10.513 1.042 2.928 1.00 0.00 N ATOM 1042 CA THR B 26 -11.747 0.276 3.033 1.00 0.00 C ATOM 1043 C THR B 26 -12.149 -0.293 1.676 1.00 0.00 C ATOM 1044 O THR B 26 -12.696 -1.392 1.588 1.00 0.00 O ATOM 1045 CB THR B 26 -12.873 1.152 3.628 1.00 0.00 C ATOM 1046 OG1 THR B 26 -12.584 1.421 5.009 1.00 0.00 O ATOM 1047 CG2 THR B 26 -14.238 0.486 3.511 1.00 0.00 C ATOM 0 H THR B 26 -10.652 2.052 2.967 1.00 0.00 H new ATOM 0 HA THR B 26 -11.578 -0.564 3.706 1.00 0.00 H new ATOM 0 HB THR B 26 -12.911 2.081 3.059 1.00 0.00 H new ATOM 0 HG1 THR B 26 -11.933 2.150 5.071 1.00 0.00 H new ATOM 0 HG21 THR B 26 -14.999 1.137 3.942 1.00 0.00 H new ATOM 0 HG22 THR B 26 -14.466 0.307 2.460 1.00 0.00 H new ATOM 0 HG23 THR B 26 -14.227 -0.463 4.047 1.00 0.00 H new ATOM 1055 N ARG B 27 -11.849 0.450 0.624 1.00 0.00 N ATOM 1056 CA ARG B 27 -12.016 -0.043 -0.735 1.00 0.00 C ATOM 1057 C ARG B 27 -11.215 -1.331 -0.915 1.00 0.00 C ATOM 1058 O ARG B 27 -11.737 -2.353 -1.363 1.00 0.00 O ATOM 1059 CB ARG B 27 -11.546 1.025 -1.728 1.00 0.00 C ATOM 1060 CG ARG B 27 -11.214 0.489 -3.109 1.00 0.00 C ATOM 1061 CD ARG B 27 -12.445 -0.031 -3.845 1.00 0.00 C ATOM 1062 NE ARG B 27 -13.391 1.041 -4.164 1.00 0.00 N ATOM 1063 CZ ARG B 27 -14.460 0.891 -4.943 1.00 0.00 C ATOM 1064 NH1 ARG B 27 -14.718 -0.274 -5.525 1.00 0.00 N ATOM 1065 NH2 ARG B 27 -15.262 1.926 -5.157 1.00 0.00 N ATOM 0 H ARG B 27 -11.487 1.402 0.685 1.00 0.00 H new ATOM 0 HA ARG B 27 -13.068 -0.257 -0.922 1.00 0.00 H new ATOM 0 HB2 ARG B 27 -12.323 1.784 -1.822 1.00 0.00 H new ATOM 0 HB3 ARG B 27 -10.664 1.520 -1.321 1.00 0.00 H new ATOM 0 HG2 ARG B 27 -10.748 1.278 -3.699 1.00 0.00 H new ATOM 0 HG3 ARG B 27 -10.483 -0.314 -3.017 1.00 0.00 H new ATOM 0 HD2 ARG B 27 -12.134 -0.525 -4.765 1.00 0.00 H new ATOM 0 HD3 ARG B 27 -12.943 -0.782 -3.232 1.00 0.00 H new ATOM 0 HE ARG B 27 -13.219 1.963 -3.763 1.00 0.00 H new ATOM 0 HH11 ARG B 27 -14.094 -1.067 -5.377 1.00 0.00 H new ATOM 0 HH12 ARG B 27 -15.540 -0.376 -6.120 1.00 0.00 H new ATOM 0 HH21 ARG B 27 -15.057 2.828 -4.726 1.00 0.00 H new ATOM 0 HH22 ARG B 27 -16.083 1.820 -5.753 1.00 0.00 H new ATOM 1079 N LEU B 28 -9.946 -1.258 -0.555 1.00 0.00 N ATOM 1080 CA LEU B 28 -9.054 -2.408 -0.584 1.00 0.00 C ATOM 1081 C LEU B 28 -9.548 -3.512 0.358 1.00 0.00 C ATOM 1082 O LEU B 28 -9.430 -4.694 0.047 1.00 0.00 O ATOM 1083 CB LEU B 28 -7.646 -1.942 -0.207 1.00 0.00 C ATOM 1084 CG LEU B 28 -6.506 -2.944 -0.365 1.00 0.00 C ATOM 1085 CD1 LEU B 28 -6.479 -3.899 0.803 1.00 0.00 C ATOM 1086 CD2 LEU B 28 -6.622 -3.691 -1.680 1.00 0.00 C ATOM 0 H LEU B 28 -9.502 -0.398 -0.233 1.00 0.00 H new ATOM 0 HA LEU B 28 -9.037 -2.834 -1.587 1.00 0.00 H new ATOM 0 HB2 LEU B 28 -7.409 -1.065 -0.810 1.00 0.00 H new ATOM 0 HB3 LEU B 28 -7.667 -1.617 0.833 1.00 0.00 H new ATOM 0 HG LEU B 28 -5.564 -2.396 -0.377 1.00 0.00 H new ATOM 0 HD11 LEU B 28 -5.660 -4.607 0.675 1.00 0.00 H new ATOM 0 HD12 LEU B 28 -6.334 -3.340 1.727 1.00 0.00 H new ATOM 0 HD13 LEU B 28 -7.423 -4.441 0.852 1.00 0.00 H new ATOM 0 HD21 LEU B 28 -5.798 -4.399 -1.770 1.00 0.00 H new ATOM 0 HD22 LEU B 28 -7.569 -4.230 -1.710 1.00 0.00 H new ATOM 0 HD23 LEU B 28 -6.582 -2.981 -2.506 1.00 0.00 H new ATOM 1098 N LYS B 29 -10.098 -3.123 1.503 1.00 0.00 N ATOM 1099 CA LYS B 29 -10.663 -4.081 2.453 1.00 0.00 C ATOM 1100 C LYS B 29 -11.710 -4.959 1.769 1.00 0.00 C ATOM 1101 O LYS B 29 -11.786 -6.164 2.012 1.00 0.00 O ATOM 1102 CB LYS B 29 -11.256 -3.331 3.661 1.00 0.00 C ATOM 1103 CG LYS B 29 -11.900 -4.213 4.726 1.00 0.00 C ATOM 1104 CD LYS B 29 -13.338 -4.569 4.378 1.00 0.00 C ATOM 1105 CE LYS B 29 -13.926 -5.559 5.370 1.00 0.00 C ATOM 1106 NZ LYS B 29 -14.012 -4.991 6.742 1.00 0.00 N ATOM 0 H LYS B 29 -10.166 -2.149 1.798 1.00 0.00 H new ATOM 0 HA LYS B 29 -9.872 -4.737 2.815 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -10.464 -2.746 4.128 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -12.003 -2.625 3.298 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -11.318 -5.127 4.840 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -11.876 -3.698 5.686 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -13.944 -3.663 4.364 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -13.376 -4.993 3.375 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -14.921 -5.857 5.038 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -13.313 -6.460 5.389 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -14.525 -5.652 7.360 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -13.053 -4.841 7.116 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -14.518 -4.083 6.711 1.00 0.00 H new ATOM 1120 N VAL B 30 -12.497 -4.348 0.899 1.00 0.00 N ATOM 1121 CA VAL B 30 -13.508 -5.069 0.139 1.00 0.00 C ATOM 1122 C VAL B 30 -12.860 -5.991 -0.879 1.00 0.00 C ATOM 1123 O VAL B 30 -13.339 -7.094 -1.146 1.00 0.00 O ATOM 1124 CB VAL B 30 -14.455 -4.087 -0.559 1.00 0.00 C ATOM 1125 CG1 VAL B 30 -15.507 -4.818 -1.377 1.00 0.00 C ATOM 1126 CG2 VAL B 30 -15.093 -3.191 0.484 1.00 0.00 C ATOM 0 H VAL B 30 -12.455 -3.348 0.700 1.00 0.00 H new ATOM 0 HA VAL B 30 -14.087 -5.678 0.834 1.00 0.00 H new ATOM 0 HB VAL B 30 -13.884 -3.475 -1.257 1.00 0.00 H new ATOM 0 HG11 VAL B 30 -16.162 -4.092 -1.859 1.00 0.00 H new ATOM 0 HG12 VAL B 30 -15.018 -5.427 -2.138 1.00 0.00 H new ATOM 0 HG13 VAL B 30 -16.096 -5.460 -0.722 1.00 0.00 H new ATOM 0 HG21 VAL B 30 -15.769 -2.489 -0.004 1.00 0.00 H new ATOM 0 HG22 VAL B 30 -15.653 -3.800 1.193 1.00 0.00 H new ATOM 0 HG23 VAL B 30 -14.316 -2.639 1.014 1.00 0.00 H new ATOM 1136 N TYR B 31 -11.747 -5.540 -1.413 1.00 0.00 N ATOM 1137 CA TYR B 31 -10.950 -6.331 -2.326 1.00 0.00 C ATOM 1138 C TYR B 31 -10.448 -7.583 -1.617 1.00 0.00 C ATOM 1139 O TYR B 31 -10.431 -8.678 -2.187 1.00 0.00 O ATOM 1140 CB TYR B 31 -9.783 -5.488 -2.830 1.00 0.00 C ATOM 1141 CG TYR B 31 -8.810 -6.240 -3.699 1.00 0.00 C ATOM 1142 CD1 TYR B 31 -9.075 -6.451 -5.038 1.00 0.00 C ATOM 1143 CD2 TYR B 31 -7.623 -6.734 -3.177 1.00 0.00 C ATOM 1144 CE1 TYR B 31 -8.190 -7.135 -5.838 1.00 0.00 C ATOM 1145 CE2 TYR B 31 -6.729 -7.418 -3.972 1.00 0.00 C ATOM 1146 CZ TYR B 31 -7.014 -7.617 -5.305 1.00 0.00 C ATOM 1147 OH TYR B 31 -6.121 -8.291 -6.109 1.00 0.00 O ATOM 0 H TYR B 31 -11.367 -4.612 -1.226 1.00 0.00 H new ATOM 0 HA TYR B 31 -11.555 -6.640 -3.178 1.00 0.00 H new ATOM 0 HB2 TYR B 31 -10.177 -4.642 -3.393 1.00 0.00 H new ATOM 0 HB3 TYR B 31 -9.247 -5.080 -1.973 1.00 0.00 H new ATOM 0 HD1 TYR B 31 -9.993 -6.073 -5.464 1.00 0.00 H new ATOM 0 HD2 TYR B 31 -7.396 -6.580 -2.132 1.00 0.00 H new ATOM 0 HE1 TYR B 31 -8.416 -7.294 -6.882 1.00 0.00 H new ATOM 0 HE2 TYR B 31 -5.809 -7.796 -3.552 1.00 0.00 H new ATOM 0 HH TYR B 31 -5.343 -8.563 -5.578 1.00 0.00 H new ATOM 1157 N CYS B 32 -10.067 -7.414 -0.357 1.00 0.00 N ATOM 1158 CA CYS B 32 -9.587 -8.522 0.459 1.00 0.00 C ATOM 1159 C CYS B 32 -10.725 -9.453 0.848 1.00 0.00 C ATOM 1160 O CYS B 32 -10.517 -10.635 1.093 1.00 0.00 O ATOM 1161 CB CYS B 32 -8.890 -7.999 1.712 1.00 0.00 C ATOM 1162 SG CYS B 32 -7.395 -7.052 1.369 1.00 0.00 S ATOM 0 H CYS B 32 -10.081 -6.515 0.124 1.00 0.00 H new ATOM 0 HA CYS B 32 -8.871 -9.088 -0.137 1.00 0.00 H new ATOM 0 HB2 CYS B 32 -9.586 -7.372 2.269 1.00 0.00 H new ATOM 0 HB3 CYS B 32 -8.636 -8.842 2.354 1.00 0.00 H new ATOM 0 HG CYS B 32 -7.518 -6.447 0.225 1.00 0.00 H new ATOM 1168 N ALA B 33 -11.927 -8.921 0.891 1.00 0.00 N ATOM 1169 CA ALA B 33 -13.094 -9.713 1.227 1.00 0.00 C ATOM 1170 C ALA B 33 -13.557 -10.512 0.015 1.00 0.00 C ATOM 1171 O ALA B 33 -13.957 -11.671 0.125 1.00 0.00 O ATOM 1172 CB ALA B 33 -14.201 -8.807 1.739 1.00 0.00 C ATOM 0 H ALA B 33 -12.124 -7.939 0.697 1.00 0.00 H new ATOM 0 HA ALA B 33 -12.834 -10.419 2.015 1.00 0.00 H new ATOM 0 HB1 ALA B 33 -15.076 -9.407 1.990 1.00 0.00 H new ATOM 0 HB2 ALA B 33 -13.857 -8.278 2.628 1.00 0.00 H new ATOM 0 HB3 ALA B 33 -14.466 -8.085 0.967 1.00 0.00 H new ATOM 1178 N LYS B 34 -13.466 -9.886 -1.147 1.00 0.00 N ATOM 1179 CA LYS B 34 -13.924 -10.484 -2.388 1.00 0.00 C ATOM 1180 C LYS B 34 -12.940 -11.527 -2.911 1.00 0.00 C ATOM 1181 O LYS B 34 -13.345 -12.552 -3.458 1.00 0.00 O ATOM 1182 CB LYS B 34 -14.152 -9.381 -3.423 1.00 0.00 C ATOM 1183 CG LYS B 34 -14.708 -9.870 -4.743 1.00 0.00 C ATOM 1184 CD LYS B 34 -15.122 -8.703 -5.622 1.00 0.00 C ATOM 1185 CE LYS B 34 -15.662 -9.168 -6.960 1.00 0.00 C ATOM 1186 NZ LYS B 34 -16.302 -8.058 -7.711 1.00 0.00 N ATOM 0 H LYS B 34 -13.073 -8.951 -1.255 1.00 0.00 H new ATOM 0 HA LYS B 34 -14.863 -11.004 -2.198 1.00 0.00 H new ATOM 0 HB2 LYS B 34 -14.836 -8.643 -3.005 1.00 0.00 H new ATOM 0 HB3 LYS B 34 -13.207 -8.871 -3.607 1.00 0.00 H new ATOM 0 HG2 LYS B 34 -13.958 -10.470 -5.258 1.00 0.00 H new ATOM 0 HG3 LYS B 34 -15.566 -10.518 -4.563 1.00 0.00 H new ATOM 0 HD2 LYS B 34 -15.882 -8.113 -5.109 1.00 0.00 H new ATOM 0 HD3 LYS B 34 -14.266 -8.048 -5.784 1.00 0.00 H new ATOM 0 HE2 LYS B 34 -14.850 -9.588 -7.554 1.00 0.00 H new ATOM 0 HE3 LYS B 34 -16.387 -9.966 -6.802 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 -16.659 -8.415 -8.620 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 -17.093 -7.673 -7.155 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 -15.603 -7.307 -7.884 1.00 0.00 H new ATOM 1200 N ASN B 35 -11.652 -11.273 -2.741 1.00 0.00 N ATOM 1201 CA ASN B 35 -10.636 -12.226 -3.177 1.00 0.00 C ATOM 1202 C ASN B 35 -10.227 -13.122 -2.028 1.00 0.00 C ATOM 1203 O ASN B 35 -9.384 -14.006 -2.189 1.00 0.00 O ATOM 1204 CB ASN B 35 -9.402 -11.504 -3.714 1.00 0.00 C ATOM 1205 CG ASN B 35 -9.669 -10.764 -5.010 1.00 0.00 C ATOM 1206 OD1 ASN B 35 -9.474 -11.300 -6.100 1.00 0.00 O ATOM 1207 ND2 ASN B 35 -10.118 -9.525 -4.899 1.00 0.00 N ATOM 0 H ASN B 35 -11.285 -10.425 -2.309 1.00 0.00 H new ATOM 0 HA ASN B 35 -11.068 -12.829 -3.975 1.00 0.00 H new ATOM 0 HB2 ASN B 35 -9.046 -10.797 -2.965 1.00 0.00 H new ATOM 0 HB3 ASN B 35 -8.604 -12.229 -3.873 1.00 0.00 H new ATOM 0 HD21 ASN B 35 -10.316 -8.977 -5.736 1.00 0.00 H new ATOM 0 HD22 ASN B 35 -10.266 -9.117 -3.976 1.00 0.00 H new ATOM 1214 N ASN B 36 -10.839 -12.877 -0.868 1.00 0.00 N ATOM 1215 CA ASN B 36 -10.486 -13.572 0.371 1.00 0.00 C ATOM 1216 C ASN B 36 -9.004 -13.377 0.701 1.00 0.00 C ATOM 1217 O ASN B 36 -8.392 -14.187 1.400 1.00 0.00 O ATOM 1218 CB ASN B 36 -10.824 -15.062 0.271 1.00 0.00 C ATOM 1219 CG ASN B 36 -12.326 -15.336 0.235 1.00 0.00 C ATOM 1220 OD1 ASN B 36 -12.929 -15.389 -0.838 1.00 0.00 O ATOM 1221 ND2 ASN B 36 -12.945 -15.524 1.396 1.00 0.00 N ATOM 0 H ASN B 36 -11.590 -12.195 -0.761 1.00 0.00 H new ATOM 0 HA ASN B 36 -11.075 -13.141 1.181 1.00 0.00 H new ATOM 0 HB2 ASN B 36 -10.364 -15.473 -0.628 1.00 0.00 H new ATOM 0 HB3 ASN B 36 -10.386 -15.585 1.121 1.00 0.00 H new ATOM 0 HD21 ASN B 36 -13.946 -15.718 1.415 1.00 0.00 H new ATOM 0 HD22 ASN B 36 -12.419 -15.474 2.268 1.00 0.00 H new ATOM 1228 N LEU B 37 -8.444 -12.279 0.197 1.00 0.00 N ATOM 1229 CA LEU B 37 -7.054 -11.927 0.440 1.00 0.00 C ATOM 1230 C LEU B 37 -6.864 -11.376 1.841 1.00 0.00 C ATOM 1231 O LEU B 37 -7.825 -11.013 2.520 1.00 0.00 O ATOM 1232 CB LEU B 37 -6.592 -10.879 -0.573 1.00 0.00 C ATOM 1233 CG LEU B 37 -5.582 -11.366 -1.610 1.00 0.00 C ATOM 1234 CD1 LEU B 37 -6.144 -12.531 -2.406 1.00 0.00 C ATOM 1235 CD2 LEU B 37 -5.190 -10.224 -2.532 1.00 0.00 C ATOM 0 H LEU B 37 -8.944 -11.611 -0.390 1.00 0.00 H new ATOM 0 HA LEU B 37 -6.459 -12.834 0.335 1.00 0.00 H new ATOM 0 HB2 LEU B 37 -7.467 -10.495 -1.097 1.00 0.00 H new ATOM 0 HB3 LEU B 37 -6.153 -10.042 -0.029 1.00 0.00 H new ATOM 0 HG LEU B 37 -4.691 -11.716 -1.089 1.00 0.00 H new ATOM 0 HD11 LEU B 37 -5.407 -12.861 -3.138 1.00 0.00 H new ATOM 0 HD12 LEU B 37 -6.378 -13.354 -1.731 1.00 0.00 H new ATOM 0 HD13 LEU B 37 -7.051 -12.216 -2.921 1.00 0.00 H new ATOM 0 HD21 LEU B 37 -4.470 -10.581 -3.268 1.00 0.00 H new ATOM 0 HD22 LEU B 37 -6.076 -9.849 -3.044 1.00 0.00 H new ATOM 0 HD23 LEU B 37 -4.743 -9.421 -1.946 1.00 0.00 H new ATOM 1247 N GLN B 38 -5.614 -11.312 2.262 1.00 0.00 N ATOM 1248 CA GLN B 38 -5.274 -10.698 3.527 1.00 0.00 C ATOM 1249 C GLN B 38 -5.038 -9.213 3.320 1.00 0.00 C ATOM 1250 O GLN B 38 -4.392 -8.830 2.344 1.00 0.00 O ATOM 1251 CB GLN B 38 -4.027 -11.335 4.135 1.00 0.00 C ATOM 1252 CG GLN B 38 -4.218 -12.785 4.523 1.00 0.00 C ATOM 1253 CD GLN B 38 -2.962 -13.392 5.132 1.00 0.00 C ATOM 1254 OE1 GLN B 38 -2.132 -13.962 4.427 1.00 0.00 O ATOM 1255 NE2 GLN B 38 -2.812 -13.267 6.446 1.00 0.00 N ATOM 0 H GLN B 38 -4.817 -11.680 1.743 1.00 0.00 H new ATOM 0 HA GLN B 38 -6.104 -10.852 4.217 1.00 0.00 H new ATOM 0 HB2 GLN B 38 -3.207 -11.263 3.421 1.00 0.00 H new ATOM 0 HB3 GLN B 38 -3.732 -10.767 5.017 1.00 0.00 H new ATOM 0 HG2 GLN B 38 -5.039 -12.863 5.236 1.00 0.00 H new ATOM 0 HG3 GLN B 38 -4.506 -13.359 3.642 1.00 0.00 H new ATOM 0 HE21 GLN B 38 -3.523 -12.787 6.997 1.00 0.00 H new ATOM 0 HE22 GLN B 38 -1.985 -13.651 6.904 1.00 0.00 H new ATOM 1264 N LEU B 39 -5.583 -8.393 4.202 1.00 0.00 N ATOM 1265 CA LEU B 39 -5.398 -6.941 4.133 1.00 0.00 C ATOM 1266 C LEU B 39 -3.932 -6.592 3.897 1.00 0.00 C ATOM 1267 O LEU B 39 -3.597 -5.846 2.975 1.00 0.00 O ATOM 1268 CB LEU B 39 -5.886 -6.276 5.422 1.00 0.00 C ATOM 1269 CG LEU B 39 -6.944 -5.177 5.246 1.00 0.00 C ATOM 1270 CD1 LEU B 39 -6.532 -4.190 4.167 1.00 0.00 C ATOM 1271 CD2 LEU B 39 -8.302 -5.781 4.929 1.00 0.00 C ATOM 0 H LEU B 39 -6.162 -8.704 4.982 1.00 0.00 H new ATOM 0 HA LEU B 39 -5.987 -6.567 3.295 1.00 0.00 H new ATOM 0 HB2 LEU B 39 -6.295 -7.047 6.074 1.00 0.00 H new ATOM 0 HB3 LEU B 39 -5.026 -5.847 5.936 1.00 0.00 H new ATOM 0 HG LEU B 39 -7.022 -4.634 6.188 1.00 0.00 H new ATOM 0 HD11 LEU B 39 -7.299 -3.423 4.064 1.00 0.00 H new ATOM 0 HD12 LEU B 39 -5.587 -3.723 4.443 1.00 0.00 H new ATOM 0 HD13 LEU B 39 -6.414 -4.715 3.219 1.00 0.00 H new ATOM 0 HD21 LEU B 39 -9.036 -4.984 4.809 1.00 0.00 H new ATOM 0 HD22 LEU B 39 -8.237 -6.357 4.006 1.00 0.00 H new ATOM 0 HD23 LEU B 39 -8.608 -6.436 5.745 1.00 0.00 H new ATOM 1283 N THR B 40 -3.065 -7.165 4.715 1.00 0.00 N ATOM 1284 CA THR B 40 -1.640 -6.915 4.623 1.00 0.00 C ATOM 1285 C THR B 40 -1.087 -7.336 3.267 1.00 0.00 C ATOM 1286 O THR B 40 -0.393 -6.560 2.611 1.00 0.00 O ATOM 1287 CB THR B 40 -0.891 -7.667 5.730 1.00 0.00 C ATOM 1288 OG1 THR B 40 -1.598 -7.531 6.969 1.00 0.00 O ATOM 1289 CG2 THR B 40 0.525 -7.140 5.889 1.00 0.00 C ATOM 0 H THR B 40 -3.329 -7.813 5.457 1.00 0.00 H new ATOM 0 HA THR B 40 -1.490 -5.842 4.743 1.00 0.00 H new ATOM 0 HB THR B 40 -0.835 -8.719 5.451 1.00 0.00 H new ATOM 0 HG1 THR B 40 -1.118 -8.014 7.674 1.00 0.00 H new ATOM 0 HG21 THR B 40 1.032 -7.692 6.681 1.00 0.00 H new ATOM 0 HG22 THR B 40 1.068 -7.268 4.953 1.00 0.00 H new ATOM 0 HG23 THR B 40 0.492 -6.082 6.148 1.00 0.00 H new ATOM 1297 N GLN B 41 -1.416 -8.555 2.847 1.00 0.00 N ATOM 1298 CA GLN B 41 -0.952 -9.078 1.569 1.00 0.00 C ATOM 1299 C GLN B 41 -1.346 -8.138 0.433 1.00 0.00 C ATOM 1300 O GLN B 41 -0.580 -7.922 -0.501 1.00 0.00 O ATOM 1301 CB GLN B 41 -1.545 -10.465 1.332 1.00 0.00 C ATOM 1302 CG GLN B 41 -0.926 -11.202 0.155 1.00 0.00 C ATOM 1303 CD GLN B 41 -1.575 -12.548 -0.093 1.00 0.00 C ATOM 1304 OE1 GLN B 41 -1.165 -13.561 0.470 1.00 0.00 O ATOM 1305 NE2 GLN B 41 -2.588 -12.568 -0.943 1.00 0.00 N ATOM 0 H GLN B 41 -2.004 -9.199 3.376 1.00 0.00 H new ATOM 0 HA GLN B 41 0.135 -9.153 1.594 1.00 0.00 H new ATOM 0 HB2 GLN B 41 -1.416 -11.064 2.233 1.00 0.00 H new ATOM 0 HB3 GLN B 41 -2.618 -10.368 1.165 1.00 0.00 H new ATOM 0 HG2 GLN B 41 -1.016 -10.588 -0.741 1.00 0.00 H new ATOM 0 HG3 GLN B 41 0.139 -11.344 0.339 1.00 0.00 H new ATOM 0 HE21 GLN B 41 -2.897 -11.704 -1.389 1.00 0.00 H new ATOM 0 HE22 GLN B 41 -3.060 -13.447 -1.153 1.00 0.00 H new ATOM 1314 N ALA B 42 -2.539 -7.569 0.541 1.00 0.00 N ATOM 1315 CA ALA B 42 -3.044 -6.639 -0.459 1.00 0.00 C ATOM 1316 C ALA B 42 -2.243 -5.347 -0.458 1.00 0.00 C ATOM 1317 O ALA B 42 -1.871 -4.846 -1.514 1.00 0.00 O ATOM 1318 CB ALA B 42 -4.502 -6.349 -0.207 1.00 0.00 C ATOM 0 H ALA B 42 -3.179 -7.737 1.317 1.00 0.00 H new ATOM 0 HA ALA B 42 -2.937 -7.102 -1.440 1.00 0.00 H new ATOM 0 HB1 ALA B 42 -4.870 -5.652 -0.960 1.00 0.00 H new ATOM 0 HB2 ALA B 42 -5.072 -7.276 -0.261 1.00 0.00 H new ATOM 0 HB3 ALA B 42 -4.619 -5.908 0.783 1.00 0.00 H new ATOM 1324 N ILE B 43 -1.984 -4.807 0.732 1.00 0.00 N ATOM 1325 CA ILE B 43 -1.149 -3.617 0.861 1.00 0.00 C ATOM 1326 C ILE B 43 0.223 -3.861 0.250 1.00 0.00 C ATOM 1327 O ILE B 43 0.734 -3.035 -0.501 1.00 0.00 O ATOM 1328 CB ILE B 43 -0.983 -3.184 2.343 1.00 0.00 C ATOM 1329 CG1 ILE B 43 -2.050 -2.158 2.732 1.00 0.00 C ATOM 1330 CG2 ILE B 43 0.410 -2.626 2.590 1.00 0.00 C ATOM 1331 CD1 ILE B 43 -3.460 -2.704 2.719 1.00 0.00 C ATOM 0 H ILE B 43 -2.339 -5.173 1.615 1.00 0.00 H new ATOM 0 HA ILE B 43 -1.653 -2.813 0.325 1.00 0.00 H new ATOM 0 HB ILE B 43 -1.113 -4.067 2.969 1.00 0.00 H new ATOM 0 HG12 ILE B 43 -1.828 -1.778 3.729 1.00 0.00 H new ATOM 0 HG13 ILE B 43 -1.992 -1.312 2.048 1.00 0.00 H new ATOM 0 HG21 ILE B 43 0.503 -2.329 3.635 1.00 0.00 H new ATOM 0 HG22 ILE B 43 1.154 -3.390 2.362 1.00 0.00 H new ATOM 0 HG23 ILE B 43 0.573 -1.759 1.951 1.00 0.00 H new ATOM 0 HD11 ILE B 43 -4.158 -1.917 3.006 1.00 0.00 H new ATOM 0 HD12 ILE B 43 -3.704 -3.058 1.717 1.00 0.00 H new ATOM 0 HD13 ILE B 43 -3.536 -3.531 3.425 1.00 0.00 H new ATOM 1343 N GLU B 44 0.806 -5.000 0.578 1.00 0.00 N ATOM 1344 CA GLU B 44 2.133 -5.354 0.092 1.00 0.00 C ATOM 1345 C GLU B 44 2.144 -5.478 -1.427 1.00 0.00 C ATOM 1346 O GLU B 44 3.069 -5.010 -2.084 1.00 0.00 O ATOM 1347 CB GLU B 44 2.601 -6.658 0.730 1.00 0.00 C ATOM 1348 CG GLU B 44 2.710 -6.591 2.243 1.00 0.00 C ATOM 1349 CD GLU B 44 3.164 -7.900 2.850 1.00 0.00 C ATOM 1350 OE1 GLU B 44 2.316 -8.780 3.094 1.00 0.00 O ATOM 1351 OE2 GLU B 44 4.381 -8.056 3.072 1.00 0.00 O ATOM 0 H GLU B 44 0.380 -5.702 1.183 1.00 0.00 H new ATOM 0 HA GLU B 44 2.820 -4.556 0.374 1.00 0.00 H new ATOM 0 HB2 GLU B 44 1.908 -7.454 0.459 1.00 0.00 H new ATOM 0 HB3 GLU B 44 3.573 -6.927 0.316 1.00 0.00 H new ATOM 0 HG2 GLU B 44 3.412 -5.804 2.519 1.00 0.00 H new ATOM 0 HG3 GLU B 44 1.742 -6.316 2.662 1.00 0.00 H new ATOM 1358 N GLU B 45 1.122 -6.115 -1.980 1.00 0.00 N ATOM 1359 CA GLU B 45 0.953 -6.182 -3.426 1.00 0.00 C ATOM 1360 C GLU B 45 0.742 -4.784 -3.990 1.00 0.00 C ATOM 1361 O GLU B 45 1.264 -4.442 -5.051 1.00 0.00 O ATOM 1362 CB GLU B 45 -0.245 -7.064 -3.785 1.00 0.00 C ATOM 1363 CG GLU B 45 -0.040 -8.546 -3.519 1.00 0.00 C ATOM 1364 CD GLU B 45 0.860 -9.206 -4.539 1.00 0.00 C ATOM 1365 OE1 GLU B 45 0.355 -9.581 -5.618 1.00 0.00 O ATOM 1366 OE2 GLU B 45 2.067 -9.371 -4.262 1.00 0.00 O ATOM 0 H GLU B 45 0.395 -6.594 -1.449 1.00 0.00 H new ATOM 0 HA GLU B 45 1.854 -6.616 -3.859 1.00 0.00 H new ATOM 0 HB2 GLU B 45 -1.113 -6.723 -3.220 1.00 0.00 H new ATOM 0 HB3 GLU B 45 -0.478 -6.926 -4.841 1.00 0.00 H new ATOM 0 HG2 GLU B 45 0.388 -8.676 -2.525 1.00 0.00 H new ATOM 0 HG3 GLU B 45 -1.008 -9.047 -3.517 1.00 0.00 H new ATOM 1373 N ALA B 46 -0.012 -3.976 -3.254 1.00 0.00 N ATOM 1374 CA ALA B 46 -0.315 -2.618 -3.664 1.00 0.00 C ATOM 1375 C ALA B 46 0.950 -1.793 -3.766 1.00 0.00 C ATOM 1376 O ALA B 46 1.250 -1.215 -4.808 1.00 0.00 O ATOM 1377 CB ALA B 46 -1.278 -1.969 -2.678 1.00 0.00 C ATOM 0 H ALA B 46 -0.427 -4.245 -2.362 1.00 0.00 H new ATOM 0 HA ALA B 46 -0.785 -2.658 -4.647 1.00 0.00 H new ATOM 0 HB1 ALA B 46 -1.496 -0.950 -2.999 1.00 0.00 H new ATOM 0 HB2 ALA B 46 -2.203 -2.544 -2.641 1.00 0.00 H new ATOM 0 HB3 ALA B 46 -0.825 -1.948 -1.687 1.00 0.00 H new ATOM 1383 N ILE B 47 1.697 -1.767 -2.678 1.00 0.00 N ATOM 1384 CA ILE B 47 2.900 -0.987 -2.590 1.00 0.00 C ATOM 1385 C ILE B 47 4.004 -1.564 -3.480 1.00 0.00 C ATOM 1386 O ILE B 47 4.906 -0.849 -3.916 1.00 0.00 O ATOM 1387 CB ILE B 47 3.355 -0.899 -1.121 1.00 0.00 C ATOM 1388 CG1 ILE B 47 4.527 0.059 -0.971 1.00 0.00 C ATOM 1389 CG2 ILE B 47 3.704 -2.273 -0.575 1.00 0.00 C ATOM 1390 CD1 ILE B 47 4.885 0.337 0.467 1.00 0.00 C ATOM 0 H ILE B 47 1.478 -2.292 -1.831 1.00 0.00 H new ATOM 0 HA ILE B 47 2.691 0.019 -2.953 1.00 0.00 H new ATOM 0 HB ILE B 47 2.523 -0.507 -0.536 1.00 0.00 H new ATOM 0 HG12 ILE B 47 5.396 -0.357 -1.481 1.00 0.00 H new ATOM 0 HG13 ILE B 47 4.286 0.999 -1.467 1.00 0.00 H new ATOM 0 HG21 ILE B 47 4.022 -2.182 0.464 1.00 0.00 H new ATOM 0 HG22 ILE B 47 2.829 -2.920 -0.631 1.00 0.00 H new ATOM 0 HG23 ILE B 47 4.512 -2.705 -1.165 1.00 0.00 H new ATOM 0 HD11 ILE B 47 5.728 1.027 0.505 1.00 0.00 H new ATOM 0 HD12 ILE B 47 4.029 0.781 0.976 1.00 0.00 H new ATOM 0 HD13 ILE B 47 5.157 -0.596 0.961 1.00 0.00 H new ATOM 1402 N LYS B 48 3.910 -2.854 -3.776 1.00 0.00 N ATOM 1403 CA LYS B 48 4.861 -3.502 -4.663 1.00 0.00 C ATOM 1404 C LYS B 48 4.631 -3.048 -6.102 1.00 0.00 C ATOM 1405 O LYS B 48 5.516 -2.458 -6.727 1.00 0.00 O ATOM 1406 CB LYS B 48 4.715 -5.021 -4.560 1.00 0.00 C ATOM 1407 CG LYS B 48 5.614 -5.820 -5.499 1.00 0.00 C ATOM 1408 CD LYS B 48 7.037 -5.977 -4.971 1.00 0.00 C ATOM 1409 CE LYS B 48 7.858 -4.705 -5.111 1.00 0.00 C ATOM 1410 NZ LYS B 48 9.298 -4.944 -4.833 1.00 0.00 N ATOM 0 H LYS B 48 3.183 -3.471 -3.413 1.00 0.00 H new ATOM 0 HA LYS B 48 5.872 -3.222 -4.366 1.00 0.00 H new ATOM 0 HB2 LYS B 48 4.927 -5.323 -3.534 1.00 0.00 H new ATOM 0 HB3 LYS B 48 3.677 -5.286 -4.762 1.00 0.00 H new ATOM 0 HG2 LYS B 48 5.180 -6.807 -5.656 1.00 0.00 H new ATOM 0 HG3 LYS B 48 5.645 -5.327 -6.471 1.00 0.00 H new ATOM 0 HD2 LYS B 48 7.001 -6.267 -3.921 1.00 0.00 H new ATOM 0 HD3 LYS B 48 7.533 -6.786 -5.508 1.00 0.00 H new ATOM 0 HE2 LYS B 48 7.744 -4.308 -6.120 1.00 0.00 H new ATOM 0 HE3 LYS B 48 7.476 -3.949 -4.425 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 9.824 -4.053 -4.939 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 9.410 -5.299 -3.862 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 9.669 -5.647 -5.504 1.00 0.00 H new ATOM 1424 N GLU B 49 3.431 -3.317 -6.612 1.00 0.00 N ATOM 1425 CA GLU B 49 3.027 -2.872 -7.934 1.00 0.00 C ATOM 1426 C GLU B 49 3.140 -1.364 -8.078 1.00 0.00 C ATOM 1427 O GLU B 49 3.252 -0.845 -9.186 1.00 0.00 O ATOM 1428 CB GLU B 49 1.589 -3.318 -8.210 1.00 0.00 C ATOM 1429 CG GLU B 49 1.489 -4.662 -8.912 1.00 0.00 C ATOM 1430 CD GLU B 49 2.135 -5.804 -8.155 1.00 0.00 C ATOM 1431 OE1 GLU B 49 3.378 -5.931 -8.215 1.00 0.00 O ATOM 1432 OE2 GLU B 49 1.400 -6.599 -7.536 1.00 0.00 O ATOM 0 H GLU B 49 2.716 -3.849 -6.117 1.00 0.00 H new ATOM 0 HA GLU B 49 3.700 -3.325 -8.662 1.00 0.00 H new ATOM 0 HB2 GLU B 49 1.047 -3.370 -7.266 1.00 0.00 H new ATOM 0 HB3 GLU B 49 1.095 -2.562 -8.820 1.00 0.00 H new ATOM 0 HG2 GLU B 49 0.437 -4.897 -9.075 1.00 0.00 H new ATOM 0 HG3 GLU B 49 1.954 -4.582 -9.895 1.00 0.00 H new ATOM 1439 N TYR B 50 3.141 -0.676 -6.954 1.00 0.00 N ATOM 1440 CA TYR B 50 3.205 0.761 -6.932 1.00 0.00 C ATOM 1441 C TYR B 50 4.574 1.243 -7.358 1.00 0.00 C ATOM 1442 O TYR B 50 4.693 2.081 -8.248 1.00 0.00 O ATOM 1443 CB TYR B 50 2.880 1.258 -5.536 1.00 0.00 C ATOM 1444 CG TYR B 50 3.028 2.741 -5.369 1.00 0.00 C ATOM 1445 CD1 TYR B 50 2.199 3.611 -6.050 1.00 0.00 C ATOM 1446 CD2 TYR B 50 3.982 3.263 -4.516 1.00 0.00 C ATOM 1447 CE1 TYR B 50 2.316 4.973 -5.893 1.00 0.00 C ATOM 1448 CE2 TYR B 50 4.112 4.631 -4.347 1.00 0.00 C ATOM 1449 CZ TYR B 50 3.274 5.482 -5.039 1.00 0.00 C ATOM 1450 OH TYR B 50 3.404 6.846 -4.888 1.00 0.00 O ATOM 0 H TYR B 50 3.097 -1.105 -6.030 1.00 0.00 H new ATOM 0 HA TYR B 50 2.475 1.159 -7.636 1.00 0.00 H new ATOM 0 HB2 TYR B 50 1.857 0.975 -5.289 1.00 0.00 H new ATOM 0 HB3 TYR B 50 3.531 0.755 -4.821 1.00 0.00 H new ATOM 0 HD1 TYR B 50 1.447 3.216 -6.717 1.00 0.00 H new ATOM 0 HD2 TYR B 50 4.635 2.595 -3.974 1.00 0.00 H new ATOM 0 HE1 TYR B 50 1.662 5.640 -6.435 1.00 0.00 H new ATOM 0 HE2 TYR B 50 4.862 5.029 -3.680 1.00 0.00 H new ATOM 0 HH TYR B 50 4.338 7.066 -4.690 1.00 0.00 H new ATOM 1460 N LEU B 51 5.608 0.709 -6.723 1.00 0.00 N ATOM 1461 CA LEU B 51 6.973 1.071 -7.071 1.00 0.00 C ATOM 1462 C LEU B 51 7.263 0.773 -8.531 1.00 0.00 C ATOM 1463 O LEU B 51 7.963 1.532 -9.197 1.00 0.00 O ATOM 1464 CB LEU B 51 7.992 0.347 -6.190 1.00 0.00 C ATOM 1465 CG LEU B 51 8.390 1.063 -4.894 1.00 0.00 C ATOM 1466 CD1 LEU B 51 8.037 2.543 -4.947 1.00 0.00 C ATOM 1467 CD2 LEU B 51 7.757 0.383 -3.685 1.00 0.00 C ATOM 0 H LEU B 51 5.528 0.027 -5.968 1.00 0.00 H new ATOM 0 HA LEU B 51 7.068 2.143 -6.900 1.00 0.00 H new ATOM 0 HB2 LEU B 51 7.588 -0.632 -5.931 1.00 0.00 H new ATOM 0 HB3 LEU B 51 8.893 0.175 -6.778 1.00 0.00 H new ATOM 0 HG LEU B 51 9.473 0.992 -4.790 1.00 0.00 H new ATOM 0 HD11 LEU B 51 8.332 3.021 -4.013 1.00 0.00 H new ATOM 0 HD12 LEU B 51 8.563 3.013 -5.778 1.00 0.00 H new ATOM 0 HD13 LEU B 51 6.962 2.656 -5.088 1.00 0.00 H new ATOM 0 HD21 LEU B 51 8.053 0.907 -2.776 1.00 0.00 H new ATOM 0 HD22 LEU B 51 6.671 0.407 -3.781 1.00 0.00 H new ATOM 0 HD23 LEU B 51 8.094 -0.652 -3.632 1.00 0.00 H new ATOM 1479 N GLN B 52 6.717 -0.321 -9.037 1.00 0.00 N ATOM 1480 CA GLN B 52 6.961 -0.699 -10.426 1.00 0.00 C ATOM 1481 C GLN B 52 6.130 0.144 -11.388 1.00 0.00 C ATOM 1482 O GLN B 52 6.588 0.491 -12.477 1.00 0.00 O ATOM 1483 CB GLN B 52 6.703 -2.192 -10.667 1.00 0.00 C ATOM 1484 CG GLN B 52 7.848 -3.095 -10.227 1.00 0.00 C ATOM 1485 CD GLN B 52 7.859 -3.367 -8.740 1.00 0.00 C ATOM 1486 OE1 GLN B 52 8.432 -2.611 -7.957 1.00 0.00 O ATOM 1487 NE2 GLN B 52 7.245 -4.468 -8.344 1.00 0.00 N ATOM 0 H GLN B 52 6.110 -0.957 -8.519 1.00 0.00 H new ATOM 0 HA GLN B 52 8.016 -0.505 -10.622 1.00 0.00 H new ATOM 0 HB2 GLN B 52 5.798 -2.485 -10.135 1.00 0.00 H new ATOM 0 HB3 GLN B 52 6.515 -2.351 -11.729 1.00 0.00 H new ATOM 0 HG2 GLN B 52 7.780 -4.042 -10.762 1.00 0.00 H new ATOM 0 HG3 GLN B 52 8.794 -2.635 -10.512 1.00 0.00 H new ATOM 0 HE21 GLN B 52 6.782 -5.067 -9.027 1.00 0.00 H new ATOM 0 HE22 GLN B 52 7.234 -4.718 -7.355 1.00 0.00 H new