USER MOD reduce.3.24.130724 H: found=0, std=0, add=408, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 408 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 Single : A 6 HIS : no HD1:sc= -0.124 X(o=-0.12,f=-0.21) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= -0.129 X(o=-0.13,f=-0.13) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0.0162 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 MET CE :methyl 161:sc= -0.155 (180deg=-0.754) USER MOD Single : A 24 THR OG1 : rot 83:sc= 1.18 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 83:sc= 0.107 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 ASN : amide:sc= -0.921 K(o=-0.92,f=-3.6!) USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 39 THR OG1 : rot -116:sc= -0.0339 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 71 N ASP A 5 8.405 5.670 -6.031 1.00 12.34 N ATOM 72 CA ASP A 5 7.930 6.851 -6.743 1.00 31.03 C ATOM 73 C ASP A 5 6.862 7.581 -5.934 1.00 20.44 C ATOM 74 O ASP A 5 7.057 8.722 -5.515 1.00 41.23 O ATOM 75 CB ASP A 5 7.371 6.457 -8.111 1.00 13.23 C ATOM 76 CG ASP A 5 7.737 7.452 -9.194 1.00 40.32 C ATOM 77 OD1 ASP A 5 8.830 7.313 -9.783 1.00 52.30 O ATOM 78 OD2 ASP A 5 6.931 8.369 -9.454 1.00 13.50 O ATOM 0 HA ASP A 5 8.776 7.524 -6.885 1.00 31.03 H new ATOM 0 HB2 ASP A 5 7.748 5.472 -8.384 1.00 13.23 H new ATOM 0 HB3 ASP A 5 6.286 6.376 -8.047 1.00 13.23 H new ATOM 83 N HIS A 6 5.732 6.914 -5.718 1.00 2.34 N ATOM 84 CA HIS A 6 4.633 7.500 -4.959 1.00 34.41 C ATOM 85 C HIS A 6 5.002 7.637 -3.485 1.00 42.51 C ATOM 86 O HIS A 6 4.729 8.661 -2.860 1.00 15.42 O ATOM 87 CB HIS A 6 3.373 6.644 -5.103 1.00 45.31 C ATOM 88 CG HIS A 6 2.104 7.401 -4.861 1.00 1.43 C ATOM 89 ND1 HIS A 6 0.868 6.794 -4.787 1.00 2.41 N ATOM 90 CD2 HIS A 6 1.884 8.724 -4.673 1.00 70.33 C ATOM 91 CE1 HIS A 6 -0.057 7.711 -4.566 1.00 74.23 C ATOM 92 NE2 HIS A 6 0.533 8.890 -4.493 1.00 11.03 N ATOM 0 H HIS A 6 5.554 5.969 -6.057 1.00 2.34 H new ATOM 0 HA HIS A 6 4.437 8.494 -5.360 1.00 34.41 H new ATOM 0 HB2 HIS A 6 3.346 6.217 -6.106 1.00 45.31 H new ATOM 0 HB3 HIS A 6 3.428 5.810 -4.403 1.00 45.31 H new ATOM 0 HD2 HIS A 6 2.632 9.503 -4.666 1.00 70.33 H new ATOM 0 HE1 HIS A 6 -1.116 7.527 -4.463 1.00 74.23 H new ATOM 0 HE2 HIS A 6 0.062 9.780 -4.329 1.00 11.03 H new ATOM 100 N ALA A 7 5.625 6.599 -2.936 1.00 53.35 N ATOM 101 CA ALA A 7 6.033 6.605 -1.537 1.00 54.41 C ATOM 102 C ALA A 7 6.858 7.846 -1.211 1.00 61.54 C ATOM 103 O ALA A 7 6.815 8.354 -0.091 1.00 44.52 O ATOM 104 CB ALA A 7 6.820 5.345 -1.211 1.00 75.43 C ATOM 0 H ALA A 7 5.858 5.743 -3.439 1.00 53.35 H new ATOM 0 HA ALA A 7 5.133 6.627 -0.922 1.00 54.41 H new ATOM 0 HB1 ALA A 7 7.118 5.363 -0.163 1.00 75.43 H new ATOM 0 HB2 ALA A 7 6.198 4.469 -1.396 1.00 75.43 H new ATOM 0 HB3 ALA A 7 7.709 5.298 -1.840 1.00 75.43 H new ATOM 110 N ARG A 8 7.609 8.326 -2.197 1.00 1.42 N ATOM 111 CA ARG A 8 8.446 9.506 -2.014 1.00 1.04 C ATOM 112 C ARG A 8 7.602 10.778 -2.020 1.00 65.51 C ATOM 113 O ARG A 8 7.714 11.614 -1.123 1.00 70.33 O ATOM 114 CB ARG A 8 9.508 9.580 -3.113 1.00 33.04 C ATOM 115 CG ARG A 8 10.333 10.856 -3.077 1.00 72.05 C ATOM 116 CD ARG A 8 11.800 10.579 -3.367 1.00 53.04 C ATOM 117 NE ARG A 8 12.573 10.389 -2.143 1.00 42.22 N ATOM 118 CZ ARG A 8 13.868 10.091 -2.131 1.00 35.24 C ATOM 119 NH1 ARG A 8 14.530 9.949 -3.270 1.00 52.34 N ATOM 120 NH2 ARG A 8 14.502 9.934 -0.976 1.00 22.21 N ATOM 0 H ARG A 8 7.655 7.916 -3.130 1.00 1.42 H new ATOM 0 HA ARG A 8 8.940 9.423 -1.046 1.00 1.04 H new ATOM 0 HB2 ARG A 8 10.175 8.723 -3.020 1.00 33.04 H new ATOM 0 HB3 ARG A 8 9.020 9.500 -4.084 1.00 33.04 H new ATOM 0 HG2 ARG A 8 9.943 11.563 -3.809 1.00 72.05 H new ATOM 0 HG3 ARG A 8 10.237 11.325 -2.098 1.00 72.05 H new ATOM 0 HD2 ARG A 8 11.885 9.689 -3.991 1.00 53.04 H new ATOM 0 HD3 ARG A 8 12.220 11.408 -3.936 1.00 53.04 H new ATOM 0 HE ARG A 8 12.093 10.490 -1.249 1.00 42.22 H new ATOM 0 HH11 ARG A 8 14.046 10.068 -4.160 1.00 52.34 H new ATOM 0 HH12 ARG A 8 15.524 9.720 -3.257 1.00 52.34 H new ATOM 0 HH21 ARG A 8 13.995 10.042 -0.097 1.00 22.21 H new ATOM 0 HH22 ARG A 8 15.496 9.705 -0.967 1.00 22.21 H new ATOM 134 N PHE A 9 6.759 10.917 -3.038 1.00 21.33 N ATOM 135 CA PHE A 9 5.898 12.087 -3.162 1.00 74.41 C ATOM 136 C PHE A 9 4.997 12.231 -1.939 1.00 0.51 C ATOM 137 O PHE A 9 4.729 13.342 -1.479 1.00 1.31 O ATOM 138 CB PHE A 9 5.045 11.986 -4.428 1.00 73.14 C ATOM 139 CG PHE A 9 5.300 13.091 -5.413 1.00 10.33 C ATOM 140 CD1 PHE A 9 4.270 13.922 -5.824 1.00 63.13 C ATOM 141 CD2 PHE A 9 6.570 13.299 -5.927 1.00 12.42 C ATOM 142 CE1 PHE A 9 4.502 14.940 -6.730 1.00 12.43 C ATOM 143 CE2 PHE A 9 6.807 14.316 -6.832 1.00 4.41 C ATOM 144 CZ PHE A 9 5.772 15.137 -7.235 1.00 0.11 C ATOM 0 H PHE A 9 6.654 10.234 -3.788 1.00 21.33 H new ATOM 0 HA PHE A 9 6.534 12.970 -3.229 1.00 74.41 H new ATOM 0 HB2 PHE A 9 5.238 11.028 -4.911 1.00 73.14 H new ATOM 0 HB3 PHE A 9 3.992 11.995 -4.148 1.00 73.14 H new ATOM 0 HD1 PHE A 9 3.275 13.773 -5.432 1.00 63.13 H new ATOM 0 HD2 PHE A 9 7.383 12.659 -5.617 1.00 12.42 H new ATOM 0 HE1 PHE A 9 3.691 15.581 -7.043 1.00 12.43 H new ATOM 0 HE2 PHE A 9 7.802 14.469 -7.224 1.00 4.41 H new ATOM 0 HZ PHE A 9 5.956 15.931 -7.943 1.00 0.11 H new ATOM 154 N LEU A 10 4.532 11.102 -1.417 1.00 62.20 N ATOM 155 CA LEU A 10 3.661 11.101 -0.247 1.00 52.11 C ATOM 156 C LEU A 10 4.419 11.555 0.997 1.00 75.25 C ATOM 157 O LEU A 10 3.949 12.414 1.741 1.00 15.44 O ATOM 158 CB LEU A 10 3.078 9.705 -0.022 1.00 33.01 C ATOM 159 CG LEU A 10 1.557 9.627 0.115 1.00 33.12 C ATOM 160 CD1 LEU A 10 0.989 8.575 -0.825 1.00 42.23 C ATOM 161 CD2 LEU A 10 1.166 9.325 1.555 1.00 72.35 C ATOM 0 H LEU A 10 4.744 10.175 -1.786 1.00 62.20 H new ATOM 0 HA LEU A 10 2.847 11.803 -0.430 1.00 52.11 H new ATOM 0 HB2 LEU A 10 3.381 9.068 -0.853 1.00 33.01 H new ATOM 0 HB3 LEU A 10 3.526 9.287 0.880 1.00 33.01 H new ATOM 0 HG LEU A 10 1.137 10.595 -0.160 1.00 33.12 H new ATOM 0 HD11 LEU A 10 -0.094 8.534 -0.713 1.00 42.23 H new ATOM 0 HD12 LEU A 10 1.238 8.834 -1.854 1.00 42.23 H new ATOM 0 HD13 LEU A 10 1.416 7.602 -0.582 1.00 42.23 H new ATOM 0 HD21 LEU A 10 0.080 9.273 1.634 1.00 72.35 H new ATOM 0 HD22 LEU A 10 1.598 8.371 1.857 1.00 72.35 H new ATOM 0 HD23 LEU A 10 1.540 10.115 2.207 1.00 72.35 H new ATOM 173 N GLN A 11 5.594 10.973 1.212 1.00 34.45 N ATOM 174 CA GLN A 11 6.417 11.319 2.365 1.00 33.12 C ATOM 175 C GLN A 11 6.658 12.823 2.430 1.00 40.44 C ATOM 176 O GLN A 11 6.855 13.386 3.507 1.00 2.40 O ATOM 177 CB GLN A 11 7.754 10.578 2.305 1.00 53.13 C ATOM 178 CG GLN A 11 8.587 10.722 3.568 1.00 34.22 C ATOM 179 CD GLN A 11 10.019 10.263 3.378 1.00 10.23 C ATOM 180 OE1 GLN A 11 10.351 9.106 3.635 1.00 65.44 O ATOM 181 NE2 GLN A 11 10.877 11.171 2.927 1.00 74.24 N ATOM 0 H GLN A 11 5.997 10.260 0.604 1.00 34.45 H new ATOM 0 HA GLN A 11 5.882 11.016 3.265 1.00 33.12 H new ATOM 0 HB2 GLN A 11 7.566 9.520 2.123 1.00 53.13 H new ATOM 0 HB3 GLN A 11 8.328 10.950 1.457 1.00 53.13 H new ATOM 0 HG2 GLN A 11 8.583 11.765 3.884 1.00 34.22 H new ATOM 0 HG3 GLN A 11 8.127 10.144 4.370 1.00 34.22 H new ATOM 0 HE21 GLN A 11 10.558 12.119 2.727 1.00 74.24 H new ATOM 0 HE22 GLN A 11 11.855 10.920 2.781 1.00 74.24 H new ATOM 190 N THR A 12 6.642 13.471 1.268 1.00 33.25 N ATOM 191 CA THR A 12 6.860 14.910 1.193 1.00 62.35 C ATOM 192 C THR A 12 5.624 15.678 1.645 1.00 11.22 C ATOM 193 O THR A 12 5.683 16.468 2.587 1.00 31.22 O ATOM 194 CB THR A 12 7.228 15.347 -0.238 1.00 15.41 C ATOM 195 OG1 THR A 12 8.552 14.908 -0.560 1.00 33.21 O ATOM 196 CG2 THR A 12 7.141 16.860 -0.380 1.00 61.51 C ATOM 0 H THR A 12 6.480 13.021 0.367 1.00 33.25 H new ATOM 0 HA THR A 12 7.690 15.140 1.861 1.00 62.35 H new ATOM 0 HB THR A 12 6.518 14.891 -0.928 1.00 15.41 H new ATOM 0 HG1 THR A 12 8.777 15.188 -1.472 1.00 33.21 H new ATOM 0 HG21 THR A 12 7.405 17.146 -1.398 1.00 61.51 H new ATOM 0 HG22 THR A 12 6.124 17.188 -0.163 1.00 61.51 H new ATOM 0 HG23 THR A 12 7.831 17.331 0.320 1.00 61.51 H new ATOM 204 N ALA A 13 4.505 15.441 0.969 1.00 51.24 N ATOM 205 CA ALA A 13 3.254 16.109 1.304 1.00 54.54 C ATOM 206 C ALA A 13 2.948 15.988 2.793 1.00 41.33 C ATOM 207 O ALA A 13 2.420 16.916 3.407 1.00 63.05 O ATOM 208 CB ALA A 13 2.111 15.534 0.480 1.00 40.11 C ATOM 0 H ALA A 13 4.439 14.791 0.186 1.00 51.24 H new ATOM 0 HA ALA A 13 3.362 17.167 1.067 1.00 54.54 H new ATOM 0 HB1 ALA A 13 1.183 16.042 0.741 1.00 40.11 H new ATOM 0 HB2 ALA A 13 2.318 15.678 -0.580 1.00 40.11 H new ATOM 0 HB3 ALA A 13 2.012 14.469 0.689 1.00 40.11 H new ATOM 214 N LYS A 14 3.282 14.839 3.369 1.00 64.32 N ATOM 215 CA LYS A 14 3.045 14.595 4.787 1.00 53.33 C ATOM 216 C LYS A 14 4.058 15.346 5.645 1.00 54.30 C ATOM 217 O LYS A 14 3.695 15.990 6.629 1.00 62.31 O ATOM 218 CB LYS A 14 3.118 13.096 5.087 1.00 14.41 C ATOM 219 CG LYS A 14 2.453 12.705 6.396 1.00 54.45 C ATOM 220 CD LYS A 14 1.064 12.133 6.166 1.00 71.10 C ATOM 221 CE LYS A 14 0.379 11.789 7.480 1.00 54.24 C ATOM 222 NZ LYS A 14 -1.081 12.080 7.436 1.00 33.52 N ATOM 0 H LYS A 14 3.718 14.061 2.875 1.00 64.32 H new ATOM 0 HA LYS A 14 2.047 14.960 5.031 1.00 53.33 H new ATOM 0 HB2 LYS A 14 2.647 12.547 4.272 1.00 14.41 H new ATOM 0 HB3 LYS A 14 4.164 12.790 5.115 1.00 14.41 H new ATOM 0 HG2 LYS A 14 3.069 11.970 6.913 1.00 54.45 H new ATOM 0 HG3 LYS A 14 2.385 13.578 7.046 1.00 54.45 H new ATOM 0 HD2 LYS A 14 0.459 12.854 5.617 1.00 71.10 H new ATOM 0 HD3 LYS A 14 1.135 11.239 5.547 1.00 71.10 H new ATOM 0 HE2 LYS A 14 0.533 10.733 7.704 1.00 54.24 H new ATOM 0 HE3 LYS A 14 0.839 12.357 8.289 1.00 54.24 H new ATOM 0 HZ1 LYS A 14 -1.512 11.832 8.349 1.00 33.52 H new ATOM 0 HZ2 LYS A 14 -1.228 13.092 7.247 1.00 33.52 H new ATOM 0 HZ3 LYS A 14 -1.524 11.519 6.681 1.00 33.52 H new ATOM 236 N ASN A 15 5.328 15.261 5.264 1.00 21.43 N ATOM 237 CA ASN A 15 6.393 15.933 5.999 1.00 2.31 C ATOM 238 C ASN A 15 6.150 17.438 6.054 1.00 53.41 C ATOM 239 O ASN A 15 6.672 18.130 6.929 1.00 55.23 O ATOM 240 CB ASN A 15 7.749 15.648 5.349 1.00 34.11 C ATOM 241 CG ASN A 15 8.840 16.567 5.861 1.00 4.43 C ATOM 242 OD1 ASN A 15 9.198 17.548 5.209 1.00 42.12 O ATOM 243 ND2 ASN A 15 9.376 16.253 7.035 1.00 13.23 N ATOM 0 H ASN A 15 5.645 14.733 4.451 1.00 21.43 H new ATOM 0 HA ASN A 15 6.397 15.546 7.018 1.00 2.31 H new ATOM 0 HB2 ASN A 15 8.030 14.613 5.541 1.00 34.11 H new ATOM 0 HB3 ASN A 15 7.661 15.759 4.268 1.00 34.11 H new ATOM 0 HD21 ASN A 15 10.115 16.835 7.430 1.00 13.23 H new ATOM 0 HD22 ASN A 15 9.049 15.430 7.541 1.00 13.23 H new ATOM 250 N ILE A 16 5.354 17.938 5.114 1.00 32.15 N ATOM 251 CA ILE A 16 5.040 19.360 5.057 1.00 51.10 C ATOM 252 C ILE A 16 4.049 19.749 6.149 1.00 71.12 C ATOM 253 O ILE A 16 4.311 20.645 6.951 1.00 5.44 O ATOM 254 CB ILE A 16 4.457 19.753 3.687 1.00 51.04 C ATOM 255 CG1 ILE A 16 5.490 19.518 2.582 1.00 35.23 C ATOM 256 CG2 ILE A 16 4.008 21.207 3.699 1.00 64.30 C ATOM 257 CD1 ILE A 16 4.874 19.211 1.235 1.00 21.10 C ATOM 0 H ILE A 16 4.915 17.379 4.382 1.00 32.15 H new ATOM 0 HA ILE A 16 5.976 19.896 5.212 1.00 51.10 H new ATOM 0 HB ILE A 16 3.588 19.127 3.486 1.00 51.04 H new ATOM 0 HG12 ILE A 16 6.121 20.402 2.491 1.00 35.23 H new ATOM 0 HG13 ILE A 16 6.139 18.692 2.872 1.00 35.23 H new ATOM 0 HG21 ILE A 16 3.598 21.469 2.724 1.00 64.30 H new ATOM 0 HG22 ILE A 16 3.243 21.345 4.463 1.00 64.30 H new ATOM 0 HG23 ILE A 16 4.861 21.849 3.919 1.00 64.30 H new ATOM 0 HD11 ILE A 16 5.664 19.056 0.500 1.00 21.10 H new ATOM 0 HD12 ILE A 16 4.266 18.309 1.310 1.00 21.10 H new ATOM 0 HD13 ILE A 16 4.247 20.046 0.923 1.00 21.10 H new ATOM 269 N THR A 17 2.908 19.067 6.175 1.00 52.11 N ATOM 270 CA THR A 17 1.877 19.340 7.168 1.00 0.04 C ATOM 271 C THR A 17 2.278 18.803 8.538 1.00 55.51 C ATOM 272 O THR A 17 1.793 19.277 9.565 1.00 24.13 O ATOM 273 CB THR A 17 0.527 18.720 6.762 1.00 53.43 C ATOM 274 OG1 THR A 17 0.446 18.615 5.336 1.00 73.00 O ATOM 275 CG2 THR A 17 -0.632 19.559 7.280 1.00 44.31 C ATOM 0 H THR A 17 2.675 18.321 5.519 1.00 52.11 H new ATOM 0 HA THR A 17 1.769 20.423 7.222 1.00 0.04 H new ATOM 0 HB THR A 17 0.461 17.726 7.204 1.00 53.43 H new ATOM 0 HG1 THR A 17 -0.414 18.218 5.086 1.00 73.00 H new ATOM 0 HG21 THR A 17 -1.575 19.101 6.981 1.00 44.31 H new ATOM 0 HG22 THR A 17 -0.584 19.614 8.368 1.00 44.31 H new ATOM 0 HG23 THR A 17 -0.568 20.564 6.863 1.00 44.31 H new ATOM 283 N GLU A 18 3.165 17.813 8.544 1.00 13.53 N ATOM 284 CA GLU A 18 3.630 17.213 9.789 1.00 15.22 C ATOM 285 C GLU A 18 4.686 18.090 10.455 1.00 43.03 C ATOM 286 O GLU A 18 4.713 18.228 11.678 1.00 63.32 O ATOM 287 CB GLU A 18 4.200 15.818 9.527 1.00 63.04 C ATOM 288 CG GLU A 18 4.879 15.200 10.738 1.00 42.34 C ATOM 289 CD GLU A 18 4.960 13.688 10.653 1.00 1.51 C ATOM 290 OE1 GLU A 18 5.131 13.166 9.532 1.00 62.14 O ATOM 291 OE2 GLU A 18 4.852 13.028 11.707 1.00 1.13 O ATOM 0 H GLU A 18 3.576 17.410 7.702 1.00 13.53 H new ATOM 0 HA GLU A 18 2.777 17.128 10.462 1.00 15.22 H new ATOM 0 HB2 GLU A 18 3.394 15.161 9.198 1.00 63.04 H new ATOM 0 HB3 GLU A 18 4.918 15.876 8.709 1.00 63.04 H new ATOM 0 HG2 GLU A 18 5.885 15.609 10.834 1.00 42.34 H new ATOM 0 HG3 GLU A 18 4.333 15.481 11.639 1.00 42.34 H new ATOM 298 N ARG A 19 5.555 18.680 9.641 1.00 43.25 N ATOM 299 CA ARG A 19 6.615 19.542 10.149 1.00 3.15 C ATOM 300 C ARG A 19 6.041 20.849 10.690 1.00 63.43 C ATOM 301 O ARG A 19 6.400 21.292 11.781 1.00 55.22 O ATOM 302 CB ARG A 19 7.635 19.837 9.048 1.00 52.42 C ATOM 303 CG ARG A 19 8.835 20.638 9.527 1.00 33.20 C ATOM 304 CD ARG A 19 9.447 21.453 8.399 1.00 65.33 C ATOM 305 NE ARG A 19 10.848 21.778 8.657 1.00 54.34 N ATOM 306 CZ ARG A 19 11.538 22.666 7.950 1.00 52.24 C ATOM 307 NH1 ARG A 19 10.960 23.314 6.947 1.00 22.22 N ATOM 308 NH2 ARG A 19 12.809 22.908 8.245 1.00 15.13 N ATOM 0 H ARG A 19 5.546 18.577 8.626 1.00 43.25 H new ATOM 0 HA ARG A 19 7.114 19.019 10.965 1.00 3.15 H new ATOM 0 HB2 ARG A 19 7.983 18.895 8.625 1.00 52.42 H new ATOM 0 HB3 ARG A 19 7.141 20.384 8.244 1.00 52.42 H new ATOM 0 HG2 ARG A 19 8.531 21.304 10.335 1.00 33.20 H new ATOM 0 HG3 ARG A 19 9.585 19.962 9.937 1.00 33.20 H new ATOM 0 HD2 ARG A 19 9.370 20.895 7.466 1.00 65.33 H new ATOM 0 HD3 ARG A 19 8.879 22.374 8.268 1.00 65.33 H new ATOM 0 HE ARG A 19 11.322 21.297 9.421 1.00 54.34 H new ATOM 0 HH11 ARG A 19 9.983 23.131 6.717 1.00 22.22 H new ATOM 0 HH12 ARG A 19 11.492 23.995 6.406 1.00 22.22 H new ATOM 0 HH21 ARG A 19 13.257 22.412 9.015 1.00 15.13 H new ATOM 0 HH22 ARG A 19 13.338 23.590 7.701 1.00 15.13 H new ATOM 322 N VAL A 20 5.149 21.461 9.918 1.00 73.30 N ATOM 323 CA VAL A 20 4.524 22.716 10.319 1.00 65.13 C ATOM 324 C VAL A 20 3.868 22.590 11.689 1.00 54.23 C ATOM 325 O VAL A 20 4.020 23.462 12.544 1.00 52.51 O ATOM 326 CB VAL A 20 3.467 23.169 9.294 1.00 3.24 C ATOM 327 CG1 VAL A 20 2.450 22.064 9.052 1.00 2.40 C ATOM 328 CG2 VAL A 20 2.781 24.443 9.765 1.00 24.33 C ATOM 0 H VAL A 20 4.843 21.108 9.011 1.00 73.30 H new ATOM 0 HA VAL A 20 5.316 23.463 10.367 1.00 65.13 H new ATOM 0 HB VAL A 20 3.968 23.381 8.350 1.00 3.24 H new ATOM 0 HG11 VAL A 20 1.711 22.402 8.325 1.00 2.40 H new ATOM 0 HG12 VAL A 20 2.958 21.179 8.668 1.00 2.40 H new ATOM 0 HG13 VAL A 20 1.951 21.817 9.989 1.00 2.40 H new ATOM 0 HG21 VAL A 20 2.037 24.749 9.029 1.00 24.33 H new ATOM 0 HG22 VAL A 20 2.291 24.260 10.722 1.00 24.33 H new ATOM 0 HG23 VAL A 20 3.522 25.233 9.882 1.00 24.33 H new ATOM 338 N SER A 21 3.137 21.498 11.891 1.00 52.54 N ATOM 339 CA SER A 21 2.453 21.259 13.156 1.00 3.43 C ATOM 340 C SER A 21 3.448 21.225 14.313 1.00 71.23 C ATOM 341 O SER A 21 3.340 22.001 15.261 1.00 4.25 O ATOM 342 CB SER A 21 1.674 19.944 13.099 1.00 23.01 C ATOM 343 OG SER A 21 1.107 19.632 14.359 1.00 14.15 O ATOM 0 H SER A 21 3.003 20.765 11.194 1.00 52.54 H new ATOM 0 HA SER A 21 1.755 22.079 13.324 1.00 3.43 H new ATOM 0 HB2 SER A 21 0.885 20.017 12.350 1.00 23.01 H new ATOM 0 HB3 SER A 21 2.338 19.138 12.786 1.00 23.01 H new ATOM 0 HG SER A 21 0.613 18.788 14.296 1.00 14.15 H new ATOM 349 N MET A 22 4.416 20.318 14.225 1.00 13.24 N ATOM 350 CA MET A 22 5.431 20.182 15.264 1.00 52.24 C ATOM 351 C MET A 22 6.194 21.490 15.453 1.00 74.44 C ATOM 352 O MET A 22 6.600 21.826 16.564 1.00 4.50 O ATOM 353 CB MET A 22 6.405 19.056 14.910 1.00 13.53 C ATOM 354 CG MET A 22 7.223 18.567 16.094 1.00 34.42 C ATOM 355 SD MET A 22 8.282 17.169 15.676 1.00 74.42 S ATOM 356 CE MET A 22 9.240 17.860 14.330 1.00 55.42 C ATOM 0 H MET A 22 4.519 19.667 13.446 1.00 13.24 H new ATOM 0 HA MET A 22 4.928 19.937 16.199 1.00 52.24 H new ATOM 0 HB2 MET A 22 5.844 18.218 14.495 1.00 13.53 H new ATOM 0 HB3 MET A 22 7.082 19.404 14.130 1.00 13.53 H new ATOM 0 HG2 MET A 22 7.839 19.385 16.468 1.00 34.42 H new ATOM 0 HG3 MET A 22 6.550 18.279 16.902 1.00 34.42 H new ATOM 0 HE1 MET A 22 10.145 17.269 14.186 1.00 55.42 H new ATOM 0 HE2 MET A 22 8.647 17.844 13.416 1.00 55.42 H new ATOM 0 HE3 MET A 22 9.512 18.888 14.568 1.00 55.42 H new ATOM 366 N ALA A 23 6.384 22.222 14.360 1.00 61.31 N ATOM 367 CA ALA A 23 7.096 23.493 14.406 1.00 24.54 C ATOM 368 C ALA A 23 6.294 24.544 15.166 1.00 44.05 C ATOM 369 O ALA A 23 6.744 25.066 16.187 1.00 72.15 O ATOM 370 CB ALA A 23 7.405 23.977 12.997 1.00 35.32 C ATOM 0 H ALA A 23 6.055 21.956 13.432 1.00 61.31 H new ATOM 0 HA ALA A 23 8.035 23.336 14.937 1.00 24.54 H new ATOM 0 HB1 ALA A 23 7.937 24.927 13.047 1.00 35.32 H new ATOM 0 HB2 ALA A 23 8.026 23.240 12.487 1.00 35.32 H new ATOM 0 HB3 ALA A 23 6.474 24.111 12.446 1.00 35.32 H new ATOM 376 N THR A 24 5.104 24.852 14.660 1.00 12.35 N ATOM 377 CA THR A 24 4.240 25.843 15.290 1.00 72.02 C ATOM 378 C THR A 24 3.993 25.505 16.756 1.00 41.53 C ATOM 379 O THR A 24 4.008 26.385 17.616 1.00 53.41 O ATOM 380 CB THR A 24 2.885 25.949 14.564 1.00 2.02 C ATOM 381 OG1 THR A 24 3.072 25.791 13.153 1.00 14.13 O ATOM 382 CG2 THR A 24 2.224 27.289 14.847 1.00 55.44 C ATOM 0 H THR A 24 4.717 24.430 13.816 1.00 12.35 H new ATOM 0 HA THR A 24 4.756 26.801 15.223 1.00 72.02 H new ATOM 0 HB THR A 24 2.235 25.156 14.934 1.00 2.02 H new ATOM 0 HG1 THR A 24 3.103 24.837 12.932 1.00 14.13 H new ATOM 0 HG21 THR A 24 1.269 27.341 14.324 1.00 55.44 H new ATOM 0 HG22 THR A 24 2.057 27.393 15.919 1.00 55.44 H new ATOM 0 HG23 THR A 24 2.872 28.094 14.501 1.00 55.44 H new ATOM 390 N ALA A 25 3.767 24.226 17.034 1.00 64.44 N ATOM 391 CA ALA A 25 3.520 23.772 18.397 1.00 63.24 C ATOM 392 C ALA A 25 4.755 23.963 19.271 1.00 31.20 C ATOM 393 O ALA A 25 4.707 24.657 20.286 1.00 33.15 O ATOM 394 CB ALA A 25 3.091 22.312 18.397 1.00 4.02 C ATOM 0 H ALA A 25 3.750 23.485 16.333 1.00 64.44 H new ATOM 0 HA ALA A 25 2.715 24.376 18.815 1.00 63.24 H new ATOM 0 HB1 ALA A 25 2.910 21.986 19.421 1.00 4.02 H new ATOM 0 HB2 ALA A 25 2.177 22.201 17.814 1.00 4.02 H new ATOM 0 HB3 ALA A 25 3.879 21.701 17.956 1.00 4.02 H new ATOM 400 N SER A 26 5.860 23.342 18.871 1.00 51.04 N ATOM 401 CA SER A 26 7.106 23.440 19.621 1.00 44.33 C ATOM 402 C SER A 26 7.540 24.896 19.766 1.00 33.12 C ATOM 403 O SER A 26 8.216 25.261 20.728 1.00 63.44 O ATOM 404 CB SER A 26 8.208 22.635 18.928 1.00 12.33 C ATOM 405 OG SER A 26 9.315 22.439 19.791 1.00 71.13 O ATOM 0 H SER A 26 5.917 22.766 18.031 1.00 51.04 H new ATOM 0 HA SER A 26 6.935 23.028 20.616 1.00 44.33 H new ATOM 0 HB2 SER A 26 7.813 21.669 18.612 1.00 12.33 H new ATOM 0 HB3 SER A 26 8.533 23.157 18.028 1.00 12.33 H new ATOM 0 HG SER A 26 10.005 21.921 19.326 1.00 71.13 H new ATOM 411 N SER A 27 7.144 25.723 18.804 1.00 3.30 N ATOM 412 CA SER A 27 7.494 27.139 18.822 1.00 62.24 C ATOM 413 C SER A 27 6.925 27.824 20.060 1.00 22.24 C ATOM 414 O SER A 27 7.621 28.578 20.740 1.00 62.32 O ATOM 415 CB SER A 27 6.975 27.830 17.559 1.00 23.12 C ATOM 416 OG SER A 27 7.950 27.812 16.531 1.00 40.23 O ATOM 0 H SER A 27 6.581 25.438 18.003 1.00 3.30 H new ATOM 0 HA SER A 27 8.581 27.219 18.851 1.00 62.24 H new ATOM 0 HB2 SER A 27 6.069 27.332 17.214 1.00 23.12 H new ATOM 0 HB3 SER A 27 6.704 28.860 17.790 1.00 23.12 H new ATOM 0 HG SER A 27 7.918 26.951 16.065 1.00 40.23 H new ATOM 422 N GLN A 28 5.655 27.555 20.347 1.00 44.02 N ATOM 423 CA GLN A 28 4.992 28.146 21.503 1.00 21.31 C ATOM 424 C GLN A 28 4.430 27.064 22.420 1.00 45.11 C ATOM 425 O GLN A 28 4.993 26.778 23.477 1.00 62.11 O ATOM 426 CB GLN A 28 3.869 29.081 21.051 1.00 43.02 C ATOM 427 CG GLN A 28 4.351 30.473 20.675 1.00 63.11 C ATOM 428 CD GLN A 28 3.474 31.569 21.248 1.00 64.32 C ATOM 429 OE1 GLN A 28 3.923 32.376 22.062 1.00 14.41 O ATOM 430 NE2 GLN A 28 2.216 31.603 20.824 1.00 22.44 N ATOM 0 H GLN A 28 5.065 26.932 19.795 1.00 44.02 H new ATOM 0 HA GLN A 28 5.732 28.721 22.060 1.00 21.31 H new ATOM 0 HB2 GLN A 28 3.361 28.638 20.195 1.00 43.02 H new ATOM 0 HB3 GLN A 28 3.133 29.164 21.850 1.00 43.02 H new ATOM 0 HG2 GLN A 28 5.373 30.608 21.030 1.00 63.11 H new ATOM 0 HG3 GLN A 28 4.376 30.564 19.589 1.00 63.11 H new ATOM 0 HE21 GLN A 28 1.887 30.914 20.148 1.00 22.44 H new ATOM 0 HE22 GLN A 28 1.579 32.319 21.174 1.00 22.44 H new ATOM 439 N VAL A 29 3.317 26.466 22.009 1.00 70.15 N ATOM 440 CA VAL A 29 2.679 25.415 22.792 1.00 22.15 C ATOM 441 C VAL A 29 1.428 24.893 22.096 1.00 33.51 C ATOM 442 O VAL A 29 1.091 23.712 22.203 1.00 43.44 O ATOM 443 CB VAL A 29 2.300 25.916 24.199 1.00 72.42 C ATOM 444 CG1 VAL A 29 1.487 27.198 24.108 1.00 72.11 C ATOM 445 CG2 VAL A 29 1.534 24.842 24.958 1.00 64.05 C ATOM 0 H VAL A 29 2.838 26.692 21.137 1.00 70.15 H new ATOM 0 HA VAL A 29 3.403 24.605 22.885 1.00 22.15 H new ATOM 0 HB VAL A 29 3.216 26.133 24.748 1.00 72.42 H new ATOM 0 HG11 VAL A 29 1.228 27.537 25.111 1.00 72.11 H new ATOM 0 HG12 VAL A 29 2.074 27.966 23.606 1.00 72.11 H new ATOM 0 HG13 VAL A 29 0.575 27.011 23.542 1.00 72.11 H new ATOM 0 HG21 VAL A 29 1.274 25.212 25.950 1.00 64.05 H new ATOM 0 HG22 VAL A 29 0.623 24.592 24.414 1.00 64.05 H new ATOM 0 HG23 VAL A 29 2.155 23.952 25.055 1.00 64.05 H new ATOM 455 N LEU A 30 0.741 25.778 21.382 1.00 3.15 N ATOM 456 CA LEU A 30 -0.474 25.407 20.667 1.00 74.23 C ATOM 457 C LEU A 30 -1.591 25.047 21.641 1.00 74.31 C ATOM 458 O LEU A 30 -1.834 23.871 21.915 1.00 71.12 O ATOM 459 CB LEU A 30 -0.199 24.229 19.731 1.00 60.33 C ATOM 460 CG LEU A 30 -1.074 24.146 18.480 1.00 55.43 C ATOM 461 CD1 LEU A 30 -0.276 24.528 17.243 1.00 2.11 C ATOM 462 CD2 LEU A 30 -1.659 22.750 18.329 1.00 33.40 C ATOM 0 H LEU A 30 1.005 26.758 21.283 1.00 3.15 H new ATOM 0 HA LEU A 30 -0.795 26.265 20.077 1.00 74.23 H new ATOM 0 HB2 LEU A 30 0.844 24.276 19.418 1.00 60.33 H new ATOM 0 HB3 LEU A 30 -0.321 23.305 20.297 1.00 60.33 H new ATOM 0 HG LEU A 30 -1.897 24.853 18.589 1.00 55.43 H new ATOM 0 HD11 LEU A 30 -0.916 24.463 16.363 1.00 2.11 H new ATOM 0 HD12 LEU A 30 0.093 25.548 17.349 1.00 2.11 H new ATOM 0 HD13 LEU A 30 0.568 23.847 17.130 1.00 2.11 H new ATOM 0 HD21 LEU A 30 -2.279 22.710 17.433 1.00 33.40 H new ATOM 0 HD22 LEU A 30 -0.850 22.024 18.243 1.00 33.40 H new ATOM 0 HD23 LEU A 30 -2.268 22.514 19.202 1.00 33.40 H new ATOM 474 N ILE A 31 -2.269 26.066 22.159 1.00 60.51 N ATOM 475 CA ILE A 31 -3.362 25.856 23.100 1.00 74.34 C ATOM 476 C ILE A 31 -4.358 27.010 23.052 1.00 61.23 C ATOM 477 O ILE A 31 -4.028 28.131 22.666 1.00 40.42 O ATOM 478 CB ILE A 31 -2.843 25.700 24.541 1.00 2.31 C ATOM 479 CG1 ILE A 31 -1.807 26.782 24.852 1.00 2.34 C ATOM 480 CG2 ILE A 31 -2.247 24.315 24.743 1.00 50.01 C ATOM 481 CD1 ILE A 31 -2.047 27.488 26.169 1.00 63.41 C ATOM 0 H ILE A 31 -2.080 27.045 21.943 1.00 60.51 H new ATOM 0 HA ILE A 31 -3.862 24.935 22.802 1.00 74.34 H new ATOM 0 HB ILE A 31 -3.681 25.817 25.228 1.00 2.31 H new ATOM 0 HG12 ILE A 31 -0.815 26.330 24.867 1.00 2.34 H new ATOM 0 HG13 ILE A 31 -1.810 27.518 24.048 1.00 2.34 H new ATOM 0 HG21 ILE A 31 -1.885 24.221 25.767 1.00 50.01 H new ATOM 0 HG22 ILE A 31 -3.011 23.560 24.557 1.00 50.01 H new ATOM 0 HG23 ILE A 31 -1.418 24.171 24.050 1.00 50.01 H new ATOM 0 HD11 ILE A 31 -1.275 28.242 26.324 1.00 63.41 H new ATOM 0 HD12 ILE A 31 -3.025 27.969 26.151 1.00 63.41 H new ATOM 0 HD13 ILE A 31 -2.014 26.763 26.982 1.00 63.41 H new ATOM 493 N PRO A 32 -5.607 26.731 23.455 1.00 44.15 N ATOM 494 CA PRO A 32 -6.676 27.734 23.469 1.00 21.32 C ATOM 495 C PRO A 32 -6.461 28.795 24.543 1.00 33.43 C ATOM 496 O PRO A 32 -6.539 28.506 25.737 1.00 40.01 O ATOM 497 CB PRO A 32 -7.930 26.910 23.774 1.00 41.42 C ATOM 498 CG PRO A 32 -7.428 25.712 24.502 1.00 73.50 C ATOM 499 CD PRO A 32 -6.071 25.416 23.927 1.00 24.03 C ATOM 0 HA PRO A 32 -6.730 28.287 22.531 1.00 21.32 H new ATOM 0 HB2 PRO A 32 -8.637 27.475 24.382 1.00 41.42 H new ATOM 0 HB3 PRO A 32 -8.451 26.628 22.859 1.00 41.42 H new ATOM 0 HG2 PRO A 32 -7.364 25.905 25.573 1.00 73.50 H new ATOM 0 HG3 PRO A 32 -8.101 24.865 24.370 1.00 73.50 H new ATOM 0 HD2 PRO A 32 -5.399 24.998 24.677 1.00 24.03 H new ATOM 0 HD3 PRO A 32 -6.128 24.694 23.113 1.00 24.03 H new ATOM 507 N GLU A 33 -6.191 30.022 24.111 1.00 55.34 N ATOM 508 CA GLU A 33 -5.965 31.125 25.037 1.00 14.50 C ATOM 509 C GLU A 33 -6.861 32.313 24.697 1.00 1.52 C ATOM 510 O GLU A 33 -7.852 32.573 25.381 1.00 63.31 O ATOM 511 CB GLU A 33 -4.497 31.554 25.006 1.00 40.34 C ATOM 512 CG GLU A 33 -4.221 32.838 25.771 1.00 72.32 C ATOM 513 CD GLU A 33 -2.743 33.171 25.838 1.00 54.04 C ATOM 514 OE1 GLU A 33 -2.260 33.903 24.949 1.00 54.43 O ATOM 515 OE2 GLU A 33 -2.070 32.700 26.778 1.00 73.23 O ATOM 0 H GLU A 33 -6.123 30.278 23.126 1.00 55.34 H new ATOM 0 HA GLU A 33 -6.214 30.780 26.041 1.00 14.50 H new ATOM 0 HB2 GLU A 33 -3.885 30.754 25.423 1.00 40.34 H new ATOM 0 HB3 GLU A 33 -4.188 31.685 23.969 1.00 40.34 H new ATOM 0 HG2 GLU A 33 -4.754 33.661 25.296 1.00 72.32 H new ATOM 0 HG3 GLU A 33 -4.615 32.745 26.783 1.00 72.32 H new ATOM 522 N ILE A 34 -6.504 33.031 23.638 1.00 54.45 N ATOM 523 CA ILE A 34 -7.275 34.191 23.207 1.00 53.04 C ATOM 524 C ILE A 34 -7.627 34.098 21.726 1.00 72.12 C ATOM 525 O ILE A 34 -8.715 34.493 21.310 1.00 14.11 O ATOM 526 CB ILE A 34 -6.508 35.502 23.459 1.00 51.40 C ATOM 527 CG1 ILE A 34 -5.171 35.488 22.715 1.00 21.45 C ATOM 528 CG2 ILE A 34 -6.289 35.709 24.950 1.00 0.32 C ATOM 529 CD1 ILE A 34 -5.209 36.212 21.388 1.00 14.22 C ATOM 0 H ILE A 34 -5.686 32.830 23.063 1.00 54.45 H new ATOM 0 HA ILE A 34 -8.192 34.197 23.796 1.00 53.04 H new ATOM 0 HB ILE A 34 -7.104 36.333 23.080 1.00 51.40 H new ATOM 0 HG12 ILE A 34 -4.409 35.944 23.346 1.00 21.45 H new ATOM 0 HG13 ILE A 34 -4.869 34.454 22.547 1.00 21.45 H new ATOM 0 HG21 ILE A 34 -5.746 36.640 25.112 1.00 0.32 H new ATOM 0 HG22 ILE A 34 -7.253 35.759 25.456 1.00 0.32 H new ATOM 0 HG23 ILE A 34 -5.711 34.877 25.352 1.00 0.32 H new ATOM 0 HD11 ILE A 34 -4.227 36.161 20.917 1.00 14.22 H new ATOM 0 HD12 ILE A 34 -5.948 35.742 20.738 1.00 14.22 H new ATOM 0 HD13 ILE A 34 -5.480 37.255 21.550 1.00 14.22 H new ATOM 541 N ASN A 35 -6.698 33.571 20.935 1.00 75.34 N ATOM 542 CA ASN A 35 -6.911 33.424 19.499 1.00 21.12 C ATOM 543 C ASN A 35 -5.755 32.666 18.853 1.00 35.50 C ATOM 544 O ASN A 35 -4.975 33.234 18.088 1.00 14.51 O ATOM 545 CB ASN A 35 -7.065 34.797 18.842 1.00 0.23 C ATOM 546 CG ASN A 35 -7.585 34.703 17.421 1.00 52.10 C ATOM 547 OD1 ASN A 35 -7.027 33.986 16.590 1.00 35.12 O ATOM 548 ND2 ASN A 35 -8.659 35.430 17.135 1.00 74.40 N ATOM 0 H ASN A 35 -5.791 33.239 21.263 1.00 75.34 H new ATOM 0 HA ASN A 35 -7.827 32.852 19.349 1.00 21.12 H new ATOM 0 HB2 ASN A 35 -7.746 35.406 19.436 1.00 0.23 H new ATOM 0 HB3 ASN A 35 -6.101 35.306 18.840 1.00 0.23 H new ATOM 0 HD21 ASN A 35 -9.054 35.408 16.195 1.00 74.40 H new ATOM 0 HD22 ASN A 35 -9.089 36.010 17.855 1.00 74.40 H new ATOM 555 N LEU A 36 -5.652 31.378 19.165 1.00 10.41 N ATOM 556 CA LEU A 36 -4.592 30.540 18.615 1.00 53.54 C ATOM 557 C LEU A 36 -5.144 29.588 17.559 1.00 53.12 C ATOM 558 O LEU A 36 -4.496 29.324 16.547 1.00 1.22 O ATOM 559 CB LEU A 36 -3.913 29.745 19.730 1.00 21.34 C ATOM 560 CG LEU A 36 -2.836 28.754 19.288 1.00 64.10 C ATOM 561 CD1 LEU A 36 -1.567 28.945 20.105 1.00 61.25 C ATOM 562 CD2 LEU A 36 -3.342 27.324 19.413 1.00 52.34 C ATOM 0 H LEU A 36 -6.289 30.892 19.796 1.00 10.41 H new ATOM 0 HA LEU A 36 -3.856 31.191 18.142 1.00 53.54 H new ATOM 0 HB2 LEU A 36 -3.464 30.450 20.430 1.00 21.34 H new ATOM 0 HB3 LEU A 36 -4.680 29.197 20.277 1.00 21.34 H new ATOM 0 HG LEU A 36 -2.602 28.945 18.241 1.00 64.10 H new ATOM 0 HD11 LEU A 36 -0.812 28.231 19.776 1.00 61.25 H new ATOM 0 HD12 LEU A 36 -1.193 29.959 19.965 1.00 61.25 H new ATOM 0 HD13 LEU A 36 -1.786 28.782 21.160 1.00 61.25 H new ATOM 0 HD21 LEU A 36 -2.562 26.633 19.094 1.00 52.34 H new ATOM 0 HD22 LEU A 36 -3.605 27.120 20.451 1.00 52.34 H new ATOM 0 HD23 LEU A 36 -4.222 27.193 18.784 1.00 52.34 H new ATOM 574 N ASN A 37 -6.347 29.077 17.801 1.00 21.11 N ATOM 575 CA ASN A 37 -6.987 28.155 16.870 1.00 33.11 C ATOM 576 C ASN A 37 -7.095 28.773 15.479 1.00 4.25 C ATOM 577 O ASN A 37 -6.740 28.146 14.481 1.00 3.31 O ATOM 578 CB ASN A 37 -8.378 27.769 17.378 1.00 72.04 C ATOM 579 CG ASN A 37 -8.347 26.549 18.279 1.00 51.55 C ATOM 580 OD1 ASN A 37 -8.033 25.445 17.836 1.00 65.33 O ATOM 581 ND2 ASN A 37 -8.675 26.745 19.550 1.00 4.35 N ATOM 0 H ASN A 37 -6.898 29.286 18.634 1.00 21.11 H new ATOM 0 HA ASN A 37 -6.370 27.259 16.803 1.00 33.11 H new ATOM 0 HB2 ASN A 37 -8.809 28.609 17.923 1.00 72.04 H new ATOM 0 HB3 ASN A 37 -9.031 27.573 16.527 1.00 72.04 H new ATOM 0 HD21 ASN A 37 -8.673 25.962 20.204 1.00 4.35 H new ATOM 0 HD22 ASN A 37 -8.929 27.679 19.873 1.00 4.35 H new ATOM 588 N ASP A 38 -7.586 30.006 15.423 1.00 44.23 N ATOM 589 CA ASP A 38 -7.738 30.711 14.155 1.00 32.21 C ATOM 590 C ASP A 38 -6.396 30.846 13.443 1.00 23.13 C ATOM 591 O ASP A 38 -6.262 30.489 12.272 1.00 14.41 O ATOM 592 CB ASP A 38 -8.348 32.094 14.386 1.00 15.12 C ATOM 593 CG ASP A 38 -9.119 32.596 13.181 1.00 64.13 C ATOM 594 OD1 ASP A 38 -10.193 33.203 13.373 1.00 31.02 O ATOM 595 OD2 ASP A 38 -8.646 32.382 12.045 1.00 55.53 O ATOM 0 H ASP A 38 -7.885 30.538 16.240 1.00 44.23 H new ATOM 0 HA ASP A 38 -8.407 30.128 13.522 1.00 32.21 H new ATOM 0 HB2 ASP A 38 -9.013 32.055 15.249 1.00 15.12 H new ATOM 0 HB3 ASP A 38 -7.555 32.802 14.627 1.00 15.12 H new ATOM 600 N THR A 39 -5.402 31.364 14.158 1.00 0.53 N ATOM 601 CA THR A 39 -4.071 31.549 13.595 1.00 5.11 C ATOM 602 C THR A 39 -3.505 30.232 13.077 1.00 31.41 C ATOM 603 O THR A 39 -3.081 30.137 11.925 1.00 34.41 O ATOM 604 CB THR A 39 -3.098 32.139 14.634 1.00 70.11 C ATOM 605 OG1 THR A 39 -3.774 32.338 15.880 1.00 31.14 O ATOM 606 CG2 THR A 39 -2.522 33.460 14.147 1.00 51.10 C ATOM 0 H THR A 39 -5.494 31.663 15.129 1.00 0.53 H new ATOM 0 HA THR A 39 -4.174 32.249 12.766 1.00 5.11 H new ATOM 0 HB THR A 39 -2.279 31.434 14.774 1.00 70.11 H new ATOM 0 HG1 THR A 39 -3.800 33.295 16.089 1.00 31.14 H new ATOM 0 HG21 THR A 39 -1.838 33.857 14.897 1.00 51.10 H new ATOM 0 HG22 THR A 39 -1.983 33.300 13.213 1.00 51.10 H new ATOM 0 HG23 THR A 39 -3.332 34.171 13.981 1.00 51.10 H new ATOM 614 N PHE A 40 -3.502 29.216 13.935 1.00 50.53 N ATOM 615 CA PHE A 40 -2.988 27.903 13.563 1.00 10.42 C ATOM 616 C PHE A 40 -3.760 27.333 12.377 1.00 20.21 C ATOM 617 O PHE A 40 -3.176 26.741 11.469 1.00 42.50 O ATOM 618 CB PHE A 40 -3.074 26.943 14.752 1.00 53.54 C ATOM 619 CG PHE A 40 -2.297 25.674 14.554 1.00 24.33 C ATOM 620 CD1 PHE A 40 -1.007 25.707 14.050 1.00 43.12 C ATOM 621 CD2 PHE A 40 -2.856 24.447 14.873 1.00 61.31 C ATOM 622 CE1 PHE A 40 -0.288 24.541 13.867 1.00 31.54 C ATOM 623 CE2 PHE A 40 -2.142 23.277 14.693 1.00 10.01 C ATOM 624 CZ PHE A 40 -0.857 23.324 14.189 1.00 71.25 C ATOM 0 H PHE A 40 -3.850 29.277 14.892 1.00 50.53 H new ATOM 0 HA PHE A 40 -1.944 28.018 13.272 1.00 10.42 H new ATOM 0 HB2 PHE A 40 -2.707 27.449 15.645 1.00 53.54 H new ATOM 0 HB3 PHE A 40 -4.120 26.695 14.934 1.00 53.54 H new ATOM 0 HD1 PHE A 40 -0.558 26.656 13.797 1.00 43.12 H new ATOM 0 HD2 PHE A 40 -3.861 24.404 15.267 1.00 61.31 H new ATOM 0 HE1 PHE A 40 0.717 24.581 13.473 1.00 31.54 H new ATOM 0 HE2 PHE A 40 -2.589 22.327 14.946 1.00 10.01 H new ATOM 0 HZ PHE A 40 -0.298 22.411 14.047 1.00 71.25 H new ATOM 634 N ASP A 41 -5.076 27.514 12.393 1.00 2.20 N ATOM 635 CA ASP A 41 -5.929 27.019 11.319 1.00 31.43 C ATOM 636 C ASP A 41 -5.502 27.599 9.974 1.00 34.54 C ATOM 637 O ASP A 41 -5.103 26.866 9.068 1.00 2.34 O ATOM 638 CB ASP A 41 -7.392 27.368 11.599 1.00 43.34 C ATOM 639 CG ASP A 41 -8.163 26.204 12.188 1.00 60.20 C ATOM 640 OD1 ASP A 41 -9.382 26.110 11.934 1.00 14.24 O ATOM 641 OD2 ASP A 41 -7.547 25.385 12.902 1.00 11.51 O ATOM 0 H ASP A 41 -5.575 28.000 13.138 1.00 2.20 H new ATOM 0 HA ASP A 41 -5.824 25.935 11.276 1.00 31.43 H new ATOM 0 HB2 ASP A 41 -7.436 28.213 12.286 1.00 43.34 H new ATOM 0 HB3 ASP A 41 -7.870 27.685 10.672 1.00 43.34 H new ATOM 646 N THR A 42 -5.591 28.919 9.850 1.00 3.33 N ATOM 647 CA THR A 42 -5.216 29.598 8.616 1.00 72.41 C ATOM 648 C THR A 42 -3.797 29.233 8.197 1.00 63.21 C ATOM 649 O THR A 42 -3.459 29.272 7.014 1.00 45.13 O ATOM 650 CB THR A 42 -5.319 31.128 8.762 1.00 21.43 C ATOM 651 OG1 THR A 42 -5.750 31.710 7.527 1.00 13.04 O ATOM 652 CG2 THR A 42 -3.980 31.723 9.169 1.00 4.33 C ATOM 0 H THR A 42 -5.920 29.540 10.590 1.00 3.33 H new ATOM 0 HA THR A 42 -5.915 29.266 7.848 1.00 72.41 H new ATOM 0 HB THR A 42 -6.049 31.349 9.541 1.00 21.43 H new ATOM 0 HG1 THR A 42 -5.814 32.683 7.629 1.00 13.04 H new ATOM 0 HG21 THR A 42 -4.077 32.804 9.266 1.00 4.33 H new ATOM 0 HG22 THR A 42 -3.669 31.299 10.124 1.00 4.33 H new ATOM 0 HG23 THR A 42 -3.233 31.492 8.409 1.00 4.33 H new ATOM 660 N PHE A 43 -2.969 28.877 9.174 1.00 52.00 N ATOM 661 CA PHE A 43 -1.585 28.505 8.906 1.00 61.00 C ATOM 662 C PHE A 43 -1.508 27.125 8.259 1.00 51.44 C ATOM 663 O PHE A 43 -1.012 26.979 7.142 1.00 30.30 O ATOM 664 CB PHE A 43 -0.771 28.519 10.201 1.00 21.15 C ATOM 665 CG PHE A 43 0.713 28.449 9.978 1.00 53.41 C ATOM 666 CD1 PHE A 43 1.515 27.674 10.799 1.00 32.42 C ATOM 667 CD2 PHE A 43 1.305 29.160 8.947 1.00 43.23 C ATOM 668 CE1 PHE A 43 2.880 27.607 10.596 1.00 5.11 C ATOM 669 CE2 PHE A 43 2.670 29.097 8.738 1.00 2.35 C ATOM 670 CZ PHE A 43 3.459 28.321 9.565 1.00 71.22 C ATOM 0 H PHE A 43 -3.233 28.838 10.159 1.00 52.00 H new ATOM 0 HA PHE A 43 -1.166 29.236 8.214 1.00 61.00 H new ATOM 0 HB2 PHE A 43 -1.004 29.427 10.757 1.00 21.15 H new ATOM 0 HB3 PHE A 43 -1.077 27.677 10.822 1.00 21.15 H new ATOM 0 HD1 PHE A 43 1.068 27.115 11.608 1.00 32.42 H new ATOM 0 HD2 PHE A 43 0.693 29.770 8.299 1.00 43.23 H new ATOM 0 HE1 PHE A 43 3.494 26.997 11.243 1.00 5.11 H new ATOM 0 HE2 PHE A 43 3.119 29.654 7.929 1.00 2.35 H new ATOM 0 HZ PHE A 43 4.526 28.273 9.406 1.00 71.22 H new ATOM 680 N ALA A 44 -2.002 26.117 8.969 1.00 75.31 N ATOM 681 CA ALA A 44 -1.992 24.749 8.464 1.00 4.41 C ATOM 682 C ALA A 44 -2.710 24.654 7.122 1.00 22.23 C ATOM 683 O ALA A 44 -2.205 24.044 6.178 1.00 11.43 O ATOM 684 CB ALA A 44 -2.630 23.808 9.475 1.00 52.50 C ATOM 0 H ALA A 44 -2.414 26.221 9.896 1.00 75.31 H new ATOM 0 HA ALA A 44 -0.954 24.451 8.313 1.00 4.41 H new ATOM 0 HB1 ALA A 44 -2.616 22.790 9.085 1.00 52.50 H new ATOM 0 HB2 ALA A 44 -2.071 23.846 10.410 1.00 52.50 H new ATOM 0 HB3 ALA A 44 -3.661 24.113 9.656 1.00 52.50 H new ATOM 690 N LEU A 45 -3.890 25.258 7.044 1.00 11.41 N ATOM 691 CA LEU A 45 -4.679 25.241 5.817 1.00 62.00 C ATOM 692 C LEU A 45 -3.807 25.555 4.605 1.00 35.01 C ATOM 693 O LEU A 45 -3.684 24.741 3.689 1.00 10.53 O ATOM 694 CB LEU A 45 -5.825 26.249 5.910 1.00 14.20 C ATOM 695 CG LEU A 45 -6.313 26.836 4.585 1.00 62.44 C ATOM 696 CD1 LEU A 45 -6.696 25.725 3.618 1.00 2.44 C ATOM 697 CD2 LEU A 45 -7.489 27.773 4.816 1.00 31.24 C ATOM 0 H LEU A 45 -4.322 25.766 7.816 1.00 11.41 H new ATOM 0 HA LEU A 45 -5.093 24.240 5.694 1.00 62.00 H new ATOM 0 HB2 LEU A 45 -6.669 25.765 6.402 1.00 14.20 H new ATOM 0 HB3 LEU A 45 -5.509 27.070 6.553 1.00 14.20 H new ATOM 0 HG LEU A 45 -5.499 27.411 4.143 1.00 62.44 H new ATOM 0 HD11 LEU A 45 -7.041 26.161 2.681 1.00 2.44 H new ATOM 0 HD12 LEU A 45 -5.828 25.094 3.427 1.00 2.44 H new ATOM 0 HD13 LEU A 45 -7.494 25.123 4.053 1.00 2.44 H new ATOM 0 HD21 LEU A 45 -7.822 28.181 3.862 1.00 31.24 H new ATOM 0 HD22 LEU A 45 -8.307 27.223 5.281 1.00 31.24 H new ATOM 0 HD23 LEU A 45 -7.182 28.588 5.471 1.00 31.24 H new ATOM 709 N ASP A 46 -3.204 26.738 4.608 1.00 42.33 N ATOM 710 CA ASP A 46 -2.341 27.159 3.510 1.00 23.21 C ATOM 711 C ASP A 46 -1.333 26.068 3.163 1.00 64.22 C ATOM 712 O ASP A 46 -1.174 25.703 1.998 1.00 44.03 O ATOM 713 CB ASP A 46 -1.608 28.450 3.876 1.00 45.44 C ATOM 714 CG ASP A 46 -1.575 29.442 2.729 1.00 21.12 C ATOM 715 OD1 ASP A 46 -1.461 30.656 2.998 1.00 44.42 O ATOM 716 OD2 ASP A 46 -1.663 29.003 1.563 1.00 1.55 O ATOM 0 H ASP A 46 -3.296 27.423 5.358 1.00 42.33 H new ATOM 0 HA ASP A 46 -2.967 27.341 2.637 1.00 23.21 H new ATOM 0 HB2 ASP A 46 -2.095 28.910 4.736 1.00 45.44 H new ATOM 0 HB3 ASP A 46 -0.588 28.212 4.177 1.00 45.44 H new ATOM 721 N PHE A 47 -0.653 25.551 4.181 1.00 11.34 N ATOM 722 CA PHE A 47 0.341 24.503 3.984 1.00 45.32 C ATOM 723 C PHE A 47 -0.276 23.290 3.295 1.00 35.25 C ATOM 724 O PHE A 47 0.163 22.882 2.221 1.00 61.34 O ATOM 725 CB PHE A 47 0.949 24.088 5.325 1.00 3.32 C ATOM 726 CG PHE A 47 2.337 24.619 5.544 1.00 2.24 C ATOM 727 CD1 PHE A 47 3.363 24.294 4.672 1.00 24.33 C ATOM 728 CD2 PHE A 47 2.616 25.443 6.623 1.00 54.31 C ATOM 729 CE1 PHE A 47 4.642 24.781 4.871 1.00 74.12 C ATOM 730 CE2 PHE A 47 3.892 25.934 6.826 1.00 34.22 C ATOM 731 CZ PHE A 47 4.906 25.601 5.950 1.00 41.21 C ATOM 0 H PHE A 47 -0.773 25.841 5.152 1.00 11.34 H new ATOM 0 HA PHE A 47 1.129 24.900 3.344 1.00 45.32 H new ATOM 0 HB2 PHE A 47 0.304 24.437 6.131 1.00 3.32 H new ATOM 0 HB3 PHE A 47 0.971 23.000 5.383 1.00 3.32 H new ATOM 0 HD1 PHE A 47 3.162 23.653 3.827 1.00 24.33 H new ATOM 0 HD2 PHE A 47 1.827 25.704 7.313 1.00 54.31 H new ATOM 0 HE1 PHE A 47 5.433 24.520 4.183 1.00 74.12 H new ATOM 0 HE2 PHE A 47 4.096 26.578 7.669 1.00 34.22 H new ATOM 0 HZ PHE A 47 5.904 25.981 6.109 1.00 41.21 H new ATOM 741 N SER A 48 -1.298 22.717 3.924 1.00 55.34 N ATOM 742 CA SER A 48 -1.975 21.548 3.375 1.00 61.21 C ATOM 743 C SER A 48 -2.400 21.794 1.930 1.00 23.14 C ATOM 744 O SER A 48 -2.215 20.940 1.063 1.00 21.34 O ATOM 745 CB SER A 48 -3.197 21.194 4.225 1.00 62.34 C ATOM 746 OG SER A 48 -3.446 19.799 4.203 1.00 22.24 O ATOM 0 H SER A 48 -1.675 23.043 4.814 1.00 55.34 H new ATOM 0 HA SER A 48 -1.275 20.713 3.392 1.00 61.21 H new ATOM 0 HB2 SER A 48 -3.037 21.522 5.252 1.00 62.34 H new ATOM 0 HB3 SER A 48 -4.071 21.729 3.852 1.00 62.34 H new ATOM 0 HG SER A 48 -4.231 19.598 4.755 1.00 22.24 H new ATOM 752 N ARG A 49 -2.970 22.968 1.680 1.00 70.11 N ATOM 753 CA ARG A 49 -3.423 23.327 0.341 1.00 2.35 C ATOM 754 C ARG A 49 -2.382 22.943 -0.706 1.00 41.00 C ATOM 755 O ARG A 49 -2.715 22.378 -1.747 1.00 30.42 O ATOM 756 CB ARG A 49 -3.711 24.828 0.263 1.00 21.32 C ATOM 757 CG ARG A 49 -4.617 25.214 -0.894 1.00 55.10 C ATOM 758 CD ARG A 49 -4.014 26.337 -1.723 1.00 71.25 C ATOM 759 NE ARG A 49 -4.985 26.917 -2.648 1.00 65.41 N ATOM 760 CZ ARG A 49 -4.821 28.093 -3.242 1.00 52.34 C ATOM 761 NH1 ARG A 49 -3.731 28.811 -3.010 1.00 51.42 N ATOM 762 NH2 ARG A 49 -5.749 28.554 -4.071 1.00 73.24 N ATOM 0 H ARG A 49 -3.129 23.687 2.386 1.00 70.11 H new ATOM 0 HA ARG A 49 -4.341 22.776 0.135 1.00 2.35 H new ATOM 0 HB2 ARG A 49 -4.171 25.150 1.197 1.00 21.32 H new ATOM 0 HB3 ARG A 49 -2.768 25.366 0.170 1.00 21.32 H new ATOM 0 HG2 ARG A 49 -4.790 24.344 -1.528 1.00 55.10 H new ATOM 0 HG3 ARG A 49 -5.588 25.525 -0.509 1.00 55.10 H new ATOM 0 HD2 ARG A 49 -3.636 27.115 -1.059 1.00 71.25 H new ATOM 0 HD3 ARG A 49 -3.161 25.955 -2.285 1.00 71.25 H new ATOM 0 HE ARG A 49 -5.835 26.390 -2.848 1.00 65.41 H new ATOM 0 HH11 ARG A 49 -3.015 28.460 -2.374 1.00 51.42 H new ATOM 0 HH12 ARG A 49 -3.608 29.714 -3.468 1.00 51.42 H new ATOM 0 HH21 ARG A 49 -6.589 28.005 -4.252 1.00 73.24 H new ATOM 0 HH22 ARG A 49 -5.622 29.458 -4.527 1.00 73.24 H new ATOM 776 N GLU A 50 -1.121 23.255 -0.422 1.00 71.13 N ATOM 777 CA GLU A 50 -0.033 22.943 -1.341 1.00 45.10 C ATOM 778 C GLU A 50 0.356 21.470 -1.245 1.00 55.40 C ATOM 779 O GLU A 50 0.738 20.851 -2.238 1.00 30.01 O ATOM 780 CB GLU A 50 1.184 23.823 -1.043 1.00 75.32 C ATOM 781 CG GLU A 50 1.496 24.822 -2.144 1.00 41.22 C ATOM 782 CD GLU A 50 2.940 25.284 -2.120 1.00 63.23 C ATOM 783 OE1 GLU A 50 3.230 26.355 -2.694 1.00 34.21 O ATOM 784 OE2 GLU A 50 3.781 24.575 -1.529 1.00 33.32 O ATOM 0 H GLU A 50 -0.828 23.723 0.436 1.00 71.13 H new ATOM 0 HA GLU A 50 -0.379 23.144 -2.355 1.00 45.10 H new ATOM 0 HB2 GLU A 50 1.012 24.363 -0.112 1.00 75.32 H new ATOM 0 HB3 GLU A 50 2.054 23.185 -0.886 1.00 75.32 H new ATOM 0 HG2 GLU A 50 1.279 24.370 -3.112 1.00 41.22 H new ATOM 0 HG3 GLU A 50 0.840 25.686 -2.042 1.00 41.22 H new ATOM 791 N LYS A 51 0.255 20.915 -0.042 1.00 11.51 N ATOM 792 CA LYS A 51 0.594 19.516 0.186 1.00 31.14 C ATOM 793 C LYS A 51 -0.327 18.596 -0.609 1.00 11.20 C ATOM 794 O LYS A 51 0.057 17.488 -0.984 1.00 3.14 O ATOM 795 CB LYS A 51 0.500 19.184 1.677 1.00 22.33 C ATOM 796 CG LYS A 51 -0.811 18.527 2.073 1.00 62.42 C ATOM 797 CD LYS A 51 -0.736 17.014 1.949 1.00 72.04 C ATOM 798 CE LYS A 51 -2.095 16.414 1.619 1.00 5.12 C ATOM 799 NZ LYS A 51 -2.023 14.936 1.454 1.00 22.25 N ATOM 0 H LYS A 51 -0.059 21.414 0.791 1.00 11.51 H new ATOM 0 HA LYS A 51 1.618 19.357 -0.152 1.00 31.14 H new ATOM 0 HB2 LYS A 51 1.324 18.523 1.946 1.00 22.33 H new ATOM 0 HB3 LYS A 51 0.626 20.101 2.253 1.00 22.33 H new ATOM 0 HG2 LYS A 51 -1.059 18.797 3.099 1.00 62.42 H new ATOM 0 HG3 LYS A 51 -1.614 18.905 1.441 1.00 62.42 H new ATOM 0 HD2 LYS A 51 -0.020 16.747 1.171 1.00 72.04 H new ATOM 0 HD3 LYS A 51 -0.366 16.589 2.882 1.00 72.04 H new ATOM 0 HE2 LYS A 51 -2.802 16.657 2.413 1.00 5.12 H new ATOM 0 HE3 LYS A 51 -2.478 16.864 0.703 1.00 5.12 H new ATOM 0 HZ1 LYS A 51 -2.968 14.565 1.230 1.00 22.25 H new ATOM 0 HZ2 LYS A 51 -1.368 14.705 0.680 1.00 22.25 H new ATOM 0 HZ3 LYS A 51 -1.682 14.504 2.337 1.00 22.25 H new ATOM 813 N LYS A 52 -1.544 19.063 -0.865 1.00 54.01 N ATOM 814 CA LYS A 52 -2.520 18.284 -1.619 1.00 11.44 C ATOM 815 C LYS A 52 -2.202 18.310 -3.110 1.00 50.32 C ATOM 816 O LYS A 52 -2.095 17.264 -3.751 1.00 33.32 O ATOM 817 CB LYS A 52 -3.931 18.826 -1.378 1.00 11.03 C ATOM 818 CG LYS A 52 -4.983 18.205 -2.280 1.00 72.01 C ATOM 819 CD LYS A 52 -5.162 16.724 -1.991 1.00 13.13 C ATOM 820 CE LYS A 52 -5.916 16.498 -0.689 1.00 75.34 C ATOM 821 NZ LYS A 52 -7.044 15.540 -0.861 1.00 23.10 N ATOM 0 H LYS A 52 -1.879 19.978 -0.561 1.00 54.01 H new ATOM 0 HA LYS A 52 -2.470 17.252 -1.273 1.00 11.44 H new ATOM 0 HB2 LYS A 52 -4.206 18.650 -0.338 1.00 11.03 H new ATOM 0 HB3 LYS A 52 -3.927 19.906 -1.528 1.00 11.03 H new ATOM 0 HG2 LYS A 52 -5.933 18.721 -2.141 1.00 72.01 H new ATOM 0 HG3 LYS A 52 -4.696 18.341 -3.323 1.00 72.01 H new ATOM 0 HD2 LYS A 52 -5.703 16.255 -2.812 1.00 13.13 H new ATOM 0 HD3 LYS A 52 -4.186 16.242 -1.936 1.00 13.13 H new ATOM 0 HE2 LYS A 52 -5.229 16.118 0.067 1.00 75.34 H new ATOM 0 HE3 LYS A 52 -6.300 17.450 -0.322 1.00 75.34 H new ATOM 0 HZ1 LYS A 52 -7.533 15.412 0.048 1.00 23.10 H new ATOM 0 HZ2 LYS A 52 -7.713 15.914 -1.564 1.00 23.10 H new ATOM 0 HZ3 LYS A 52 -6.675 14.624 -1.187 1.00 23.10 H new ATOM 835 N LEU A 53 -2.050 19.511 -3.657 1.00 52.32 N ATOM 836 CA LEU A 53 -1.742 19.673 -5.074 1.00 13.31 C ATOM 837 C LEU A 53 -0.527 18.840 -5.466 1.00 24.32 C ATOM 838 O LEU A 53 -0.378 18.444 -6.623 1.00 14.11 O ATOM 839 CB LEU A 53 -1.489 21.147 -5.396 1.00 14.33 C ATOM 840 CG LEU A 53 -2.448 21.789 -6.399 1.00 51.22 C ATOM 841 CD1 LEU A 53 -3.855 21.855 -5.826 1.00 52.20 C ATOM 842 CD2 LEU A 53 -1.963 23.178 -6.787 1.00 4.30 C ATOM 0 H LEU A 53 -2.135 20.387 -3.141 1.00 52.32 H new ATOM 0 HA LEU A 53 -2.600 19.324 -5.649 1.00 13.31 H new ATOM 0 HB2 LEU A 53 -1.534 21.714 -4.466 1.00 14.33 H new ATOM 0 HB3 LEU A 53 -0.474 21.245 -5.780 1.00 14.33 H new ATOM 0 HG LEU A 53 -2.472 21.170 -7.296 1.00 51.22 H new ATOM 0 HD11 LEU A 53 -4.523 22.315 -6.554 1.00 52.20 H new ATOM 0 HD12 LEU A 53 -4.203 20.847 -5.600 1.00 52.20 H new ATOM 0 HD13 LEU A 53 -3.848 22.450 -4.913 1.00 52.20 H new ATOM 0 HD21 LEU A 53 -2.658 23.620 -7.501 1.00 4.30 H new ATOM 0 HD22 LEU A 53 -1.909 23.806 -5.898 1.00 4.30 H new ATOM 0 HD23 LEU A 53 -0.974 23.105 -7.240 1.00 4.30 H new ATOM 854 N LEU A 54 0.340 18.574 -4.495 1.00 0.24 N ATOM 855 CA LEU A 54 1.543 17.785 -4.737 1.00 33.10 C ATOM 856 C LEU A 54 1.199 16.309 -4.912 1.00 43.11 C ATOM 857 O LEU A 54 1.581 15.687 -5.903 1.00 21.03 O ATOM 858 CB LEU A 54 2.531 17.957 -3.582 1.00 33.21 C ATOM 859 CG LEU A 54 3.647 16.916 -3.493 1.00 45.04 C ATOM 860 CD1 LEU A 54 4.912 17.538 -2.922 1.00 64.41 C ATOM 861 CD2 LEU A 54 3.205 15.730 -2.649 1.00 24.12 C ATOM 0 H LEU A 54 0.232 18.893 -3.532 1.00 0.24 H new ATOM 0 HA LEU A 54 2.004 18.144 -5.657 1.00 33.10 H new ATOM 0 HB2 LEU A 54 2.987 18.943 -3.664 1.00 33.21 H new ATOM 0 HB3 LEU A 54 1.972 17.942 -2.647 1.00 33.21 H new ATOM 0 HG LEU A 54 3.865 16.558 -4.499 1.00 45.04 H new ATOM 0 HD11 LEU A 54 5.696 16.782 -2.866 1.00 64.41 H new ATOM 0 HD12 LEU A 54 5.240 18.353 -3.567 1.00 64.41 H new ATOM 0 HD13 LEU A 54 4.709 17.925 -1.923 1.00 64.41 H new ATOM 0 HD21 LEU A 54 4.012 14.999 -2.597 1.00 24.12 H new ATOM 0 HD22 LEU A 54 2.959 16.071 -1.643 1.00 24.12 H new ATOM 0 HD23 LEU A 54 2.327 15.269 -3.101 1.00 24.12 H new ATOM 873 N GLU A 55 0.475 15.756 -3.944 1.00 54.42 N ATOM 874 CA GLU A 55 0.079 14.354 -3.993 1.00 72.22 C ATOM 875 C GLU A 55 -0.844 14.090 -5.180 1.00 11.05 C ATOM 876 O GLU A 55 -0.504 13.331 -6.088 1.00 25.14 O ATOM 877 CB GLU A 55 -0.618 13.952 -2.692 1.00 31.14 C ATOM 878 CG GLU A 55 -0.736 12.449 -2.504 1.00 34.34 C ATOM 879 CD GLU A 55 -2.059 12.040 -1.885 1.00 12.51 C ATOM 880 OE1 GLU A 55 -2.504 10.901 -2.136 1.00 73.12 O ATOM 881 OE2 GLU A 55 -2.649 12.860 -1.150 1.00 72.22 O ATOM 0 H GLU A 55 0.151 16.257 -3.117 1.00 54.42 H new ATOM 0 HA GLU A 55 0.980 13.753 -4.115 1.00 72.22 H new ATOM 0 HB2 GLU A 55 -0.068 14.373 -1.850 1.00 31.14 H new ATOM 0 HB3 GLU A 55 -1.615 14.391 -2.673 1.00 31.14 H new ATOM 0 HG2 GLU A 55 -0.623 11.956 -3.470 1.00 34.34 H new ATOM 0 HG3 GLU A 55 0.080 12.101 -1.871 1.00 34.34 H new