USER MOD reduce.3.24.130724 H: found=0, std=0, add=519, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 521 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 32 ASN : amide:sc= -2.46! C(o=-2.7!,f=-3.7!) USER MOD Set 1.2: A 69 MET CE :methyl -120:sc= -0.219 (180deg=-0.00835) USER MOD Single : A 2 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00122) USER MOD Single : A 5 LYS NZ :NH3+ -125:sc= -0.602 (180deg=-3.61!) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot -100:sc= -1.39! USER MOD Single : A 15 MET CE :methyl 180:sc= -0.362 (180deg=-0.362) USER MOD Single : A 16 ASN : amide:sc= -1.01 K(o=-1,f=-4.1!) USER MOD Single : A 20 TYR OH : rot 170:sc= 0.428 USER MOD Single : A 22 ASN : amide:sc= -1.58 K(o=-1.6,f=-2.1!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 168:sc=-0.000976 (180deg=-0.122) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 37 LYS NZ :NH3+ 169:sc= -0.0341 (180deg=-0.21) USER MOD Single : A 38 SER OG : rot 8:sc= 1.03 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.931 USER MOD Single : A 49 GLN : amide:sc= -0.557 X(o=-0.56,f=-0.88) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 1:sc= 0.988 USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 ASN : amide:sc= -0.0963 K(o=-0.096,f=-0.91) USER MOD Single : A 73 SER OG : rot -45:sc= 0.0529 USER MOD ----------------------------------------------------------------- ATOM 18 N LYS A 2 2.763 -1.300 -0.251 1.00 64.45 N ATOM 19 CA LYS A 2 3.849 -2.194 -0.636 1.00 44.02 C ATOM 20 C LYS A 2 3.668 -3.572 -0.009 1.00 20.43 C ATOM 21 O LYS A 2 4.140 -3.828 1.099 1.00 21.13 O ATOM 22 CB LYS A 2 5.197 -1.603 -0.215 1.00 31.42 C ATOM 23 CG LYS A 2 5.204 -1.054 1.201 1.00 22.43 C ATOM 24 CD LYS A 2 6.523 -0.376 1.529 1.00 4.45 C ATOM 25 CE LYS A 2 6.578 0.062 2.985 1.00 0.31 C ATOM 26 NZ LYS A 2 6.831 -1.085 3.900 1.00 3.22 N ATOM 0 HA LYS A 2 3.829 -2.303 -1.720 1.00 44.02 H new ATOM 0 HB2 LYS A 2 5.964 -2.372 -0.301 1.00 31.42 H new ATOM 0 HB3 LYS A 2 5.466 -0.805 -0.907 1.00 31.42 H new ATOM 0 HG2 LYS A 2 4.388 -0.341 1.320 1.00 22.43 H new ATOM 0 HG3 LYS A 2 5.025 -1.865 1.907 1.00 22.43 H new ATOM 0 HD2 LYS A 2 7.346 -1.060 1.322 1.00 4.45 H new ATOM 0 HD3 LYS A 2 6.659 0.491 0.882 1.00 4.45 H new ATOM 0 HE2 LYS A 2 7.364 0.807 3.111 1.00 0.31 H new ATOM 0 HE3 LYS A 2 5.637 0.542 3.256 1.00 0.31 H new ATOM 0 HZ1 LYS A 2 6.878 -0.743 4.881 1.00 3.22 H new ATOM 0 HZ2 LYS A 2 6.059 -1.777 3.811 1.00 3.22 H new ATOM 0 HZ3 LYS A 2 7.733 -1.538 3.648 1.00 3.22 H new ATOM 40 N PHE A 3 2.983 -4.458 -0.724 1.00 54.25 N ATOM 41 CA PHE A 3 2.740 -5.811 -0.238 1.00 14.34 C ATOM 42 C PHE A 3 2.708 -6.807 -1.393 1.00 15.10 C ATOM 43 O PHE A 3 2.066 -6.567 -2.416 1.00 14.50 O ATOM 44 CB PHE A 3 1.421 -5.868 0.537 1.00 41.24 C ATOM 45 CG PHE A 3 0.208 -5.899 -0.348 1.00 35.51 C ATOM 46 CD1 PHE A 3 -0.291 -7.103 -0.819 1.00 74.11 C ATOM 47 CD2 PHE A 3 -0.434 -4.725 -0.708 1.00 70.54 C ATOM 48 CE1 PHE A 3 -1.408 -7.136 -1.633 1.00 12.11 C ATOM 49 CE2 PHE A 3 -1.551 -4.752 -1.521 1.00 73.05 C ATOM 50 CZ PHE A 3 -2.038 -5.959 -1.985 1.00 53.53 C ATOM 0 H PHE A 3 2.586 -4.263 -1.643 1.00 54.25 H new ATOM 0 HA PHE A 3 3.558 -6.083 0.429 1.00 14.34 H new ATOM 0 HB2 PHE A 3 1.420 -6.753 1.173 1.00 41.24 H new ATOM 0 HB3 PHE A 3 1.358 -5.002 1.196 1.00 41.24 H new ATOM 0 HD1 PHE A 3 0.198 -8.026 -0.547 1.00 74.11 H new ATOM 0 HD2 PHE A 3 -0.057 -3.779 -0.349 1.00 70.54 H new ATOM 0 HE1 PHE A 3 -1.787 -8.081 -1.993 1.00 12.11 H new ATOM 0 HE2 PHE A 3 -2.043 -3.830 -1.794 1.00 73.05 H new ATOM 0 HZ PHE A 3 -2.910 -5.982 -2.622 1.00 53.53 H new ATOM 60 N ILE A 4 3.405 -7.925 -1.222 1.00 11.13 N ATOM 61 CA ILE A 4 3.456 -8.958 -2.249 1.00 41.41 C ATOM 62 C ILE A 4 3.382 -10.350 -1.633 1.00 21.43 C ATOM 63 O ILE A 4 3.712 -10.542 -0.462 1.00 62.01 O ATOM 64 CB ILE A 4 4.740 -8.849 -3.093 1.00 21.43 C ATOM 65 CG1 ILE A 4 4.951 -7.407 -3.558 1.00 35.01 C ATOM 66 CG2 ILE A 4 4.671 -9.792 -4.285 1.00 44.31 C ATOM 67 CD1 ILE A 4 3.930 -6.945 -4.575 1.00 21.15 C ATOM 0 H ILE A 4 3.942 -8.139 -0.382 1.00 11.13 H new ATOM 0 HA ILE A 4 2.592 -8.804 -2.895 1.00 41.41 H new ATOM 0 HB ILE A 4 5.590 -9.138 -2.474 1.00 21.43 H new ATOM 0 HG12 ILE A 4 4.915 -6.746 -2.692 1.00 35.01 H new ATOM 0 HG13 ILE A 4 5.948 -7.315 -3.988 1.00 35.01 H new ATOM 0 HG21 ILE A 4 5.585 -9.704 -4.872 1.00 44.31 H new ATOM 0 HG22 ILE A 4 4.564 -10.818 -3.932 1.00 44.31 H new ATOM 0 HG23 ILE A 4 3.814 -9.531 -4.906 1.00 44.31 H new ATOM 0 HD11 ILE A 4 4.141 -5.914 -4.860 1.00 21.15 H new ATOM 0 HD12 ILE A 4 3.981 -7.583 -5.457 1.00 21.15 H new ATOM 0 HD13 ILE A 4 2.932 -7.005 -4.141 1.00 21.15 H new ATOM 79 N LYS A 5 2.948 -11.322 -2.429 1.00 2.50 N ATOM 80 CA LYS A 5 2.833 -12.699 -1.964 1.00 44.23 C ATOM 81 C LYS A 5 4.210 -13.336 -1.805 1.00 41.12 C ATOM 82 O LYS A 5 5.212 -12.797 -2.275 1.00 4.41 O ATOM 83 CB LYS A 5 1.990 -13.520 -2.942 1.00 14.11 C ATOM 84 CG LYS A 5 2.782 -14.071 -4.115 1.00 33.11 C ATOM 85 CD LYS A 5 3.435 -12.959 -4.918 1.00 73.05 C ATOM 86 CE LYS A 5 3.830 -13.434 -6.308 1.00 63.02 C ATOM 87 NZ LYS A 5 5.246 -13.099 -6.627 1.00 12.31 N ATOM 0 H LYS A 5 2.670 -11.181 -3.400 1.00 2.50 H new ATOM 0 HA LYS A 5 2.342 -12.688 -0.991 1.00 44.23 H new ATOM 0 HB2 LYS A 5 1.529 -14.349 -2.404 1.00 14.11 H new ATOM 0 HB3 LYS A 5 1.180 -12.897 -3.322 1.00 14.11 H new ATOM 0 HG2 LYS A 5 3.548 -14.755 -3.749 1.00 33.11 H new ATOM 0 HG3 LYS A 5 2.122 -14.649 -4.762 1.00 33.11 H new ATOM 0 HD2 LYS A 5 2.748 -12.117 -5.002 1.00 73.05 H new ATOM 0 HD3 LYS A 5 4.318 -12.598 -4.391 1.00 73.05 H new ATOM 0 HE2 LYS A 5 3.687 -14.512 -6.377 1.00 63.02 H new ATOM 0 HE3 LYS A 5 3.173 -12.977 -7.048 1.00 63.02 H new ATOM 0 HZ1 LYS A 5 5.283 -12.557 -7.514 1.00 12.31 H new ATOM 0 HZ2 LYS A 5 5.650 -12.530 -5.856 1.00 12.31 H new ATOM 0 HZ3 LYS A 5 5.795 -13.976 -6.734 1.00 12.31 H new ATOM 101 N TYR A 6 4.252 -14.486 -1.142 1.00 35.10 N ATOM 102 CA TYR A 6 5.506 -15.196 -0.921 1.00 13.05 C ATOM 103 C TYR A 6 5.977 -15.882 -2.199 1.00 54.24 C ATOM 104 O TYR A 6 5.174 -16.212 -3.073 1.00 54.22 O ATOM 105 CB TYR A 6 5.341 -16.230 0.195 1.00 52.33 C ATOM 106 CG TYR A 6 4.740 -15.663 1.461 1.00 34.52 C ATOM 107 CD1 TYR A 6 5.495 -14.875 2.320 1.00 31.25 C ATOM 108 CD2 TYR A 6 3.415 -15.916 1.798 1.00 63.10 C ATOM 109 CE1 TYR A 6 4.950 -14.357 3.479 1.00 52.41 C ATOM 110 CE2 TYR A 6 2.861 -15.400 2.954 1.00 63.33 C ATOM 111 CZ TYR A 6 3.633 -14.622 3.791 1.00 14.30 C ATOM 112 OH TYR A 6 3.085 -14.106 4.943 1.00 5.44 O ATOM 0 H TYR A 6 3.432 -14.947 -0.748 1.00 35.10 H new ATOM 0 HA TYR A 6 6.259 -14.466 -0.624 1.00 13.05 H new ATOM 0 HB2 TYR A 6 4.710 -17.043 -0.165 1.00 52.33 H new ATOM 0 HB3 TYR A 6 6.315 -16.661 0.426 1.00 52.33 H new ATOM 0 HD1 TYR A 6 6.526 -14.664 2.078 1.00 31.25 H new ATOM 0 HD2 TYR A 6 2.808 -16.526 1.145 1.00 63.10 H new ATOM 0 HE1 TYR A 6 5.552 -13.748 4.137 1.00 52.41 H new ATOM 0 HE2 TYR A 6 1.830 -15.605 3.201 1.00 63.33 H new ATOM 0 HH TYR A 6 2.148 -14.386 5.014 1.00 5.44 H new ATOM 122 N LEU A 7 7.284 -16.094 -2.302 1.00 50.20 N ATOM 123 CA LEU A 7 7.864 -16.741 -3.473 1.00 65.23 C ATOM 124 C LEU A 7 8.380 -18.134 -3.126 1.00 23.00 C ATOM 125 O LEU A 7 9.574 -18.412 -3.242 1.00 51.34 O ATOM 126 CB LEU A 7 9.002 -15.890 -4.039 1.00 64.05 C ATOM 127 CG LEU A 7 8.791 -14.376 -4.003 1.00 34.13 C ATOM 128 CD1 LEU A 7 9.951 -13.658 -4.674 1.00 60.31 C ATOM 129 CD2 LEU A 7 7.474 -14.005 -4.670 1.00 20.43 C ATOM 0 H LEU A 7 7.962 -15.827 -1.589 1.00 50.20 H new ATOM 0 HA LEU A 7 7.083 -16.840 -4.227 1.00 65.23 H new ATOM 0 HB2 LEU A 7 9.912 -16.123 -3.486 1.00 64.05 H new ATOM 0 HB3 LEU A 7 9.172 -16.188 -5.074 1.00 64.05 H new ATOM 0 HG LEU A 7 8.750 -14.060 -2.961 1.00 34.13 H new ATOM 0 HD11 LEU A 7 9.782 -12.582 -4.638 1.00 60.31 H new ATOM 0 HD12 LEU A 7 10.878 -13.898 -4.153 1.00 60.31 H new ATOM 0 HD13 LEU A 7 10.026 -13.979 -5.713 1.00 60.31 H new ATOM 0 HD21 LEU A 7 7.340 -12.924 -4.635 1.00 20.43 H new ATOM 0 HD22 LEU A 7 7.486 -14.336 -5.709 1.00 20.43 H new ATOM 0 HD23 LEU A 7 6.651 -14.489 -4.145 1.00 20.43 H new ATOM 141 N SER A 8 7.472 -19.007 -2.701 1.00 43.20 N ATOM 142 CA SER A 8 7.836 -20.371 -2.335 1.00 54.23 C ATOM 143 C SER A 8 6.599 -21.177 -1.949 1.00 64.31 C ATOM 144 O SER A 8 5.474 -20.683 -2.019 1.00 34.02 O ATOM 145 CB SER A 8 8.835 -20.362 -1.177 1.00 0.21 C ATOM 146 OG SER A 8 9.740 -21.448 -1.275 1.00 73.14 O ATOM 0 H SER A 8 6.479 -18.794 -2.602 1.00 43.20 H new ATOM 0 HA SER A 8 8.300 -20.842 -3.201 1.00 54.23 H new ATOM 0 HB2 SER A 8 9.388 -19.423 -1.177 1.00 0.21 H new ATOM 0 HB3 SER A 8 8.299 -20.416 -0.230 1.00 0.21 H new ATOM 0 HG SER A 8 9.457 -22.165 -0.670 1.00 73.14 H new ATOM 247 N MET A 15 9.764 -22.188 4.230 1.00 64.41 N ATOM 248 CA MET A 15 10.394 -21.308 3.252 1.00 20.33 C ATOM 249 C MET A 15 9.357 -20.420 2.573 1.00 74.23 C ATOM 250 O MET A 15 8.387 -20.912 1.998 1.00 54.14 O ATOM 251 CB MET A 15 11.145 -22.130 2.203 1.00 74.51 C ATOM 252 CG MET A 15 12.566 -21.650 1.957 1.00 74.01 C ATOM 253 SD MET A 15 13.591 -22.897 1.155 1.00 65.31 S ATOM 254 CE MET A 15 14.147 -23.841 2.572 1.00 2.13 C ATOM 0 HA MET A 15 11.104 -20.670 3.778 1.00 20.33 H new ATOM 0 HB2 MET A 15 11.172 -23.172 2.521 1.00 74.51 H new ATOM 0 HB3 MET A 15 10.592 -22.098 1.264 1.00 74.51 H new ATOM 0 HG2 MET A 15 12.540 -20.753 1.338 1.00 74.01 H new ATOM 0 HG3 MET A 15 13.020 -21.368 2.907 1.00 74.01 H new ATOM 0 HE1 MET A 15 14.794 -24.652 2.238 1.00 2.13 H new ATOM 0 HE2 MET A 15 14.702 -23.190 3.248 1.00 2.13 H new ATOM 0 HE3 MET A 15 13.285 -24.256 3.094 1.00 2.13 H new ATOM 264 N ASN A 16 9.568 -19.110 2.644 1.00 41.04 N ATOM 265 CA ASN A 16 8.650 -18.154 2.036 1.00 41.44 C ATOM 266 C ASN A 16 9.303 -16.781 1.904 1.00 61.12 C ATOM 267 O ASN A 16 9.505 -16.081 2.896 1.00 0.23 O ATOM 268 CB ASN A 16 7.370 -18.044 2.867 1.00 63.21 C ATOM 269 CG ASN A 16 6.293 -19.004 2.399 1.00 2.31 C ATOM 270 OD1 ASN A 16 6.311 -19.466 1.258 1.00 13.41 O ATOM 271 ND2 ASN A 16 5.348 -19.308 3.281 1.00 3.12 N ATOM 0 H ASN A 16 10.366 -18.686 3.116 1.00 41.04 H new ATOM 0 HA ASN A 16 8.398 -18.515 1.039 1.00 41.44 H new ATOM 0 HB2 ASN A 16 7.601 -18.243 3.913 1.00 63.21 H new ATOM 0 HB3 ASN A 16 6.992 -17.023 2.813 1.00 63.21 H new ATOM 0 HD21 ASN A 16 4.597 -19.948 3.023 1.00 3.12 H new ATOM 0 HD22 ASN A 16 5.373 -18.901 4.216 1.00 3.12 H new ATOM 278 N ILE A 17 9.630 -16.403 0.673 1.00 62.44 N ATOM 279 CA ILE A 17 10.258 -15.114 0.411 1.00 25.40 C ATOM 280 C ILE A 17 9.214 -14.013 0.265 1.00 32.23 C ATOM 281 O ILE A 17 8.444 -13.997 -0.694 1.00 74.34 O ATOM 282 CB ILE A 17 11.123 -15.158 -0.863 1.00 4.24 C ATOM 283 CG1 ILE A 17 12.354 -16.039 -0.640 1.00 2.03 C ATOM 284 CG2 ILE A 17 11.538 -13.752 -1.269 1.00 44.21 C ATOM 285 CD1 ILE A 17 12.945 -16.587 -1.920 1.00 1.31 C ATOM 0 H ILE A 17 9.470 -16.971 -0.159 1.00 62.44 H new ATOM 0 HA ILE A 17 10.896 -14.894 1.267 1.00 25.40 H new ATOM 0 HB ILE A 17 10.532 -15.590 -1.671 1.00 4.24 H new ATOM 0 HG12 ILE A 17 13.115 -15.460 -0.117 1.00 2.03 H new ATOM 0 HG13 ILE A 17 12.083 -16.870 0.010 1.00 2.03 H new ATOM 0 HG21 ILE A 17 12.149 -13.799 -2.171 1.00 44.21 H new ATOM 0 HG22 ILE A 17 10.649 -13.152 -1.464 1.00 44.21 H new ATOM 0 HG23 ILE A 17 12.114 -13.296 -0.464 1.00 44.21 H new ATOM 0 HD11 ILE A 17 13.814 -17.202 -1.686 1.00 1.31 H new ATOM 0 HD12 ILE A 17 12.200 -17.193 -2.435 1.00 1.31 H new ATOM 0 HD13 ILE A 17 13.248 -15.761 -2.564 1.00 1.31 H new ATOM 297 N ALA A 18 9.195 -13.093 1.224 1.00 51.55 N ATOM 298 CA ALA A 18 8.248 -11.985 1.200 1.00 13.11 C ATOM 299 C ALA A 18 8.779 -10.826 0.364 1.00 41.31 C ATOM 300 O ALA A 18 9.851 -10.287 0.641 1.00 60.31 O ATOM 301 CB ALA A 18 7.944 -11.520 2.617 1.00 73.42 C ATOM 0 H ALA A 18 9.824 -13.093 2.027 1.00 51.55 H new ATOM 0 HA ALA A 18 7.326 -12.338 0.739 1.00 13.11 H new ATOM 0 HB1 ALA A 18 7.236 -10.692 2.584 1.00 73.42 H new ATOM 0 HB2 ALA A 18 7.513 -12.344 3.186 1.00 73.42 H new ATOM 0 HB3 ALA A 18 8.865 -11.190 3.097 1.00 73.42 H new ATOM 307 N VAL A 19 8.023 -10.446 -0.661 1.00 70.13 N ATOM 308 CA VAL A 19 8.418 -9.350 -1.538 1.00 71.21 C ATOM 309 C VAL A 19 7.566 -8.111 -1.287 1.00 3.15 C ATOM 310 O VAL A 19 6.519 -8.185 -0.643 1.00 3.41 O ATOM 311 CB VAL A 19 8.300 -9.748 -3.021 1.00 44.15 C ATOM 312 CG1 VAL A 19 9.312 -8.983 -3.861 1.00 51.23 C ATOM 313 CG2 VAL A 19 8.485 -11.249 -3.186 1.00 53.14 C ATOM 0 H VAL A 19 7.133 -10.881 -0.905 1.00 70.13 H new ATOM 0 HA VAL A 19 9.460 -9.123 -1.312 1.00 71.21 H new ATOM 0 HB VAL A 19 7.301 -9.487 -3.371 1.00 44.15 H new ATOM 0 HG11 VAL A 19 9.214 -9.277 -4.906 1.00 51.23 H new ATOM 0 HG12 VAL A 19 9.128 -7.913 -3.767 1.00 51.23 H new ATOM 0 HG13 VAL A 19 10.320 -9.210 -3.513 1.00 51.23 H new ATOM 0 HG21 VAL A 19 8.398 -11.513 -4.240 1.00 53.14 H new ATOM 0 HG22 VAL A 19 9.471 -11.537 -2.820 1.00 53.14 H new ATOM 0 HG23 VAL A 19 7.719 -11.775 -2.616 1.00 53.14 H new ATOM 323 N TYR A 20 8.022 -6.973 -1.799 1.00 31.14 N ATOM 324 CA TYR A 20 7.303 -5.716 -1.628 1.00 72.21 C ATOM 325 C TYR A 20 7.474 -4.821 -2.851 1.00 54.52 C ATOM 326 O TYR A 20 8.586 -4.624 -3.339 1.00 61.21 O ATOM 327 CB TYR A 20 7.796 -4.988 -0.376 1.00 73.33 C ATOM 328 CG TYR A 20 7.936 -5.887 0.831 1.00 20.42 C ATOM 329 CD1 TYR A 20 6.824 -6.265 1.574 1.00 4.53 C ATOM 330 CD2 TYR A 20 9.181 -6.361 1.228 1.00 13.43 C ATOM 331 CE1 TYR A 20 6.948 -7.085 2.679 1.00 63.14 C ATOM 332 CE2 TYR A 20 9.314 -7.183 2.330 1.00 11.15 C ATOM 333 CZ TYR A 20 8.195 -7.542 3.053 1.00 51.14 C ATOM 334 OH TYR A 20 8.322 -8.361 4.151 1.00 3.32 O ATOM 0 H TYR A 20 8.886 -6.895 -2.336 1.00 31.14 H new ATOM 0 HA TYR A 20 6.244 -5.945 -1.513 1.00 72.21 H new ATOM 0 HB2 TYR A 20 8.761 -4.528 -0.590 1.00 73.33 H new ATOM 0 HB3 TYR A 20 7.103 -4.181 -0.139 1.00 73.33 H new ATOM 0 HD1 TYR A 20 5.846 -5.912 1.283 1.00 4.53 H new ATOM 0 HD2 TYR A 20 10.059 -6.082 0.665 1.00 13.43 H new ATOM 0 HE1 TYR A 20 6.074 -7.367 3.247 1.00 63.14 H new ATOM 0 HE2 TYR A 20 10.289 -7.543 2.624 1.00 11.15 H new ATOM 0 HH TYR A 20 9.234 -8.719 4.189 1.00 3.32 H new ATOM 344 N GLU A 21 6.362 -4.280 -3.341 1.00 1.25 N ATOM 345 CA GLU A 21 6.388 -3.405 -4.507 1.00 3.12 C ATOM 346 C GLU A 21 6.192 -1.948 -4.098 1.00 41.33 C ATOM 347 O GLU A 21 5.553 -1.656 -3.088 1.00 60.04 O ATOM 348 CB GLU A 21 5.304 -3.817 -5.505 1.00 44.52 C ATOM 349 CG GLU A 21 5.413 -3.112 -6.847 1.00 3.42 C ATOM 350 CD GLU A 21 4.727 -3.874 -7.964 1.00 14.53 C ATOM 351 OE1 GLU A 21 4.567 -5.105 -7.832 1.00 12.23 O ATOM 352 OE2 GLU A 21 4.349 -3.237 -8.970 1.00 32.41 O ATOM 0 H GLU A 21 5.433 -4.433 -2.949 1.00 1.25 H new ATOM 0 HA GLU A 21 7.364 -3.503 -4.982 1.00 3.12 H new ATOM 0 HB2 GLU A 21 5.359 -4.894 -5.664 1.00 44.52 H new ATOM 0 HB3 GLU A 21 4.325 -3.608 -5.073 1.00 44.52 H new ATOM 0 HG2 GLU A 21 4.974 -2.118 -6.767 1.00 3.42 H new ATOM 0 HG3 GLU A 21 6.465 -2.976 -7.098 1.00 3.42 H new ATOM 359 N ASN A 22 6.747 -1.037 -4.891 1.00 65.13 N ATOM 360 CA ASN A 22 6.635 0.390 -4.612 1.00 61.13 C ATOM 361 C ASN A 22 5.753 1.079 -5.649 1.00 33.02 C ATOM 362 O ASN A 22 5.728 0.689 -6.815 1.00 54.55 O ATOM 363 CB ASN A 22 8.021 1.038 -4.594 1.00 71.02 C ATOM 364 CG ASN A 22 7.958 2.529 -4.327 1.00 3.43 C ATOM 365 OD1 ASN A 22 8.626 3.320 -4.994 1.00 73.44 O ATOM 366 ND2 ASN A 22 7.154 2.921 -3.345 1.00 52.15 N ATOM 0 H ASN A 22 7.279 -1.262 -5.732 1.00 65.13 H new ATOM 0 HA ASN A 22 6.173 0.508 -3.632 1.00 61.13 H new ATOM 0 HB2 ASN A 22 8.633 0.560 -3.829 1.00 71.02 H new ATOM 0 HB3 ASN A 22 8.513 0.863 -5.551 1.00 71.02 H new ATOM 0 HD21 ASN A 22 7.072 3.912 -3.118 1.00 52.15 H new ATOM 0 HD22 ASN A 22 6.619 2.231 -2.818 1.00 52.15 H new ATOM 373 N GLY A 23 5.030 2.107 -5.214 1.00 33.44 N ATOM 374 CA GLY A 23 4.156 2.834 -6.116 1.00 3.02 C ATOM 375 C GLY A 23 4.912 3.475 -7.263 1.00 11.54 C ATOM 376 O GLY A 23 4.521 3.346 -8.422 1.00 75.35 O ATOM 0 H GLY A 23 5.034 2.449 -4.253 1.00 33.44 H new ATOM 0 HA2 GLY A 23 3.404 2.154 -6.516 1.00 3.02 H new ATOM 0 HA3 GLY A 23 3.624 3.605 -5.559 1.00 3.02 H new ATOM 380 N SER A 24 5.997 4.171 -6.939 1.00 1.34 N ATOM 381 CA SER A 24 6.806 4.840 -7.950 1.00 44.44 C ATOM 382 C SER A 24 7.341 3.838 -8.969 1.00 30.13 C ATOM 383 O SER A 24 6.862 3.770 -10.101 1.00 64.31 O ATOM 384 CB SER A 24 7.969 5.586 -7.293 1.00 24.44 C ATOM 385 OG SER A 24 7.656 6.955 -7.104 1.00 22.30 O ATOM 0 H SER A 24 6.336 4.286 -5.984 1.00 1.34 H new ATOM 0 HA SER A 24 6.171 5.557 -8.470 1.00 44.44 H new ATOM 0 HB2 SER A 24 8.203 5.127 -6.332 1.00 24.44 H new ATOM 0 HB3 SER A 24 8.860 5.496 -7.914 1.00 24.44 H new ATOM 0 HG SER A 24 8.415 7.409 -6.681 1.00 22.30 H new ATOM 391 N LYS A 25 8.337 3.061 -8.558 1.00 21.34 N ATOM 392 CA LYS A 25 8.938 2.060 -9.431 1.00 60.12 C ATOM 393 C LYS A 25 8.783 0.661 -8.843 1.00 71.15 C ATOM 394 O LYS A 25 8.162 0.484 -7.795 1.00 21.41 O ATOM 395 CB LYS A 25 10.420 2.370 -9.653 1.00 2.25 C ATOM 396 CG LYS A 25 10.669 3.724 -10.294 1.00 10.30 C ATOM 397 CD LYS A 25 10.310 3.716 -11.771 1.00 3.25 C ATOM 398 CE LYS A 25 10.674 5.033 -12.440 1.00 23.33 C ATOM 399 NZ LYS A 25 12.149 5.211 -12.547 1.00 12.20 N ATOM 0 H LYS A 25 8.746 3.105 -7.624 1.00 21.34 H new ATOM 0 HA LYS A 25 8.419 2.092 -10.389 1.00 60.12 H new ATOM 0 HB2 LYS A 25 10.938 2.330 -8.695 1.00 2.25 H new ATOM 0 HB3 LYS A 25 10.854 1.594 -10.283 1.00 2.25 H new ATOM 0 HG2 LYS A 25 10.081 4.485 -9.780 1.00 10.30 H new ATOM 0 HG3 LYS A 25 11.718 3.997 -10.175 1.00 10.30 H new ATOM 0 HD2 LYS A 25 10.831 2.898 -12.269 1.00 3.25 H new ATOM 0 HD3 LYS A 25 9.242 3.531 -11.886 1.00 3.25 H new ATOM 0 HE2 LYS A 25 10.231 5.070 -13.435 1.00 23.33 H new ATOM 0 HE3 LYS A 25 10.249 5.859 -11.871 1.00 23.33 H new ATOM 0 HZ1 LYS A 25 12.357 6.009 -13.181 1.00 12.20 H new ATOM 0 HZ2 LYS A 25 12.545 5.405 -11.605 1.00 12.20 H new ATOM 0 HZ3 LYS A 25 12.576 4.344 -12.930 1.00 12.20 H new ATOM 413 N ILE A 26 9.352 -0.328 -9.524 1.00 74.33 N ATOM 414 CA ILE A 26 9.278 -1.710 -9.067 1.00 61.53 C ATOM 415 C ILE A 26 10.384 -2.017 -8.063 1.00 51.00 C ATOM 416 O ILE A 26 11.519 -1.566 -8.215 1.00 42.34 O ATOM 417 CB ILE A 26 9.381 -2.699 -10.244 1.00 55.31 C ATOM 418 CG1 ILE A 26 8.244 -2.460 -11.240 1.00 14.42 C ATOM 419 CG2 ILE A 26 9.354 -4.132 -9.736 1.00 31.33 C ATOM 420 CD1 ILE A 26 6.884 -2.859 -10.711 1.00 54.41 C ATOM 0 H ILE A 26 9.869 -0.198 -10.394 1.00 74.33 H new ATOM 0 HA ILE A 26 8.308 -1.831 -8.585 1.00 61.53 H new ATOM 0 HB ILE A 26 10.329 -2.534 -10.756 1.00 55.31 H new ATOM 0 HG12 ILE A 26 8.224 -1.404 -11.510 1.00 14.42 H new ATOM 0 HG13 ILE A 26 8.448 -3.019 -12.153 1.00 14.42 H new ATOM 0 HG21 ILE A 26 9.428 -4.818 -10.579 1.00 31.33 H new ATOM 0 HG22 ILE A 26 10.194 -4.295 -9.061 1.00 31.33 H new ATOM 0 HG23 ILE A 26 8.421 -4.311 -9.203 1.00 31.33 H new ATOM 0 HD11 ILE A 26 6.126 -2.662 -11.470 1.00 54.41 H new ATOM 0 HD12 ILE A 26 6.886 -3.921 -10.467 1.00 54.41 H new ATOM 0 HD13 ILE A 26 6.659 -2.281 -9.814 1.00 54.41 H new ATOM 432 N LYS A 27 10.045 -2.789 -7.036 1.00 3.01 N ATOM 433 CA LYS A 27 11.009 -3.160 -6.007 1.00 1.04 C ATOM 434 C LYS A 27 10.887 -4.639 -5.655 1.00 20.12 C ATOM 435 O LYS A 27 9.783 -5.175 -5.558 1.00 3.43 O ATOM 436 CB LYS A 27 10.801 -2.308 -4.753 1.00 13.42 C ATOM 437 CG LYS A 27 11.626 -2.765 -3.563 1.00 2.44 C ATOM 438 CD LYS A 27 12.043 -1.593 -2.690 1.00 14.42 C ATOM 439 CE LYS A 27 10.972 -1.253 -1.664 1.00 71.31 C ATOM 440 NZ LYS A 27 11.385 -0.126 -0.784 1.00 12.44 N ATOM 0 H LYS A 27 9.110 -3.170 -6.894 1.00 3.01 H new ATOM 0 HA LYS A 27 12.009 -2.979 -6.400 1.00 1.04 H new ATOM 0 HB2 LYS A 27 11.052 -1.272 -4.982 1.00 13.42 H new ATOM 0 HB3 LYS A 27 9.746 -2.328 -4.482 1.00 13.42 H new ATOM 0 HG2 LYS A 27 11.049 -3.474 -2.970 1.00 2.44 H new ATOM 0 HG3 LYS A 27 12.513 -3.291 -3.915 1.00 2.44 H new ATOM 0 HD2 LYS A 27 12.975 -1.833 -2.179 1.00 14.42 H new ATOM 0 HD3 LYS A 27 12.238 -0.722 -3.316 1.00 14.42 H new ATOM 0 HE2 LYS A 27 10.047 -0.992 -2.178 1.00 71.31 H new ATOM 0 HE3 LYS A 27 10.761 -2.132 -1.054 1.00 71.31 H new ATOM 0 HZ1 LYS A 27 10.629 0.075 -0.099 1.00 12.44 H new ATOM 0 HZ2 LYS A 27 12.254 -0.384 -0.274 1.00 12.44 H new ATOM 0 HZ3 LYS A 27 11.561 0.720 -1.363 1.00 12.44 H new ATOM 454 N ALA A 28 12.028 -5.293 -5.463 1.00 71.35 N ATOM 455 CA ALA A 28 12.048 -6.709 -5.119 1.00 30.42 C ATOM 456 C ALA A 28 12.977 -6.974 -3.938 1.00 74.15 C ATOM 457 O ALA A 28 14.199 -6.967 -4.084 1.00 50.35 O ATOM 458 CB ALA A 28 12.471 -7.540 -6.322 1.00 13.52 C ATOM 0 H ALA A 28 12.950 -4.865 -5.540 1.00 71.35 H new ATOM 0 HA ALA A 28 11.039 -7.000 -4.827 1.00 30.42 H new ATOM 0 HB1 ALA A 28 12.481 -8.595 -6.050 1.00 13.52 H new ATOM 0 HB2 ALA A 28 11.766 -7.383 -7.139 1.00 13.52 H new ATOM 0 HB3 ALA A 28 13.469 -7.238 -6.640 1.00 13.52 H new ATOM 464 N ARG A 29 12.389 -7.207 -2.770 1.00 14.24 N ATOM 465 CA ARG A 29 13.164 -7.472 -1.564 1.00 0.33 C ATOM 466 C ARG A 29 12.911 -8.888 -1.055 1.00 14.45 C ATOM 467 O ARG A 29 11.840 -9.186 -0.524 1.00 5.43 O ATOM 468 CB ARG A 29 12.815 -6.456 -0.474 1.00 21.30 C ATOM 469 CG ARG A 29 13.711 -6.545 0.751 1.00 42.15 C ATOM 470 CD ARG A 29 13.189 -5.679 1.887 1.00 62.24 C ATOM 471 NE ARG A 29 12.483 -6.466 2.894 1.00 55.21 N ATOM 472 CZ ARG A 29 11.857 -5.932 3.937 1.00 32.21 C ATOM 473 NH1 ARG A 29 11.850 -4.618 4.109 1.00 51.42 N ATOM 474 NH2 ARG A 29 11.236 -6.714 4.811 1.00 31.20 N ATOM 0 H ARG A 29 11.378 -7.218 -2.633 1.00 14.24 H new ATOM 0 HA ARG A 29 14.221 -7.378 -1.814 1.00 0.33 H new ATOM 0 HB2 ARG A 29 12.882 -5.451 -0.891 1.00 21.30 H new ATOM 0 HB3 ARG A 29 11.780 -6.605 -0.168 1.00 21.30 H new ATOM 0 HG2 ARG A 29 13.775 -7.582 1.082 1.00 42.15 H new ATOM 0 HG3 ARG A 29 14.721 -6.232 0.488 1.00 42.15 H new ATOM 0 HD2 ARG A 29 14.022 -5.154 2.355 1.00 62.24 H new ATOM 0 HD3 ARG A 29 12.519 -4.919 1.485 1.00 62.24 H new ATOM 0 HE ARG A 29 12.470 -7.481 2.791 1.00 55.21 H new ATOM 0 HH11 ARG A 29 12.326 -4.013 3.440 1.00 51.42 H new ATOM 0 HH12 ARG A 29 11.368 -4.211 4.911 1.00 51.42 H new ATOM 0 HH21 ARG A 29 11.239 -7.726 4.682 1.00 31.20 H new ATOM 0 HH22 ARG A 29 10.756 -6.303 5.612 1.00 31.20 H new ATOM 488 N VAL A 30 13.902 -9.757 -1.221 1.00 23.15 N ATOM 489 CA VAL A 30 13.787 -11.141 -0.778 1.00 25.45 C ATOM 490 C VAL A 30 13.980 -11.254 0.731 1.00 53.43 C ATOM 491 O VAL A 30 15.072 -11.018 1.246 1.00 51.52 O ATOM 492 CB VAL A 30 14.817 -12.044 -1.484 1.00 13.13 C ATOM 493 CG1 VAL A 30 14.822 -13.433 -0.865 1.00 22.41 C ATOM 494 CG2 VAL A 30 14.526 -12.117 -2.975 1.00 42.42 C ATOM 0 H VAL A 30 14.794 -9.527 -1.659 1.00 23.15 H new ATOM 0 HA VAL A 30 12.782 -11.474 -1.039 1.00 25.45 H new ATOM 0 HB VAL A 30 15.808 -11.610 -1.351 1.00 13.13 H new ATOM 0 HG11 VAL A 30 15.555 -14.057 -1.376 1.00 22.41 H new ATOM 0 HG12 VAL A 30 15.081 -13.360 0.191 1.00 22.41 H new ATOM 0 HG13 VAL A 30 13.833 -13.880 -0.965 1.00 22.41 H new ATOM 0 HG21 VAL A 30 15.263 -12.759 -3.458 1.00 42.42 H new ATOM 0 HG22 VAL A 30 13.529 -12.528 -3.131 1.00 42.42 H new ATOM 0 HG23 VAL A 30 14.578 -11.117 -3.405 1.00 42.42 H new ATOM 504 N GLU A 31 12.911 -11.616 1.433 1.00 54.12 N ATOM 505 CA GLU A 31 12.962 -11.759 2.883 1.00 44.00 C ATOM 506 C GLU A 31 12.579 -13.175 3.304 1.00 11.31 C ATOM 507 O GLU A 31 11.467 -13.631 3.043 1.00 33.14 O ATOM 508 CB GLU A 31 12.030 -10.746 3.551 1.00 23.23 C ATOM 509 CG GLU A 31 11.744 -11.054 5.011 1.00 12.24 C ATOM 510 CD GLU A 31 10.955 -9.954 5.696 1.00 45.14 C ATOM 511 OE1 GLU A 31 9.709 -9.987 5.629 1.00 41.12 O ATOM 512 OE2 GLU A 31 11.586 -9.060 6.298 1.00 10.12 O ATOM 0 H GLU A 31 11.999 -11.816 1.021 1.00 54.12 H new ATOM 0 HA GLU A 31 13.985 -11.567 3.206 1.00 44.00 H new ATOM 0 HB2 GLU A 31 12.474 -9.753 3.478 1.00 23.23 H new ATOM 0 HB3 GLU A 31 11.088 -10.715 3.003 1.00 23.23 H new ATOM 0 HG2 GLU A 31 11.190 -11.990 5.079 1.00 12.24 H new ATOM 0 HG3 GLU A 31 12.686 -11.203 5.538 1.00 12.24 H new ATOM 519 N ASN A 32 13.509 -13.864 3.956 1.00 23.23 N ATOM 520 CA ASN A 32 13.270 -15.229 4.413 1.00 50.51 C ATOM 521 C ASN A 32 12.451 -15.236 5.700 1.00 2.42 C ATOM 522 O ASN A 32 12.070 -14.183 6.212 1.00 2.13 O ATOM 523 CB ASN A 32 14.598 -15.954 4.636 1.00 24.21 C ATOM 524 CG ASN A 32 14.500 -17.441 4.353 1.00 52.31 C ATOM 525 OD1 ASN A 32 14.905 -18.268 5.170 1.00 43.23 O ATOM 526 ND2 ASN A 32 13.959 -17.787 3.190 1.00 3.23 N ATOM 0 H ASN A 32 14.435 -13.500 4.180 1.00 23.23 H new ATOM 0 HA ASN A 32 12.705 -15.751 3.641 1.00 50.51 H new ATOM 0 HB2 ASN A 32 15.361 -15.514 3.994 1.00 24.21 H new ATOM 0 HB3 ASN A 32 14.922 -15.804 5.666 1.00 24.21 H new ATOM 0 HD21 ASN A 32 13.866 -18.772 2.944 1.00 3.23 H new ATOM 0 HD22 ASN A 32 13.637 -17.067 2.543 1.00 3.23 H new ATOM 533 N VAL A 33 12.184 -16.430 6.219 1.00 63.12 N ATOM 534 CA VAL A 33 11.412 -16.575 7.447 1.00 25.12 C ATOM 535 C VAL A 33 12.069 -17.573 8.394 1.00 30.32 C ATOM 536 O VAL A 33 12.198 -17.318 9.592 1.00 54.45 O ATOM 537 CB VAL A 33 9.972 -17.034 7.154 1.00 54.31 C ATOM 538 CG1 VAL A 33 8.990 -16.338 8.084 1.00 12.31 C ATOM 539 CG2 VAL A 33 9.616 -16.773 5.698 1.00 11.20 C ATOM 0 H VAL A 33 12.491 -17.311 5.808 1.00 63.12 H new ATOM 0 HA VAL A 33 11.383 -15.594 7.920 1.00 25.12 H new ATOM 0 HB VAL A 33 9.907 -18.107 7.334 1.00 54.31 H new ATOM 0 HG11 VAL A 33 7.977 -16.675 7.862 1.00 12.31 H new ATOM 0 HG12 VAL A 33 9.234 -16.580 9.118 1.00 12.31 H new ATOM 0 HG13 VAL A 33 9.053 -15.260 7.939 1.00 12.31 H new ATOM 0 HG21 VAL A 33 8.595 -17.103 5.508 1.00 11.20 H new ATOM 0 HG22 VAL A 33 9.697 -15.706 5.489 1.00 11.20 H new ATOM 0 HG23 VAL A 33 10.301 -17.322 5.052 1.00 11.20 H new ATOM 549 N VAL A 34 12.484 -18.713 7.850 1.00 52.25 N ATOM 550 CA VAL A 34 13.129 -19.750 8.645 1.00 21.13 C ATOM 551 C VAL A 34 14.302 -19.185 9.438 1.00 10.52 C ATOM 552 O VAL A 34 14.642 -19.689 10.508 1.00 52.33 O ATOM 553 CB VAL A 34 13.632 -20.906 7.760 1.00 40.55 C ATOM 554 CG1 VAL A 34 15.056 -20.641 7.294 1.00 32.12 C ATOM 555 CG2 VAL A 34 13.544 -22.227 8.508 1.00 73.13 C ATOM 0 H VAL A 34 12.385 -18.941 6.861 1.00 52.25 H new ATOM 0 HA VAL A 34 12.377 -20.132 9.336 1.00 21.13 H new ATOM 0 HB VAL A 34 12.993 -20.971 6.879 1.00 40.55 H new ATOM 0 HG11 VAL A 34 15.395 -21.468 6.670 1.00 32.12 H new ATOM 0 HG12 VAL A 34 15.084 -19.716 6.717 1.00 32.12 H new ATOM 0 HG13 VAL A 34 15.711 -20.548 8.160 1.00 32.12 H new ATOM 0 HG21 VAL A 34 13.903 -23.032 7.868 1.00 73.13 H new ATOM 0 HG22 VAL A 34 14.158 -22.177 9.408 1.00 73.13 H new ATOM 0 HG23 VAL A 34 12.508 -22.419 8.786 1.00 73.13 H new ATOM 565 N ASN A 35 14.917 -18.133 8.906 1.00 32.21 N ATOM 566 CA ASN A 35 16.053 -17.498 9.564 1.00 33.14 C ATOM 567 C ASN A 35 15.609 -16.266 10.348 1.00 74.35 C ATOM 568 O ASN A 35 16.321 -15.788 11.229 1.00 21.11 O ATOM 569 CB ASN A 35 17.113 -17.106 8.533 1.00 14.20 C ATOM 570 CG ASN A 35 18.274 -18.081 8.498 1.00 52.50 C ATOM 571 OD1 ASN A 35 18.085 -19.292 8.606 1.00 61.31 O ATOM 572 ND2 ASN A 35 19.484 -17.554 8.347 1.00 75.14 N ATOM 0 H ASN A 35 14.648 -17.703 8.021 1.00 32.21 H new ATOM 0 HA ASN A 35 16.484 -18.215 10.263 1.00 33.14 H new ATOM 0 HB2 ASN A 35 16.654 -17.056 7.545 1.00 14.20 H new ATOM 0 HB3 ASN A 35 17.487 -16.108 8.762 1.00 14.20 H new ATOM 0 HD21 ASN A 35 20.304 -18.160 8.317 1.00 75.14 H new ATOM 0 HD22 ASN A 35 19.593 -16.543 8.261 1.00 75.14 H new ATOM 579 N GLY A 36 14.425 -15.758 10.019 1.00 51.32 N ATOM 580 CA GLY A 36 13.906 -14.587 10.701 1.00 55.43 C ATOM 581 C GLY A 36 14.691 -13.331 10.377 1.00 73.24 C ATOM 582 O GLY A 36 14.501 -12.291 11.007 1.00 53.43 O ATOM 0 H GLY A 36 13.817 -16.136 9.293 1.00 51.32 H new ATOM 0 HA2 GLY A 36 12.862 -14.441 10.423 1.00 55.43 H new ATOM 0 HA3 GLY A 36 13.928 -14.758 11.777 1.00 55.43 H new ATOM 586 N LYS A 37 15.577 -13.428 9.392 1.00 45.42 N ATOM 587 CA LYS A 37 16.396 -12.292 8.984 1.00 13.44 C ATOM 588 C LYS A 37 16.351 -12.104 7.471 1.00 3.13 C ATOM 589 O LYS A 37 16.909 -12.904 6.720 1.00 4.15 O ATOM 590 CB LYS A 37 17.843 -12.489 9.442 1.00 14.33 C ATOM 591 CG LYS A 37 18.806 -11.462 8.872 1.00 62.41 C ATOM 592 CD LYS A 37 18.376 -10.045 9.210 1.00 12.01 C ATOM 593 CE LYS A 37 18.361 -9.810 10.713 1.00 61.52 C ATOM 594 NZ LYS A 37 19.711 -9.988 11.315 1.00 5.11 N ATOM 0 H LYS A 37 15.747 -14.282 8.861 1.00 45.42 H new ATOM 0 HA LYS A 37 15.991 -11.397 9.456 1.00 13.44 H new ATOM 0 HB2 LYS A 37 17.880 -12.445 10.530 1.00 14.33 H new ATOM 0 HB3 LYS A 37 18.175 -13.486 9.152 1.00 14.33 H new ATOM 0 HG2 LYS A 37 19.806 -11.643 9.265 1.00 62.41 H new ATOM 0 HG3 LYS A 37 18.863 -11.577 7.790 1.00 62.41 H new ATOM 0 HD2 LYS A 37 19.054 -9.335 8.737 1.00 12.01 H new ATOM 0 HD3 LYS A 37 17.383 -9.858 8.802 1.00 12.01 H new ATOM 0 HE2 LYS A 37 18.001 -8.802 10.920 1.00 61.52 H new ATOM 0 HE3 LYS A 37 17.660 -10.501 11.182 1.00 61.52 H new ATOM 0 HZ1 LYS A 37 19.702 -9.642 12.296 1.00 5.11 H new ATOM 0 HZ2 LYS A 37 19.965 -10.996 11.306 1.00 5.11 H new ATOM 0 HZ3 LYS A 37 20.410 -9.450 10.764 1.00 5.11 H new ATOM 608 N SER A 38 15.685 -11.041 7.031 1.00 63.44 N ATOM 609 CA SER A 38 15.566 -10.750 5.607 1.00 65.23 C ATOM 610 C SER A 38 16.941 -10.538 4.979 1.00 32.21 C ATOM 611 O SER A 38 17.622 -9.554 5.266 1.00 23.03 O ATOM 612 CB SER A 38 14.697 -9.510 5.389 1.00 61.30 C ATOM 613 OG SER A 38 15.389 -8.331 5.760 1.00 1.41 O ATOM 0 H SER A 38 15.220 -10.367 7.640 1.00 63.44 H new ATOM 0 HA SER A 38 15.093 -11.606 5.125 1.00 65.23 H new ATOM 0 HB2 SER A 38 14.402 -9.448 4.341 1.00 61.30 H new ATOM 0 HB3 SER A 38 13.781 -9.597 5.973 1.00 61.30 H new ATOM 0 HG SER A 38 16.324 -8.548 5.955 1.00 1.41 H new ATOM 619 N VAL A 39 17.342 -11.470 4.120 1.00 50.33 N ATOM 620 CA VAL A 39 18.634 -11.386 3.450 1.00 41.15 C ATOM 621 C VAL A 39 18.462 -11.195 1.947 1.00 44.12 C ATOM 622 O VAL A 39 18.865 -12.044 1.152 1.00 1.35 O ATOM 623 CB VAL A 39 19.480 -12.648 3.702 1.00 3.12 C ATOM 624 CG1 VAL A 39 20.143 -12.581 5.069 1.00 25.44 C ATOM 625 CG2 VAL A 39 18.622 -13.898 3.577 1.00 44.12 C ATOM 0 H VAL A 39 16.791 -12.292 3.872 1.00 50.33 H new ATOM 0 HA VAL A 39 19.151 -10.522 3.867 1.00 41.15 H new ATOM 0 HB VAL A 39 20.264 -12.696 2.946 1.00 3.12 H new ATOM 0 HG11 VAL A 39 20.737 -13.481 5.230 1.00 25.44 H new ATOM 0 HG12 VAL A 39 20.791 -11.706 5.117 1.00 25.44 H new ATOM 0 HG13 VAL A 39 19.377 -12.508 5.842 1.00 25.44 H new ATOM 0 HG21 VAL A 39 19.236 -14.780 3.758 1.00 44.12 H new ATOM 0 HG22 VAL A 39 17.816 -13.860 4.309 1.00 44.12 H new ATOM 0 HG23 VAL A 39 18.199 -13.950 2.574 1.00 44.12 H new ATOM 635 N GLY A 40 17.861 -10.073 1.563 1.00 3.41 N ATOM 636 CA GLY A 40 17.647 -9.790 0.156 1.00 50.40 C ATOM 637 C GLY A 40 17.247 -8.349 -0.091 1.00 40.52 C ATOM 638 O GLY A 40 16.333 -7.832 0.551 1.00 25.04 O ATOM 0 H GLY A 40 17.518 -9.355 2.201 1.00 3.41 H new ATOM 0 HA2 GLY A 40 18.559 -10.011 -0.399 1.00 50.40 H new ATOM 0 HA3 GLY A 40 16.871 -10.451 -0.230 1.00 50.40 H new ATOM 642 N ALA A 41 17.934 -7.697 -1.024 1.00 72.21 N ATOM 643 CA ALA A 41 17.645 -6.307 -1.355 1.00 32.33 C ATOM 644 C ALA A 41 17.981 -6.008 -2.812 1.00 31.23 C ATOM 645 O ALA A 41 19.142 -6.074 -3.217 1.00 14.21 O ATOM 646 CB ALA A 41 18.414 -5.374 -0.431 1.00 61.32 C ATOM 0 H ALA A 41 18.695 -8.110 -1.564 1.00 72.21 H new ATOM 0 HA ALA A 41 16.577 -6.140 -1.215 1.00 32.33 H new ATOM 0 HB1 ALA A 41 18.189 -4.339 -0.689 1.00 61.32 H new ATOM 0 HB2 ALA A 41 18.121 -5.562 0.602 1.00 61.32 H new ATOM 0 HB3 ALA A 41 19.484 -5.551 -0.543 1.00 61.32 H new ATOM 652 N ARG A 42 16.958 -5.680 -3.595 1.00 23.43 N ATOM 653 CA ARG A 42 17.146 -5.373 -5.008 1.00 32.25 C ATOM 654 C ARG A 42 16.053 -4.433 -5.509 1.00 64.11 C ATOM 655 O ARG A 42 15.012 -4.280 -4.871 1.00 54.23 O ATOM 656 CB ARG A 42 17.146 -6.660 -5.835 1.00 41.44 C ATOM 657 CG ARG A 42 18.534 -7.233 -6.069 1.00 41.14 C ATOM 658 CD ARG A 42 19.392 -6.294 -6.903 1.00 14.40 C ATOM 659 NE ARG A 42 18.720 -5.887 -8.134 1.00 71.14 N ATOM 660 CZ ARG A 42 19.203 -4.972 -8.967 1.00 53.32 C ATOM 661 NH1 ARG A 42 20.355 -4.371 -8.702 1.00 73.41 N ATOM 662 NH2 ARG A 42 18.533 -4.656 -10.068 1.00 50.42 N ATOM 0 H ARG A 42 15.991 -5.620 -3.275 1.00 23.43 H new ATOM 0 HA ARG A 42 18.109 -4.876 -5.122 1.00 32.25 H new ATOM 0 HB2 ARG A 42 16.534 -7.407 -5.329 1.00 41.44 H new ATOM 0 HB3 ARG A 42 16.676 -6.463 -6.799 1.00 41.44 H new ATOM 0 HG2 ARG A 42 19.019 -7.416 -5.110 1.00 41.14 H new ATOM 0 HG3 ARG A 42 18.451 -8.196 -6.573 1.00 41.14 H new ATOM 0 HD2 ARG A 42 19.638 -5.410 -6.315 1.00 14.40 H new ATOM 0 HD3 ARG A 42 20.333 -6.786 -7.149 1.00 14.40 H new ATOM 0 HE ARG A 42 17.831 -6.330 -8.367 1.00 71.14 H new ATOM 0 HH11 ARG A 42 20.873 -4.611 -7.857 1.00 73.41 H new ATOM 0 HH12 ARG A 42 20.723 -3.669 -9.344 1.00 73.41 H new ATOM 0 HH21 ARG A 42 17.646 -5.116 -10.275 1.00 50.42 H new ATOM 0 HH22 ARG A 42 18.905 -3.953 -10.707 1.00 50.42 H new ATOM 676 N ASP A 43 16.300 -3.806 -6.654 1.00 74.41 N ATOM 677 CA ASP A 43 15.337 -2.882 -7.242 1.00 2.41 C ATOM 678 C ASP A 43 15.147 -3.167 -8.728 1.00 62.13 C ATOM 679 O ASP A 43 16.117 -3.346 -9.466 1.00 31.34 O ATOM 680 CB ASP A 43 15.798 -1.437 -7.042 1.00 62.01 C ATOM 681 CG ASP A 43 15.531 -0.933 -5.638 1.00 14.15 C ATOM 682 OD1 ASP A 43 14.358 -0.966 -5.208 1.00 62.41 O ATOM 683 OD2 ASP A 43 16.494 -0.506 -4.967 1.00 53.25 O ATOM 0 H ASP A 43 17.158 -3.921 -7.193 1.00 74.41 H new ATOM 0 HA ASP A 43 14.381 -3.024 -6.739 1.00 2.41 H new ATOM 0 HB2 ASP A 43 16.865 -1.367 -7.253 1.00 62.01 H new ATOM 0 HB3 ASP A 43 15.288 -0.794 -7.759 1.00 62.01 H new ATOM 688 N PHE A 44 13.892 -3.209 -9.162 1.00 12.11 N ATOM 689 CA PHE A 44 13.574 -3.475 -10.560 1.00 43.21 C ATOM 690 C PHE A 44 12.921 -2.259 -11.210 1.00 41.43 C ATOM 691 O PHE A 44 12.729 -1.226 -10.568 1.00 3.00 O ATOM 692 CB PHE A 44 12.647 -4.687 -10.673 1.00 45.01 C ATOM 693 CG PHE A 44 13.380 -5.988 -10.836 1.00 73.21 C ATOM 694 CD1 PHE A 44 14.472 -6.288 -10.039 1.00 23.22 C ATOM 695 CD2 PHE A 44 12.976 -6.911 -11.787 1.00 75.33 C ATOM 696 CE1 PHE A 44 15.148 -7.485 -10.186 1.00 1.00 C ATOM 697 CE2 PHE A 44 13.647 -8.110 -11.939 1.00 1.33 C ATOM 698 CZ PHE A 44 14.735 -8.396 -11.138 1.00 24.40 C ATOM 0 H PHE A 44 13.078 -3.062 -8.565 1.00 12.11 H new ATOM 0 HA PHE A 44 14.506 -3.689 -11.084 1.00 43.21 H new ATOM 0 HB2 PHE A 44 12.022 -4.741 -9.782 1.00 45.01 H new ATOM 0 HB3 PHE A 44 11.979 -4.546 -11.523 1.00 45.01 H new ATOM 0 HD1 PHE A 44 14.800 -5.578 -9.294 1.00 23.22 H new ATOM 0 HD2 PHE A 44 12.127 -6.691 -12.417 1.00 75.33 H new ATOM 0 HE1 PHE A 44 15.998 -7.707 -9.557 1.00 1.00 H new ATOM 0 HE2 PHE A 44 13.321 -8.822 -12.683 1.00 1.33 H new ATOM 0 HZ PHE A 44 15.262 -9.331 -11.256 1.00 24.40 H new ATOM 708 N ASP A 45 12.582 -2.389 -12.488 1.00 64.11 N ATOM 709 CA ASP A 45 11.950 -1.302 -13.226 1.00 42.04 C ATOM 710 C ASP A 45 10.527 -1.674 -13.629 1.00 73.22 C ATOM 711 O ASP A 45 9.577 -0.952 -13.327 1.00 34.43 O ATOM 712 CB ASP A 45 12.771 -0.956 -14.470 1.00 23.24 C ATOM 713 CG ASP A 45 14.058 -0.231 -14.130 1.00 44.40 C ATOM 714 OD1 ASP A 45 14.095 0.456 -13.087 1.00 44.24 O ATOM 715 OD2 ASP A 45 15.029 -0.350 -14.906 1.00 70.23 O ATOM 0 H ASP A 45 12.734 -3.237 -13.034 1.00 64.11 H new ATOM 0 HA ASP A 45 11.908 -0.430 -12.574 1.00 42.04 H new ATOM 0 HB2 ASP A 45 13.006 -1.871 -15.013 1.00 23.24 H new ATOM 0 HB3 ASP A 45 12.172 -0.335 -15.136 1.00 23.24 H new ATOM 720 N SER A 46 10.387 -2.805 -14.314 1.00 44.20 N ATOM 721 CA SER A 46 9.080 -3.271 -14.763 1.00 5.42 C ATOM 722 C SER A 46 8.704 -4.579 -14.074 1.00 11.33 C ATOM 723 O SER A 46 9.535 -5.474 -13.916 1.00 42.40 O ATOM 724 CB SER A 46 9.077 -3.461 -16.281 1.00 21.33 C ATOM 725 OG SER A 46 7.783 -3.249 -16.819 1.00 3.15 O ATOM 0 H SER A 46 11.163 -3.416 -14.570 1.00 44.20 H new ATOM 0 HA SER A 46 8.341 -2.515 -14.497 1.00 5.42 H new ATOM 0 HB2 SER A 46 9.783 -2.768 -16.739 1.00 21.33 H new ATOM 0 HB3 SER A 46 9.415 -4.468 -16.525 1.00 21.33 H new ATOM 0 HG SER A 46 7.808 -3.375 -17.791 1.00 3.15 H new ATOM 731 N THR A 47 7.443 -4.683 -13.664 1.00 64.10 N ATOM 732 CA THR A 47 6.955 -5.880 -12.991 1.00 2.13 C ATOM 733 C THR A 47 7.087 -7.107 -13.886 1.00 1.32 C ATOM 734 O THR A 47 7.229 -8.228 -13.399 1.00 64.04 O ATOM 735 CB THR A 47 5.483 -5.724 -12.566 1.00 32.32 C ATOM 736 OG1 THR A 47 5.119 -4.339 -12.557 1.00 61.34 O ATOM 737 CG2 THR A 47 5.251 -6.323 -11.187 1.00 5.04 C ATOM 0 H THR A 47 6.742 -3.952 -13.787 1.00 64.10 H new ATOM 0 HA THR A 47 7.570 -6.016 -12.101 1.00 2.13 H new ATOM 0 HB THR A 47 4.862 -6.258 -13.286 1.00 32.32 H new ATOM 0 HG1 THR A 47 4.181 -4.249 -12.287 1.00 61.34 H new ATOM 0 HG21 THR A 47 4.204 -6.201 -10.909 1.00 5.04 H new ATOM 0 HG22 THR A 47 5.500 -7.384 -11.205 1.00 5.04 H new ATOM 0 HG23 THR A 47 5.882 -5.814 -10.458 1.00 5.04 H new ATOM 745 N GLU A 48 7.039 -6.886 -15.196 1.00 3.12 N ATOM 746 CA GLU A 48 7.154 -7.975 -16.158 1.00 75.42 C ATOM 747 C GLU A 48 8.413 -8.798 -15.902 1.00 31.13 C ATOM 748 O GLU A 48 8.341 -10.004 -15.668 1.00 61.34 O ATOM 749 CB GLU A 48 7.173 -7.425 -17.586 1.00 12.34 C ATOM 750 CG GLU A 48 7.135 -8.504 -18.655 1.00 5.32 C ATOM 751 CD GLU A 48 6.654 -7.981 -19.994 1.00 72.23 C ATOM 752 OE1 GLU A 48 5.881 -7.001 -20.006 1.00 53.22 O ATOM 753 OE2 GLU A 48 7.051 -8.553 -21.031 1.00 72.41 O ATOM 0 H GLU A 48 6.921 -5.963 -15.615 1.00 3.12 H new ATOM 0 HA GLU A 48 6.286 -8.624 -16.038 1.00 75.42 H new ATOM 0 HB2 GLU A 48 6.319 -6.761 -17.722 1.00 12.34 H new ATOM 0 HB3 GLU A 48 8.071 -6.822 -17.722 1.00 12.34 H new ATOM 0 HG2 GLU A 48 8.132 -8.930 -18.772 1.00 5.32 H new ATOM 0 HG3 GLU A 48 6.480 -9.311 -18.328 1.00 5.32 H new ATOM 760 N GLN A 49 9.565 -8.136 -15.947 1.00 75.15 N ATOM 761 CA GLN A 49 10.840 -8.806 -15.721 1.00 73.25 C ATOM 762 C GLN A 49 10.930 -9.337 -14.295 1.00 22.33 C ATOM 763 O GLN A 49 11.633 -10.313 -14.027 1.00 42.25 O ATOM 764 CB GLN A 49 11.999 -7.847 -15.996 1.00 24.22 C ATOM 765 CG GLN A 49 11.884 -6.525 -15.255 1.00 54.20 C ATOM 766 CD GLN A 49 13.226 -5.853 -15.048 1.00 5.54 C ATOM 767 OE1 GLN A 49 14.136 -6.428 -14.449 1.00 13.43 O ATOM 768 NE2 GLN A 49 13.358 -4.628 -15.543 1.00 44.42 N ATOM 0 H GLN A 49 9.641 -7.137 -16.138 1.00 75.15 H new ATOM 0 HA GLN A 49 10.906 -9.650 -16.408 1.00 73.25 H new ATOM 0 HB2 GLN A 49 12.934 -8.331 -15.715 1.00 24.22 H new ATOM 0 HB3 GLN A 49 12.051 -7.650 -17.067 1.00 24.22 H new ATOM 0 HG2 GLN A 49 11.229 -5.856 -15.813 1.00 54.20 H new ATOM 0 HG3 GLN A 49 11.414 -6.696 -14.286 1.00 54.20 H new ATOM 0 HE21 GLN A 49 12.578 -4.189 -16.032 1.00 44.42 H new ATOM 0 HE22 GLN A 49 14.239 -4.126 -15.434 1.00 44.42 H new ATOM 777 N LEU A 50 10.215 -8.690 -13.381 1.00 42.23 N ATOM 778 CA LEU A 50 10.215 -9.097 -11.980 1.00 52.34 C ATOM 779 C LEU A 50 9.895 -10.582 -11.845 1.00 24.01 C ATOM 780 O LEU A 50 10.716 -11.361 -11.361 1.00 40.03 O ATOM 781 CB LEU A 50 9.199 -8.271 -11.189 1.00 50.33 C ATOM 782 CG LEU A 50 9.446 -8.166 -9.684 1.00 11.30 C ATOM 783 CD1 LEU A 50 10.496 -7.107 -9.388 1.00 4.40 C ATOM 784 CD2 LEU A 50 8.149 -7.853 -8.951 1.00 43.03 C ATOM 0 H LEU A 50 9.628 -7.881 -13.585 1.00 42.23 H new ATOM 0 HA LEU A 50 11.212 -8.920 -11.576 1.00 52.34 H new ATOM 0 HB2 LEU A 50 9.177 -7.264 -11.605 1.00 50.33 H new ATOM 0 HB3 LEU A 50 8.210 -8.702 -11.345 1.00 50.33 H new ATOM 0 HG LEU A 50 9.818 -9.127 -9.329 1.00 11.30 H new ATOM 0 HD11 LEU A 50 10.658 -7.047 -8.312 1.00 4.40 H new ATOM 0 HD12 LEU A 50 11.431 -7.373 -9.882 1.00 4.40 H new ATOM 0 HD13 LEU A 50 10.153 -6.141 -9.758 1.00 4.40 H new ATOM 0 HD21 LEU A 50 8.344 -7.782 -7.881 1.00 43.03 H new ATOM 0 HD22 LEU A 50 7.747 -6.906 -9.310 1.00 43.03 H new ATOM 0 HD23 LEU A 50 7.426 -8.647 -9.136 1.00 43.03 H new ATOM 796 N GLU A 51 8.699 -10.967 -12.277 1.00 54.33 N ATOM 797 CA GLU A 51 8.272 -12.359 -12.205 1.00 63.31 C ATOM 798 C GLU A 51 9.151 -13.244 -13.085 1.00 41.40 C ATOM 799 O GLU A 51 9.297 -14.440 -12.833 1.00 13.44 O ATOM 800 CB GLU A 51 6.809 -12.491 -12.631 1.00 53.44 C ATOM 801 CG GLU A 51 5.875 -11.540 -11.901 1.00 75.35 C ATOM 802 CD GLU A 51 4.472 -11.545 -12.477 1.00 14.31 C ATOM 803 OE1 GLU A 51 4.325 -11.255 -13.683 1.00 32.50 O ATOM 804 OE2 GLU A 51 3.521 -11.837 -11.722 1.00 11.21 O ATOM 0 H GLU A 51 8.008 -10.334 -12.681 1.00 54.33 H new ATOM 0 HA GLU A 51 8.372 -12.689 -11.171 1.00 63.31 H new ATOM 0 HB2 GLU A 51 6.734 -12.309 -13.703 1.00 53.44 H new ATOM 0 HB3 GLU A 51 6.480 -13.515 -12.457 1.00 53.44 H new ATOM 0 HG2 GLU A 51 5.832 -11.816 -10.847 1.00 75.35 H new ATOM 0 HG3 GLU A 51 6.280 -10.529 -11.950 1.00 75.35 H new ATOM 811 N SER A 52 9.734 -12.646 -14.119 1.00 62.13 N ATOM 812 CA SER A 52 10.595 -13.379 -15.040 1.00 21.31 C ATOM 813 C SER A 52 11.908 -13.765 -14.365 1.00 41.14 C ATOM 814 O SER A 52 12.568 -14.723 -14.769 1.00 13.22 O ATOM 815 CB SER A 52 10.877 -12.539 -16.287 1.00 11.11 C ATOM 816 OG SER A 52 11.428 -13.333 -17.323 1.00 45.20 O ATOM 0 H SER A 52 9.626 -11.656 -14.340 1.00 62.13 H new ATOM 0 HA SER A 52 10.076 -14.291 -15.335 1.00 21.31 H new ATOM 0 HB2 SER A 52 9.954 -12.074 -16.633 1.00 11.11 H new ATOM 0 HB3 SER A 52 11.566 -11.732 -16.038 1.00 11.11 H new ATOM 0 HG SER A 52 11.598 -12.773 -18.109 1.00 45.20 H new ATOM 822 N TRP A 53 12.280 -13.012 -13.337 1.00 25.02 N ATOM 823 CA TRP A 53 13.515 -13.274 -12.605 1.00 72.12 C ATOM 824 C TRP A 53 13.368 -14.501 -11.712 1.00 10.34 C ATOM 825 O TRP A 53 14.192 -15.415 -11.755 1.00 52.31 O ATOM 826 CB TRP A 53 13.901 -12.057 -11.763 1.00 32.32 C ATOM 827 CG TRP A 53 14.651 -12.413 -10.515 1.00 44.51 C ATOM 828 CD1 TRP A 53 14.323 -12.069 -9.235 1.00 14.31 C ATOM 829 CD2 TRP A 53 15.858 -13.179 -10.430 1.00 13.14 C ATOM 830 NE1 TRP A 53 15.252 -12.575 -8.359 1.00 21.23 N ATOM 831 CE2 TRP A 53 16.203 -13.261 -9.066 1.00 44.05 C ATOM 832 CE3 TRP A 53 16.678 -13.805 -11.371 1.00 63.53 C ATOM 833 CZ2 TRP A 53 17.334 -13.943 -8.625 1.00 62.14 C ATOM 834 CZ3 TRP A 53 17.800 -14.482 -10.932 1.00 3.20 C ATOM 835 CH2 TRP A 53 18.120 -14.547 -9.569 1.00 73.12 C ATOM 0 H TRP A 53 11.745 -12.215 -12.991 1.00 25.02 H new ATOM 0 HA TRP A 53 14.304 -13.469 -13.331 1.00 72.12 H new ATOM 0 HB2 TRP A 53 14.512 -11.385 -12.366 1.00 32.32 H new ATOM 0 HB3 TRP A 53 12.998 -11.510 -11.492 1.00 32.32 H new ATOM 0 HD1 TRP A 53 13.460 -11.485 -8.953 1.00 14.31 H new ATOM 0 HE1 TRP A 53 15.236 -12.459 -7.346 1.00 21.23 H new ATOM 0 HE3 TRP A 53 16.440 -13.761 -12.423 1.00 63.53 H new ATOM 0 HZ2 TRP A 53 17.582 -13.994 -7.575 1.00 62.14 H new ATOM 0 HZ3 TRP A 53 18.441 -14.969 -11.652 1.00 3.20 H new ATOM 0 HH2 TRP A 53 19.004 -15.084 -9.258 1.00 73.12 H new ATOM 846 N PHE A 54 12.314 -14.515 -10.902 1.00 4.11 N ATOM 847 CA PHE A 54 12.061 -15.630 -9.997 1.00 55.10 C ATOM 848 C PHE A 54 11.535 -16.842 -10.761 1.00 51.41 C ATOM 849 O PHE A 54 11.376 -17.924 -10.196 1.00 73.14 O ATOM 850 CB PHE A 54 11.058 -15.220 -8.917 1.00 14.42 C ATOM 851 CG PHE A 54 10.763 -16.310 -7.927 1.00 20.21 C ATOM 852 CD1 PHE A 54 11.721 -16.708 -7.009 1.00 4.45 C ATOM 853 CD2 PHE A 54 9.528 -16.938 -7.914 1.00 53.54 C ATOM 854 CE1 PHE A 54 11.453 -17.711 -6.097 1.00 61.42 C ATOM 855 CE2 PHE A 54 9.254 -17.942 -7.005 1.00 55.30 C ATOM 856 CZ PHE A 54 10.217 -18.328 -6.095 1.00 23.44 C ATOM 0 H PHE A 54 11.622 -13.767 -10.854 1.00 4.11 H new ATOM 0 HA PHE A 54 13.004 -15.902 -9.523 1.00 55.10 H new ATOM 0 HB2 PHE A 54 11.445 -14.351 -8.384 1.00 14.42 H new ATOM 0 HB3 PHE A 54 10.128 -14.913 -9.395 1.00 14.42 H new ATOM 0 HD1 PHE A 54 12.689 -16.229 -7.006 1.00 4.45 H new ATOM 0 HD2 PHE A 54 8.770 -16.639 -8.623 1.00 53.54 H new ATOM 0 HE1 PHE A 54 12.209 -18.012 -5.387 1.00 61.42 H new ATOM 0 HE2 PHE A 54 8.288 -18.424 -7.007 1.00 55.30 H new ATOM 0 HZ PHE A 54 10.005 -19.111 -5.382 1.00 23.44 H new ATOM 866 N TYR A 55 11.267 -16.651 -12.048 1.00 13.00 N ATOM 867 CA TYR A 55 10.756 -17.726 -12.890 1.00 20.42 C ATOM 868 C TYR A 55 11.828 -18.216 -13.859 1.00 1.33 C ATOM 869 O TYR A 55 11.766 -19.340 -14.355 1.00 41.43 O ATOM 870 CB TYR A 55 9.527 -17.253 -13.668 1.00 61.40 C ATOM 871 CG TYR A 55 9.109 -18.198 -14.772 1.00 34.53 C ATOM 872 CD1 TYR A 55 9.656 -18.098 -16.044 1.00 44.25 C ATOM 873 CD2 TYR A 55 8.166 -19.193 -14.541 1.00 51.10 C ATOM 874 CE1 TYR A 55 9.276 -18.959 -17.056 1.00 3.42 C ATOM 875 CE2 TYR A 55 7.781 -20.059 -15.546 1.00 71.10 C ATOM 876 CZ TYR A 55 8.339 -19.938 -16.802 1.00 15.43 C ATOM 877 OH TYR A 55 7.958 -20.798 -17.806 1.00 43.01 O ATOM 0 H TYR A 55 11.395 -15.762 -12.531 1.00 13.00 H new ATOM 0 HA TYR A 55 10.471 -18.555 -12.243 1.00 20.42 H new ATOM 0 HB2 TYR A 55 8.695 -17.127 -12.975 1.00 61.40 H new ATOM 0 HB3 TYR A 55 9.735 -16.274 -14.099 1.00 61.40 H new ATOM 0 HD1 TYR A 55 10.392 -17.334 -16.246 1.00 44.25 H new ATOM 0 HD2 TYR A 55 7.727 -19.291 -13.559 1.00 51.10 H new ATOM 0 HE1 TYR A 55 9.711 -18.866 -18.040 1.00 3.42 H new ATOM 0 HE2 TYR A 55 7.047 -20.827 -15.350 1.00 71.10 H new ATOM 0 HH TYR A 55 7.291 -21.428 -17.461 1.00 43.01 H new ATOM 887 N GLY A 56 12.813 -17.362 -14.122 1.00 54.34 N ATOM 888 CA GLY A 56 13.886 -17.724 -15.030 1.00 55.11 C ATOM 889 C GLY A 56 14.978 -18.523 -14.347 1.00 53.02 C ATOM 890 O GLY A 56 15.950 -18.931 -14.984 1.00 53.14 O ATOM 0 H GLY A 56 12.887 -16.426 -13.723 1.00 54.34 H new ATOM 0 HA2 GLY A 56 13.478 -18.305 -15.857 1.00 55.11 H new ATOM 0 HA3 GLY A 56 14.316 -16.819 -15.459 1.00 55.11 H new ATOM 894 N LEU A 57 14.820 -18.746 -13.047 1.00 62.42 N ATOM 895 CA LEU A 57 15.802 -19.501 -12.276 1.00 41.01 C ATOM 896 C LEU A 57 15.678 -20.996 -12.551 1.00 64.15 C ATOM 897 O LEU A 57 14.625 -21.494 -12.951 1.00 3.25 O ATOM 898 CB LEU A 57 15.624 -19.230 -10.781 1.00 55.43 C ATOM 899 CG LEU A 57 16.084 -17.857 -10.289 1.00 31.35 C ATOM 900 CD1 LEU A 57 15.548 -17.584 -8.892 1.00 24.55 C ATOM 901 CD2 LEU A 57 17.603 -17.766 -10.307 1.00 32.13 C ATOM 0 H LEU A 57 14.022 -18.415 -12.505 1.00 62.42 H new ATOM 0 HA LEU A 57 16.796 -19.175 -12.583 1.00 41.01 H new ATOM 0 HB2 LEU A 57 14.569 -19.348 -10.534 1.00 55.43 H new ATOM 0 HB3 LEU A 57 16.169 -19.994 -10.226 1.00 55.43 H new ATOM 0 HG LEU A 57 15.687 -17.098 -10.963 1.00 31.35 H new ATOM 0 HD11 LEU A 57 15.885 -16.603 -8.558 1.00 24.55 H new ATOM 0 HD12 LEU A 57 14.458 -17.606 -8.910 1.00 24.55 H new ATOM 0 HD13 LEU A 57 15.916 -18.347 -8.206 1.00 24.55 H new ATOM 0 HD21 LEU A 57 17.913 -16.782 -9.954 1.00 32.13 H new ATOM 0 HD22 LEU A 57 18.021 -18.534 -9.656 1.00 32.13 H new ATOM 0 HD23 LEU A 57 17.964 -17.917 -11.324 1.00 32.13 H new ATOM 913 N PRO A 58 16.778 -21.731 -12.332 1.00 65.51 N ATOM 914 CA PRO A 58 16.818 -23.181 -12.547 1.00 53.04 C ATOM 915 C PRO A 58 15.985 -23.942 -11.521 1.00 61.25 C ATOM 916 O PRO A 58 15.183 -24.805 -11.876 1.00 14.34 O ATOM 917 CB PRO A 58 18.302 -23.523 -12.392 1.00 14.34 C ATOM 918 CG PRO A 58 18.849 -22.445 -11.520 1.00 70.34 C ATOM 919 CD PRO A 58 18.069 -21.205 -11.856 1.00 54.43 C ATOM 0 HA PRO A 58 16.402 -23.461 -13.515 1.00 53.04 H new ATOM 0 HB2 PRO A 58 18.437 -24.505 -11.939 1.00 14.34 H new ATOM 0 HB3 PRO A 58 18.806 -23.545 -13.358 1.00 14.34 H new ATOM 0 HG2 PRO A 58 18.739 -22.702 -10.466 1.00 70.34 H new ATOM 0 HG3 PRO A 58 19.913 -22.298 -11.703 1.00 70.34 H new ATOM 0 HD2 PRO A 58 17.944 -20.561 -10.986 1.00 54.43 H new ATOM 0 HD3 PRO A 58 18.568 -20.612 -12.622 1.00 54.43 H new ATOM 927 N GLY A 59 16.182 -23.617 -10.247 1.00 54.53 N ATOM 928 CA GLY A 59 15.441 -24.279 -9.190 1.00 21.14 C ATOM 929 C GLY A 59 13.941 -24.163 -9.372 1.00 32.30 C ATOM 930 O GLY A 59 13.471 -23.583 -10.350 1.00 55.32 O ATOM 0 H GLY A 59 16.842 -22.907 -9.928 1.00 54.53 H new ATOM 0 HA2 GLY A 59 15.720 -25.332 -9.160 1.00 21.14 H new ATOM 0 HA3 GLY A 59 15.722 -23.848 -8.229 1.00 21.14 H new ATOM 934 N SER A 60 13.187 -24.719 -8.429 1.00 11.44 N ATOM 935 CA SER A 60 11.731 -24.680 -8.492 1.00 54.24 C ATOM 936 C SER A 60 11.129 -24.558 -7.096 1.00 13.22 C ATOM 937 O SER A 60 11.254 -25.463 -6.272 1.00 43.02 O ATOM 938 CB SER A 60 11.196 -25.936 -9.183 1.00 14.12 C ATOM 939 OG SER A 60 11.279 -27.063 -8.327 1.00 51.44 O ATOM 0 H SER A 60 13.561 -25.202 -7.612 1.00 11.44 H new ATOM 0 HA SER A 60 11.441 -23.803 -9.071 1.00 54.24 H new ATOM 0 HB2 SER A 60 10.160 -25.777 -9.481 1.00 14.12 H new ATOM 0 HB3 SER A 60 11.765 -26.124 -10.094 1.00 14.12 H new ATOM 0 HG SER A 60 11.652 -26.791 -7.463 1.00 51.44 H new ATOM 945 N GLY A 61 10.474 -23.430 -6.837 1.00 34.01 N ATOM 946 CA GLY A 61 9.862 -23.209 -5.540 1.00 13.33 C ATOM 947 C GLY A 61 10.886 -23.086 -4.429 1.00 33.52 C ATOM 948 O GLY A 61 11.738 -22.198 -4.455 1.00 10.51 O ATOM 0 H GLY A 61 10.356 -22.666 -7.502 1.00 34.01 H new ATOM 0 HA2 GLY A 61 9.259 -22.302 -5.576 1.00 13.33 H new ATOM 0 HA3 GLY A 61 9.185 -24.033 -5.316 1.00 13.33 H new ATOM 952 N LEU A 62 10.803 -23.980 -3.449 1.00 54.40 N ATOM 953 CA LEU A 62 11.729 -23.967 -2.322 1.00 32.30 C ATOM 954 C LEU A 62 13.175 -23.997 -2.805 1.00 62.44 C ATOM 955 O LEU A 62 14.077 -23.504 -2.129 1.00 71.32 O ATOM 956 CB LEU A 62 11.461 -25.161 -1.403 1.00 42.15 C ATOM 957 CG LEU A 62 10.923 -24.829 -0.011 1.00 74.14 C ATOM 958 CD1 LEU A 62 9.419 -25.049 0.045 1.00 11.15 C ATOM 959 CD2 LEU A 62 11.626 -25.667 1.046 1.00 3.33 C ATOM 0 H LEU A 62 10.104 -24.722 -3.412 1.00 54.40 H new ATOM 0 HA LEU A 62 11.571 -23.044 -1.764 1.00 32.30 H new ATOM 0 HB2 LEU A 62 10.749 -25.822 -1.898 1.00 42.15 H new ATOM 0 HB3 LEU A 62 12.389 -25.721 -1.288 1.00 42.15 H new ATOM 0 HG LEU A 62 11.124 -23.778 0.195 1.00 74.14 H new ATOM 0 HD11 LEU A 62 9.053 -24.808 1.043 1.00 11.15 H new ATOM 0 HD12 LEU A 62 8.930 -24.406 -0.686 1.00 11.15 H new ATOM 0 HD13 LEU A 62 9.195 -26.091 -0.182 1.00 11.15 H new ATOM 0 HD21 LEU A 62 11.230 -25.417 2.031 1.00 3.33 H new ATOM 0 HD22 LEU A 62 11.456 -26.725 0.844 1.00 3.33 H new ATOM 0 HD23 LEU A 62 12.696 -25.460 1.022 1.00 3.33 H new ATOM 971 N GLY A 63 13.389 -24.578 -3.982 1.00 73.24 N ATOM 972 CA GLY A 63 14.727 -24.660 -4.537 1.00 40.25 C ATOM 973 C GLY A 63 15.224 -23.323 -5.051 1.00 61.23 C ATOM 974 O GLY A 63 16.430 -23.083 -5.111 1.00 0.03 O ATOM 0 H GLY A 63 12.659 -24.993 -4.561 1.00 73.24 H new ATOM 0 HA2 GLY A 63 15.412 -25.030 -3.774 1.00 40.25 H new ATOM 0 HA3 GLY A 63 14.736 -25.385 -5.351 1.00 40.25 H new ATOM 978 N ARG A 64 14.293 -22.452 -5.425 1.00 41.52 N ATOM 979 CA ARG A 64 14.644 -21.133 -5.940 1.00 35.14 C ATOM 980 C ARG A 64 14.952 -20.169 -4.798 1.00 51.52 C ATOM 981 O ARG A 64 15.429 -19.056 -5.025 1.00 21.25 O ATOM 982 CB ARG A 64 13.505 -20.578 -6.797 1.00 41.24 C ATOM 983 CG ARG A 64 13.352 -21.281 -8.136 1.00 44.03 C ATOM 984 CD ARG A 64 12.302 -20.605 -9.004 1.00 23.11 C ATOM 985 NE ARG A 64 11.679 -21.540 -9.937 1.00 42.22 N ATOM 986 CZ ARG A 64 10.494 -21.336 -10.500 1.00 55.41 C ATOM 987 NH1 ARG A 64 9.807 -20.235 -10.226 1.00 74.22 N ATOM 988 NH2 ARG A 64 9.993 -22.233 -11.340 1.00 31.04 N ATOM 0 H ARG A 64 13.291 -22.635 -5.381 1.00 41.52 H new ATOM 0 HA ARG A 64 15.537 -21.236 -6.557 1.00 35.14 H new ATOM 0 HB2 ARG A 64 12.570 -20.663 -6.243 1.00 41.24 H new ATOM 0 HB3 ARG A 64 13.677 -19.516 -6.971 1.00 41.24 H new ATOM 0 HG2 ARG A 64 14.309 -21.285 -8.658 1.00 44.03 H new ATOM 0 HG3 ARG A 64 13.074 -22.322 -7.972 1.00 44.03 H new ATOM 0 HD2 ARG A 64 11.535 -20.163 -8.368 1.00 23.11 H new ATOM 0 HD3 ARG A 64 12.763 -19.789 -9.561 1.00 23.11 H new ATOM 0 HE ARG A 64 12.182 -22.397 -10.169 1.00 42.22 H new ATOM 0 HH11 ARG A 64 10.189 -19.543 -9.582 1.00 74.22 H new ATOM 0 HH12 ARG A 64 8.897 -20.081 -10.660 1.00 74.22 H new ATOM 0 HH21 ARG A 64 10.518 -23.081 -11.554 1.00 31.04 H new ATOM 0 HH22 ARG A 64 9.082 -22.075 -11.772 1.00 31.04 H new ATOM 1002 N ILE A 65 14.675 -20.602 -3.573 1.00 64.21 N ATOM 1003 CA ILE A 65 14.924 -19.777 -2.397 1.00 72.52 C ATOM 1004 C ILE A 65 16.417 -19.668 -2.108 1.00 20.01 C ATOM 1005 O ILE A 65 16.872 -18.699 -1.502 1.00 12.34 O ATOM 1006 CB ILE A 65 14.211 -20.341 -1.154 1.00 24.25 C ATOM 1007 CG1 ILE A 65 12.777 -20.747 -1.500 1.00 44.33 C ATOM 1008 CG2 ILE A 65 14.221 -19.317 -0.028 1.00 73.32 C ATOM 1009 CD1 ILE A 65 11.927 -19.597 -1.994 1.00 30.21 C ATOM 0 H ILE A 65 14.278 -21.519 -3.369 1.00 64.21 H new ATOM 0 HA ILE A 65 14.526 -18.786 -2.616 1.00 72.52 H new ATOM 0 HB ILE A 65 14.747 -21.228 -0.817 1.00 24.25 H new ATOM 0 HG12 ILE A 65 12.802 -21.524 -2.264 1.00 44.33 H new ATOM 0 HG13 ILE A 65 12.308 -21.182 -0.618 1.00 44.33 H new ATOM 0 HG21 ILE A 65 13.713 -19.730 0.844 1.00 73.32 H new ATOM 0 HG22 ILE A 65 15.251 -19.073 0.233 1.00 73.32 H new ATOM 0 HG23 ILE A 65 13.706 -18.413 -0.353 1.00 73.32 H new ATOM 0 HD11 ILE A 65 10.923 -19.957 -2.220 1.00 30.21 H new ATOM 0 HD12 ILE A 65 11.871 -18.828 -1.223 1.00 30.21 H new ATOM 0 HD13 ILE A 65 12.373 -19.176 -2.895 1.00 30.21 H new ATOM 1021 N GLU A 66 17.174 -20.668 -2.548 1.00 24.13 N ATOM 1022 CA GLU A 66 18.617 -20.683 -2.336 1.00 41.04 C ATOM 1023 C GLU A 66 19.342 -19.984 -3.483 1.00 1.32 C ATOM 1024 O GLU A 66 20.433 -19.445 -3.304 1.00 2.51 O ATOM 1025 CB GLU A 66 19.120 -22.122 -2.202 1.00 45.32 C ATOM 1026 CG GLU A 66 18.754 -23.007 -3.381 1.00 71.32 C ATOM 1027 CD GLU A 66 19.683 -24.197 -3.528 1.00 55.02 C ATOM 1028 OE1 GLU A 66 19.961 -24.861 -2.508 1.00 3.24 O ATOM 1029 OE2 GLU A 66 20.131 -24.464 -4.663 1.00 34.13 O ATOM 0 H GLU A 66 16.813 -21.477 -3.053 1.00 24.13 H new ATOM 0 HA GLU A 66 18.829 -20.144 -1.412 1.00 41.04 H new ATOM 0 HB2 GLU A 66 20.204 -22.110 -2.090 1.00 45.32 H new ATOM 0 HB3 GLU A 66 18.711 -22.558 -1.291 1.00 45.32 H new ATOM 0 HG2 GLU A 66 17.731 -23.362 -3.260 1.00 71.32 H new ATOM 0 HG3 GLU A 66 18.780 -22.416 -4.296 1.00 71.32 H new ATOM 1036 N ASN A 67 18.727 -19.998 -4.661 1.00 33.32 N ATOM 1037 CA ASN A 67 19.313 -19.367 -5.837 1.00 41.04 C ATOM 1038 C ASN A 67 18.910 -17.898 -5.925 1.00 34.24 C ATOM 1039 O ASN A 67 19.757 -17.019 -6.080 1.00 71.41 O ATOM 1040 CB ASN A 67 18.879 -20.103 -7.107 1.00 21.05 C ATOM 1041 CG ASN A 67 20.058 -20.636 -7.898 1.00 10.13 C ATOM 1042 OD1 ASN A 67 20.740 -19.887 -8.597 1.00 4.44 O ATOM 1043 ND2 ASN A 67 20.302 -21.937 -7.791 1.00 4.20 N ATOM 0 H ASN A 67 17.823 -20.440 -4.826 1.00 33.32 H new ATOM 0 HA ASN A 67 20.398 -19.423 -5.745 1.00 41.04 H new ATOM 0 HB2 ASN A 67 18.222 -20.930 -6.838 1.00 21.05 H new ATOM 0 HB3 ASN A 67 18.299 -19.427 -7.735 1.00 21.05 H new ATOM 0 HD21 ASN A 67 21.082 -22.353 -8.300 1.00 4.20 H new ATOM 0 HD22 ASN A 67 19.710 -22.520 -7.199 1.00 4.20 H new ATOM 1050 N ALA A 68 17.610 -17.640 -5.823 1.00 31.31 N ATOM 1051 CA ALA A 68 17.094 -16.279 -5.887 1.00 50.45 C ATOM 1052 C ALA A 68 17.628 -15.434 -4.736 1.00 4.20 C ATOM 1053 O ALA A 68 18.285 -14.416 -4.953 1.00 64.24 O ATOM 1054 CB ALA A 68 15.573 -16.289 -5.875 1.00 35.52 C ATOM 0 H ALA A 68 16.895 -18.356 -5.696 1.00 31.31 H new ATOM 0 HA ALA A 68 17.436 -15.832 -6.820 1.00 50.45 H new ATOM 0 HB1 ALA A 68 15.202 -15.265 -5.923 1.00 35.52 H new ATOM 0 HB2 ALA A 68 15.206 -16.849 -6.735 1.00 35.52 H new ATOM 0 HB3 ALA A 68 15.219 -16.760 -4.958 1.00 35.52 H new ATOM 1060 N MET A 69 17.342 -15.862 -3.511 1.00 73.31 N ATOM 1061 CA MET A 69 17.795 -15.144 -2.325 1.00 74.42 C ATOM 1062 C MET A 69 19.294 -14.874 -2.393 1.00 24.51 C ATOM 1063 O MET A 69 19.738 -13.739 -2.226 1.00 61.33 O ATOM 1064 CB MET A 69 17.465 -15.943 -1.063 1.00 13.25 C ATOM 1065 CG MET A 69 17.674 -15.160 0.224 1.00 65.05 C ATOM 1066 SD MET A 69 16.467 -15.578 1.496 1.00 64.40 S ATOM 1067 CE MET A 69 17.037 -17.206 1.980 1.00 33.15 C ATOM 0 H MET A 69 16.799 -16.702 -3.313 1.00 73.31 H new ATOM 0 HA MET A 69 17.273 -14.188 -2.288 1.00 74.42 H new ATOM 0 HB2 MET A 69 16.428 -16.274 -1.113 1.00 13.25 H new ATOM 0 HB3 MET A 69 18.085 -16.839 -1.038 1.00 13.25 H new ATOM 0 HG2 MET A 69 18.677 -15.353 0.603 1.00 65.05 H new ATOM 0 HG3 MET A 69 17.615 -14.093 0.009 1.00 65.05 H new ATOM 0 HE1 MET A 69 16.247 -17.936 1.803 1.00 33.15 H new ATOM 0 HE2 MET A 69 17.916 -17.473 1.393 1.00 33.15 H new ATOM 0 HE3 MET A 69 17.295 -17.201 3.039 1.00 33.15 H new ATOM 1077 N ASN A 70 20.070 -15.926 -2.638 1.00 51.31 N ATOM 1078 CA ASN A 70 21.520 -15.801 -2.727 1.00 23.42 C ATOM 1079 C ASN A 70 21.914 -14.763 -3.773 1.00 63.32 C ATOM 1080 O ASN A 70 23.008 -14.202 -3.723 1.00 63.31 O ATOM 1081 CB ASN A 70 22.149 -17.153 -3.071 1.00 72.12 C ATOM 1082 CG ASN A 70 23.662 -17.084 -3.149 1.00 73.32 C ATOM 1083 OD1 ASN A 70 24.223 -16.615 -4.140 1.00 34.24 O ATOM 1084 ND2 ASN A 70 24.330 -17.553 -2.102 1.00 31.22 N ATOM 0 H ASN A 70 19.719 -16.873 -2.778 1.00 51.31 H new ATOM 0 HA ASN A 70 21.891 -15.471 -1.757 1.00 23.42 H new ATOM 0 HB2 ASN A 70 21.860 -17.887 -2.319 1.00 72.12 H new ATOM 0 HB3 ASN A 70 21.754 -17.502 -4.025 1.00 72.12 H new ATOM 0 HD21 ASN A 70 25.350 -17.534 -2.097 1.00 31.22 H new ATOM 0 HD22 ASN A 70 23.823 -17.933 -1.302 1.00 31.22 H new ATOM 1091 N GLU A 71 21.014 -14.513 -4.719 1.00 64.52 N ATOM 1092 CA GLU A 71 21.269 -13.543 -5.777 1.00 52.04 C ATOM 1093 C GLU A 71 20.874 -12.137 -5.333 1.00 25.41 C ATOM 1094 O GLU A 71 21.668 -11.200 -5.426 1.00 31.32 O ATOM 1095 CB GLU A 71 20.500 -13.924 -7.044 1.00 42.55 C ATOM 1096 CG GLU A 71 20.862 -13.077 -8.253 1.00 62.13 C ATOM 1097 CD GLU A 71 22.358 -12.875 -8.397 1.00 1.20 C ATOM 1098 OE1 GLU A 71 23.065 -13.863 -8.686 1.00 33.31 O ATOM 1099 OE2 GLU A 71 22.822 -11.729 -8.220 1.00 61.14 O ATOM 0 H GLU A 71 20.103 -14.968 -4.774 1.00 64.52 H new ATOM 0 HA GLU A 71 22.337 -13.551 -5.992 1.00 52.04 H new ATOM 0 HB2 GLU A 71 20.692 -14.972 -7.274 1.00 42.55 H new ATOM 0 HB3 GLU A 71 19.431 -13.831 -6.852 1.00 42.55 H new ATOM 0 HG2 GLU A 71 20.475 -13.553 -9.154 1.00 62.13 H new ATOM 0 HG3 GLU A 71 20.374 -12.106 -8.171 1.00 62.13 H new ATOM 1106 N ILE A 72 19.644 -11.999 -4.851 1.00 21.32 N ATOM 1107 CA ILE A 72 19.144 -10.709 -4.392 1.00 25.24 C ATOM 1108 C ILE A 72 19.904 -10.233 -3.158 1.00 33.23 C ATOM 1109 O ILE A 72 19.888 -9.048 -2.826 1.00 24.02 O ATOM 1110 CB ILE A 72 17.641 -10.772 -4.063 1.00 22.31 C ATOM 1111 CG1 ILE A 72 16.849 -11.240 -5.285 1.00 53.44 C ATOM 1112 CG2 ILE A 72 17.145 -9.414 -3.591 1.00 12.04 C ATOM 1113 CD1 ILE A 72 17.056 -10.373 -6.508 1.00 4.24 C ATOM 0 H ILE A 72 18.975 -12.765 -4.768 1.00 21.32 H new ATOM 0 HA ILE A 72 19.299 -10.002 -5.207 1.00 25.24 H new ATOM 0 HB ILE A 72 17.490 -11.491 -3.258 1.00 22.31 H new ATOM 0 HG12 ILE A 72 17.136 -12.264 -5.523 1.00 53.44 H new ATOM 0 HG13 ILE A 72 15.788 -11.256 -5.036 1.00 53.44 H new ATOM 0 HG21 ILE A 72 16.081 -9.475 -3.362 1.00 12.04 H new ATOM 0 HG22 ILE A 72 17.692 -9.118 -2.696 1.00 12.04 H new ATOM 0 HG23 ILE A 72 17.306 -8.675 -4.376 1.00 12.04 H new ATOM 0 HD11 ILE A 72 16.464 -10.764 -7.336 1.00 4.24 H new ATOM 0 HD12 ILE A 72 16.742 -9.353 -6.288 1.00 4.24 H new ATOM 0 HD13 ILE A 72 18.111 -10.377 -6.783 1.00 4.24 H new ATOM 1125 N SER A 73 20.569 -11.165 -2.483 1.00 32.32 N ATOM 1126 CA SER A 73 21.333 -10.842 -1.284 1.00 2.21 C ATOM 1127 C SER A 73 22.734 -10.357 -1.647 1.00 15.12 C ATOM 1128 O SER A 73 23.563 -10.110 -0.771 1.00 50.33 O ATOM 1129 CB SER A 73 21.426 -12.063 -0.367 1.00 72.23 C ATOM 1130 OG SER A 73 21.704 -11.679 0.968 1.00 43.11 O ATOM 0 H SER A 73 20.594 -12.150 -2.746 1.00 32.32 H new ATOM 0 HA SER A 73 20.814 -10.041 -0.758 1.00 2.21 H new ATOM 0 HB2 SER A 73 20.489 -12.619 -0.401 1.00 72.23 H new ATOM 0 HB3 SER A 73 22.207 -12.733 -0.726 1.00 72.23 H new ATOM 0 HG SER A 73 22.422 -11.012 0.974 1.00 43.11 H new ATOM 1136 N ARG A 74 22.989 -10.223 -2.944 1.00 72.42 N ATOM 1137 CA ARG A 74 24.288 -9.769 -3.424 1.00 64.54 C ATOM 1138 C ARG A 74 24.273 -8.268 -3.698 1.00 71.43 C ATOM 1139 O ARG A 74 23.308 -7.577 -3.370 1.00 23.52 O ATOM 1140 CB ARG A 74 24.679 -10.527 -4.695 1.00 3.50 C ATOM 1141 CG ARG A 74 24.739 -12.034 -4.511 1.00 63.15 C ATOM 1142 CD ARG A 74 26.169 -12.547 -4.578 1.00 4.11 C ATOM 1143 NE ARG A 74 26.812 -12.213 -5.846 1.00 4.41 N ATOM 1144 CZ ARG A 74 28.117 -12.334 -6.063 1.00 23.33 C ATOM 1145 NH1 ARG A 74 28.914 -12.781 -5.101 1.00 54.52 N ATOM 1146 NH2 ARG A 74 28.628 -12.010 -7.244 1.00 11.23 N ATOM 0 H ARG A 74 22.313 -10.422 -3.681 1.00 72.42 H new ATOM 0 HA ARG A 74 25.025 -9.971 -2.647 1.00 64.54 H new ATOM 0 HB2 ARG A 74 23.962 -10.294 -5.482 1.00 3.50 H new ATOM 0 HB3 ARG A 74 25.652 -10.172 -5.035 1.00 3.50 H new ATOM 0 HG2 ARG A 74 24.300 -12.302 -3.550 1.00 63.15 H new ATOM 0 HG3 ARG A 74 24.141 -12.520 -5.282 1.00 63.15 H new ATOM 0 HD2 ARG A 74 26.745 -12.122 -3.756 1.00 4.11 H new ATOM 0 HD3 ARG A 74 26.173 -13.629 -4.444 1.00 4.11 H new ATOM 0 HE ARG A 74 26.227 -11.868 -6.607 1.00 4.41 H new ATOM 0 HH11 ARG A 74 28.525 -13.033 -4.192 1.00 54.52 H new ATOM 0 HH12 ARG A 74 29.916 -12.873 -5.270 1.00 54.52 H new ATOM 0 HH21 ARG A 74 28.019 -11.667 -7.987 1.00 11.23 H new ATOM 0 HH22 ARG A 74 29.630 -12.103 -7.409 1.00 11.23 H new