USER MOD reduce.3.24.130724 H: found=0, std=0, add=441, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 440 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 9 THR OG1 : rot 29:sc= 0.178 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 THR OG1 : rot -122:sc= 0.0723 USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 GLN : amide:sc= -0.418 X(o=-0.42,f=-0.42) USER MOD Single : A 30 ASN : amide:sc= -0.113 X(o=-0.11,f=-0.13) USER MOD Single : A 33 TYR OH : rot 130:sc= -0.747 USER MOD Single : A 34 CYS SG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 52:sc= 0.0827 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 HIS : no HD1:sc= -0.214 K(o=-0.21,f=-0.89) USER MOD Single : A 47 GLN : amide:sc= -0.44 X(o=-0.44,f=-0.37) USER MOD Single : A 50 ASN : amide:sc= -0.253 X(o=-0.25,f=0) USER MOD Single : A 52 HIS : no HD1:sc= -0.33 K(o=-0.33,f=-1.1) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 102:sc= 3.33 USER MOD Single : A 59 SER OG : rot 180:sc= -1.11! USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 160:sc= 0.912 (180deg=0.638) USER MOD ----------------------------------------------------------------- ATOM 103 N THR A 9 15.750 1.625 -9.321 1.00 53.30 N ATOM 104 CA THR A 9 17.165 1.906 -9.116 1.00 40.24 C ATOM 105 C THR A 9 17.363 3.235 -8.396 1.00 63.01 C ATOM 106 O THR A 9 16.545 4.147 -8.518 1.00 45.04 O ATOM 107 CB THR A 9 17.930 1.941 -10.453 1.00 31.40 C ATOM 108 OG1 THR A 9 17.627 0.771 -11.221 1.00 21.40 O ATOM 109 CG2 THR A 9 19.430 2.024 -10.216 1.00 23.51 C ATOM 0 HA THR A 9 17.561 1.099 -8.500 1.00 40.24 H new ATOM 0 HB THR A 9 17.616 2.828 -11.003 1.00 31.40 H new ATOM 0 HG1 THR A 9 16.727 0.456 -10.996 1.00 21.40 H new ATOM 0 HG21 THR A 9 19.949 2.047 -11.174 1.00 23.51 H new ATOM 0 HG22 THR A 9 19.660 2.931 -9.656 1.00 23.51 H new ATOM 0 HG23 THR A 9 19.757 1.154 -9.647 1.00 23.51 H new ATOM 117 N VAL A 10 18.455 3.339 -7.645 1.00 62.40 N ATOM 118 CA VAL A 10 18.762 4.558 -6.906 1.00 71.51 C ATOM 119 C VAL A 10 20.109 5.132 -7.329 1.00 24.03 C ATOM 120 O VAL A 10 20.986 4.406 -7.798 1.00 41.43 O ATOM 121 CB VAL A 10 18.778 4.304 -5.387 1.00 20.10 C ATOM 122 CG1 VAL A 10 18.799 5.621 -4.626 1.00 32.42 C ATOM 123 CG2 VAL A 10 17.581 3.460 -4.975 1.00 64.55 C ATOM 0 H VAL A 10 19.142 2.593 -7.532 1.00 62.40 H new ATOM 0 HA VAL A 10 17.976 5.276 -7.138 1.00 71.51 H new ATOM 0 HB VAL A 10 19.685 3.753 -5.138 1.00 20.10 H new ATOM 0 HG11 VAL A 10 18.810 5.422 -3.554 1.00 32.42 H new ATOM 0 HG12 VAL A 10 19.691 6.185 -4.900 1.00 32.42 H new ATOM 0 HG13 VAL A 10 17.911 6.201 -4.878 1.00 32.42 H new ATOM 0 HG21 VAL A 10 17.609 3.290 -3.899 1.00 64.55 H new ATOM 0 HG22 VAL A 10 16.661 3.982 -5.237 1.00 64.55 H new ATOM 0 HG23 VAL A 10 17.615 2.502 -5.494 1.00 64.55 H new ATOM 133 N VAL A 11 20.268 6.441 -7.158 1.00 63.33 N ATOM 134 CA VAL A 11 21.510 7.114 -7.520 1.00 70.44 C ATOM 135 C VAL A 11 22.013 7.991 -6.379 1.00 74.14 C ATOM 136 O VAL A 11 21.223 8.521 -5.597 1.00 5.12 O ATOM 137 CB VAL A 11 21.331 7.981 -8.780 1.00 43.43 C ATOM 138 CG1 VAL A 11 21.049 7.109 -9.994 1.00 52.20 C ATOM 139 CG2 VAL A 11 20.219 8.998 -8.573 1.00 75.32 C ATOM 0 H VAL A 11 19.552 7.056 -6.771 1.00 63.33 H new ATOM 0 HA VAL A 11 22.244 6.335 -7.725 1.00 70.44 H new ATOM 0 HB VAL A 11 22.259 8.523 -8.961 1.00 43.43 H new ATOM 0 HG11 VAL A 11 20.926 7.740 -10.874 1.00 52.20 H new ATOM 0 HG12 VAL A 11 21.883 6.425 -10.152 1.00 52.20 H new ATOM 0 HG13 VAL A 11 20.136 6.537 -9.827 1.00 52.20 H new ATOM 0 HG21 VAL A 11 20.106 9.602 -9.473 1.00 75.32 H new ATOM 0 HG22 VAL A 11 19.284 8.478 -8.366 1.00 75.32 H new ATOM 0 HG23 VAL A 11 20.469 9.644 -7.731 1.00 75.32 H new ATOM 149 N ILE A 12 23.330 8.140 -6.291 1.00 70.12 N ATOM 150 CA ILE A 12 23.938 8.955 -5.247 1.00 32.45 C ATOM 151 C ILE A 12 24.497 10.254 -5.818 1.00 35.54 C ATOM 152 O ILE A 12 25.165 10.252 -6.850 1.00 45.35 O ATOM 153 CB ILE A 12 25.068 8.195 -4.527 1.00 0.54 C ATOM 154 CG1 ILE A 12 24.716 6.712 -4.402 1.00 22.35 C ATOM 155 CG2 ILE A 12 25.324 8.802 -3.155 1.00 54.21 C ATOM 156 CD1 ILE A 12 25.750 5.907 -3.645 1.00 42.24 C ATOM 0 H ILE A 12 23.997 7.707 -6.930 1.00 70.12 H new ATOM 0 HA ILE A 12 23.151 9.186 -4.529 1.00 32.45 H new ATOM 0 HB ILE A 12 25.980 8.284 -5.118 1.00 0.54 H new ATOM 0 HG12 ILE A 12 23.754 6.616 -3.899 1.00 22.35 H new ATOM 0 HG13 ILE A 12 24.598 6.290 -5.400 1.00 22.35 H new ATOM 0 HG21 ILE A 12 26.125 8.254 -2.659 1.00 54.21 H new ATOM 0 HG22 ILE A 12 25.614 9.847 -3.268 1.00 54.21 H new ATOM 0 HG23 ILE A 12 24.416 8.740 -2.555 1.00 54.21 H new ATOM 0 HD11 ILE A 12 25.435 4.865 -3.595 1.00 42.24 H new ATOM 0 HD12 ILE A 12 26.709 5.972 -4.159 1.00 42.24 H new ATOM 0 HD13 ILE A 12 25.852 6.304 -2.635 1.00 42.24 H new ATOM 168 N ALA A 13 24.219 11.361 -5.137 1.00 34.41 N ATOM 169 CA ALA A 13 24.697 12.666 -5.574 1.00 14.40 C ATOM 170 C ALA A 13 26.183 12.835 -5.276 1.00 74.01 C ATOM 171 O ALA A 13 26.622 12.661 -4.139 1.00 20.53 O ATOM 172 CB ALA A 13 23.894 13.773 -4.906 1.00 74.13 C ATOM 0 H ALA A 13 23.665 11.380 -4.281 1.00 34.41 H new ATOM 0 HA ALA A 13 24.560 12.733 -6.653 1.00 14.40 H new ATOM 0 HB1 ALA A 13 24.262 14.743 -5.242 1.00 74.13 H new ATOM 0 HB2 ALA A 13 22.842 13.672 -5.173 1.00 74.13 H new ATOM 0 HB3 ALA A 13 24.002 13.699 -3.824 1.00 74.13 H new ATOM 178 N LEU A 14 26.952 13.174 -6.304 1.00 44.22 N ATOM 179 CA LEU A 14 28.391 13.366 -6.153 1.00 34.13 C ATOM 180 C LEU A 14 28.708 14.796 -5.728 1.00 14.14 C ATOM 181 O LEU A 14 29.686 15.042 -5.021 1.00 55.22 O ATOM 182 CB LEU A 14 29.109 13.040 -7.463 1.00 43.01 C ATOM 183 CG LEU A 14 28.551 11.860 -8.259 1.00 65.40 C ATOM 184 CD1 LEU A 14 29.407 11.592 -9.488 1.00 10.24 C ATOM 185 CD2 LEU A 14 28.469 10.618 -7.384 1.00 31.53 C ATOM 0 H LEU A 14 26.604 13.322 -7.251 1.00 44.22 H new ATOM 0 HA LEU A 14 28.743 12.689 -5.375 1.00 34.13 H new ATOM 0 HB2 LEU A 14 29.083 13.925 -8.098 1.00 43.01 H new ATOM 0 HB3 LEU A 14 30.157 12.839 -7.239 1.00 43.01 H new ATOM 0 HG LEU A 14 27.544 12.114 -8.591 1.00 65.40 H new ATOM 0 HD11 LEU A 14 28.994 10.749 -10.042 1.00 10.24 H new ATOM 0 HD12 LEU A 14 29.415 12.476 -10.126 1.00 10.24 H new ATOM 0 HD13 LEU A 14 30.426 11.359 -9.178 1.00 10.24 H new ATOM 0 HD21 LEU A 14 28.070 9.788 -7.967 1.00 31.53 H new ATOM 0 HD22 LEU A 14 29.465 10.361 -7.022 1.00 31.53 H new ATOM 0 HD23 LEU A 14 27.814 10.814 -6.535 1.00 31.53 H new ATOM 197 N TYR A 15 27.874 15.735 -6.161 1.00 34.14 N ATOM 198 CA TYR A 15 28.065 17.141 -5.825 1.00 71.12 C ATOM 199 C TYR A 15 26.724 17.859 -5.704 1.00 45.32 C ATOM 200 O TYR A 15 25.731 17.449 -6.305 1.00 42.52 O ATOM 201 CB TYR A 15 28.930 17.826 -6.884 1.00 52.43 C ATOM 202 CG TYR A 15 30.183 17.056 -7.234 1.00 73.25 C ATOM 203 CD1 TYR A 15 31.330 17.167 -6.459 1.00 41.00 C ATOM 204 CD2 TYR A 15 30.219 16.215 -8.341 1.00 15.55 C ATOM 205 CE1 TYR A 15 32.477 16.465 -6.776 1.00 1.42 C ATOM 206 CE2 TYR A 15 31.361 15.509 -8.664 1.00 73.21 C ATOM 207 CZ TYR A 15 32.487 15.638 -7.879 1.00 64.50 C ATOM 208 OH TYR A 15 33.628 14.936 -8.197 1.00 74.21 O ATOM 0 H TYR A 15 27.059 15.548 -6.745 1.00 34.14 H new ATOM 0 HA TYR A 15 28.572 17.193 -4.862 1.00 71.12 H new ATOM 0 HB2 TYR A 15 28.338 17.969 -7.788 1.00 52.43 H new ATOM 0 HB3 TYR A 15 29.211 18.817 -6.526 1.00 52.43 H new ATOM 0 HD1 TYR A 15 31.325 17.813 -5.594 1.00 41.00 H new ATOM 0 HD2 TYR A 15 29.339 16.112 -8.959 1.00 15.55 H new ATOM 0 HE1 TYR A 15 33.361 16.564 -6.163 1.00 1.42 H new ATOM 0 HE2 TYR A 15 31.372 14.859 -9.527 1.00 73.21 H new ATOM 0 HH TYR A 15 33.468 14.399 -9.001 1.00 74.21 H new ATOM 218 N ASP A 16 26.705 18.934 -4.923 1.00 62.23 N ATOM 219 CA ASP A 16 25.488 19.712 -4.723 1.00 42.05 C ATOM 220 C ASP A 16 25.088 20.434 -6.006 1.00 44.42 C ATOM 221 O ASP A 16 25.641 21.483 -6.338 1.00 44.21 O ATOM 222 CB ASP A 16 25.684 20.724 -3.593 1.00 62.15 C ATOM 223 CG ASP A 16 24.531 21.702 -3.486 1.00 1.22 C ATOM 224 OD1 ASP A 16 23.367 21.253 -3.527 1.00 52.01 O ATOM 225 OD2 ASP A 16 24.793 22.917 -3.361 1.00 52.11 O ATOM 0 H ASP A 16 27.518 19.286 -4.418 1.00 62.23 H new ATOM 0 HA ASP A 16 24.687 19.025 -4.449 1.00 42.05 H new ATOM 0 HB2 ASP A 16 25.795 20.192 -2.648 1.00 62.15 H new ATOM 0 HB3 ASP A 16 26.610 21.275 -3.759 1.00 62.15 H new ATOM 230 N TYR A 17 24.126 19.866 -6.724 1.00 12.04 N ATOM 231 CA TYR A 17 23.654 20.454 -7.972 1.00 24.21 C ATOM 232 C TYR A 17 22.565 21.489 -7.709 1.00 40.14 C ATOM 233 O TYR A 17 21.791 21.364 -6.761 1.00 71.30 O ATOM 234 CB TYR A 17 23.124 19.364 -8.905 1.00 34.13 C ATOM 235 CG TYR A 17 22.432 19.905 -10.136 1.00 22.41 C ATOM 236 CD1 TYR A 17 23.162 20.470 -11.175 1.00 22.54 C ATOM 237 CD2 TYR A 17 21.050 19.852 -10.260 1.00 75.53 C ATOM 238 CE1 TYR A 17 22.535 20.965 -12.301 1.00 50.52 C ATOM 239 CE2 TYR A 17 20.414 20.344 -11.384 1.00 20.42 C ATOM 240 CZ TYR A 17 21.161 20.900 -12.401 1.00 71.33 C ATOM 241 OH TYR A 17 20.531 21.392 -13.521 1.00 44.35 O ATOM 0 H TYR A 17 23.657 18.998 -6.463 1.00 12.04 H new ATOM 0 HA TYR A 17 24.496 20.954 -8.450 1.00 24.21 H new ATOM 0 HB2 TYR A 17 23.953 18.728 -9.215 1.00 34.13 H new ATOM 0 HB3 TYR A 17 22.426 18.733 -8.354 1.00 34.13 H new ATOM 0 HD1 TYR A 17 24.238 20.523 -11.100 1.00 22.54 H new ATOM 0 HD2 TYR A 17 20.462 19.419 -9.464 1.00 75.53 H new ATOM 0 HE1 TYR A 17 23.117 21.401 -13.099 1.00 50.52 H new ATOM 0 HE2 TYR A 17 19.338 20.293 -11.465 1.00 20.42 H new ATOM 0 HH TYR A 17 19.563 21.268 -13.433 1.00 44.35 H new ATOM 251 N GLN A 18 22.512 22.511 -8.558 1.00 4.04 N ATOM 252 CA GLN A 18 21.518 23.569 -8.418 1.00 23.41 C ATOM 253 C GLN A 18 20.920 23.935 -9.772 1.00 12.41 C ATOM 254 O GLN A 18 21.642 24.261 -10.715 1.00 10.22 O ATOM 255 CB GLN A 18 22.146 24.805 -7.772 1.00 52.35 C ATOM 256 CG GLN A 18 22.160 24.757 -6.253 1.00 45.51 C ATOM 257 CD GLN A 18 22.488 26.100 -5.630 1.00 43.11 C ATOM 258 OE1 GLN A 18 23.553 26.668 -5.875 1.00 23.41 O ATOM 259 NE2 GLN A 18 21.572 26.616 -4.819 1.00 41.22 N ATOM 0 H GLN A 18 23.145 22.629 -9.349 1.00 4.04 H new ATOM 0 HA GLN A 18 20.718 23.200 -7.776 1.00 23.41 H new ATOM 0 HB2 GLN A 18 23.169 24.913 -8.133 1.00 52.35 H new ATOM 0 HB3 GLN A 18 21.599 25.691 -8.094 1.00 52.35 H new ATOM 0 HG2 GLN A 18 21.186 24.423 -5.895 1.00 45.51 H new ATOM 0 HG3 GLN A 18 22.892 24.019 -5.923 1.00 45.51 H new ATOM 0 HE21 GLN A 18 20.703 26.111 -4.644 1.00 41.22 H new ATOM 0 HE22 GLN A 18 21.737 27.517 -4.371 1.00 41.22 H new ATOM 268 N THR A 19 19.595 23.880 -9.862 1.00 54.13 N ATOM 269 CA THR A 19 18.899 24.205 -11.101 1.00 33.20 C ATOM 270 C THR A 19 18.521 25.681 -11.149 1.00 35.25 C ATOM 271 O THR A 19 18.489 26.356 -10.121 1.00 12.31 O ATOM 272 CB THR A 19 17.625 23.355 -11.270 1.00 24.44 C ATOM 273 OG1 THR A 19 16.906 23.776 -12.434 1.00 32.43 O ATOM 274 CG2 THR A 19 16.731 23.471 -10.045 1.00 30.14 C ATOM 0 H THR A 19 18.982 23.613 -9.091 1.00 54.13 H new ATOM 0 HA THR A 19 19.587 23.982 -11.917 1.00 33.20 H new ATOM 0 HB THR A 19 17.923 22.313 -11.385 1.00 24.44 H new ATOM 0 HG1 THR A 19 15.999 24.046 -12.179 1.00 32.43 H new ATOM 0 HG21 THR A 19 15.838 22.863 -10.187 1.00 30.14 H new ATOM 0 HG22 THR A 19 17.272 23.122 -9.165 1.00 30.14 H new ATOM 0 HG23 THR A 19 16.442 24.512 -9.903 1.00 30.14 H new ATOM 282 N ASN A 20 18.234 26.175 -12.348 1.00 54.05 N ATOM 283 CA ASN A 20 17.857 27.572 -12.529 1.00 50.35 C ATOM 284 C ASN A 20 16.340 27.725 -12.573 1.00 14.52 C ATOM 285 O ASN A 20 15.803 28.788 -12.258 1.00 5.11 O ATOM 286 CB ASN A 20 18.474 28.126 -13.816 1.00 34.23 C ATOM 287 CG ASN A 20 18.307 29.628 -13.937 1.00 13.32 C ATOM 288 OD1 ASN A 20 19.019 30.397 -13.291 1.00 40.21 O ATOM 289 ND2 ASN A 20 17.362 30.053 -14.767 1.00 54.42 N ATOM 0 H ASN A 20 18.255 25.629 -13.209 1.00 54.05 H new ATOM 0 HA ASN A 20 18.237 28.138 -11.678 1.00 50.35 H new ATOM 0 HB2 ASN A 20 19.535 27.878 -13.843 1.00 34.23 H new ATOM 0 HB3 ASN A 20 18.011 27.641 -14.676 1.00 34.23 H new ATOM 0 HD21 ASN A 20 17.203 31.053 -14.889 1.00 54.42 H new ATOM 0 HD22 ASN A 20 16.795 29.379 -15.282 1.00 54.42 H new ATOM 296 N ASP A 21 15.654 26.657 -12.964 1.00 52.21 N ATOM 297 CA ASP A 21 14.198 26.672 -13.047 1.00 71.41 C ATOM 298 C ASP A 21 13.594 25.564 -12.190 1.00 32.22 C ATOM 299 O ASP A 21 14.258 24.591 -11.831 1.00 74.11 O ATOM 300 CB ASP A 21 13.747 26.513 -14.500 1.00 30.51 C ATOM 301 CG ASP A 21 13.669 27.839 -15.230 1.00 64.35 C ATOM 302 OD1 ASP A 21 12.815 28.671 -14.861 1.00 14.02 O ATOM 303 OD2 ASP A 21 14.464 28.045 -16.171 1.00 71.44 O ATOM 0 H ASP A 21 16.082 25.770 -13.228 1.00 52.21 H new ATOM 0 HA ASP A 21 13.847 27.632 -12.669 1.00 71.41 H new ATOM 0 HB2 ASP A 21 14.440 25.854 -15.023 1.00 30.51 H new ATOM 0 HB3 ASP A 21 12.770 26.031 -14.523 1.00 30.51 H new ATOM 308 N PRO A 22 12.304 25.713 -11.852 1.00 4.23 N ATOM 309 CA PRO A 22 11.583 24.736 -11.032 1.00 34.51 C ATOM 310 C PRO A 22 11.338 23.426 -11.773 1.00 71.51 C ATOM 311 O PRO A 22 11.019 22.407 -11.161 1.00 65.51 O ATOM 312 CB PRO A 22 10.255 25.436 -10.731 1.00 61.24 C ATOM 313 CG PRO A 22 10.071 26.397 -11.854 1.00 41.24 C ATOM 314 CD PRO A 22 11.452 26.848 -12.244 1.00 72.11 C ATOM 0 HA PRO A 22 12.146 24.458 -10.141 1.00 34.51 H new ATOM 0 HB2 PRO A 22 9.433 24.722 -10.682 1.00 61.24 H new ATOM 0 HB3 PRO A 22 10.287 25.951 -9.771 1.00 61.24 H new ATOM 0 HG2 PRO A 22 9.564 25.923 -12.694 1.00 41.24 H new ATOM 0 HG3 PRO A 22 9.456 27.243 -11.547 1.00 41.24 H new ATOM 0 HD2 PRO A 22 11.521 27.052 -13.312 1.00 72.11 H new ATOM 0 HD3 PRO A 22 11.738 27.763 -11.725 1.00 72.11 H new ATOM 322 N GLN A 23 11.489 23.461 -13.093 1.00 64.41 N ATOM 323 CA GLN A 23 11.284 22.275 -13.917 1.00 2.02 C ATOM 324 C GLN A 23 12.229 21.153 -13.500 1.00 63.34 C ATOM 325 O GLN A 23 11.862 19.979 -13.525 1.00 72.32 O ATOM 326 CB GLN A 23 11.493 22.612 -15.394 1.00 43.11 C ATOM 327 CG GLN A 23 10.703 21.722 -16.339 1.00 75.11 C ATOM 328 CD GLN A 23 9.214 21.744 -16.053 1.00 51.32 C ATOM 329 OE1 GLN A 23 8.586 22.803 -16.053 1.00 11.41 O ATOM 330 NE2 GLN A 23 8.640 20.572 -15.808 1.00 43.00 N ATOM 0 H GLN A 23 11.752 24.297 -13.615 1.00 64.41 H new ATOM 0 HA GLN A 23 10.259 21.935 -13.771 1.00 2.02 H new ATOM 0 HB2 GLN A 23 11.210 23.651 -15.565 1.00 43.11 H new ATOM 0 HB3 GLN A 23 12.554 22.528 -15.631 1.00 43.11 H new ATOM 0 HG2 GLN A 23 10.877 22.044 -17.366 1.00 75.11 H new ATOM 0 HG3 GLN A 23 11.069 20.698 -16.260 1.00 75.11 H new ATOM 0 HE21 GLN A 23 9.199 19.719 -15.818 1.00 43.00 H new ATOM 0 HE22 GLN A 23 7.641 20.525 -15.610 1.00 43.00 H new ATOM 339 N GLU A 24 13.448 21.523 -13.119 1.00 32.33 N ATOM 340 CA GLU A 24 14.445 20.546 -12.698 1.00 64.23 C ATOM 341 C GLU A 24 14.635 20.579 -11.185 1.00 3.24 C ATOM 342 O GLU A 24 14.244 21.539 -10.519 1.00 40.12 O ATOM 343 CB GLU A 24 15.780 20.814 -13.397 1.00 21.02 C ATOM 344 CG GLU A 24 15.635 21.200 -14.859 1.00 50.22 C ATOM 345 CD GLU A 24 16.674 20.538 -15.743 1.00 72.03 C ATOM 346 OE1 GLU A 24 17.841 20.435 -15.313 1.00 44.10 O ATOM 347 OE2 GLU A 24 16.318 20.122 -16.866 1.00 41.31 O ATOM 0 H GLU A 24 13.768 22.491 -13.093 1.00 32.33 H new ATOM 0 HA GLU A 24 14.087 19.556 -12.980 1.00 64.23 H new ATOM 0 HB2 GLU A 24 16.303 21.612 -12.870 1.00 21.02 H new ATOM 0 HB3 GLU A 24 16.403 19.923 -13.325 1.00 21.02 H new ATOM 0 HG2 GLU A 24 14.639 20.925 -15.207 1.00 50.22 H new ATOM 0 HG3 GLU A 24 15.718 22.283 -14.955 1.00 50.22 H new ATOM 354 N LEU A 25 15.238 19.524 -10.647 1.00 12.53 N ATOM 355 CA LEU A 25 15.480 19.431 -9.211 1.00 51.31 C ATOM 356 C LEU A 25 16.956 19.650 -8.892 1.00 75.55 C ATOM 357 O LEU A 25 17.793 19.704 -9.792 1.00 44.41 O ATOM 358 CB LEU A 25 15.029 18.067 -8.685 1.00 42.34 C ATOM 359 CG LEU A 25 13.884 18.083 -7.673 1.00 14.42 C ATOM 360 CD1 LEU A 25 12.708 18.886 -8.209 1.00 63.21 C ATOM 361 CD2 LEU A 25 13.452 16.664 -7.333 1.00 2.20 C ATOM 0 H LEU A 25 15.568 18.722 -11.183 1.00 12.53 H new ATOM 0 HA LEU A 25 14.901 20.213 -8.719 1.00 51.31 H new ATOM 0 HB2 LEU A 25 14.728 17.454 -9.534 1.00 42.34 H new ATOM 0 HB3 LEU A 25 15.887 17.576 -8.225 1.00 42.34 H new ATOM 0 HG LEU A 25 14.239 18.562 -6.760 1.00 14.42 H new ATOM 0 HD11 LEU A 25 11.903 18.886 -7.475 1.00 63.21 H new ATOM 0 HD12 LEU A 25 13.025 19.911 -8.400 1.00 63.21 H new ATOM 0 HD13 LEU A 25 12.353 18.437 -9.137 1.00 63.21 H new ATOM 0 HD21 LEU A 25 12.636 16.695 -6.611 1.00 2.20 H new ATOM 0 HD22 LEU A 25 13.116 16.159 -8.239 1.00 2.20 H new ATOM 0 HD23 LEU A 25 14.294 16.120 -6.905 1.00 2.20 H new ATOM 373 N ALA A 26 17.266 19.771 -7.606 1.00 1.20 N ATOM 374 CA ALA A 26 18.641 19.979 -7.168 1.00 71.24 C ATOM 375 C ALA A 26 19.172 18.755 -6.429 1.00 45.45 C ATOM 376 O ALA A 26 18.414 18.027 -5.787 1.00 45.32 O ATOM 377 CB ALA A 26 18.732 21.213 -6.284 1.00 3.25 C ATOM 0 H ALA A 26 16.584 19.729 -6.849 1.00 1.20 H new ATOM 0 HA ALA A 26 19.259 20.133 -8.052 1.00 71.24 H new ATOM 0 HB1 ALA A 26 19.764 21.356 -5.964 1.00 3.25 H new ATOM 0 HB2 ALA A 26 18.401 22.087 -6.845 1.00 3.25 H new ATOM 0 HB3 ALA A 26 18.096 21.081 -5.409 1.00 3.25 H new ATOM 383 N LEU A 27 20.479 18.534 -6.525 1.00 11.13 N ATOM 384 CA LEU A 27 21.112 17.397 -5.865 1.00 44.44 C ATOM 385 C LEU A 27 21.867 17.843 -4.617 1.00 42.32 C ATOM 386 O LEU A 27 22.217 19.015 -4.477 1.00 3.20 O ATOM 387 CB LEU A 27 22.069 16.692 -6.829 1.00 35.23 C ATOM 388 CG LEU A 27 21.479 16.280 -8.178 1.00 70.01 C ATOM 389 CD1 LEU A 27 22.584 16.069 -9.201 1.00 40.24 C ATOM 390 CD2 LEU A 27 20.639 15.020 -8.031 1.00 34.14 C ATOM 0 H LEU A 27 21.120 19.126 -7.053 1.00 11.13 H new ATOM 0 HA LEU A 27 20.329 16.701 -5.564 1.00 44.44 H new ATOM 0 HB2 LEU A 27 22.918 17.350 -7.012 1.00 35.23 H new ATOM 0 HB3 LEU A 27 22.457 15.800 -6.337 1.00 35.23 H new ATOM 0 HG LEU A 27 20.833 17.084 -8.531 1.00 70.01 H new ATOM 0 HD11 LEU A 27 22.146 15.776 -10.155 1.00 40.24 H new ATOM 0 HD12 LEU A 27 23.144 16.996 -9.328 1.00 40.24 H new ATOM 0 HD13 LEU A 27 23.256 15.284 -8.854 1.00 40.24 H new ATOM 0 HD21 LEU A 27 20.227 14.742 -9.001 1.00 34.14 H new ATOM 0 HD22 LEU A 27 21.263 14.209 -7.655 1.00 34.14 H new ATOM 0 HD23 LEU A 27 19.824 15.205 -7.331 1.00 34.14 H new ATOM 402 N ARG A 28 22.116 16.900 -3.714 1.00 42.42 N ATOM 403 CA ARG A 28 22.831 17.196 -2.478 1.00 54.02 C ATOM 404 C ARG A 28 23.963 16.198 -2.253 1.00 13.14 C ATOM 405 O ARG A 28 23.749 14.986 -2.279 1.00 64.13 O ATOM 406 CB ARG A 28 21.868 17.169 -1.289 1.00 44.41 C ATOM 407 CG ARG A 28 22.493 17.649 0.011 1.00 42.12 C ATOM 408 CD ARG A 28 22.935 19.101 -0.086 1.00 62.10 C ATOM 409 NE ARG A 28 23.157 19.694 1.230 1.00 44.32 N ATOM 410 CZ ARG A 28 23.380 20.989 1.424 1.00 41.42 C ATOM 411 NH1 ARG A 28 23.410 21.822 0.392 1.00 13.15 N ATOM 412 NH2 ARG A 28 23.573 21.454 2.652 1.00 63.04 N ATOM 0 H ARG A 28 21.833 15.925 -3.815 1.00 42.42 H new ATOM 0 HA ARG A 28 23.262 18.193 -2.566 1.00 54.02 H new ATOM 0 HB2 ARG A 28 21.003 17.792 -1.518 1.00 44.41 H new ATOM 0 HB3 ARG A 28 21.501 16.152 -1.152 1.00 44.41 H new ATOM 0 HG2 ARG A 28 21.775 17.540 0.823 1.00 42.12 H new ATOM 0 HG3 ARG A 28 23.350 17.022 0.257 1.00 42.12 H new ATOM 0 HD2 ARG A 28 23.853 19.162 -0.671 1.00 62.10 H new ATOM 0 HD3 ARG A 28 22.178 19.676 -0.620 1.00 62.10 H new ATOM 0 HE ARG A 28 23.140 19.080 2.045 1.00 44.32 H new ATOM 0 HH11 ARG A 28 23.262 21.469 -0.553 1.00 13.15 H new ATOM 0 HH12 ARG A 28 23.581 22.816 0.544 1.00 13.15 H new ATOM 0 HH21 ARG A 28 23.550 20.817 3.448 1.00 63.04 H new ATOM 0 HH22 ARG A 28 23.744 22.449 2.800 1.00 63.04 H new ATOM 426 N ARG A 29 25.166 16.716 -2.031 1.00 42.50 N ATOM 427 CA ARG A 29 26.332 15.871 -1.803 1.00 11.33 C ATOM 428 C ARG A 29 26.050 14.839 -0.715 1.00 22.11 C ATOM 429 O ARG A 29 25.487 15.162 0.330 1.00 70.30 O ATOM 430 CB ARG A 29 27.539 16.725 -1.410 1.00 13.53 C ATOM 431 CG ARG A 29 28.854 16.222 -1.983 1.00 15.25 C ATOM 432 CD ARG A 29 30.042 16.749 -1.194 1.00 45.14 C ATOM 433 NE ARG A 29 30.982 17.477 -2.043 1.00 25.32 N ATOM 434 CZ ARG A 29 30.789 18.726 -2.451 1.00 74.34 C ATOM 435 NH1 ARG A 29 29.695 19.383 -2.091 1.00 32.54 N ATOM 436 NH2 ARG A 29 31.690 19.320 -3.222 1.00 43.50 N ATOM 0 H ARG A 29 25.359 17.717 -2.004 1.00 42.50 H new ATOM 0 HA ARG A 29 26.555 15.345 -2.731 1.00 11.33 H new ATOM 0 HB2 ARG A 29 27.374 17.749 -1.746 1.00 13.53 H new ATOM 0 HB3 ARG A 29 27.614 16.755 -0.323 1.00 13.53 H new ATOM 0 HG2 ARG A 29 28.864 15.132 -1.973 1.00 15.25 H new ATOM 0 HG3 ARG A 29 28.941 16.532 -3.024 1.00 15.25 H new ATOM 0 HD2 ARG A 29 29.687 17.406 -0.400 1.00 45.14 H new ATOM 0 HD3 ARG A 29 30.557 15.917 -0.714 1.00 45.14 H new ATOM 0 HE ARG A 29 31.834 17.000 -2.339 1.00 25.32 H new ATOM 0 HH11 ARG A 29 28.999 18.929 -1.499 1.00 32.54 H new ATOM 0 HH12 ARG A 29 29.549 20.342 -2.406 1.00 32.54 H new ATOM 0 HH21 ARG A 29 32.532 18.817 -3.502 1.00 43.50 H new ATOM 0 HH22 ARG A 29 31.541 20.279 -3.535 1.00 43.50 H new ATOM 450 N ASN A 30 26.446 13.596 -0.969 1.00 71.24 N ATOM 451 CA ASN A 30 26.235 12.516 -0.012 1.00 60.45 C ATOM 452 C ASN A 30 24.746 12.271 0.212 1.00 11.03 C ATOM 453 O ASN A 30 24.289 12.172 1.350 1.00 15.23 O ATOM 454 CB ASN A 30 26.916 12.844 1.318 1.00 52.53 C ATOM 455 CG ASN A 30 28.279 13.481 1.128 1.00 51.34 C ATOM 456 OD1 ASN A 30 29.099 12.998 0.346 1.00 15.34 O ATOM 457 ND2 ASN A 30 28.527 14.572 1.844 1.00 63.32 N ATOM 0 H ASN A 30 26.915 13.312 -1.829 1.00 71.24 H new ATOM 0 HA ASN A 30 26.676 11.608 -0.423 1.00 60.45 H new ATOM 0 HB2 ASN A 30 26.280 13.518 1.892 1.00 52.53 H new ATOM 0 HB3 ASN A 30 27.023 11.931 1.903 1.00 52.53 H new ATOM 0 HD21 ASN A 30 29.427 15.045 1.758 1.00 63.32 H new ATOM 0 HD22 ASN A 30 27.818 14.937 2.480 1.00 63.32 H new ATOM 464 N GLU A 31 23.996 12.174 -0.881 1.00 60.11 N ATOM 465 CA GLU A 31 22.559 11.941 -0.803 1.00 13.05 C ATOM 466 C GLU A 31 22.112 10.934 -1.858 1.00 62.14 C ATOM 467 O GLU A 31 22.794 10.728 -2.862 1.00 4.14 O ATOM 468 CB GLU A 31 21.796 13.256 -0.981 1.00 21.51 C ATOM 469 CG GLU A 31 20.485 13.307 -0.215 1.00 53.13 C ATOM 470 CD GLU A 31 20.684 13.551 1.268 1.00 24.30 C ATOM 471 OE1 GLU A 31 21.677 13.038 1.826 1.00 42.44 O ATOM 472 OE2 GLU A 31 19.847 14.254 1.871 1.00 10.30 O ATOM 0 H GLU A 31 24.360 12.253 -1.831 1.00 60.11 H new ATOM 0 HA GLU A 31 22.337 11.531 0.182 1.00 13.05 H new ATOM 0 HB2 GLU A 31 22.430 14.081 -0.655 1.00 21.51 H new ATOM 0 HB3 GLU A 31 21.594 13.408 -2.041 1.00 21.51 H new ATOM 0 HG2 GLU A 31 19.858 14.097 -0.628 1.00 53.13 H new ATOM 0 HG3 GLU A 31 19.950 12.368 -0.356 1.00 53.13 H new ATOM 479 N GLU A 32 20.962 10.309 -1.623 1.00 44.44 N ATOM 480 CA GLU A 32 20.426 9.323 -2.553 1.00 73.25 C ATOM 481 C GLU A 32 19.160 9.844 -3.229 1.00 23.33 C ATOM 482 O GLU A 32 18.466 10.706 -2.690 1.00 34.55 O ATOM 483 CB GLU A 32 20.125 8.012 -1.824 1.00 20.02 C ATOM 484 CG GLU A 32 21.296 7.043 -1.805 1.00 13.52 C ATOM 485 CD GLU A 32 21.276 6.128 -0.596 1.00 73.34 C ATOM 486 OE1 GLU A 32 20.800 6.567 0.472 1.00 63.41 O ATOM 487 OE2 GLU A 32 21.735 4.973 -0.718 1.00 42.25 O ATOM 0 H GLU A 32 20.385 10.468 -0.797 1.00 44.44 H new ATOM 0 HA GLU A 32 21.178 9.139 -3.320 1.00 73.25 H new ATOM 0 HB2 GLU A 32 19.833 8.235 -0.798 1.00 20.02 H new ATOM 0 HB3 GLU A 32 19.272 7.529 -2.300 1.00 20.02 H new ATOM 0 HG2 GLU A 32 21.279 6.440 -2.713 1.00 13.52 H new ATOM 0 HG3 GLU A 32 22.229 7.606 -1.814 1.00 13.52 H new ATOM 494 N TYR A 33 18.868 9.315 -4.412 1.00 32.14 N ATOM 495 CA TYR A 33 17.688 9.728 -5.163 1.00 22.32 C ATOM 496 C TYR A 33 17.074 8.545 -5.906 1.00 10.24 C ATOM 497 O TYR A 33 17.764 7.827 -6.631 1.00 13.13 O ATOM 498 CB TYR A 33 18.051 10.835 -6.154 1.00 72.53 C ATOM 499 CG TYR A 33 18.438 12.138 -5.492 1.00 74.33 C ATOM 500 CD1 TYR A 33 17.472 13.072 -5.136 1.00 64.14 C ATOM 501 CD2 TYR A 33 19.768 12.435 -5.224 1.00 13.45 C ATOM 502 CE1 TYR A 33 17.821 14.264 -4.532 1.00 10.21 C ATOM 503 CE2 TYR A 33 20.125 13.624 -4.618 1.00 44.51 C ATOM 504 CZ TYR A 33 19.149 14.536 -4.274 1.00 74.34 C ATOM 505 OH TYR A 33 19.501 15.722 -3.673 1.00 31.15 O ATOM 0 H TYR A 33 19.432 8.600 -4.871 1.00 32.14 H new ATOM 0 HA TYR A 33 16.953 10.110 -4.455 1.00 22.32 H new ATOM 0 HB2 TYR A 33 18.877 10.495 -6.779 1.00 72.53 H new ATOM 0 HB3 TYR A 33 17.203 11.011 -6.816 1.00 72.53 H new ATOM 0 HD1 TYR A 33 16.431 12.862 -5.335 1.00 64.14 H new ATOM 0 HD2 TYR A 33 20.536 11.725 -5.494 1.00 13.45 H new ATOM 0 HE1 TYR A 33 17.058 14.980 -4.263 1.00 10.21 H new ATOM 0 HE2 TYR A 33 21.164 13.839 -4.414 1.00 44.51 H new ATOM 0 HH TYR A 33 20.095 15.541 -2.915 1.00 31.15 H new ATOM 515 N CYS A 34 15.773 8.350 -5.720 1.00 63.31 N ATOM 516 CA CYS A 34 15.064 7.254 -6.372 1.00 1.41 C ATOM 517 C CYS A 34 14.949 7.499 -7.873 1.00 75.50 C ATOM 518 O CYS A 34 14.156 8.329 -8.319 1.00 13.23 O ATOM 519 CB CYS A 34 13.672 7.086 -5.762 1.00 31.03 C ATOM 520 SG CYS A 34 13.614 5.946 -4.359 1.00 54.31 S ATOM 0 H CYS A 34 15.188 8.936 -5.124 1.00 63.31 H new ATOM 0 HA CYS A 34 15.635 6.339 -6.214 1.00 1.41 H new ATOM 0 HB2 CYS A 34 13.308 8.061 -5.439 1.00 31.03 H new ATOM 0 HB3 CYS A 34 12.989 6.731 -6.534 1.00 31.03 H new ATOM 0 HG CYS A 34 12.396 5.872 -3.910 1.00 54.31 H new ATOM 526 N LEU A 35 15.745 6.771 -8.648 1.00 40.03 N ATOM 527 CA LEU A 35 15.734 6.909 -10.101 1.00 12.35 C ATOM 528 C LEU A 35 14.367 6.547 -10.671 1.00 75.04 C ATOM 529 O LEU A 35 13.774 5.534 -10.297 1.00 13.45 O ATOM 530 CB LEU A 35 16.812 6.022 -10.725 1.00 75.34 C ATOM 531 CG LEU A 35 17.440 6.539 -12.020 1.00 3.45 C ATOM 532 CD1 LEU A 35 16.395 6.636 -13.120 1.00 33.43 C ATOM 533 CD2 LEU A 35 18.100 7.891 -11.788 1.00 51.14 C ATOM 0 H LEU A 35 16.406 6.079 -8.295 1.00 40.03 H new ATOM 0 HA LEU A 35 15.944 7.950 -10.345 1.00 12.35 H new ATOM 0 HB2 LEU A 35 17.606 5.879 -9.992 1.00 75.34 H new ATOM 0 HB3 LEU A 35 16.379 5.041 -10.921 1.00 75.34 H new ATOM 0 HG LEU A 35 18.206 5.831 -12.338 1.00 3.45 H new ATOM 0 HD11 LEU A 35 16.861 7.006 -14.033 1.00 33.43 H new ATOM 0 HD12 LEU A 35 15.968 5.650 -13.304 1.00 33.43 H new ATOM 0 HD13 LEU A 35 15.606 7.322 -12.812 1.00 33.43 H new ATOM 0 HD21 LEU A 35 18.542 8.245 -12.719 1.00 51.14 H new ATOM 0 HD22 LEU A 35 17.353 8.607 -11.446 1.00 51.14 H new ATOM 0 HD23 LEU A 35 18.879 7.791 -11.032 1.00 51.14 H new ATOM 545 N LEU A 36 13.872 7.379 -11.581 1.00 70.24 N ATOM 546 CA LEU A 36 12.575 7.145 -12.207 1.00 11.31 C ATOM 547 C LEU A 36 12.715 7.017 -13.720 1.00 42.33 C ATOM 548 O LEU A 36 12.209 6.071 -14.323 1.00 34.21 O ATOM 549 CB LEU A 36 11.611 8.283 -11.867 1.00 75.00 C ATOM 550 CG LEU A 36 11.507 8.656 -10.388 1.00 31.33 C ATOM 551 CD1 LEU A 36 11.412 10.165 -10.223 1.00 33.52 C ATOM 552 CD2 LEU A 36 10.308 7.971 -9.748 1.00 21.32 C ATOM 0 H LEU A 36 14.349 8.222 -11.902 1.00 70.24 H new ATOM 0 HA LEU A 36 12.175 6.209 -11.818 1.00 11.31 H new ATOM 0 HB2 LEU A 36 11.916 9.169 -12.424 1.00 75.00 H new ATOM 0 HB3 LEU A 36 10.618 8.009 -12.223 1.00 75.00 H new ATOM 0 HG LEU A 36 12.409 8.312 -9.882 1.00 31.33 H new ATOM 0 HD11 LEU A 36 11.339 10.411 -9.164 1.00 33.52 H new ATOM 0 HD12 LEU A 36 12.302 10.634 -10.644 1.00 33.52 H new ATOM 0 HD13 LEU A 36 10.528 10.533 -10.743 1.00 33.52 H new ATOM 0 HD21 LEU A 36 10.250 8.248 -8.695 1.00 21.32 H new ATOM 0 HD22 LEU A 36 9.396 8.284 -10.257 1.00 21.32 H new ATOM 0 HD23 LEU A 36 10.418 6.890 -9.833 1.00 21.32 H new ATOM 564 N ASP A 37 13.408 7.974 -14.328 1.00 14.51 N ATOM 565 CA ASP A 37 13.618 7.967 -15.771 1.00 11.40 C ATOM 566 C ASP A 37 15.067 8.301 -16.111 1.00 1.55 C ATOM 567 O ASP A 37 15.561 9.378 -15.776 1.00 40.34 O ATOM 568 CB ASP A 37 12.679 8.966 -16.450 1.00 31.14 C ATOM 569 CG ASP A 37 11.789 8.311 -17.487 1.00 71.53 C ATOM 570 OD1 ASP A 37 10.747 7.741 -17.100 1.00 41.24 O ATOM 571 OD2 ASP A 37 12.135 8.366 -18.686 1.00 55.13 O ATOM 0 H ASP A 37 13.834 8.764 -13.844 1.00 14.51 H new ATOM 0 HA ASP A 37 13.398 6.965 -16.140 1.00 11.40 H new ATOM 0 HB2 ASP A 37 12.058 9.448 -15.695 1.00 31.14 H new ATOM 0 HB3 ASP A 37 13.269 9.750 -16.925 1.00 31.14 H new ATOM 576 N SER A 38 15.744 7.370 -16.776 1.00 14.35 N ATOM 577 CA SER A 38 17.138 7.564 -17.156 1.00 71.20 C ATOM 578 C SER A 38 17.345 7.253 -18.635 1.00 44.43 C ATOM 579 O SER A 38 17.632 6.116 -19.008 1.00 31.20 O ATOM 580 CB SER A 38 18.049 6.677 -16.305 1.00 13.24 C ATOM 581 OG SER A 38 17.521 5.367 -16.188 1.00 42.12 O ATOM 0 H SER A 38 15.349 6.474 -17.063 1.00 14.35 H new ATOM 0 HA SER A 38 17.395 8.609 -16.982 1.00 71.20 H new ATOM 0 HB2 SER A 38 19.042 6.634 -16.753 1.00 13.24 H new ATOM 0 HB3 SER A 38 18.166 7.115 -15.314 1.00 13.24 H new ATOM 0 HG SER A 38 17.314 5.017 -17.080 1.00 42.12 H new ATOM 587 N SER A 39 17.198 8.274 -19.474 1.00 3.11 N ATOM 588 CA SER A 39 17.365 8.111 -20.913 1.00 45.03 C ATOM 589 C SER A 39 18.779 8.492 -21.343 1.00 21.13 C ATOM 590 O SER A 39 19.402 7.800 -22.148 1.00 13.24 O ATOM 591 CB SER A 39 16.344 8.965 -21.667 1.00 11.13 C ATOM 592 OG SER A 39 15.022 8.529 -21.404 1.00 15.04 O ATOM 0 H SER A 39 16.964 9.223 -19.181 1.00 3.11 H new ATOM 0 HA SER A 39 17.200 7.061 -21.156 1.00 45.03 H new ATOM 0 HB2 SER A 39 16.451 10.009 -21.374 1.00 11.13 H new ATOM 0 HB3 SER A 39 16.541 8.913 -22.738 1.00 11.13 H new ATOM 0 HG SER A 39 14.388 9.092 -21.896 1.00 15.04 H new ATOM 598 N GLU A 40 19.278 9.597 -20.799 1.00 4.42 N ATOM 599 CA GLU A 40 20.618 10.071 -21.126 1.00 41.11 C ATOM 600 C GLU A 40 21.106 11.081 -20.091 1.00 40.03 C ATOM 601 O GLU A 40 20.312 11.648 -19.340 1.00 42.42 O ATOM 602 CB GLU A 40 20.633 10.704 -22.519 1.00 41.01 C ATOM 603 CG GLU A 40 22.005 10.704 -23.173 1.00 33.01 C ATOM 604 CD GLU A 40 21.930 10.767 -24.686 1.00 53.31 C ATOM 605 OE1 GLU A 40 21.560 9.747 -25.304 1.00 41.03 O ATOM 606 OE2 GLU A 40 22.241 11.836 -25.252 1.00 14.11 O ATOM 0 H GLU A 40 18.775 10.181 -20.130 1.00 4.42 H new ATOM 0 HA GLU A 40 21.291 9.214 -21.117 1.00 41.11 H new ATOM 0 HB2 GLU A 40 19.934 10.167 -23.160 1.00 41.01 H new ATOM 0 HB3 GLU A 40 20.275 11.731 -22.446 1.00 41.01 H new ATOM 0 HG2 GLU A 40 22.578 11.555 -22.806 1.00 33.01 H new ATOM 0 HG3 GLU A 40 22.545 9.804 -22.877 1.00 33.01 H new ATOM 613 N ILE A 41 22.416 11.299 -20.058 1.00 43.35 N ATOM 614 CA ILE A 41 23.010 12.240 -19.117 1.00 0.40 C ATOM 615 C ILE A 41 22.382 13.623 -19.252 1.00 14.22 C ATOM 616 O ILE A 41 22.474 14.450 -18.344 1.00 41.31 O ATOM 617 CB ILE A 41 24.532 12.358 -19.323 1.00 12.12 C ATOM 618 CG1 ILE A 41 25.128 13.353 -18.325 1.00 52.31 C ATOM 619 CG2 ILE A 41 24.842 12.781 -20.751 1.00 11.31 C ATOM 620 CD1 ILE A 41 26.639 13.413 -18.361 1.00 31.03 C ATOM 0 H ILE A 41 23.086 10.837 -20.672 1.00 43.35 H new ATOM 0 HA ILE A 41 22.816 11.851 -18.117 1.00 0.40 H new ATOM 0 HB ILE A 41 24.984 11.382 -19.148 1.00 12.12 H new ATOM 0 HG12 ILE A 41 24.728 14.346 -18.531 1.00 52.31 H new ATOM 0 HG13 ILE A 41 24.807 13.083 -17.319 1.00 52.31 H new ATOM 0 HG21 ILE A 41 25.921 12.860 -20.881 1.00 11.31 H new ATOM 0 HG22 ILE A 41 24.446 12.039 -21.444 1.00 11.31 H new ATOM 0 HG23 ILE A 41 24.381 13.748 -20.952 1.00 11.31 H new ATOM 0 HD11 ILE A 41 26.992 14.138 -17.628 1.00 31.03 H new ATOM 0 HD12 ILE A 41 27.048 12.431 -18.125 1.00 31.03 H new ATOM 0 HD13 ILE A 41 26.968 13.713 -19.356 1.00 31.03 H new ATOM 632 N HIS A 42 21.740 13.867 -20.390 1.00 43.33 N ATOM 633 CA HIS A 42 21.093 15.150 -20.644 1.00 24.15 C ATOM 634 C HIS A 42 20.128 15.503 -19.516 1.00 53.25 C ATOM 635 O HIS A 42 20.134 16.625 -19.010 1.00 2.04 O ATOM 636 CB HIS A 42 20.347 15.114 -21.978 1.00 4.23 C ATOM 637 CG HIS A 42 21.252 15.139 -23.171 1.00 24.22 C ATOM 638 ND1 HIS A 42 22.415 14.401 -23.249 1.00 11.20 N ATOM 639 CD2 HIS A 42 21.159 15.816 -24.339 1.00 3.52 C ATOM 640 CE1 HIS A 42 22.999 14.626 -24.413 1.00 34.53 C ATOM 641 NE2 HIS A 42 22.257 15.481 -25.093 1.00 75.51 N ATOM 0 H HIS A 42 21.654 13.193 -21.151 1.00 43.33 H new ATOM 0 HA HIS A 42 21.866 15.917 -20.691 1.00 24.15 H new ATOM 0 HB2 HIS A 42 19.733 14.215 -22.017 1.00 4.23 H new ATOM 0 HB3 HIS A 42 19.669 15.966 -22.029 1.00 4.23 H new ATOM 0 HD2 HIS A 42 20.368 16.494 -24.625 1.00 3.52 H new ATOM 0 HE1 HIS A 42 23.925 14.186 -24.751 1.00 34.53 H new ATOM 0 HE2 HIS A 42 22.465 15.835 -26.027 1.00 75.51 H new ATOM 649 N TRP A 43 19.299 14.540 -19.130 1.00 62.24 N ATOM 650 CA TRP A 43 18.327 14.750 -18.064 1.00 10.03 C ATOM 651 C TRP A 43 17.937 13.427 -17.414 1.00 73.13 C ATOM 652 O TRP A 43 17.557 12.477 -18.099 1.00 44.15 O ATOM 653 CB TRP A 43 17.082 15.450 -18.611 1.00 2.50 C ATOM 654 CG TRP A 43 16.371 14.659 -19.667 1.00 2.23 C ATOM 655 CD1 TRP A 43 16.533 14.765 -21.019 1.00 25.24 C ATOM 656 CD2 TRP A 43 15.385 13.643 -19.457 1.00 73.02 C ATOM 657 NE1 TRP A 43 15.707 13.875 -21.662 1.00 41.42 N ATOM 658 CE2 TRP A 43 14.993 13.175 -20.727 1.00 32.23 C ATOM 659 CE3 TRP A 43 14.796 13.081 -18.321 1.00 52.51 C ATOM 660 CZ2 TRP A 43 14.039 12.174 -20.889 1.00 32.34 C ATOM 661 CZ3 TRP A 43 13.849 12.088 -18.484 1.00 10.24 C ATOM 662 CH2 TRP A 43 13.478 11.642 -19.759 1.00 65.11 C ATOM 0 H TRP A 43 19.281 13.606 -19.539 1.00 62.24 H new ATOM 0 HA TRP A 43 18.788 15.384 -17.306 1.00 10.03 H new ATOM 0 HB2 TRP A 43 16.394 15.646 -17.789 1.00 2.50 H new ATOM 0 HB3 TRP A 43 17.370 16.417 -19.024 1.00 2.50 H new ATOM 0 HD1 TRP A 43 17.210 15.448 -21.510 1.00 25.24 H new ATOM 0 HE1 TRP A 43 15.637 13.755 -22.673 1.00 41.42 H new ATOM 0 HE3 TRP A 43 15.076 13.417 -17.333 1.00 52.51 H new ATOM 0 HZ2 TRP A 43 13.752 11.829 -21.871 1.00 32.34 H new ATOM 0 HZ3 TRP A 43 13.387 11.648 -17.613 1.00 10.24 H new ATOM 0 HH2 TRP A 43 12.735 10.864 -19.852 1.00 65.11 H new ATOM 673 N TRP A 44 18.032 13.372 -16.091 1.00 31.21 N ATOM 674 CA TRP A 44 17.688 12.164 -15.350 1.00 20.43 C ATOM 675 C TRP A 44 16.601 12.448 -14.319 1.00 3.22 C ATOM 676 O TRP A 44 16.801 13.238 -13.395 1.00 75.53 O ATOM 677 CB TRP A 44 18.928 11.595 -14.658 1.00 70.41 C ATOM 678 CG TRP A 44 19.620 10.533 -15.458 1.00 40.15 C ATOM 679 CD1 TRP A 44 19.641 10.415 -16.819 1.00 13.21 C ATOM 680 CD2 TRP A 44 20.390 9.439 -14.947 1.00 54.42 C ATOM 681 NE1 TRP A 44 20.377 9.314 -17.184 1.00 71.02 N ATOM 682 CE2 TRP A 44 20.848 8.699 -16.054 1.00 71.15 C ATOM 683 CE3 TRP A 44 20.738 9.015 -13.662 1.00 61.23 C ATOM 684 CZ2 TRP A 44 21.634 7.559 -15.913 1.00 62.31 C ATOM 685 CZ3 TRP A 44 21.518 7.883 -13.524 1.00 23.33 C ATOM 686 CH2 TRP A 44 21.960 7.166 -14.643 1.00 62.45 C ATOM 0 H TRP A 44 18.344 14.149 -15.509 1.00 31.21 H new ATOM 0 HA TRP A 44 17.307 11.429 -16.059 1.00 20.43 H new ATOM 0 HB2 TRP A 44 19.629 12.406 -14.460 1.00 70.41 H new ATOM 0 HB3 TRP A 44 18.639 11.181 -13.692 1.00 70.41 H new ATOM 0 HD1 TRP A 44 19.151 11.088 -17.507 1.00 13.21 H new ATOM 0 HE1 TRP A 44 20.546 9.005 -18.141 1.00 71.02 H new ATOM 0 HE3 TRP A 44 20.404 9.562 -12.793 1.00 61.23 H new ATOM 0 HZ2 TRP A 44 21.975 7.004 -16.775 1.00 62.31 H new ATOM 0 HZ3 TRP A 44 21.792 7.545 -12.535 1.00 23.33 H new ATOM 0 HH2 TRP A 44 22.570 6.286 -14.501 1.00 62.45 H new ATOM 697 N ARG A 45 15.452 11.801 -14.482 1.00 63.43 N ATOM 698 CA ARG A 45 14.334 11.986 -13.566 1.00 31.44 C ATOM 699 C ARG A 45 14.510 11.131 -12.314 1.00 32.02 C ATOM 700 O ARG A 45 14.566 9.904 -12.390 1.00 72.51 O ATOM 701 CB ARG A 45 13.016 11.631 -14.257 1.00 41.20 C ATOM 702 CG ARG A 45 12.116 12.831 -14.503 1.00 73.34 C ATOM 703 CD ARG A 45 10.646 12.443 -14.458 1.00 20.34 C ATOM 704 NE ARG A 45 9.776 13.609 -14.336 1.00 54.13 N ATOM 705 CZ ARG A 45 8.482 13.595 -14.637 1.00 52.13 C ATOM 706 NH1 ARG A 45 7.912 12.481 -15.075 1.00 34.14 N ATOM 707 NH2 ARG A 45 7.756 14.697 -14.501 1.00 14.25 N ATOM 0 H ARG A 45 15.271 11.144 -15.241 1.00 63.43 H new ATOM 0 HA ARG A 45 14.310 13.035 -13.269 1.00 31.44 H new ATOM 0 HB2 ARG A 45 13.233 11.149 -15.210 1.00 41.20 H new ATOM 0 HB3 ARG A 45 12.480 10.904 -13.647 1.00 41.20 H new ATOM 0 HG2 ARG A 45 12.315 13.596 -13.753 1.00 73.34 H new ATOM 0 HG3 ARG A 45 12.348 13.269 -15.474 1.00 73.34 H new ATOM 0 HD2 ARG A 45 10.389 11.892 -15.362 1.00 20.34 H new ATOM 0 HD3 ARG A 45 10.474 11.772 -13.616 1.00 20.34 H new ATOM 0 HE ARG A 45 10.184 14.482 -14.001 1.00 54.13 H new ATOM 0 HH11 ARG A 45 8.467 11.632 -15.182 1.00 34.14 H new ATOM 0 HH12 ARG A 45 6.918 12.473 -15.305 1.00 34.14 H new ATOM 0 HH21 ARG A 45 8.191 15.556 -14.165 1.00 14.25 H new ATOM 0 HH22 ARG A 45 6.763 14.685 -14.732 1.00 14.25 H new ATOM 721 N VAL A 46 14.597 11.789 -11.162 1.00 21.41 N ATOM 722 CA VAL A 46 14.766 11.090 -9.894 1.00 21.25 C ATOM 723 C VAL A 46 13.842 11.661 -8.824 1.00 2.21 C ATOM 724 O VAL A 46 13.198 12.689 -9.032 1.00 21.04 O ATOM 725 CB VAL A 46 16.222 11.173 -9.397 1.00 33.33 C ATOM 726 CG1 VAL A 46 17.179 10.655 -10.459 1.00 60.41 C ATOM 727 CG2 VAL A 46 16.570 12.601 -9.004 1.00 72.34 C ATOM 0 H VAL A 46 14.553 12.805 -11.081 1.00 21.41 H new ATOM 0 HA VAL A 46 14.509 10.046 -10.072 1.00 21.25 H new ATOM 0 HB VAL A 46 16.323 10.543 -8.513 1.00 33.33 H new ATOM 0 HG11 VAL A 46 18.203 10.721 -10.090 1.00 60.41 H new ATOM 0 HG12 VAL A 46 16.942 9.616 -10.687 1.00 60.41 H new ATOM 0 HG13 VAL A 46 17.079 11.256 -11.363 1.00 60.41 H new ATOM 0 HG21 VAL A 46 17.602 12.641 -8.655 1.00 72.34 H new ATOM 0 HG22 VAL A 46 16.453 13.255 -9.868 1.00 72.34 H new ATOM 0 HG23 VAL A 46 15.904 12.931 -8.206 1.00 72.34 H new ATOM 737 N GLN A 47 13.783 10.988 -7.679 1.00 65.04 N ATOM 738 CA GLN A 47 12.938 11.429 -6.577 1.00 13.33 C ATOM 739 C GLN A 47 13.748 11.573 -5.293 1.00 21.33 C ATOM 740 O GLN A 47 14.633 10.764 -5.012 1.00 32.11 O ATOM 741 CB GLN A 47 11.789 10.443 -6.361 1.00 74.21 C ATOM 742 CG GLN A 47 10.988 10.708 -5.096 1.00 45.00 C ATOM 743 CD GLN A 47 9.597 10.108 -5.149 1.00 41.41 C ATOM 744 OE1 GLN A 47 8.604 10.792 -4.897 1.00 62.41 O ATOM 745 NE2 GLN A 47 9.518 8.824 -5.478 1.00 53.44 N ATOM 0 H GLN A 47 14.311 10.135 -7.491 1.00 65.04 H new ATOM 0 HA GLN A 47 12.526 12.404 -6.836 1.00 13.33 H new ATOM 0 HB2 GLN A 47 11.119 10.485 -7.220 1.00 74.21 H new ATOM 0 HB3 GLN A 47 12.193 9.431 -6.320 1.00 74.21 H new ATOM 0 HG2 GLN A 47 11.523 10.299 -4.239 1.00 45.00 H new ATOM 0 HG3 GLN A 47 10.910 11.784 -4.939 1.00 45.00 H new ATOM 0 HE21 GLN A 47 10.367 8.296 -5.679 1.00 53.44 H new ATOM 0 HE22 GLN A 47 8.608 8.366 -5.530 1.00 53.44 H new ATOM 754 N ASP A 48 13.441 12.607 -4.517 1.00 75.53 N ATOM 755 CA ASP A 48 14.140 12.856 -3.262 1.00 71.32 C ATOM 756 C ASP A 48 13.636 11.924 -2.165 1.00 33.22 C ATOM 757 O ASP A 48 12.850 11.012 -2.424 1.00 14.44 O ATOM 758 CB ASP A 48 13.960 14.313 -2.834 1.00 34.12 C ATOM 759 CG ASP A 48 15.214 14.893 -2.211 1.00 63.20 C ATOM 760 OD1 ASP A 48 16.068 14.105 -1.753 1.00 74.40 O ATOM 761 OD2 ASP A 48 15.343 16.135 -2.181 1.00 34.10 O ATOM 0 H ASP A 48 12.712 13.286 -4.735 1.00 75.53 H new ATOM 0 HA ASP A 48 15.201 12.661 -3.420 1.00 71.32 H new ATOM 0 HB2 ASP A 48 13.679 14.911 -3.701 1.00 34.12 H new ATOM 0 HB3 ASP A 48 13.139 14.380 -2.120 1.00 34.12 H new ATOM 766 N ARG A 49 14.094 12.158 -0.940 1.00 2.14 N ATOM 767 CA ARG A 49 13.691 11.338 0.197 1.00 45.23 C ATOM 768 C ARG A 49 12.538 11.989 0.955 1.00 23.00 C ATOM 769 O ARG A 49 12.234 11.611 2.085 1.00 30.43 O ATOM 770 CB ARG A 49 14.876 11.118 1.139 1.00 0.13 C ATOM 771 CG ARG A 49 15.410 12.401 1.756 1.00 63.42 C ATOM 772 CD ARG A 49 16.875 12.266 2.140 1.00 24.33 C ATOM 773 NE ARG A 49 17.040 11.719 3.485 1.00 44.43 N ATOM 774 CZ ARG A 49 18.161 11.151 3.915 1.00 45.24 C ATOM 775 NH1 ARG A 49 19.211 11.056 3.110 1.00 31.30 N ATOM 776 NH2 ARG A 49 18.234 10.678 5.152 1.00 65.41 N ATOM 0 H ARG A 49 14.745 12.909 -0.709 1.00 2.14 H new ATOM 0 HA ARG A 49 13.354 10.374 -0.183 1.00 45.23 H new ATOM 0 HB2 ARG A 49 14.574 10.439 1.937 1.00 0.13 H new ATOM 0 HB3 ARG A 49 15.679 10.627 0.590 1.00 0.13 H new ATOM 0 HG2 ARG A 49 15.292 13.223 1.049 1.00 63.42 H new ATOM 0 HG3 ARG A 49 14.823 12.653 2.639 1.00 63.42 H new ATOM 0 HD2 ARG A 49 17.380 11.620 1.422 1.00 24.33 H new ATOM 0 HD3 ARG A 49 17.356 13.243 2.084 1.00 24.33 H new ATOM 0 HE ARG A 49 16.251 11.777 4.129 1.00 44.43 H new ATOM 0 HH11 ARG A 49 19.159 11.420 2.158 1.00 31.30 H new ATOM 0 HH12 ARG A 49 20.071 10.619 3.443 1.00 31.30 H new ATOM 0 HH21 ARG A 49 17.429 10.750 5.774 1.00 65.41 H new ATOM 0 HH22 ARG A 49 19.095 10.242 5.481 1.00 65.41 H new ATOM 790 N ASN A 50 11.901 12.970 0.324 1.00 10.14 N ATOM 791 CA ASN A 50 10.782 13.674 0.940 1.00 1.40 C ATOM 792 C ASN A 50 9.501 13.466 0.138 1.00 11.41 C ATOM 793 O ASN A 50 8.398 13.543 0.679 1.00 64.24 O ATOM 794 CB ASN A 50 11.091 15.169 1.050 1.00 63.21 C ATOM 795 CG ASN A 50 12.475 15.433 1.610 1.00 4.15 C ATOM 796 OD1 ASN A 50 12.638 15.663 2.809 1.00 64.50 O ATOM 797 ND2 ASN A 50 13.481 15.402 0.743 1.00 14.13 N ATOM 0 H ASN A 50 12.140 13.295 -0.613 1.00 10.14 H new ATOM 0 HA ASN A 50 10.634 13.266 1.940 1.00 1.40 H new ATOM 0 HB2 ASN A 50 11.007 15.628 0.065 1.00 63.21 H new ATOM 0 HB3 ASN A 50 10.347 15.645 1.688 1.00 63.21 H new ATOM 0 HD21 ASN A 50 14.435 15.573 1.062 1.00 14.13 H new ATOM 0 HD22 ASN A 50 13.300 15.207 -0.242 1.00 14.13 H new ATOM 804 N GLY A 51 9.655 13.202 -1.156 1.00 3.30 N ATOM 805 CA GLY A 51 8.503 12.987 -2.012 1.00 22.24 C ATOM 806 C GLY A 51 8.451 13.962 -3.171 1.00 1.45 C ATOM 807 O GLY A 51 7.374 14.282 -3.675 1.00 10.24 O ATOM 0 H GLY A 51 10.557 13.133 -1.627 1.00 3.30 H new ATOM 0 HA2 GLY A 51 8.527 11.968 -2.399 1.00 22.24 H new ATOM 0 HA3 GLY A 51 7.592 13.082 -1.421 1.00 22.24 H new ATOM 811 N HIS A 52 9.618 14.439 -3.594 1.00 74.31 N ATOM 812 CA HIS A 52 9.701 15.385 -4.701 1.00 14.33 C ATOM 813 C HIS A 52 10.511 14.802 -5.855 1.00 0.55 C ATOM 814 O HIS A 52 11.655 14.386 -5.673 1.00 54.11 O ATOM 815 CB HIS A 52 10.330 16.697 -4.231 1.00 42.14 C ATOM 816 CG HIS A 52 9.687 17.264 -3.003 1.00 45.22 C ATOM 817 ND1 HIS A 52 10.283 17.235 -1.760 1.00 64.00 N ATOM 818 CD2 HIS A 52 8.494 17.879 -2.832 1.00 50.52 C ATOM 819 CE1 HIS A 52 9.484 17.806 -0.877 1.00 54.12 C ATOM 820 NE2 HIS A 52 8.391 18.206 -1.502 1.00 41.24 N ATOM 0 H HIS A 52 10.518 14.186 -3.187 1.00 74.31 H new ATOM 0 HA HIS A 52 8.689 15.582 -5.055 1.00 14.33 H new ATOM 0 HB2 HIS A 52 11.389 16.532 -4.033 1.00 42.14 H new ATOM 0 HB3 HIS A 52 10.266 17.430 -5.036 1.00 42.14 H new ATOM 0 HD2 HIS A 52 7.759 18.076 -3.599 1.00 50.52 H new ATOM 0 HE1 HIS A 52 9.689 17.926 0.177 1.00 54.12 H new ATOM 0 HE2 HIS A 52 7.599 18.680 -1.068 1.00 41.24 H new ATOM 828 N GLU A 53 9.910 14.776 -7.040 1.00 13.01 N ATOM 829 CA GLU A 53 10.576 14.242 -8.222 1.00 42.50 C ATOM 830 C GLU A 53 10.905 15.357 -9.211 1.00 12.20 C ATOM 831 O GLU A 53 10.097 16.256 -9.441 1.00 71.11 O ATOM 832 CB GLU A 53 9.697 13.188 -8.898 1.00 41.54 C ATOM 833 CG GLU A 53 9.048 12.220 -7.923 1.00 43.44 C ATOM 834 CD GLU A 53 8.588 10.940 -8.592 1.00 74.13 C ATOM 835 OE1 GLU A 53 8.382 10.956 -9.824 1.00 73.31 O ATOM 836 OE2 GLU A 53 8.433 9.923 -7.885 1.00 32.32 O ATOM 0 H GLU A 53 8.964 15.118 -7.207 1.00 13.01 H new ATOM 0 HA GLU A 53 11.508 13.776 -7.903 1.00 42.50 H new ATOM 0 HB2 GLU A 53 8.918 13.690 -9.471 1.00 41.54 H new ATOM 0 HB3 GLU A 53 10.302 12.624 -9.608 1.00 41.54 H new ATOM 0 HG2 GLU A 53 9.757 11.977 -7.131 1.00 43.44 H new ATOM 0 HG3 GLU A 53 8.195 12.705 -7.449 1.00 43.44 H new ATOM 843 N GLY A 54 12.099 15.291 -9.793 1.00 54.30 N ATOM 844 CA GLY A 54 12.514 16.300 -10.750 1.00 2.44 C ATOM 845 C GLY A 54 13.625 15.814 -11.659 1.00 52.24 C ATOM 846 O GLY A 54 14.021 14.650 -11.599 1.00 43.13 O ATOM 0 H GLY A 54 12.786 14.557 -9.619 1.00 54.30 H new ATOM 0 HA2 GLY A 54 11.657 16.597 -11.355 1.00 2.44 H new ATOM 0 HA3 GLY A 54 12.849 17.188 -10.215 1.00 2.44 H new ATOM 850 N TYR A 55 14.127 16.706 -12.506 1.00 2.44 N ATOM 851 CA TYR A 55 15.196 16.361 -13.435 1.00 61.11 C ATOM 852 C TYR A 55 16.556 16.775 -12.880 1.00 54.14 C ATOM 853 O TYR A 55 16.685 17.814 -12.233 1.00 13.03 O ATOM 854 CB TYR A 55 14.959 17.032 -14.789 1.00 65.43 C ATOM 855 CG TYR A 55 13.703 16.562 -15.486 1.00 72.35 C ATOM 856 CD1 TYR A 55 12.453 17.030 -15.099 1.00 23.04 C ATOM 857 CD2 TYR A 55 13.764 15.649 -16.532 1.00 65.10 C ATOM 858 CE1 TYR A 55 11.302 16.603 -15.732 1.00 43.00 C ATOM 859 CE2 TYR A 55 12.619 15.218 -17.172 1.00 71.42 C ATOM 860 CZ TYR A 55 11.390 15.697 -16.769 1.00 3.35 C ATOM 861 OH TYR A 55 10.247 15.269 -17.403 1.00 34.13 O ATOM 0 H TYR A 55 13.810 17.674 -12.568 1.00 2.44 H new ATOM 0 HA TYR A 55 15.193 15.279 -13.567 1.00 61.11 H new ATOM 0 HB2 TYR A 55 14.903 18.111 -14.645 1.00 65.43 H new ATOM 0 HB3 TYR A 55 15.816 16.841 -15.435 1.00 65.43 H new ATOM 0 HD1 TYR A 55 12.380 17.740 -14.289 1.00 23.04 H new ATOM 0 HD2 TYR A 55 14.724 15.270 -16.850 1.00 65.10 H new ATOM 0 HE1 TYR A 55 10.339 16.976 -15.417 1.00 43.00 H new ATOM 0 HE2 TYR A 55 12.685 14.509 -17.984 1.00 71.42 H new ATOM 0 HH TYR A 55 10.484 14.634 -18.111 1.00 34.13 H new ATOM 871 N VAL A 56 17.568 15.954 -13.140 1.00 45.43 N ATOM 872 CA VAL A 56 18.920 16.235 -12.669 1.00 74.45 C ATOM 873 C VAL A 56 19.962 15.593 -13.578 1.00 43.11 C ATOM 874 O VAL A 56 19.698 14.609 -14.269 1.00 64.21 O ATOM 875 CB VAL A 56 19.129 15.729 -11.230 1.00 35.13 C ATOM 876 CG1 VAL A 56 18.465 16.666 -10.233 1.00 12.53 C ATOM 877 CG2 VAL A 56 18.594 14.313 -11.080 1.00 75.30 C ATOM 0 H VAL A 56 17.478 15.089 -13.674 1.00 45.43 H new ATOM 0 HA VAL A 56 19.043 17.318 -12.687 1.00 74.45 H new ATOM 0 HB VAL A 56 20.199 15.713 -11.021 1.00 35.13 H new ATOM 0 HG11 VAL A 56 18.623 16.292 -9.221 1.00 12.53 H new ATOM 0 HG12 VAL A 56 18.900 17.661 -10.324 1.00 12.53 H new ATOM 0 HG13 VAL A 56 17.396 16.717 -10.438 1.00 12.53 H new ATOM 0 HG21 VAL A 56 18.750 13.972 -10.057 1.00 75.30 H new ATOM 0 HG22 VAL A 56 17.528 14.301 -11.308 1.00 75.30 H new ATOM 0 HG23 VAL A 56 19.120 13.651 -11.768 1.00 75.30 H new ATOM 887 N PRO A 57 21.177 16.162 -13.579 1.00 31.03 N ATOM 888 CA PRO A 57 22.285 15.661 -14.397 1.00 41.33 C ATOM 889 C PRO A 57 22.808 14.316 -13.905 1.00 73.02 C ATOM 890 O PRO A 57 23.083 14.143 -12.718 1.00 21.00 O ATOM 891 CB PRO A 57 23.358 16.742 -14.240 1.00 62.44 C ATOM 892 CG PRO A 57 23.057 17.387 -12.932 1.00 43.30 C ATOM 893 CD PRO A 57 21.562 17.337 -12.780 1.00 2.42 C ATOM 0 HA PRO A 57 21.983 15.487 -15.430 1.00 41.33 H new ATOM 0 HB2 PRO A 57 24.359 16.310 -14.248 1.00 62.44 H new ATOM 0 HB3 PRO A 57 23.316 17.463 -15.056 1.00 62.44 H new ATOM 0 HG2 PRO A 57 23.550 16.861 -12.115 1.00 43.30 H new ATOM 0 HG3 PRO A 57 23.417 18.416 -12.912 1.00 43.30 H new ATOM 0 HD2 PRO A 57 21.268 17.227 -11.736 1.00 2.42 H new ATOM 0 HD3 PRO A 57 21.090 18.247 -13.150 1.00 2.42 H new ATOM 901 N SER A 58 22.942 13.366 -14.825 1.00 44.22 N ATOM 902 CA SER A 58 23.429 12.035 -14.484 1.00 21.33 C ATOM 903 C SER A 58 24.924 12.064 -14.181 1.00 21.10 C ATOM 904 O SER A 58 25.424 11.266 -13.387 1.00 54.53 O ATOM 905 CB SER A 58 23.148 11.057 -15.626 1.00 54.14 C ATOM 906 OG SER A 58 23.420 9.723 -15.235 1.00 23.21 O ATOM 0 H SER A 58 22.720 13.494 -15.812 1.00 44.22 H new ATOM 0 HA SER A 58 22.901 11.701 -13.591 1.00 21.33 H new ATOM 0 HB2 SER A 58 22.106 11.143 -15.934 1.00 54.14 H new ATOM 0 HB3 SER A 58 23.759 11.317 -16.490 1.00 54.14 H new ATOM 0 HG SER A 58 22.578 9.262 -15.036 1.00 23.21 H new ATOM 912 N SER A 59 25.633 12.989 -14.820 1.00 12.33 N ATOM 913 CA SER A 59 27.072 13.121 -14.623 1.00 14.33 C ATOM 914 C SER A 59 27.400 13.339 -13.149 1.00 24.02 C ATOM 915 O SER A 59 28.514 13.061 -12.702 1.00 14.11 O ATOM 916 CB SER A 59 27.617 14.283 -15.456 1.00 24.25 C ATOM 917 OG SER A 59 28.648 13.847 -16.325 1.00 75.34 O ATOM 0 H SER A 59 25.234 13.658 -15.479 1.00 12.33 H new ATOM 0 HA SER A 59 27.546 12.195 -14.950 1.00 14.33 H new ATOM 0 HB2 SER A 59 26.810 14.727 -16.038 1.00 24.25 H new ATOM 0 HB3 SER A 59 27.999 15.061 -14.795 1.00 24.25 H new ATOM 0 HG SER A 59 28.979 14.607 -16.848 1.00 75.34 H new ATOM 923 N TYR A 60 26.424 13.838 -12.399 1.00 21.20 N ATOM 924 CA TYR A 60 26.609 14.096 -10.976 1.00 31.31 C ATOM 925 C TYR A 60 25.850 13.074 -10.134 1.00 51.50 C ATOM 926 O TYR A 60 25.525 13.327 -8.973 1.00 43.40 O ATOM 927 CB TYR A 60 26.141 15.510 -10.627 1.00 73.53 C ATOM 928 CG TYR A 60 26.892 16.595 -11.364 1.00 4.11 C ATOM 929 CD1 TYR A 60 26.735 16.770 -12.733 1.00 41.21 C ATOM 930 CD2 TYR A 60 27.759 17.447 -10.690 1.00 24.41 C ATOM 931 CE1 TYR A 60 27.421 17.760 -13.410 1.00 54.30 C ATOM 932 CE2 TYR A 60 28.448 18.440 -11.358 1.00 52.44 C ATOM 933 CZ TYR A 60 28.275 18.593 -12.718 1.00 65.14 C ATOM 934 OH TYR A 60 28.959 19.581 -13.389 1.00 0.31 O ATOM 0 H TYR A 60 25.496 14.072 -12.753 1.00 21.20 H new ATOM 0 HA TYR A 60 27.672 14.007 -10.752 1.00 31.31 H new ATOM 0 HB2 TYR A 60 25.078 15.598 -10.852 1.00 73.53 H new ATOM 0 HB3 TYR A 60 26.253 15.666 -9.554 1.00 73.53 H new ATOM 0 HD1 TYR A 60 26.065 16.121 -13.278 1.00 41.21 H new ATOM 0 HD2 TYR A 60 27.896 17.330 -9.625 1.00 24.41 H new ATOM 0 HE1 TYR A 60 27.289 17.881 -14.475 1.00 54.30 H new ATOM 0 HE2 TYR A 60 29.118 19.093 -10.819 1.00 52.44 H new ATOM 0 HH TYR A 60 29.517 20.080 -12.757 1.00 0.31 H new ATOM 944 N LEU A 61 25.571 11.919 -10.727 1.00 54.24 N ATOM 945 CA LEU A 61 24.850 10.857 -10.033 1.00 43.25 C ATOM 946 C LEU A 61 25.462 9.494 -10.340 1.00 70.00 C ATOM 947 O LEU A 61 25.743 9.174 -11.495 1.00 24.41 O ATOM 948 CB LEU A 61 23.374 10.869 -10.435 1.00 23.41 C ATOM 949 CG LEU A 61 22.502 11.925 -9.756 1.00 1.12 C ATOM 950 CD1 LEU A 61 21.223 12.150 -10.547 1.00 33.12 C ATOM 951 CD2 LEU A 61 22.182 11.514 -8.326 1.00 60.21 C ATOM 0 H LEU A 61 25.833 11.693 -11.687 1.00 54.24 H new ATOM 0 HA LEU A 61 24.929 11.037 -8.961 1.00 43.25 H new ATOM 0 HB2 LEU A 61 23.313 11.015 -11.513 1.00 23.41 H new ATOM 0 HB3 LEU A 61 22.952 9.887 -10.222 1.00 23.41 H new ATOM 0 HG LEU A 61 23.057 12.863 -9.727 1.00 1.12 H new ATOM 0 HD11 LEU A 61 20.615 12.905 -10.048 1.00 33.12 H new ATOM 0 HD12 LEU A 61 21.472 12.490 -11.552 1.00 33.12 H new ATOM 0 HD13 LEU A 61 20.664 11.216 -10.608 1.00 33.12 H new ATOM 0 HD21 LEU A 61 21.561 12.278 -7.858 1.00 60.21 H new ATOM 0 HD22 LEU A 61 21.647 10.564 -8.331 1.00 60.21 H new ATOM 0 HD23 LEU A 61 23.109 11.405 -7.763 1.00 60.21 H new ATOM 963 N VAL A 62 25.663 8.694 -9.298 1.00 24.40 N ATOM 964 CA VAL A 62 26.238 7.363 -9.456 1.00 5.11 C ATOM 965 C VAL A 62 25.217 6.280 -9.127 1.00 52.33 C ATOM 966 O VAL A 62 24.478 6.387 -8.149 1.00 2.20 O ATOM 967 CB VAL A 62 27.475 7.176 -8.557 1.00 45.14 C ATOM 968 CG1 VAL A 62 27.064 7.072 -7.097 1.00 31.12 C ATOM 969 CG2 VAL A 62 28.264 5.948 -8.986 1.00 43.25 C ATOM 0 H VAL A 62 25.436 8.944 -8.335 1.00 24.40 H new ATOM 0 HA VAL A 62 26.538 7.270 -10.500 1.00 5.11 H new ATOM 0 HB VAL A 62 28.118 8.050 -8.667 1.00 45.14 H new ATOM 0 HG11 VAL A 62 27.951 6.940 -6.478 1.00 31.12 H new ATOM 0 HG12 VAL A 62 26.546 7.983 -6.799 1.00 31.12 H new ATOM 0 HG13 VAL A 62 26.400 6.218 -6.966 1.00 31.12 H new ATOM 0 HG21 VAL A 62 29.134 5.831 -8.340 1.00 43.25 H new ATOM 0 HG22 VAL A 62 27.632 5.064 -8.907 1.00 43.25 H new ATOM 0 HG23 VAL A 62 28.592 6.069 -10.019 1.00 43.25 H new ATOM 979 N GLU A 63 25.181 5.238 -9.952 1.00 24.04 N ATOM 980 CA GLU A 63 24.249 4.135 -9.748 1.00 3.21 C ATOM 981 C GLU A 63 24.520 3.432 -8.421 1.00 13.44 C ATOM 982 O GLU A 63 25.577 2.831 -8.227 1.00 14.42 O ATOM 983 CB GLU A 63 24.352 3.132 -10.899 1.00 0.22 C ATOM 984 CG GLU A 63 23.016 2.811 -11.548 1.00 1.44 C ATOM 985 CD GLU A 63 23.002 1.448 -12.211 1.00 30.34 C ATOM 986 OE1 GLU A 63 23.930 1.158 -12.994 1.00 5.43 O ATOM 987 OE2 GLU A 63 22.062 0.670 -11.945 1.00 73.54 O ATOM 0 H GLU A 63 25.786 5.135 -10.767 1.00 24.04 H new ATOM 0 HA GLU A 63 23.240 4.546 -9.722 1.00 3.21 H new ATOM 0 HB2 GLU A 63 25.028 3.529 -11.656 1.00 0.22 H new ATOM 0 HB3 GLU A 63 24.797 2.209 -10.527 1.00 0.22 H new ATOM 0 HG2 GLU A 63 22.231 2.852 -10.793 1.00 1.44 H new ATOM 0 HG3 GLU A 63 22.784 3.574 -12.291 1.00 1.44 H new ATOM 994 N LYS A 64 23.557 3.513 -7.509 1.00 32.15 N ATOM 995 CA LYS A 64 23.688 2.885 -6.199 1.00 42.11 C ATOM 996 C LYS A 64 23.525 1.372 -6.302 1.00 42.13 C ATOM 997 O LYS A 64 22.407 0.862 -6.367 1.00 32.33 O ATOM 998 CB LYS A 64 22.650 3.456 -5.231 1.00 32.24 C ATOM 999 CG LYS A 64 22.907 3.091 -3.779 1.00 31.22 C ATOM 1000 CD LYS A 64 22.198 1.803 -3.394 1.00 13.35 C ATOM 1001 CE LYS A 64 22.323 1.522 -1.904 1.00 0.20 C ATOM 1002 NZ LYS A 64 21.209 2.134 -1.128 1.00 53.14 N ATOM 0 H LYS A 64 22.677 4.008 -7.653 1.00 32.15 H new ATOM 0 HA LYS A 64 24.687 3.100 -5.819 1.00 42.11 H new ATOM 0 HB2 LYS A 64 22.635 4.542 -5.327 1.00 32.24 H new ATOM 0 HB3 LYS A 64 21.662 3.097 -5.518 1.00 32.24 H new ATOM 0 HG2 LYS A 64 23.979 2.980 -3.615 1.00 31.22 H new ATOM 0 HG3 LYS A 64 22.568 3.901 -3.134 1.00 31.22 H new ATOM 0 HD2 LYS A 64 21.145 1.871 -3.665 1.00 13.35 H new ATOM 0 HD3 LYS A 64 22.620 0.971 -3.959 1.00 13.35 H new ATOM 0 HE2 LYS A 64 22.333 0.445 -1.737 1.00 0.20 H new ATOM 0 HE3 LYS A 64 23.275 1.909 -1.540 1.00 0.20 H new ATOM 0 HZ1 LYS A 64 21.128 1.661 -0.205 1.00 53.14 H new ATOM 0 HZ2 LYS A 64 21.402 3.146 -0.983 1.00 53.14 H new ATOM 0 HZ3 LYS A 64 20.318 2.024 -1.653 1.00 53.14 H new