USER MOD reduce.3.24.130724 H: found=0, std=0, add=553, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 552 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 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 1:sc= -0.401! USER MOD Single : A 19 ASN : amide:sc= -2.46! C(o=-2.5!,f=-3.3!) USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ -178:sc= 0.373 (180deg=0.37) USER MOD Single : A 25 LYS NZ :NH3+ 147:sc= -0.512 (180deg=-2.09!) USER MOD Single : A 28 ASN : amide:sc= -0.0978 X(o=-0.098,f=-0.16) USER MOD Single : A 30 HIS : no HD1:sc= -0.561 K(o=-0.56,f=-2.8!) USER MOD Single : A 34 CYS SG : rot 80:sc= -5.41! USER MOD Single : A 35 HIS : no HE2:sc= -1.66 K(o=-1.7,f=-6.2!) USER MOD Single : A 37 SER OG : rot -120:sc= -0.844 USER MOD Single : A 39 LYS NZ :NH3+ 159:sc= -0.0127 (180deg=-0.144) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0.016) USER MOD Single : A 52 LYS NZ :NH3+ -159:sc= -0.0243 (180deg=-0.486) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.0185 USER MOD Single : A 68 THR OG1 : rot 59:sc= -1.07! USER MOD Single : A 71 LYS NZ :NH3+ 148:sc= -0.17 (180deg=-0.86) USER MOD ----------------------------------------------------------------- ATOM 83 N VAL A 6 6.479 1.485 26.173 1.00 0.00 N ATOM 84 CA VAL A 6 6.609 2.209 27.458 1.00 0.00 C ATOM 85 C VAL A 6 5.253 2.327 28.131 1.00 0.00 C ATOM 86 O VAL A 6 4.239 2.049 27.522 1.00 0.00 O ATOM 87 CB VAL A 6 7.134 3.624 27.163 1.00 0.00 C ATOM 88 CG1 VAL A 6 5.974 4.494 26.673 1.00 0.00 C ATOM 89 CG2 VAL A 6 7.705 4.233 28.443 1.00 0.00 C ATOM 0 HA VAL A 6 7.290 1.667 28.114 1.00 0.00 H new ATOM 0 HB VAL A 6 7.913 3.574 26.402 1.00 0.00 H new ATOM 0 HG11 VAL A 6 6.338 5.500 26.461 1.00 0.00 H new ATOM 0 HG12 VAL A 6 5.553 4.062 25.765 1.00 0.00 H new ATOM 0 HG13 VAL A 6 5.204 4.541 27.443 1.00 0.00 H new ATOM 0 HG21 VAL A 6 8.077 5.236 28.234 1.00 0.00 H new ATOM 0 HG22 VAL A 6 6.923 4.287 29.201 1.00 0.00 H new ATOM 0 HG23 VAL A 6 8.522 3.611 28.808 1.00 0.00 H new ATOM 99 N ILE A 7 5.257 2.738 29.380 1.00 0.00 N ATOM 100 CA ILE A 7 3.969 2.882 30.108 1.00 0.00 C ATOM 101 C ILE A 7 3.716 4.347 30.424 1.00 0.00 C ATOM 102 O ILE A 7 4.267 4.887 31.363 1.00 0.00 O ATOM 103 CB ILE A 7 4.061 2.094 31.415 1.00 0.00 C ATOM 104 CG1 ILE A 7 4.582 0.691 31.131 1.00 0.00 C ATOM 105 CG2 ILE A 7 2.652 1.979 32.020 1.00 0.00 C ATOM 106 CD1 ILE A 7 4.193 -0.235 32.285 1.00 0.00 C ATOM 0 H ILE A 7 6.092 2.976 29.916 1.00 0.00 H new ATOM 0 HA ILE A 7 3.152 2.504 29.493 1.00 0.00 H new ATOM 0 HB ILE A 7 4.735 2.604 32.103 1.00 0.00 H new ATOM 0 HG12 ILE A 7 4.166 0.319 30.195 1.00 0.00 H new ATOM 0 HG13 ILE A 7 5.666 0.710 31.014 1.00 0.00 H new ATOM 0 HG21 ILE A 7 2.702 1.419 32.954 1.00 0.00 H new ATOM 0 HG22 ILE A 7 2.258 2.976 32.216 1.00 0.00 H new ATOM 0 HG23 ILE A 7 1.997 1.460 31.320 1.00 0.00 H new ATOM 0 HD11 ILE A 7 4.564 -1.240 32.086 1.00 0.00 H new ATOM 0 HD12 ILE A 7 4.630 0.136 33.212 1.00 0.00 H new ATOM 0 HD13 ILE A 7 3.108 -0.261 32.380 1.00 0.00 H new ATOM 118 N GLU A 8 2.879 4.961 29.631 1.00 0.00 N ATOM 119 CA GLU A 8 2.569 6.390 29.859 1.00 0.00 C ATOM 120 C GLU A 8 1.282 6.541 30.642 1.00 0.00 C ATOM 121 O GLU A 8 0.251 6.028 30.253 1.00 0.00 O ATOM 122 CB GLU A 8 2.400 7.073 28.493 1.00 0.00 C ATOM 123 CG GLU A 8 2.122 6.008 27.430 1.00 0.00 C ATOM 124 CD GLU A 8 1.839 6.693 26.092 1.00 0.00 C ATOM 125 OE1 GLU A 8 1.402 7.832 26.149 1.00 0.00 O ATOM 126 OE2 GLU A 8 2.075 6.040 25.090 1.00 0.00 O ATOM 0 H GLU A 8 2.401 4.531 28.839 1.00 0.00 H new ATOM 0 HA GLU A 8 3.380 6.845 30.427 1.00 0.00 H new ATOM 0 HB2 GLU A 8 1.580 7.790 28.530 1.00 0.00 H new ATOM 0 HB3 GLU A 8 3.300 7.632 28.238 1.00 0.00 H new ATOM 0 HG2 GLU A 8 2.978 5.339 27.336 1.00 0.00 H new ATOM 0 HG3 GLU A 8 1.270 5.396 27.726 1.00 0.00 H new ATOM 133 N LEU A 9 1.364 7.244 31.736 1.00 0.00 N ATOM 134 CA LEU A 9 0.155 7.445 32.565 1.00 0.00 C ATOM 135 C LEU A 9 0.133 8.848 33.144 1.00 0.00 C ATOM 136 O LEU A 9 1.165 9.451 33.356 1.00 0.00 O ATOM 137 CB LEU A 9 0.190 6.435 33.721 1.00 0.00 C ATOM 138 CG LEU A 9 -0.091 5.036 33.174 1.00 0.00 C ATOM 139 CD1 LEU A 9 0.148 4.006 34.279 1.00 0.00 C ATOM 140 CD2 LEU A 9 -1.551 4.957 32.718 1.00 0.00 C ATOM 0 H LEU A 9 2.214 7.685 32.087 1.00 0.00 H new ATOM 0 HA LEU A 9 -0.732 7.305 31.948 1.00 0.00 H new ATOM 0 HB2 LEU A 9 1.163 6.458 34.211 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -0.552 6.700 34.474 1.00 0.00 H new ATOM 0 HG LEU A 9 0.569 4.831 32.331 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -0.051 3.006 33.894 1.00 0.00 H new ATOM 0 HD12 LEU A 9 1.183 4.066 34.615 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -0.518 4.211 35.118 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -1.757 3.961 32.327 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -2.208 5.157 33.564 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -1.729 5.697 31.938 1.00 0.00 H new ATOM 152 N GLU A 10 -1.043 9.346 33.388 1.00 0.00 N ATOM 153 CA GLU A 10 -1.145 10.705 33.952 1.00 0.00 C ATOM 154 C GLU A 10 -1.047 10.647 35.462 1.00 0.00 C ATOM 155 O GLU A 10 -1.614 9.769 36.083 1.00 0.00 O ATOM 156 CB GLU A 10 -2.505 11.297 33.558 1.00 0.00 C ATOM 157 CG GLU A 10 -2.738 11.064 32.064 1.00 0.00 C ATOM 158 CD GLU A 10 -3.312 9.662 31.853 1.00 0.00 C ATOM 159 OE1 GLU A 10 -3.389 8.953 32.843 1.00 0.00 O ATOM 160 OE2 GLU A 10 -3.641 9.378 30.713 1.00 0.00 O ATOM 0 H GLU A 10 -1.930 8.870 33.221 1.00 0.00 H new ATOM 0 HA GLU A 10 -0.334 11.323 33.566 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -3.301 10.832 34.140 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -2.530 12.364 33.781 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -3.425 11.813 31.670 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -1.801 11.172 31.517 1.00 0.00 H new ATOM 167 N GLY A 11 -0.331 11.580 36.033 1.00 0.00 N ATOM 168 CA GLY A 11 -0.193 11.582 37.511 1.00 0.00 C ATOM 169 C GLY A 11 -0.235 13.006 38.022 1.00 0.00 C ATOM 170 O GLY A 11 -0.423 13.931 37.255 1.00 0.00 O ATOM 0 H GLY A 11 0.157 12.330 35.543 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -0.996 10.999 37.962 1.00 0.00 H new ATOM 0 HA3 GLY A 11 0.746 11.109 37.800 1.00 0.00 H new ATOM 174 N THR A 12 -0.064 13.155 39.306 1.00 0.00 N ATOM 175 CA THR A 12 -0.089 14.512 39.893 1.00 0.00 C ATOM 176 C THR A 12 1.133 14.738 40.752 1.00 0.00 C ATOM 177 O THR A 12 1.402 13.988 41.669 1.00 0.00 O ATOM 178 CB THR A 12 -1.343 14.645 40.761 1.00 0.00 C ATOM 179 OG1 THR A 12 -2.227 13.644 40.296 1.00 0.00 O ATOM 180 CG2 THR A 12 -2.069 15.966 40.473 1.00 0.00 C ATOM 0 H THR A 12 0.091 12.395 39.968 1.00 0.00 H new ATOM 0 HA THR A 12 -0.096 15.251 39.092 1.00 0.00 H new ATOM 0 HB THR A 12 -1.072 14.581 41.815 1.00 0.00 H new ATOM 0 HG1 THR A 12 -3.057 13.674 40.816 1.00 0.00 H new ATOM 0 HG21 THR A 12 -2.957 16.038 41.102 1.00 0.00 H new ATOM 0 HG22 THR A 12 -1.403 16.802 40.689 1.00 0.00 H new ATOM 0 HG23 THR A 12 -2.364 15.998 39.424 1.00 0.00 H new ATOM 188 N VAL A 13 1.856 15.774 40.444 1.00 0.00 N ATOM 189 CA VAL A 13 3.072 16.062 41.239 1.00 0.00 C ATOM 190 C VAL A 13 2.717 16.287 42.691 1.00 0.00 C ATOM 191 O VAL A 13 1.796 17.021 42.997 1.00 0.00 O ATOM 192 CB VAL A 13 3.741 17.331 40.697 1.00 0.00 C ATOM 193 CG1 VAL A 13 5.137 17.458 41.311 1.00 0.00 C ATOM 194 CG2 VAL A 13 3.872 17.231 39.181 1.00 0.00 C ATOM 0 H VAL A 13 1.659 16.426 39.685 1.00 0.00 H new ATOM 0 HA VAL A 13 3.747 15.210 41.162 1.00 0.00 H new ATOM 0 HB VAL A 13 3.137 18.201 40.954 1.00 0.00 H new ATOM 0 HG11 VAL A 13 5.621 18.358 40.931 1.00 0.00 H new ATOM 0 HG12 VAL A 13 5.053 17.521 42.396 1.00 0.00 H new ATOM 0 HG13 VAL A 13 5.733 16.585 41.044 1.00 0.00 H new ATOM 0 HG21 VAL A 13 4.348 18.133 38.797 1.00 0.00 H new ATOM 0 HG22 VAL A 13 4.480 16.363 38.925 1.00 0.00 H new ATOM 0 HG23 VAL A 13 2.882 17.125 38.736 1.00 0.00 H new ATOM 204 N SER A 14 3.459 15.650 43.564 1.00 0.00 N ATOM 205 CA SER A 14 3.186 15.806 45.018 1.00 0.00 C ATOM 206 C SER A 14 4.290 16.592 45.723 1.00 0.00 C ATOM 207 O SER A 14 4.034 17.263 46.704 1.00 0.00 O ATOM 208 CB SER A 14 3.108 14.404 45.639 1.00 0.00 C ATOM 209 OG SER A 14 4.287 13.755 45.186 1.00 0.00 O ATOM 0 H SER A 14 4.237 15.033 43.330 1.00 0.00 H new ATOM 0 HA SER A 14 2.253 16.355 45.140 1.00 0.00 H new ATOM 0 HB2 SER A 14 3.073 14.452 46.727 1.00 0.00 H new ATOM 0 HB3 SER A 14 2.212 13.874 45.315 1.00 0.00 H new ATOM 0 HG SER A 14 4.810 14.374 44.634 1.00 0.00 H new ATOM 215 N GLU A 15 5.496 16.500 45.224 1.00 0.00 N ATOM 216 CA GLU A 15 6.602 17.249 45.880 1.00 0.00 C ATOM 217 C GLU A 15 7.670 17.671 44.878 1.00 0.00 C ATOM 218 O GLU A 15 7.800 17.084 43.822 1.00 0.00 O ATOM 219 CB GLU A 15 7.247 16.327 46.926 1.00 0.00 C ATOM 220 CG GLU A 15 7.667 17.159 48.139 1.00 0.00 C ATOM 221 CD GLU A 15 8.062 16.221 49.281 1.00 0.00 C ATOM 222 OE1 GLU A 15 7.634 15.080 49.216 1.00 0.00 O ATOM 223 OE2 GLU A 15 8.769 16.698 50.153 1.00 0.00 O ATOM 0 H GLU A 15 5.757 15.949 44.406 1.00 0.00 H new ATOM 0 HA GLU A 15 6.191 18.150 46.335 1.00 0.00 H new ATOM 0 HB2 GLU A 15 6.543 15.551 47.228 1.00 0.00 H new ATOM 0 HB3 GLU A 15 8.113 15.822 46.499 1.00 0.00 H new ATOM 0 HG2 GLU A 15 8.504 17.807 47.878 1.00 0.00 H new ATOM 0 HG3 GLU A 15 6.848 17.807 48.452 1.00 0.00 H new ATOM 230 N ALA A 16 8.418 18.693 45.240 1.00 0.00 N ATOM 231 CA ALA A 16 9.495 19.191 44.339 1.00 0.00 C ATOM 232 C ALA A 16 10.866 18.956 44.958 1.00 0.00 C ATOM 233 O ALA A 16 11.118 19.367 46.075 1.00 0.00 O ATOM 234 CB ALA A 16 9.295 20.702 44.140 1.00 0.00 C ATOM 0 H ALA A 16 8.323 19.198 46.121 1.00 0.00 H new ATOM 0 HA ALA A 16 9.444 18.659 43.389 1.00 0.00 H new ATOM 0 HB1 ALA A 16 10.074 21.089 43.483 1.00 0.00 H new ATOM 0 HB2 ALA A 16 8.318 20.884 43.692 1.00 0.00 H new ATOM 0 HB3 ALA A 16 9.351 21.207 45.105 1.00 0.00 H new ATOM 240 N LEU A 17 11.731 18.299 44.212 1.00 0.00 N ATOM 241 CA LEU A 17 13.102 18.018 44.732 1.00 0.00 C ATOM 242 C LEU A 17 14.174 18.661 43.831 1.00 0.00 C ATOM 243 O LEU A 17 13.973 18.826 42.647 1.00 0.00 O ATOM 244 CB LEU A 17 13.307 16.497 44.728 1.00 0.00 C ATOM 245 CG LEU A 17 12.039 15.830 45.249 1.00 0.00 C ATOM 246 CD1 LEU A 17 12.162 14.319 45.084 1.00 0.00 C ATOM 247 CD2 LEU A 17 11.865 16.163 46.726 1.00 0.00 C ATOM 0 H LEU A 17 11.543 17.950 43.272 1.00 0.00 H new ATOM 0 HA LEU A 17 13.198 18.432 45.736 1.00 0.00 H new ATOM 0 HB2 LEU A 17 13.530 16.149 43.719 1.00 0.00 H new ATOM 0 HB3 LEU A 17 14.159 16.229 45.353 1.00 0.00 H new ATOM 0 HG LEU A 17 11.177 16.192 44.688 1.00 0.00 H new ATOM 0 HD11 LEU A 17 11.257 13.838 45.455 1.00 0.00 H new ATOM 0 HD12 LEU A 17 12.295 14.078 44.029 1.00 0.00 H new ATOM 0 HD13 LEU A 17 13.022 13.960 45.649 1.00 0.00 H new ATOM 0 HD21 LEU A 17 10.959 15.688 47.102 1.00 0.00 H new ATOM 0 HD22 LEU A 17 12.726 15.797 47.285 1.00 0.00 H new ATOM 0 HD23 LEU A 17 11.785 17.243 46.849 1.00 0.00 H new ATOM 259 N PRO A 18 15.299 19.024 44.423 1.00 0.00 N ATOM 260 CA PRO A 18 16.389 19.642 43.669 1.00 0.00 C ATOM 261 C PRO A 18 16.895 18.717 42.571 1.00 0.00 C ATOM 262 O PRO A 18 16.509 17.569 42.495 1.00 0.00 O ATOM 263 CB PRO A 18 17.509 19.870 44.707 1.00 0.00 C ATOM 264 CG PRO A 18 17.004 19.303 46.069 1.00 0.00 C ATOM 265 CD PRO A 18 15.550 18.850 45.861 1.00 0.00 C ATOM 0 HA PRO A 18 16.063 20.562 43.183 1.00 0.00 H new ATOM 0 HB2 PRO A 18 18.426 19.368 44.399 1.00 0.00 H new ATOM 0 HB3 PRO A 18 17.741 20.931 44.795 1.00 0.00 H new ATOM 0 HG2 PRO A 18 17.625 18.467 46.392 1.00 0.00 H new ATOM 0 HG3 PRO A 18 17.063 20.063 46.848 1.00 0.00 H new ATOM 0 HD2 PRO A 18 15.413 17.812 46.163 1.00 0.00 H new ATOM 0 HD3 PRO A 18 14.861 19.448 46.457 1.00 0.00 H new ATOM 273 N ASN A 19 17.749 19.243 41.740 1.00 0.00 N ATOM 274 CA ASN A 19 18.306 18.426 40.632 1.00 0.00 C ATOM 275 C ASN A 19 17.244 18.099 39.583 1.00 0.00 C ATOM 276 O ASN A 19 17.293 17.062 38.952 1.00 0.00 O ATOM 277 CB ASN A 19 18.853 17.112 41.216 1.00 0.00 C ATOM 278 CG ASN A 19 19.354 17.362 42.640 1.00 0.00 C ATOM 279 OD1 ASN A 19 18.723 16.986 43.609 1.00 0.00 O ATOM 280 ND2 ASN A 19 20.485 17.991 42.812 1.00 0.00 N ATOM 0 H ASN A 19 18.085 20.205 41.782 1.00 0.00 H new ATOM 0 HA ASN A 19 19.096 18.999 40.146 1.00 0.00 H new ATOM 0 HB2 ASN A 19 18.073 16.350 41.221 1.00 0.00 H new ATOM 0 HB3 ASN A 19 19.664 16.734 40.594 1.00 0.00 H new ATOM 0 HD21 ASN A 19 20.834 18.164 43.755 1.00 0.00 H new ATOM 0 HD22 ASN A 19 21.020 18.309 42.004 1.00 0.00 H new ATOM 287 N ALA A 20 16.303 18.988 39.415 1.00 0.00 N ATOM 288 CA ALA A 20 15.234 18.739 38.409 1.00 0.00 C ATOM 289 C ALA A 20 14.527 17.408 38.658 1.00 0.00 C ATOM 290 O ALA A 20 14.394 16.599 37.758 1.00 0.00 O ATOM 291 CB ALA A 20 15.894 18.694 37.024 1.00 0.00 C ATOM 0 H ALA A 20 16.229 19.868 39.926 1.00 0.00 H new ATOM 0 HA ALA A 20 14.491 19.534 38.478 1.00 0.00 H new ATOM 0 HB1 ALA A 20 15.134 18.512 36.264 1.00 0.00 H new ATOM 0 HB2 ALA A 20 16.386 19.646 36.824 1.00 0.00 H new ATOM 0 HB3 ALA A 20 16.631 17.892 36.998 1.00 0.00 H new ATOM 297 N MET A 21 14.065 17.218 39.868 1.00 0.00 N ATOM 298 CA MET A 21 13.368 15.964 40.206 1.00 0.00 C ATOM 299 C MET A 21 12.194 16.257 41.122 1.00 0.00 C ATOM 300 O MET A 21 12.272 17.115 41.973 1.00 0.00 O ATOM 301 CB MET A 21 14.349 15.048 40.969 1.00 0.00 C ATOM 302 CG MET A 21 15.429 14.532 40.016 1.00 0.00 C ATOM 303 SD MET A 21 15.134 12.941 39.211 1.00 0.00 S ATOM 304 CE MET A 21 16.488 12.039 40.003 1.00 0.00 C ATOM 0 H MET A 21 14.147 17.888 40.633 1.00 0.00 H new ATOM 0 HA MET A 21 13.015 15.489 39.291 1.00 0.00 H new ATOM 0 HB2 MET A 21 14.809 15.597 41.790 1.00 0.00 H new ATOM 0 HB3 MET A 21 13.809 14.209 41.409 1.00 0.00 H new ATOM 0 HG2 MET A 21 15.578 15.281 39.238 1.00 0.00 H new ATOM 0 HG3 MET A 21 16.363 14.460 40.573 1.00 0.00 H new ATOM 0 HE1 MET A 21 16.497 11.009 39.646 1.00 0.00 H new ATOM 0 HE2 MET A 21 17.436 12.517 39.757 1.00 0.00 H new ATOM 0 HE3 MET A 21 16.347 12.047 41.084 1.00 0.00 H new ATOM 314 N PHE A 22 11.124 15.554 40.924 1.00 0.00 N ATOM 315 CA PHE A 22 9.940 15.784 41.785 1.00 0.00 C ATOM 316 C PHE A 22 9.211 14.484 42.077 1.00 0.00 C ATOM 317 O PHE A 22 9.341 13.514 41.360 1.00 0.00 O ATOM 318 CB PHE A 22 8.955 16.772 41.110 1.00 0.00 C ATOM 319 CG PHE A 22 9.071 16.755 39.579 1.00 0.00 C ATOM 320 CD1 PHE A 22 9.427 15.610 38.886 1.00 0.00 C ATOM 321 CD2 PHE A 22 8.764 17.898 38.861 1.00 0.00 C ATOM 322 CE1 PHE A 22 9.468 15.618 37.508 1.00 0.00 C ATOM 323 CE2 PHE A 22 8.807 17.895 37.488 1.00 0.00 C ATOM 324 CZ PHE A 22 9.158 16.757 36.816 1.00 0.00 C ATOM 0 H PHE A 22 11.016 14.835 40.209 1.00 0.00 H new ATOM 0 HA PHE A 22 10.300 16.209 42.722 1.00 0.00 H new ATOM 0 HB2 PHE A 22 7.935 16.518 41.398 1.00 0.00 H new ATOM 0 HB3 PHE A 22 9.148 17.781 41.476 1.00 0.00 H new ATOM 0 HD1 PHE A 22 9.673 14.708 39.427 1.00 0.00 H new ATOM 0 HD2 PHE A 22 8.488 18.801 39.385 1.00 0.00 H new ATOM 0 HE1 PHE A 22 9.746 14.722 36.973 1.00 0.00 H new ATOM 0 HE2 PHE A 22 8.563 18.792 36.939 1.00 0.00 H new ATOM 0 HZ PHE A 22 9.191 16.757 35.736 1.00 0.00 H new ATOM 334 N LYS A 23 8.465 14.488 43.145 1.00 0.00 N ATOM 335 CA LYS A 23 7.713 13.270 43.515 1.00 0.00 C ATOM 336 C LYS A 23 6.284 13.361 43.008 1.00 0.00 C ATOM 337 O LYS A 23 5.609 14.346 43.235 1.00 0.00 O ATOM 338 CB LYS A 23 7.693 13.167 45.055 1.00 0.00 C ATOM 339 CG LYS A 23 7.457 11.708 45.475 1.00 0.00 C ATOM 340 CD LYS A 23 8.514 11.308 46.506 1.00 0.00 C ATOM 341 CE LYS A 23 8.203 9.903 47.022 1.00 0.00 C ATOM 342 NZ LYS A 23 6.963 9.914 47.850 1.00 0.00 N ATOM 0 H LYS A 23 8.347 15.283 43.773 1.00 0.00 H new ATOM 0 HA LYS A 23 8.189 12.395 43.072 1.00 0.00 H new ATOM 0 HB2 LYS A 23 8.637 13.525 45.465 1.00 0.00 H new ATOM 0 HB3 LYS A 23 6.907 13.804 45.461 1.00 0.00 H new ATOM 0 HG2 LYS A 23 6.458 11.595 45.897 1.00 0.00 H new ATOM 0 HG3 LYS A 23 7.512 11.053 44.606 1.00 0.00 H new ATOM 0 HD2 LYS A 23 9.506 11.332 46.056 1.00 0.00 H new ATOM 0 HD3 LYS A 23 8.521 12.019 47.332 1.00 0.00 H new ATOM 0 HE2 LYS A 23 8.080 9.219 46.182 1.00 0.00 H new ATOM 0 HE3 LYS A 23 9.040 9.533 47.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 6.785 8.959 48.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 7.081 10.577 48.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 6.157 10.214 47.265 1.00 0.00 H new ATOM 356 N VAL A 24 5.853 12.332 42.324 1.00 0.00 N ATOM 357 CA VAL A 24 4.468 12.328 41.786 1.00 0.00 C ATOM 358 C VAL A 24 3.697 11.150 42.321 1.00 0.00 C ATOM 359 O VAL A 24 4.266 10.118 42.620 1.00 0.00 O ATOM 360 CB VAL A 24 4.538 12.208 40.264 1.00 0.00 C ATOM 361 CG1 VAL A 24 3.152 12.473 39.670 1.00 0.00 C ATOM 362 CG2 VAL A 24 5.517 13.242 39.731 1.00 0.00 C ATOM 0 H VAL A 24 6.402 11.498 42.117 1.00 0.00 H new ATOM 0 HA VAL A 24 3.968 13.249 42.085 1.00 0.00 H new ATOM 0 HB VAL A 24 4.868 11.207 39.987 1.00 0.00 H new ATOM 0 HG11 VAL A 24 3.199 12.388 38.584 1.00 0.00 H new ATOM 0 HG12 VAL A 24 2.443 11.743 40.061 1.00 0.00 H new ATOM 0 HG13 VAL A 24 2.826 13.477 39.942 1.00 0.00 H new ATOM 0 HG21 VAL A 24 5.574 13.164 38.645 1.00 0.00 H new ATOM 0 HG22 VAL A 24 5.177 14.241 40.006 1.00 0.00 H new ATOM 0 HG23 VAL A 24 6.503 13.064 40.159 1.00 0.00 H new ATOM 372 N LYS A 25 2.416 11.331 42.437 1.00 0.00 N ATOM 373 CA LYS A 25 1.557 10.228 42.957 1.00 0.00 C ATOM 374 C LYS A 25 0.418 9.937 42.008 1.00 0.00 C ATOM 375 O LYS A 25 -0.304 10.827 41.597 1.00 0.00 O ATOM 376 CB LYS A 25 0.982 10.639 44.317 1.00 0.00 C ATOM 377 CG LYS A 25 2.129 11.078 45.229 1.00 0.00 C ATOM 378 CD LYS A 25 1.552 11.670 46.518 1.00 0.00 C ATOM 379 CE LYS A 25 1.364 10.553 47.544 1.00 0.00 C ATOM 380 NZ LYS A 25 2.610 9.748 47.672 1.00 0.00 N ATOM 0 H LYS A 25 1.923 12.191 42.196 1.00 0.00 H new ATOM 0 HA LYS A 25 2.167 9.330 43.056 1.00 0.00 H new ATOM 0 HB2 LYS A 25 0.267 11.452 44.193 1.00 0.00 H new ATOM 0 HB3 LYS A 25 0.442 9.805 44.765 1.00 0.00 H new ATOM 0 HG2 LYS A 25 2.770 10.228 45.461 1.00 0.00 H new ATOM 0 HG3 LYS A 25 2.750 11.817 44.722 1.00 0.00 H new ATOM 0 HD2 LYS A 25 2.222 12.434 46.913 1.00 0.00 H new ATOM 0 HD3 LYS A 25 0.598 12.157 46.314 1.00 0.00 H new ATOM 0 HE2 LYS A 25 1.099 10.980 48.511 1.00 0.00 H new ATOM 0 HE3 LYS A 25 0.538 9.909 47.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 2.707 9.411 48.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 2.564 8.933 47.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 3.431 10.337 47.426 1.00 0.00 H new ATOM 394 N LEU A 26 0.282 8.691 41.670 1.00 0.00 N ATOM 395 CA LEU A 26 -0.792 8.297 40.753 1.00 0.00 C ATOM 396 C LEU A 26 -2.086 8.055 41.501 1.00 0.00 C ATOM 397 O LEU A 26 -2.084 7.541 42.600 1.00 0.00 O ATOM 398 CB LEU A 26 -0.370 6.997 40.070 1.00 0.00 C ATOM 399 CG LEU A 26 0.620 7.328 38.965 1.00 0.00 C ATOM 400 CD1 LEU A 26 1.527 6.129 38.720 1.00 0.00 C ATOM 401 CD2 LEU A 26 -0.154 7.638 37.696 1.00 0.00 C ATOM 0 H LEU A 26 0.877 7.930 41.996 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.958 9.095 40.030 1.00 0.00 H new ATOM 0 HB2 LEU A 26 0.083 6.320 40.794 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -1.240 6.487 39.658 1.00 0.00 H new ATOM 0 HG LEU A 26 1.226 8.186 39.254 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.237 6.366 37.928 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.070 5.891 39.635 1.00 0.00 H new ATOM 0 HD13 LEU A 26 0.924 5.271 38.422 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.544 7.878 36.894 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.750 6.770 37.412 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.813 8.489 37.870 1.00 0.00 H new ATOM 413 N GLU A 27 -3.173 8.433 40.896 1.00 0.00 N ATOM 414 CA GLU A 27 -4.476 8.230 41.560 1.00 0.00 C ATOM 415 C GLU A 27 -4.588 6.799 42.054 1.00 0.00 C ATOM 416 O GLU A 27 -5.293 6.516 43.002 1.00 0.00 O ATOM 417 CB GLU A 27 -5.589 8.491 40.537 1.00 0.00 C ATOM 418 CG GLU A 27 -5.299 7.690 39.268 1.00 0.00 C ATOM 419 CD GLU A 27 -6.466 7.845 38.292 1.00 0.00 C ATOM 420 OE1 GLU A 27 -7.581 7.659 38.750 1.00 0.00 O ATOM 421 OE2 GLU A 27 -6.177 8.142 37.145 1.00 0.00 O ATOM 0 H GLU A 27 -3.212 8.871 39.976 1.00 0.00 H new ATOM 0 HA GLU A 27 -4.565 8.910 42.407 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -6.555 8.203 40.951 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -5.645 9.555 40.306 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -4.376 8.040 38.807 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -5.153 6.638 39.514 1.00 0.00 H new ATOM 428 N ASN A 28 -3.884 5.914 41.396 1.00 0.00 N ATOM 429 CA ASN A 28 -3.932 4.496 41.808 1.00 0.00 C ATOM 430 C ASN A 28 -3.362 4.334 43.212 1.00 0.00 C ATOM 431 O ASN A 28 -3.580 3.329 43.861 1.00 0.00 O ATOM 432 CB ASN A 28 -3.081 3.680 40.824 1.00 0.00 C ATOM 433 CG ASN A 28 -3.525 3.983 39.391 1.00 0.00 C ATOM 434 OD1 ASN A 28 -2.753 4.449 38.577 1.00 0.00 O ATOM 435 ND2 ASN A 28 -4.758 3.733 39.043 1.00 0.00 N ATOM 0 H ASN A 28 -3.284 6.119 40.597 1.00 0.00 H new ATOM 0 HA ASN A 28 -4.965 4.149 41.806 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -2.026 3.925 40.949 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -3.187 2.615 41.031 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -5.069 3.929 38.092 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -5.410 3.342 39.723 1.00 0.00 H new ATOM 442 N GLY A 29 -2.637 5.337 43.652 1.00 0.00 N ATOM 443 CA GLY A 29 -2.036 5.278 45.017 1.00 0.00 C ATOM 444 C GLY A 29 -0.525 5.024 44.956 1.00 0.00 C ATOM 445 O GLY A 29 0.126 4.962 45.982 1.00 0.00 O ATOM 0 H GLY A 29 -2.438 6.188 43.126 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -2.228 6.215 45.541 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -2.516 4.487 45.593 1.00 0.00 H new ATOM 449 N HIS A 30 0.013 4.886 43.764 1.00 0.00 N ATOM 450 CA HIS A 30 1.480 4.638 43.664 1.00 0.00 C ATOM 451 C HIS A 30 2.269 5.925 43.490 1.00 0.00 C ATOM 452 O HIS A 30 1.821 6.853 42.848 1.00 0.00 O ATOM 453 CB HIS A 30 1.730 3.741 42.456 1.00 0.00 C ATOM 454 CG HIS A 30 0.786 2.554 42.534 1.00 0.00 C ATOM 455 ND1 HIS A 30 -0.285 2.461 41.913 1.00 0.00 N ATOM 456 CD2 HIS A 30 0.876 1.407 43.292 1.00 0.00 C ATOM 457 CE1 HIS A 30 -0.890 1.388 42.190 1.00 0.00 C ATOM 458 NE2 HIS A 30 -0.222 0.641 43.068 1.00 0.00 N ATOM 0 H HIS A 30 -0.491 4.934 42.878 1.00 0.00 H new ATOM 0 HA HIS A 30 1.812 4.169 44.590 1.00 0.00 H new ATOM 0 HB2 HIS A 30 1.566 4.295 41.532 1.00 0.00 H new ATOM 0 HB3 HIS A 30 2.766 3.401 42.444 1.00 0.00 H new ATOM 0 HD2 HIS A 30 1.689 1.158 43.957 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -1.842 1.107 41.763 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -0.470 -0.265 43.466 1.00 0.00 H new ATOM 466 N GLU A 31 3.446 5.943 44.075 1.00 0.00 N ATOM 467 CA GLU A 31 4.311 7.139 43.978 1.00 0.00 C ATOM 468 C GLU A 31 5.475 6.869 43.041 1.00 0.00 C ATOM 469 O GLU A 31 6.024 5.784 43.036 1.00 0.00 O ATOM 470 CB GLU A 31 4.865 7.451 45.375 1.00 0.00 C ATOM 471 CG GLU A 31 5.664 6.246 45.879 1.00 0.00 C ATOM 472 CD GLU A 31 5.975 6.430 47.365 1.00 0.00 C ATOM 473 OE1 GLU A 31 6.950 7.112 47.633 1.00 0.00 O ATOM 474 OE2 GLU A 31 5.218 5.879 48.148 1.00 0.00 O ATOM 0 H GLU A 31 3.836 5.171 44.616 1.00 0.00 H new ATOM 0 HA GLU A 31 3.730 7.977 43.594 1.00 0.00 H new ATOM 0 HB2 GLU A 31 5.501 8.335 45.338 1.00 0.00 H new ATOM 0 HB3 GLU A 31 4.049 7.674 46.062 1.00 0.00 H new ATOM 0 HG2 GLU A 31 5.096 5.329 45.726 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.589 6.146 45.312 1.00 0.00 H new ATOM 481 N ILE A 32 5.837 7.860 42.263 1.00 0.00 N ATOM 482 CA ILE A 32 6.967 7.667 41.319 1.00 0.00 C ATOM 483 C ILE A 32 7.860 8.891 41.246 1.00 0.00 C ATOM 484 O ILE A 32 7.402 10.010 41.374 1.00 0.00 O ATOM 485 CB ILE A 32 6.402 7.424 39.938 1.00 0.00 C ATOM 486 CG1 ILE A 32 5.119 6.610 40.026 1.00 0.00 C ATOM 487 CG2 ILE A 32 7.434 6.637 39.117 1.00 0.00 C ATOM 488 CD1 ILE A 32 3.945 7.555 40.294 1.00 0.00 C ATOM 0 H ILE A 32 5.401 8.782 42.244 1.00 0.00 H new ATOM 0 HA ILE A 32 7.560 6.824 41.673 1.00 0.00 H new ATOM 0 HB ILE A 32 6.183 8.382 39.466 1.00 0.00 H new ATOM 0 HG12 ILE A 32 4.957 6.062 39.098 1.00 0.00 H new ATOM 0 HG13 ILE A 32 5.196 5.871 40.823 1.00 0.00 H new ATOM 0 HG21 ILE A 32 7.040 6.454 38.117 1.00 0.00 H new ATOM 0 HG22 ILE A 32 8.357 7.213 39.044 1.00 0.00 H new ATOM 0 HG23 ILE A 32 7.639 5.685 39.606 1.00 0.00 H new ATOM 0 HD11 ILE A 32 3.022 6.979 40.358 1.00 0.00 H new ATOM 0 HD12 ILE A 32 4.110 8.083 41.233 1.00 0.00 H new ATOM 0 HD13 ILE A 32 3.866 8.277 39.481 1.00 0.00 H new ATOM 500 N LEU A 33 9.128 8.654 41.043 1.00 0.00 N ATOM 501 CA LEU A 33 10.072 9.777 40.954 1.00 0.00 C ATOM 502 C LEU A 33 10.218 10.154 39.498 1.00 0.00 C ATOM 503 O LEU A 33 10.536 9.311 38.681 1.00 0.00 O ATOM 504 CB LEU A 33 11.436 9.323 41.503 1.00 0.00 C ATOM 505 CG LEU A 33 11.445 9.483 43.026 1.00 0.00 C ATOM 506 CD1 LEU A 33 10.147 8.913 43.602 1.00 0.00 C ATOM 507 CD2 LEU A 33 12.633 8.714 43.606 1.00 0.00 C ATOM 0 H LEU A 33 9.540 7.727 40.936 1.00 0.00 H new ATOM 0 HA LEU A 33 9.713 10.630 41.530 1.00 0.00 H new ATOM 0 HB2 LEU A 33 11.622 8.283 41.234 1.00 0.00 H new ATOM 0 HB3 LEU A 33 12.236 9.915 41.058 1.00 0.00 H new ATOM 0 HG LEU A 33 11.528 10.539 43.283 1.00 0.00 H new ATOM 0 HD11 LEU A 33 10.150 9.025 44.686 1.00 0.00 H new ATOM 0 HD12 LEU A 33 9.296 9.451 43.184 1.00 0.00 H new ATOM 0 HD13 LEU A 33 10.069 7.856 43.347 1.00 0.00 H new ATOM 0 HD21 LEU A 33 12.644 8.825 44.690 1.00 0.00 H new ATOM 0 HD22 LEU A 33 12.543 7.658 43.350 1.00 0.00 H new ATOM 0 HD23 LEU A 33 13.560 9.110 43.192 1.00 0.00 H new ATOM 519 N CYS A 34 9.985 11.407 39.185 1.00 0.00 N ATOM 520 CA CYS A 34 10.107 11.834 37.765 1.00 0.00 C ATOM 521 C CYS A 34 11.176 12.891 37.568 1.00 0.00 C ATOM 522 O CYS A 34 11.522 13.611 38.482 1.00 0.00 O ATOM 523 CB CYS A 34 8.756 12.421 37.339 1.00 0.00 C ATOM 524 SG CYS A 34 7.330 11.308 37.347 1.00 0.00 S ATOM 0 H CYS A 34 9.720 12.139 39.844 1.00 0.00 H new ATOM 0 HA CYS A 34 10.389 10.967 37.167 1.00 0.00 H new ATOM 0 HB2 CYS A 34 8.531 13.262 37.995 1.00 0.00 H new ATOM 0 HB3 CYS A 34 8.865 12.823 36.332 1.00 0.00 H new ATOM 0 HG CYS A 34 6.884 11.183 38.562 1.00 0.00 H new ATOM 530 N HIS A 35 11.683 12.952 36.358 1.00 0.00 N ATOM 531 CA HIS A 35 12.737 13.952 36.036 1.00 0.00 C ATOM 532 C HIS A 35 12.233 14.901 34.954 1.00 0.00 C ATOM 533 O HIS A 35 11.355 14.555 34.189 1.00 0.00 O ATOM 534 CB HIS A 35 13.976 13.203 35.512 1.00 0.00 C ATOM 535 CG HIS A 35 15.182 14.149 35.502 1.00 0.00 C ATOM 536 ND1 HIS A 35 15.351 15.084 34.692 1.00 0.00 N ATOM 537 CD2 HIS A 35 16.286 14.180 36.333 1.00 0.00 C ATOM 538 CE1 HIS A 35 16.436 15.702 34.913 1.00 0.00 C ATOM 539 NE2 HIS A 35 17.106 15.195 35.949 1.00 0.00 N ATOM 0 H HIS A 35 11.408 12.349 35.583 1.00 0.00 H new ATOM 0 HA HIS A 35 12.988 14.526 36.928 1.00 0.00 H new ATOM 0 HB2 HIS A 35 14.184 12.338 36.142 1.00 0.00 H new ATOM 0 HB3 HIS A 35 13.788 12.827 34.507 1.00 0.00 H new ATOM 0 HD1 HIS A 35 14.698 15.321 33.945 1.00 0.00 H new ATOM 0 HD2 HIS A 35 16.469 13.505 37.156 1.00 0.00 H new ATOM 0 HE1 HIS A 35 16.779 16.543 34.329 1.00 0.00 H new ATOM 547 N ILE A 36 12.797 16.079 34.907 1.00 0.00 N ATOM 548 CA ILE A 36 12.357 17.057 33.883 1.00 0.00 C ATOM 549 C ILE A 36 13.240 17.013 32.643 1.00 0.00 C ATOM 550 O ILE A 36 14.413 16.706 32.720 1.00 0.00 O ATOM 551 CB ILE A 36 12.431 18.448 34.502 1.00 0.00 C ATOM 552 CG1 ILE A 36 11.242 18.650 35.409 1.00 0.00 C ATOM 553 CG2 ILE A 36 12.377 19.499 33.390 1.00 0.00 C ATOM 554 CD1 ILE A 36 11.444 19.916 36.247 1.00 0.00 C ATOM 0 H ILE A 36 13.538 16.400 35.531 1.00 0.00 H new ATOM 0 HA ILE A 36 11.341 16.811 33.573 1.00 0.00 H new ATOM 0 HB ILE A 36 13.358 18.546 35.067 1.00 0.00 H new ATOM 0 HG12 ILE A 36 10.331 18.735 34.817 1.00 0.00 H new ATOM 0 HG13 ILE A 36 11.119 17.786 36.062 1.00 0.00 H new ATOM 0 HG21 ILE A 36 12.430 20.496 33.828 1.00 0.00 H new ATOM 0 HG22 ILE A 36 13.219 19.356 32.713 1.00 0.00 H new ATOM 0 HG23 ILE A 36 11.444 19.395 32.836 1.00 0.00 H new ATOM 0 HD11 ILE A 36 10.584 20.060 36.901 1.00 0.00 H new ATOM 0 HD12 ILE A 36 12.346 19.813 36.850 1.00 0.00 H new ATOM 0 HD13 ILE A 36 11.546 20.777 35.587 1.00 0.00 H new ATOM 566 N SER A 37 12.649 17.323 31.520 1.00 0.00 N ATOM 567 CA SER A 37 13.419 17.310 30.258 1.00 0.00 C ATOM 568 C SER A 37 14.083 18.662 30.008 1.00 0.00 C ATOM 569 O SER A 37 14.053 19.535 30.847 1.00 0.00 O ATOM 570 CB SER A 37 12.452 17.011 29.102 1.00 0.00 C ATOM 571 OG SER A 37 11.994 15.693 29.365 1.00 0.00 O ATOM 0 H SER A 37 11.667 17.583 31.429 1.00 0.00 H new ATOM 0 HA SER A 37 14.197 16.549 30.326 1.00 0.00 H new ATOM 0 HB2 SER A 37 11.627 17.723 29.079 1.00 0.00 H new ATOM 0 HB3 SER A 37 12.954 17.073 28.136 1.00 0.00 H new ATOM 0 HG SER A 37 12.231 15.109 28.615 1.00 0.00 H new ATOM 577 N GLY A 38 14.666 18.808 28.852 1.00 0.00 N ATOM 578 CA GLY A 38 15.340 20.100 28.530 1.00 0.00 C ATOM 579 C GLY A 38 14.332 21.163 28.066 1.00 0.00 C ATOM 580 O GLY A 38 14.610 22.346 28.134 1.00 0.00 O ATOM 0 H GLY A 38 14.706 18.098 28.121 1.00 0.00 H new ATOM 0 HA2 GLY A 38 15.873 20.462 29.409 1.00 0.00 H new ATOM 0 HA3 GLY A 38 16.084 19.938 27.750 1.00 0.00 H new ATOM 584 N LYS A 39 13.185 20.736 27.606 1.00 0.00 N ATOM 585 CA LYS A 39 12.186 21.732 27.146 1.00 0.00 C ATOM 586 C LYS A 39 11.563 22.481 28.319 1.00 0.00 C ATOM 587 O LYS A 39 11.607 23.694 28.364 1.00 0.00 O ATOM 588 CB LYS A 39 11.089 21.013 26.325 1.00 0.00 C ATOM 589 CG LYS A 39 10.108 20.302 27.259 1.00 0.00 C ATOM 590 CD LYS A 39 9.210 19.379 26.427 1.00 0.00 C ATOM 591 CE LYS A 39 7.746 19.612 26.813 1.00 0.00 C ATOM 592 NZ LYS A 39 7.287 20.948 26.340 1.00 0.00 N ATOM 0 H LYS A 39 12.904 19.758 27.531 1.00 0.00 H new ATOM 0 HA LYS A 39 12.692 22.467 26.520 1.00 0.00 H new ATOM 0 HB2 LYS A 39 10.555 21.735 25.707 1.00 0.00 H new ATOM 0 HB3 LYS A 39 11.546 20.291 25.648 1.00 0.00 H new ATOM 0 HG2 LYS A 39 10.651 19.725 28.007 1.00 0.00 H new ATOM 0 HG3 LYS A 39 9.503 21.032 27.797 1.00 0.00 H new ATOM 0 HD2 LYS A 39 9.353 19.575 25.364 1.00 0.00 H new ATOM 0 HD3 LYS A 39 9.482 18.337 26.599 1.00 0.00 H new ATOM 0 HE2 LYS A 39 7.121 18.832 26.379 1.00 0.00 H new ATOM 0 HE3 LYS A 39 7.634 19.545 27.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 6.249 20.957 26.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 7.603 21.680 27.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 7.689 21.140 25.400 1.00 0.00 H new ATOM 606 N LEU A 40 10.997 21.766 29.246 1.00 0.00 N ATOM 607 CA LEU A 40 10.385 22.462 30.399 1.00 0.00 C ATOM 608 C LEU A 40 11.417 23.345 31.020 1.00 0.00 C ATOM 609 O LEU A 40 11.113 24.295 31.715 1.00 0.00 O ATOM 610 CB LEU A 40 9.928 21.412 31.419 1.00 0.00 C ATOM 611 CG LEU A 40 8.906 20.498 30.749 1.00 0.00 C ATOM 612 CD1 LEU A 40 9.533 19.140 30.457 1.00 0.00 C ATOM 613 CD2 LEU A 40 7.714 20.294 31.687 1.00 0.00 C ATOM 0 H LEU A 40 10.933 20.748 29.254 1.00 0.00 H new ATOM 0 HA LEU A 40 9.531 23.059 30.080 1.00 0.00 H new ATOM 0 HB2 LEU A 40 10.780 20.832 31.773 1.00 0.00 H new ATOM 0 HB3 LEU A 40 9.488 21.897 32.291 1.00 0.00 H new ATOM 0 HG LEU A 40 8.579 20.959 29.817 1.00 0.00 H new ATOM 0 HD11 LEU A 40 8.796 18.494 29.979 1.00 0.00 H new ATOM 0 HD12 LEU A 40 10.388 19.269 29.793 1.00 0.00 H new ATOM 0 HD13 LEU A 40 9.864 18.684 31.390 1.00 0.00 H new ATOM 0 HD21 LEU A 40 6.983 19.641 31.210 1.00 0.00 H new ATOM 0 HD22 LEU A 40 8.056 19.838 32.616 1.00 0.00 H new ATOM 0 HD23 LEU A 40 7.253 21.257 31.904 1.00 0.00 H new ATOM 625 N ARG A 41 12.628 23.006 30.755 1.00 0.00 N ATOM 626 CA ARG A 41 13.735 23.782 31.296 1.00 0.00 C ATOM 627 C ARG A 41 13.818 25.114 30.579 1.00 0.00 C ATOM 628 O ARG A 41 14.064 26.140 31.182 1.00 0.00 O ATOM 629 CB ARG A 41 15.021 22.997 31.046 1.00 0.00 C ATOM 630 CG ARG A 41 15.876 23.047 32.293 1.00 0.00 C ATOM 631 CD ARG A 41 15.147 22.341 33.437 1.00 0.00 C ATOM 632 NE ARG A 41 16.137 21.562 34.235 1.00 0.00 N ATOM 633 CZ ARG A 41 15.958 21.425 35.521 1.00 0.00 C ATOM 634 NH1 ARG A 41 16.954 21.673 36.329 1.00 0.00 N ATOM 635 NH2 ARG A 41 14.790 21.042 35.957 1.00 0.00 N ATOM 0 H ARG A 41 12.897 22.210 30.176 1.00 0.00 H new ATOM 0 HA ARG A 41 13.591 23.959 32.362 1.00 0.00 H new ATOM 0 HB2 ARG A 41 14.788 21.963 30.790 1.00 0.00 H new ATOM 0 HB3 ARG A 41 15.563 23.421 30.200 1.00 0.00 H new ATOM 0 HG2 ARG A 41 16.837 22.567 32.108 1.00 0.00 H new ATOM 0 HG3 ARG A 41 16.084 24.082 32.563 1.00 0.00 H new ATOM 0 HD2 ARG A 41 14.644 23.071 34.071 1.00 0.00 H new ATOM 0 HD3 ARG A 41 14.377 21.678 33.041 1.00 0.00 H new ATOM 0 HE ARG A 41 16.947 21.140 33.780 1.00 0.00 H new ATOM 0 HH11 ARG A 41 17.855 21.969 35.953 1.00 0.00 H new ATOM 0 HH12 ARG A 41 16.831 21.571 37.336 1.00 0.00 H new ATOM 0 HH21 ARG A 41 14.035 20.855 35.297 1.00 0.00 H new ATOM 0 HH22 ARG A 41 14.631 20.929 36.958 1.00 0.00 H new ATOM 649 N MET A 42 13.607 25.071 29.290 1.00 0.00 N ATOM 650 CA MET A 42 13.664 26.313 28.502 1.00 0.00 C ATOM 651 C MET A 42 12.450 27.189 28.786 1.00 0.00 C ATOM 652 O MET A 42 12.533 28.400 28.735 1.00 0.00 O ATOM 653 CB MET A 42 13.674 25.941 27.011 1.00 0.00 C ATOM 654 CG MET A 42 15.073 25.453 26.624 1.00 0.00 C ATOM 655 SD MET A 42 16.434 26.637 26.762 1.00 0.00 S ATOM 656 CE MET A 42 16.395 27.229 25.052 1.00 0.00 C ATOM 0 H MET A 42 13.399 24.225 28.759 1.00 0.00 H new ATOM 0 HA MET A 42 14.563 26.867 28.772 1.00 0.00 H new ATOM 0 HB2 MET A 42 12.937 25.163 26.813 1.00 0.00 H new ATOM 0 HB3 MET A 42 13.397 26.805 26.406 1.00 0.00 H new ATOM 0 HG2 MET A 42 15.313 24.590 27.245 1.00 0.00 H new ATOM 0 HG3 MET A 42 15.034 25.103 25.593 1.00 0.00 H new ATOM 0 HE1 MET A 42 17.169 27.983 24.910 1.00 0.00 H new ATOM 0 HE2 MET A 42 16.573 26.394 24.374 1.00 0.00 H new ATOM 0 HE3 MET A 42 15.419 27.666 24.841 1.00 0.00 H new ATOM 666 N ASN A 43 11.336 26.563 29.084 1.00 0.00 N ATOM 667 CA ASN A 43 10.120 27.358 29.371 1.00 0.00 C ATOM 668 C ASN A 43 10.226 28.009 30.746 1.00 0.00 C ATOM 669 O ASN A 43 9.746 29.105 30.961 1.00 0.00 O ATOM 670 CB ASN A 43 8.910 26.412 29.352 1.00 0.00 C ATOM 671 CG ASN A 43 8.626 25.986 27.911 1.00 0.00 C ATOM 672 OD1 ASN A 43 8.908 24.873 27.513 1.00 0.00 O ATOM 673 ND2 ASN A 43 8.070 26.841 27.095 1.00 0.00 N ATOM 0 H ASN A 43 11.225 25.551 29.138 1.00 0.00 H new ATOM 0 HA ASN A 43 10.009 28.141 28.621 1.00 0.00 H new ATOM 0 HB2 ASN A 43 9.108 25.536 29.970 1.00 0.00 H new ATOM 0 HB3 ASN A 43 8.038 26.910 29.775 1.00 0.00 H new ATOM 0 HD21 ASN A 43 7.875 26.573 26.130 1.00 0.00 H new ATOM 0 HD22 ASN A 43 7.831 27.777 27.422 1.00 0.00 H new ATOM 680 N PHE A 44 10.863 27.314 31.652 1.00 0.00 N ATOM 681 CA PHE A 44 11.026 27.857 33.026 1.00 0.00 C ATOM 682 C PHE A 44 9.764 28.562 33.510 1.00 0.00 C ATOM 683 O PHE A 44 9.782 29.745 33.787 1.00 0.00 O ATOM 684 CB PHE A 44 12.179 28.872 33.008 1.00 0.00 C ATOM 685 CG PHE A 44 12.673 29.102 34.438 1.00 0.00 C ATOM 686 CD1 PHE A 44 13.211 28.058 35.173 1.00 0.00 C ATOM 687 CD2 PHE A 44 12.588 30.358 35.018 1.00 0.00 C ATOM 688 CE1 PHE A 44 13.655 28.268 36.462 1.00 0.00 C ATOM 689 CE2 PHE A 44 13.034 30.563 36.307 1.00 0.00 C ATOM 690 CZ PHE A 44 13.566 29.518 37.028 1.00 0.00 C ATOM 0 H PHE A 44 11.276 26.394 31.497 1.00 0.00 H new ATOM 0 HA PHE A 44 11.231 27.028 33.703 1.00 0.00 H new ATOM 0 HB2 PHE A 44 12.994 28.503 32.385 1.00 0.00 H new ATOM 0 HB3 PHE A 44 11.844 29.813 32.571 1.00 0.00 H new ATOM 0 HD1 PHE A 44 13.283 27.074 34.734 1.00 0.00 H new ATOM 0 HD2 PHE A 44 12.170 31.181 34.457 1.00 0.00 H new ATOM 0 HE1 PHE A 44 14.073 27.449 37.028 1.00 0.00 H new ATOM 0 HE2 PHE A 44 12.966 31.545 36.751 1.00 0.00 H new ATOM 0 HZ PHE A 44 13.913 29.680 38.038 1.00 0.00 H new ATOM 700 N ILE A 45 8.690 27.829 33.603 1.00 0.00 N ATOM 701 CA ILE A 45 7.435 28.448 34.065 1.00 0.00 C ATOM 702 C ILE A 45 7.363 28.416 35.582 1.00 0.00 C ATOM 703 O ILE A 45 8.355 28.176 36.242 1.00 0.00 O ATOM 704 CB ILE A 45 6.258 27.649 33.506 1.00 0.00 C ATOM 705 CG1 ILE A 45 6.641 27.030 32.172 1.00 0.00 C ATOM 706 CG2 ILE A 45 5.074 28.608 33.285 1.00 0.00 C ATOM 707 CD1 ILE A 45 7.068 25.579 32.400 1.00 0.00 C ATOM 0 H ILE A 45 8.635 26.835 33.379 1.00 0.00 H new ATOM 0 HA ILE A 45 7.398 29.482 33.722 1.00 0.00 H new ATOM 0 HB ILE A 45 5.987 26.859 34.207 1.00 0.00 H new ATOM 0 HG12 ILE A 45 5.798 27.070 31.482 1.00 0.00 H new ATOM 0 HG13 ILE A 45 7.454 27.594 31.715 1.00 0.00 H new ATOM 0 HG21 ILE A 45 4.225 28.052 32.886 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.794 29.065 34.234 1.00 0.00 H new ATOM 0 HG23 ILE A 45 5.363 29.386 32.578 1.00 0.00 H new ATOM 0 HD11 ILE A 45 7.345 25.127 31.447 1.00 0.00 H new ATOM 0 HD12 ILE A 45 7.923 25.553 33.076 1.00 0.00 H new ATOM 0 HD13 ILE A 45 6.241 25.021 32.840 1.00 0.00 H new ATOM 719 N ARG A 46 6.184 28.655 36.107 1.00 0.00 N ATOM 720 CA ARG A 46 6.013 28.645 37.577 1.00 0.00 C ATOM 721 C ARG A 46 5.008 27.579 37.988 1.00 0.00 C ATOM 722 O ARG A 46 3.886 27.880 38.343 1.00 0.00 O ATOM 723 CB ARG A 46 5.493 30.024 38.027 1.00 0.00 C ATOM 724 CG ARG A 46 4.611 30.626 36.928 1.00 0.00 C ATOM 725 CD ARG A 46 4.232 32.056 37.321 1.00 0.00 C ATOM 726 NE ARG A 46 3.259 32.595 36.330 1.00 0.00 N ATOM 727 CZ ARG A 46 1.982 32.405 36.516 1.00 0.00 C ATOM 728 NH1 ARG A 46 1.204 32.293 35.475 1.00 0.00 N ATOM 729 NH2 ARG A 46 1.524 32.338 37.737 1.00 0.00 N ATOM 0 H ARG A 46 5.339 28.856 35.573 1.00 0.00 H new ATOM 0 HA ARG A 46 6.972 28.426 38.046 1.00 0.00 H new ATOM 0 HB2 ARG A 46 4.923 29.925 38.951 1.00 0.00 H new ATOM 0 HB3 ARG A 46 6.331 30.688 38.239 1.00 0.00 H new ATOM 0 HG2 ARG A 46 5.142 30.625 35.976 1.00 0.00 H new ATOM 0 HG3 ARG A 46 3.714 30.022 36.793 1.00 0.00 H new ATOM 0 HD2 ARG A 46 3.796 32.068 38.320 1.00 0.00 H new ATOM 0 HD3 ARG A 46 5.122 32.685 37.354 1.00 0.00 H new ATOM 0 HE ARG A 46 3.589 33.108 35.513 1.00 0.00 H new ATOM 0 HH11 ARG A 46 1.597 32.354 34.536 1.00 0.00 H new ATOM 0 HH12 ARG A 46 0.203 32.144 35.600 1.00 0.00 H new ATOM 0 HH21 ARG A 46 2.162 32.434 38.527 1.00 0.00 H new ATOM 0 HH22 ARG A 46 0.528 32.190 37.901 1.00 0.00 H new ATOM 743 N ILE A 47 5.435 26.345 37.929 1.00 0.00 N ATOM 744 CA ILE A 47 4.531 25.233 38.310 1.00 0.00 C ATOM 745 C ILE A 47 4.803 24.795 39.742 1.00 0.00 C ATOM 746 O ILE A 47 5.935 24.805 40.187 1.00 0.00 O ATOM 747 CB ILE A 47 4.797 24.054 37.373 1.00 0.00 C ATOM 748 CG1 ILE A 47 4.201 24.340 35.994 1.00 0.00 C ATOM 749 CG2 ILE A 47 4.128 22.797 37.957 1.00 0.00 C ATOM 750 CD1 ILE A 47 2.703 24.000 35.994 1.00 0.00 C ATOM 0 H ILE A 47 6.370 26.065 37.633 1.00 0.00 H new ATOM 0 HA ILE A 47 3.496 25.565 38.233 1.00 0.00 H new ATOM 0 HB ILE A 47 5.872 23.902 37.276 1.00 0.00 H new ATOM 0 HG12 ILE A 47 4.345 25.389 35.736 1.00 0.00 H new ATOM 0 HG13 ILE A 47 4.717 23.751 35.235 1.00 0.00 H new ATOM 0 HG21 ILE A 47 4.310 21.948 37.298 1.00 0.00 H new ATOM 0 HG22 ILE A 47 4.545 22.587 38.942 1.00 0.00 H new ATOM 0 HG23 ILE A 47 3.054 22.964 38.045 1.00 0.00 H new ATOM 0 HD11 ILE A 47 2.283 24.206 35.009 1.00 0.00 H new ATOM 0 HD12 ILE A 47 2.569 22.945 36.232 1.00 0.00 H new ATOM 0 HD13 ILE A 47 2.192 24.608 36.740 1.00 0.00 H new ATOM 762 N LEU A 48 3.756 24.422 40.438 1.00 0.00 N ATOM 763 CA LEU A 48 3.921 23.976 41.851 1.00 0.00 C ATOM 764 C LEU A 48 3.286 22.608 42.062 1.00 0.00 C ATOM 765 O LEU A 48 2.359 22.239 41.369 1.00 0.00 O ATOM 766 CB LEU A 48 3.210 24.991 42.761 1.00 0.00 C ATOM 767 CG LEU A 48 4.253 25.893 43.428 1.00 0.00 C ATOM 768 CD1 LEU A 48 5.006 26.678 42.350 1.00 0.00 C ATOM 769 CD2 LEU A 48 3.541 26.878 44.362 1.00 0.00 C ATOM 0 H LEU A 48 2.798 24.408 40.087 1.00 0.00 H new ATOM 0 HA LEU A 48 4.984 23.910 42.084 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.512 25.592 42.178 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.626 24.470 43.519 1.00 0.00 H new ATOM 0 HG LEU A 48 4.955 25.284 43.998 1.00 0.00 H new ATOM 0 HD11 LEU A 48 5.749 27.321 42.821 1.00 0.00 H new ATOM 0 HD12 LEU A 48 5.504 25.982 41.674 1.00 0.00 H new ATOM 0 HD13 LEU A 48 4.302 27.290 41.787 1.00 0.00 H new ATOM 0 HD21 LEU A 48 4.278 27.523 44.840 1.00 0.00 H new ATOM 0 HD22 LEU A 48 2.845 27.487 43.786 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.993 26.325 45.125 1.00 0.00 H new ATOM 781 N GLU A 49 3.807 21.877 43.016 1.00 0.00 N ATOM 782 CA GLU A 49 3.258 20.534 43.298 1.00 0.00 C ATOM 783 C GLU A 49 1.740 20.532 43.214 1.00 0.00 C ATOM 784 O GLU A 49 1.102 21.542 43.442 1.00 0.00 O ATOM 785 CB GLU A 49 3.676 20.130 44.722 1.00 0.00 C ATOM 786 CG GLU A 49 3.221 21.211 45.706 1.00 0.00 C ATOM 787 CD GLU A 49 1.724 21.054 45.979 1.00 0.00 C ATOM 788 OE1 GLU A 49 1.300 19.910 46.029 1.00 0.00 O ATOM 789 OE2 GLU A 49 1.089 22.085 46.123 1.00 0.00 O ATOM 0 H GLU A 49 4.589 22.160 43.607 1.00 0.00 H new ATOM 0 HA GLU A 49 3.644 19.833 42.558 1.00 0.00 H new ATOM 0 HB2 GLU A 49 3.231 19.171 44.986 1.00 0.00 H new ATOM 0 HB3 GLU A 49 4.758 20.005 44.775 1.00 0.00 H new ATOM 0 HG2 GLU A 49 3.782 21.130 46.637 1.00 0.00 H new ATOM 0 HG3 GLU A 49 3.425 22.200 45.296 1.00 0.00 H new ATOM 796 N GLY A 50 1.190 19.396 42.890 1.00 0.00 N ATOM 797 CA GLY A 50 -0.290 19.304 42.782 1.00 0.00 C ATOM 798 C GLY A 50 -0.704 19.443 41.321 1.00 0.00 C ATOM 799 O GLY A 50 -1.820 19.133 40.955 1.00 0.00 O ATOM 0 H GLY A 50 1.698 18.533 42.697 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -0.635 18.350 43.179 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -0.758 20.086 43.379 1.00 0.00 H new ATOM 803 N ASP A 51 0.211 19.909 40.512 1.00 0.00 N ATOM 804 CA ASP A 51 -0.105 20.076 39.079 1.00 0.00 C ATOM 805 C ASP A 51 -0.092 18.729 38.377 1.00 0.00 C ATOM 806 O ASP A 51 0.828 17.952 38.537 1.00 0.00 O ATOM 807 CB ASP A 51 0.964 20.975 38.444 1.00 0.00 C ATOM 808 CG ASP A 51 0.372 21.684 37.225 1.00 0.00 C ATOM 809 OD1 ASP A 51 0.438 21.084 36.165 1.00 0.00 O ATOM 810 OD2 ASP A 51 -0.111 22.787 37.422 1.00 0.00 O ATOM 0 H ASP A 51 1.156 20.177 40.787 1.00 0.00 H new ATOM 0 HA ASP A 51 -1.095 20.522 38.978 1.00 0.00 H new ATOM 0 HB2 ASP A 51 1.316 21.708 39.170 1.00 0.00 H new ATOM 0 HB3 ASP A 51 1.827 20.379 38.148 1.00 0.00 H new ATOM 815 N LYS A 52 -1.112 18.471 37.614 1.00 0.00 N ATOM 816 CA LYS A 52 -1.170 17.192 36.906 1.00 0.00 C ATOM 817 C LYS A 52 -0.283 17.195 35.711 1.00 0.00 C ATOM 818 O LYS A 52 -0.100 18.199 35.056 1.00 0.00 O ATOM 819 CB LYS A 52 -2.612 16.928 36.468 1.00 0.00 C ATOM 820 CG LYS A 52 -3.364 18.244 36.490 1.00 0.00 C ATOM 821 CD LYS A 52 -4.777 18.037 35.938 1.00 0.00 C ATOM 822 CE LYS A 52 -5.418 19.402 35.675 1.00 0.00 C ATOM 823 NZ LYS A 52 -5.240 20.300 36.852 1.00 0.00 N ATOM 0 H LYS A 52 -1.902 19.097 37.457 1.00 0.00 H new ATOM 0 HA LYS A 52 -0.828 16.407 37.581 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -2.632 16.496 35.468 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -3.086 16.208 37.136 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -3.413 18.629 37.508 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -2.835 18.987 35.893 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -4.739 17.456 35.017 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -5.379 17.470 36.648 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -4.969 19.857 34.792 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -6.480 19.277 35.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -5.952 21.058 36.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -5.356 19.751 37.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -4.288 20.718 36.829 1.00 0.00 H new ATOM 837 N VAL A 53 0.251 16.060 35.447 1.00 0.00 N ATOM 838 CA VAL A 53 1.154 15.938 34.290 1.00 0.00 C ATOM 839 C VAL A 53 1.161 14.531 33.721 1.00 0.00 C ATOM 840 O VAL A 53 0.599 13.622 34.299 1.00 0.00 O ATOM 841 CB VAL A 53 2.552 16.231 34.802 1.00 0.00 C ATOM 842 CG1 VAL A 53 2.608 17.655 35.326 1.00 0.00 C ATOM 843 CG2 VAL A 53 2.878 15.265 35.943 1.00 0.00 C ATOM 0 H VAL A 53 0.104 15.204 35.982 1.00 0.00 H new ATOM 0 HA VAL A 53 0.826 16.620 33.506 1.00 0.00 H new ATOM 0 HB VAL A 53 3.273 16.109 33.993 1.00 0.00 H new ATOM 0 HG11 VAL A 53 3.611 17.868 35.694 1.00 0.00 H new ATOM 0 HG12 VAL A 53 2.362 18.349 34.522 1.00 0.00 H new ATOM 0 HG13 VAL A 53 1.891 17.772 36.138 1.00 0.00 H new ATOM 0 HG21 VAL A 53 3.881 15.469 36.317 1.00 0.00 H new ATOM 0 HG22 VAL A 53 2.157 15.397 36.749 1.00 0.00 H new ATOM 0 HG23 VAL A 53 2.829 14.240 35.577 1.00 0.00 H new ATOM 853 N ASN A 54 1.808 14.376 32.583 1.00 0.00 N ATOM 854 CA ASN A 54 1.872 13.036 31.960 1.00 0.00 C ATOM 855 C ASN A 54 3.200 12.408 32.331 1.00 0.00 C ATOM 856 O ASN A 54 4.245 12.920 31.975 1.00 0.00 O ATOM 857 CB ASN A 54 1.778 13.184 30.434 1.00 0.00 C ATOM 858 CG ASN A 54 0.397 12.716 29.969 1.00 0.00 C ATOM 859 OD1 ASN A 54 0.138 11.535 29.853 1.00 0.00 O ATOM 860 ND2 ASN A 54 -0.515 13.607 29.696 1.00 0.00 N ATOM 0 H ASN A 54 2.285 15.120 32.074 1.00 0.00 H new ATOM 0 HA ASN A 54 1.050 12.410 32.308 1.00 0.00 H new ATOM 0 HB2 ASN A 54 1.939 14.223 30.146 1.00 0.00 H new ATOM 0 HB3 ASN A 54 2.557 12.595 29.950 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -1.441 13.311 29.387 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -0.303 14.600 29.792 1.00 0.00 H new ATOM 867 N VAL A 55 3.143 11.306 33.034 1.00 0.00 N ATOM 868 CA VAL A 55 4.395 10.635 33.442 1.00 0.00 C ATOM 869 C VAL A 55 4.684 9.390 32.625 1.00 0.00 C ATOM 870 O VAL A 55 3.857 8.506 32.513 1.00 0.00 O ATOM 871 CB VAL A 55 4.241 10.212 34.908 1.00 0.00 C ATOM 872 CG1 VAL A 55 5.599 9.763 35.448 1.00 0.00 C ATOM 873 CG2 VAL A 55 3.735 11.398 35.731 1.00 0.00 C ATOM 0 H VAL A 55 2.283 10.850 33.338 1.00 0.00 H new ATOM 0 HA VAL A 55 5.218 11.333 33.288 1.00 0.00 H new ATOM 0 HB VAL A 55 3.528 9.391 34.978 1.00 0.00 H new ATOM 0 HG11 VAL A 55 5.494 9.461 36.490 1.00 0.00 H new ATOM 0 HG12 VAL A 55 5.963 8.920 34.861 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.309 10.587 35.378 1.00 0.00 H new ATOM 0 HG21 VAL A 55 3.625 11.097 36.773 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.449 12.219 35.663 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.770 11.724 35.344 1.00 0.00 H new ATOM 883 N GLU A 56 5.865 9.351 32.072 1.00 0.00 N ATOM 884 CA GLU A 56 6.261 8.184 31.257 1.00 0.00 C ATOM 885 C GLU A 56 7.153 7.286 32.096 1.00 0.00 C ATOM 886 O GLU A 56 8.224 7.696 32.509 1.00 0.00 O ATOM 887 CB GLU A 56 7.055 8.683 30.039 1.00 0.00 C ATOM 888 CG GLU A 56 7.522 7.479 29.213 1.00 0.00 C ATOM 889 CD GLU A 56 6.872 7.530 27.828 1.00 0.00 C ATOM 890 OE1 GLU A 56 7.619 7.743 26.888 1.00 0.00 O ATOM 891 OE2 GLU A 56 5.665 7.355 27.791 1.00 0.00 O ATOM 0 H GLU A 56 6.571 10.083 32.154 1.00 0.00 H new ATOM 0 HA GLU A 56 5.380 7.633 30.928 1.00 0.00 H new ATOM 0 HB2 GLU A 56 6.434 9.339 29.429 1.00 0.00 H new ATOM 0 HB3 GLU A 56 7.913 9.270 30.365 1.00 0.00 H new ATOM 0 HG2 GLU A 56 8.608 7.488 29.118 1.00 0.00 H new ATOM 0 HG3 GLU A 56 7.254 6.551 29.719 1.00 0.00 H new ATOM 898 N LEU A 57 6.701 6.081 32.344 1.00 0.00 N ATOM 899 CA LEU A 57 7.522 5.149 33.165 1.00 0.00 C ATOM 900 C LEU A 57 8.286 4.173 32.279 1.00 0.00 C ATOM 901 O LEU A 57 7.826 3.807 31.214 1.00 0.00 O ATOM 902 CB LEU A 57 6.584 4.340 34.085 1.00 0.00 C ATOM 903 CG LEU A 57 5.566 5.276 34.752 1.00 0.00 C ATOM 904 CD1 LEU A 57 4.280 4.496 35.037 1.00 0.00 C ATOM 905 CD2 LEU A 57 6.141 5.787 36.071 1.00 0.00 C ATOM 0 H LEU A 57 5.810 5.709 32.016 1.00 0.00 H new ATOM 0 HA LEU A 57 8.235 5.733 33.747 1.00 0.00 H new ATOM 0 HB2 LEU A 57 6.064 3.577 33.507 1.00 0.00 H new ATOM 0 HB3 LEU A 57 7.167 3.821 34.846 1.00 0.00 H new ATOM 0 HG LEU A 57 5.352 6.117 34.092 1.00 0.00 H new ATOM 0 HD11 LEU A 57 3.552 5.155 35.511 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.870 4.116 34.101 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.501 3.661 35.702 1.00 0.00 H new ATOM 0 HD21 LEU A 57 5.421 6.452 36.548 1.00 0.00 H new ATOM 0 HD22 LEU A 57 6.347 4.943 36.729 1.00 0.00 H new ATOM 0 HD23 LEU A 57 7.066 6.331 35.878 1.00 0.00 H new ATOM 917 N SER A 58 9.441 3.759 32.738 1.00 0.00 N ATOM 918 CA SER A 58 10.244 2.804 31.928 1.00 0.00 C ATOM 919 C SER A 58 9.874 1.341 32.270 1.00 0.00 C ATOM 920 O SER A 58 9.730 0.995 33.426 1.00 0.00 O ATOM 921 CB SER A 58 11.728 3.023 32.266 1.00 0.00 C ATOM 922 OG SER A 58 12.203 3.857 31.220 1.00 0.00 O ATOM 0 H SER A 58 9.855 4.039 33.627 1.00 0.00 H new ATOM 0 HA SER A 58 10.044 2.977 30.871 1.00 0.00 H new ATOM 0 HB2 SER A 58 11.849 3.497 33.240 1.00 0.00 H new ATOM 0 HB3 SER A 58 12.272 2.079 32.301 1.00 0.00 H new ATOM 0 HG SER A 58 13.154 4.049 31.361 1.00 0.00 H new ATOM 928 N PRO A 59 9.724 0.500 31.242 1.00 0.00 N ATOM 929 CA PRO A 59 9.375 -0.909 31.448 1.00 0.00 C ATOM 930 C PRO A 59 10.418 -1.631 32.299 1.00 0.00 C ATOM 931 O PRO A 59 10.196 -2.742 32.741 1.00 0.00 O ATOM 932 CB PRO A 59 9.358 -1.526 30.032 1.00 0.00 C ATOM 933 CG PRO A 59 9.740 -0.397 29.028 1.00 0.00 C ATOM 934 CD PRO A 59 9.890 0.901 29.837 1.00 0.00 C ATOM 0 HA PRO A 59 8.423 -1.002 31.971 1.00 0.00 H new ATOM 0 HB2 PRO A 59 10.064 -2.354 29.965 1.00 0.00 H new ATOM 0 HB3 PRO A 59 8.372 -1.928 29.800 1.00 0.00 H new ATOM 0 HG2 PRO A 59 10.670 -0.639 28.513 1.00 0.00 H new ATOM 0 HG3 PRO A 59 8.971 -0.287 28.263 1.00 0.00 H new ATOM 0 HD2 PRO A 59 10.865 1.358 29.671 1.00 0.00 H new ATOM 0 HD3 PRO A 59 9.139 1.636 29.546 1.00 0.00 H new ATOM 942 N TYR A 60 11.534 -0.978 32.517 1.00 0.00 N ATOM 943 CA TYR A 60 12.595 -1.583 33.318 1.00 0.00 C ATOM 944 C TYR A 60 12.578 -0.997 34.704 1.00 0.00 C ATOM 945 O TYR A 60 13.188 -1.518 35.617 1.00 0.00 O ATOM 946 CB TYR A 60 13.947 -1.264 32.656 1.00 0.00 C ATOM 947 CG TYR A 60 15.057 -1.323 33.710 1.00 0.00 C ATOM 948 CD1 TYR A 60 15.439 -2.529 34.260 1.00 0.00 C ATOM 949 CD2 TYR A 60 15.696 -0.170 34.120 1.00 0.00 C ATOM 950 CE1 TYR A 60 16.443 -2.581 35.208 1.00 0.00 C ATOM 951 CE2 TYR A 60 16.698 -0.222 35.067 1.00 0.00 C ATOM 952 CZ TYR A 60 17.080 -1.429 35.618 1.00 0.00 C ATOM 953 OH TYR A 60 18.083 -1.481 36.563 1.00 0.00 O ATOM 0 H TYR A 60 11.739 -0.044 32.163 1.00 0.00 H new ATOM 0 HA TYR A 60 12.445 -2.661 33.379 1.00 0.00 H new ATOM 0 HB2 TYR A 60 14.151 -1.977 31.857 1.00 0.00 H new ATOM 0 HB3 TYR A 60 13.916 -0.275 32.199 1.00 0.00 H new ATOM 0 HD1 TYR A 60 14.950 -3.440 33.947 1.00 0.00 H new ATOM 0 HD2 TYR A 60 15.409 0.781 33.696 1.00 0.00 H new ATOM 0 HE1 TYR A 60 16.731 -3.532 35.631 1.00 0.00 H new ATOM 0 HE2 TYR A 60 17.187 0.689 35.380 1.00 0.00 H new ATOM 0 HH TYR A 60 18.421 -0.577 36.732 1.00 0.00 H new ATOM 963 N ASP A 61 11.871 0.091 34.834 1.00 0.00 N ATOM 964 CA ASP A 61 11.783 0.747 36.143 1.00 0.00 C ATOM 965 C ASP A 61 10.400 1.342 36.350 1.00 0.00 C ATOM 966 O ASP A 61 10.202 2.529 36.182 1.00 0.00 O ATOM 967 CB ASP A 61 12.822 1.877 36.192 1.00 0.00 C ATOM 968 CG ASP A 61 14.217 1.277 36.374 1.00 0.00 C ATOM 969 OD1 ASP A 61 14.301 0.315 37.120 1.00 0.00 O ATOM 970 OD2 ASP A 61 15.122 1.814 35.755 1.00 0.00 O ATOM 0 H ASP A 61 11.354 0.546 34.082 1.00 0.00 H new ATOM 0 HA ASP A 61 11.971 0.012 36.926 1.00 0.00 H new ATOM 0 HB2 ASP A 61 12.783 2.462 35.273 1.00 0.00 H new ATOM 0 HB3 ASP A 61 12.597 2.558 37.013 1.00 0.00 H new ATOM 975 N LEU A 62 9.463 0.507 36.714 1.00 0.00 N ATOM 976 CA LEU A 62 8.091 1.016 36.934 1.00 0.00 C ATOM 977 C LEU A 62 8.038 1.853 38.190 1.00 0.00 C ATOM 978 O LEU A 62 6.985 2.068 38.759 1.00 0.00 O ATOM 979 CB LEU A 62 7.142 -0.177 37.086 1.00 0.00 C ATOM 980 CG LEU A 62 7.215 -1.033 35.822 1.00 0.00 C ATOM 981 CD1 LEU A 62 7.040 -2.503 36.202 1.00 0.00 C ATOM 982 CD2 LEU A 62 6.091 -0.621 34.869 1.00 0.00 C ATOM 0 H LEU A 62 9.592 -0.493 36.865 1.00 0.00 H new ATOM 0 HA LEU A 62 7.795 1.633 36.085 1.00 0.00 H new ATOM 0 HB2 LEU A 62 7.418 -0.769 37.959 1.00 0.00 H new ATOM 0 HB3 LEU A 62 6.122 0.171 37.247 1.00 0.00 H new ATOM 0 HG LEU A 62 8.180 -0.891 35.335 1.00 0.00 H new ATOM 0 HD11 LEU A 62 7.091 -3.119 35.304 1.00 0.00 H new ATOM 0 HD12 LEU A 62 7.832 -2.798 36.890 1.00 0.00 H new ATOM 0 HD13 LEU A 62 6.072 -2.642 36.683 1.00 0.00 H new ATOM 0 HD21 LEU A 62 6.139 -1.229 33.966 1.00 0.00 H new ATOM 0 HD22 LEU A 62 5.128 -0.771 35.356 1.00 0.00 H new ATOM 0 HD23 LEU A 62 6.205 0.430 34.605 1.00 0.00 H new ATOM 994 N THR A 63 9.187 2.311 38.591 1.00 0.00 N ATOM 995 CA THR A 63 9.281 3.145 39.805 1.00 0.00 C ATOM 996 C THR A 63 9.822 4.522 39.458 1.00 0.00 C ATOM 997 O THR A 63 9.818 5.418 40.280 1.00 0.00 O ATOM 998 CB THR A 63 10.255 2.465 40.763 1.00 0.00 C ATOM 999 OG1 THR A 63 11.350 2.068 39.962 1.00 0.00 O ATOM 1000 CG2 THR A 63 9.669 1.149 41.297 1.00 0.00 C ATOM 0 H THR A 63 10.074 2.138 38.119 1.00 0.00 H new ATOM 0 HA THR A 63 8.294 3.256 40.254 1.00 0.00 H new ATOM 0 HB THR A 63 10.493 3.138 41.587 1.00 0.00 H new ATOM 0 HG1 THR A 63 12.020 1.622 40.521 1.00 0.00 H new ATOM 0 HG21 THR A 63 10.382 0.683 41.978 1.00 0.00 H new ATOM 0 HG22 THR A 63 8.740 1.354 41.829 1.00 0.00 H new ATOM 0 HG23 THR A 63 9.469 0.475 40.464 1.00 0.00 H new ATOM 1008 N ARG A 64 10.285 4.660 38.235 1.00 0.00 N ATOM 1009 CA ARG A 64 10.836 5.967 37.793 1.00 0.00 C ATOM 1010 C ARG A 64 10.294 6.355 36.421 1.00 0.00 C ATOM 1011 O ARG A 64 10.091 5.510 35.560 1.00 0.00 O ATOM 1012 CB ARG A 64 12.362 5.840 37.689 1.00 0.00 C ATOM 1013 CG ARG A 64 12.922 5.378 39.033 1.00 0.00 C ATOM 1014 CD ARG A 64 14.371 4.928 38.839 1.00 0.00 C ATOM 1015 NE ARG A 64 15.187 6.092 38.388 1.00 0.00 N ATOM 1016 CZ ARG A 64 15.780 6.049 37.226 1.00 0.00 C ATOM 1017 NH1 ARG A 64 17.024 6.435 37.136 1.00 0.00 N ATOM 1018 NH2 ARG A 64 15.111 5.624 36.190 1.00 0.00 N ATOM 0 H ARG A 64 10.302 3.921 37.532 1.00 0.00 H new ATOM 0 HA ARG A 64 10.547 6.731 38.515 1.00 0.00 H new ATOM 0 HB2 ARG A 64 12.627 5.128 36.907 1.00 0.00 H new ATOM 0 HB3 ARG A 64 12.800 6.798 37.409 1.00 0.00 H new ATOM 0 HG2 ARG A 64 12.873 6.189 39.760 1.00 0.00 H new ATOM 0 HG3 ARG A 64 12.323 4.558 39.429 1.00 0.00 H new ATOM 0 HD2 ARG A 64 14.769 4.529 39.772 1.00 0.00 H new ATOM 0 HD3 ARG A 64 14.420 4.126 38.102 1.00 0.00 H new ATOM 0 HE ARG A 64 15.281 6.915 38.983 1.00 0.00 H new ATOM 0 HH11 ARG A 64 17.517 6.764 37.966 1.00 0.00 H new ATOM 0 HH12 ARG A 64 17.503 6.408 36.236 1.00 0.00 H new ATOM 0 HH21 ARG A 64 14.139 5.332 36.295 1.00 0.00 H new ATOM 0 HH22 ARG A 64 15.559 5.584 35.275 1.00 0.00 H new ATOM 1032 N GLY A 65 10.072 7.625 36.244 1.00 0.00 N ATOM 1033 CA GLY A 65 9.544 8.104 34.937 1.00 0.00 C ATOM 1034 C GLY A 65 10.000 9.541 34.687 1.00 0.00 C ATOM 1035 O GLY A 65 11.029 9.965 35.180 1.00 0.00 O ATOM 0 H GLY A 65 10.232 8.350 36.943 1.00 0.00 H new ATOM 0 HA2 GLY A 65 9.896 7.457 34.134 1.00 0.00 H new ATOM 0 HA3 GLY A 65 8.455 8.053 34.934 1.00 0.00 H new ATOM 1039 N ARG A 66 9.241 10.265 33.919 1.00 0.00 N ATOM 1040 CA ARG A 66 9.643 11.674 33.646 1.00 0.00 C ATOM 1041 C ARG A 66 8.479 12.512 33.101 1.00 0.00 C ATOM 1042 O ARG A 66 7.620 12.008 32.404 1.00 0.00 O ATOM 1043 CB ARG A 66 10.773 11.655 32.603 1.00 0.00 C ATOM 1044 CG ARG A 66 10.358 10.771 31.425 1.00 0.00 C ATOM 1045 CD ARG A 66 11.595 10.445 30.584 1.00 0.00 C ATOM 1046 NE ARG A 66 12.254 11.719 30.179 1.00 0.00 N ATOM 1047 CZ ARG A 66 13.381 11.677 29.522 1.00 0.00 C ATOM 1048 NH1 ARG A 66 13.371 11.283 28.280 1.00 0.00 N ATOM 1049 NH2 ARG A 66 14.480 12.028 30.132 1.00 0.00 N ATOM 0 H ARG A 66 8.377 9.954 33.475 1.00 0.00 H new ATOM 0 HA ARG A 66 9.967 12.127 34.583 1.00 0.00 H new ATOM 0 HB2 ARG A 66 10.982 12.667 32.257 1.00 0.00 H new ATOM 0 HB3 ARG A 66 11.691 11.276 33.051 1.00 0.00 H new ATOM 0 HG2 ARG A 66 9.897 9.852 31.788 1.00 0.00 H new ATOM 0 HG3 ARG A 66 9.613 11.282 30.815 1.00 0.00 H new ATOM 0 HD2 ARG A 66 12.288 9.828 31.156 1.00 0.00 H new ATOM 0 HD3 ARG A 66 11.310 9.871 29.702 1.00 0.00 H new ATOM 0 HE ARG A 66 11.828 12.616 30.413 1.00 0.00 H new ATOM 0 HH11 ARG A 66 12.492 11.014 27.837 1.00 0.00 H new ATOM 0 HH12 ARG A 66 14.242 11.244 27.750 1.00 0.00 H new ATOM 0 HH21 ARG A 66 14.449 12.329 31.106 1.00 0.00 H new ATOM 0 HH22 ARG A 66 15.370 12.002 29.635 1.00 0.00 H new ATOM 1063 N ILE A 67 8.479 13.789 33.438 1.00 0.00 N ATOM 1064 CA ILE A 67 7.392 14.680 32.956 1.00 0.00 C ATOM 1065 C ILE A 67 7.813 15.364 31.673 1.00 0.00 C ATOM 1066 O ILE A 67 8.684 16.212 31.683 1.00 0.00 O ATOM 1067 CB ILE A 67 7.148 15.765 34.003 1.00 0.00 C ATOM 1068 CG1 ILE A 67 7.084 15.152 35.392 1.00 0.00 C ATOM 1069 CG2 ILE A 67 5.804 16.452 33.704 1.00 0.00 C ATOM 1070 CD1 ILE A 67 6.006 14.071 35.425 1.00 0.00 C ATOM 0 H ILE A 67 9.184 14.239 34.022 1.00 0.00 H new ATOM 0 HA ILE A 67 6.494 14.086 32.785 1.00 0.00 H new ATOM 0 HB ILE A 67 7.965 16.486 33.966 1.00 0.00 H new ATOM 0 HG12 ILE A 67 8.051 14.724 35.657 1.00 0.00 H new ATOM 0 HG13 ILE A 67 6.864 15.922 36.131 1.00 0.00 H new ATOM 0 HG21 ILE A 67 5.620 17.229 34.446 1.00 0.00 H new ATOM 0 HG22 ILE A 67 5.837 16.899 32.711 1.00 0.00 H new ATOM 0 HG23 ILE A 67 5.002 15.715 33.743 1.00 0.00 H new ATOM 0 HD11 ILE A 67 5.961 13.632 36.422 1.00 0.00 H new ATOM 0 HD12 ILE A 67 5.040 14.513 35.179 1.00 0.00 H new ATOM 0 HD13 ILE A 67 6.246 13.295 34.698 1.00 0.00 H new ATOM 1082 N THR A 68 7.192 14.985 30.598 1.00 0.00 N ATOM 1083 CA THR A 68 7.533 15.595 29.292 1.00 0.00 C ATOM 1084 C THR A 68 6.333 16.311 28.715 1.00 0.00 C ATOM 1085 O THR A 68 6.365 16.772 27.592 1.00 0.00 O ATOM 1086 CB THR A 68 7.949 14.485 28.336 1.00 0.00 C ATOM 1087 OG1 THR A 68 7.055 13.418 28.585 1.00 0.00 O ATOM 1088 CG2 THR A 68 9.332 13.932 28.712 1.00 0.00 C ATOM 0 H THR A 68 6.460 14.276 30.568 1.00 0.00 H new ATOM 0 HA THR A 68 8.341 16.313 29.430 1.00 0.00 H new ATOM 0 HB THR A 68 7.954 14.861 27.313 1.00 0.00 H new ATOM 0 HG1 THR A 68 6.135 13.718 28.429 1.00 0.00 H new ATOM 0 HG21 THR A 68 9.609 13.140 28.016 1.00 0.00 H new ATOM 0 HG22 THR A 68 10.070 14.733 28.663 1.00 0.00 H new ATOM 0 HG23 THR A 68 9.300 13.530 29.725 1.00 0.00 H new ATOM 1096 N TRP A 69 5.282 16.396 29.489 1.00 0.00 N ATOM 1097 CA TRP A 69 4.083 17.080 28.979 1.00 0.00 C ATOM 1098 C TRP A 69 3.092 17.367 30.097 1.00 0.00 C ATOM 1099 O TRP A 69 2.484 16.465 30.639 1.00 0.00 O ATOM 1100 CB TRP A 69 3.418 16.131 27.971 1.00 0.00 C ATOM 1101 CG TRP A 69 3.963 14.708 28.208 1.00 0.00 C ATOM 1102 CD1 TRP A 69 4.235 14.208 29.408 1.00 0.00 C ATOM 1103 CD2 TRP A 69 4.264 13.851 27.261 1.00 0.00 C ATOM 1104 NE1 TRP A 69 4.729 12.991 29.147 1.00 0.00 N ATOM 1105 CE2 TRP A 69 4.781 12.680 27.798 1.00 0.00 C ATOM 1106 CE3 TRP A 69 4.137 13.978 25.889 1.00 0.00 C ATOM 1107 CZ2 TRP A 69 5.168 11.650 26.965 1.00 0.00 C ATOM 1108 CZ3 TRP A 69 4.526 12.944 25.060 1.00 0.00 C ATOM 1109 CH2 TRP A 69 5.042 11.783 25.598 1.00 0.00 C ATOM 0 H TRP A 69 5.212 16.024 30.436 1.00 0.00 H new ATOM 0 HA TRP A 69 4.369 18.030 28.527 1.00 0.00 H new ATOM 0 HB2 TRP A 69 2.335 16.147 28.093 1.00 0.00 H new ATOM 0 HB3 TRP A 69 3.629 16.453 26.951 1.00 0.00 H new ATOM 0 HD1 TRP A 69 4.091 14.675 30.371 1.00 0.00 H new ATOM 0 HE1 TRP A 69 5.040 12.350 29.877 1.00 0.00 H new ATOM 0 HE3 TRP A 69 3.733 14.886 25.466 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 5.570 10.739 27.384 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 4.426 13.044 23.989 1.00 0.00 H new ATOM 0 HH2 TRP A 69 5.348 10.977 24.948 1.00 0.00 H new ATOM 1120 N ARG A 70 2.947 18.618 30.422 1.00 0.00 N ATOM 1121 CA ARG A 70 2.007 18.979 31.487 1.00 0.00 C ATOM 1122 C ARG A 70 0.570 18.909 30.976 1.00 0.00 C ATOM 1123 O ARG A 70 0.278 19.350 29.882 1.00 0.00 O ATOM 1124 CB ARG A 70 2.311 20.416 31.938 1.00 0.00 C ATOM 1125 CG ARG A 70 1.637 21.394 30.978 1.00 0.00 C ATOM 1126 CD ARG A 70 2.175 22.803 31.238 1.00 0.00 C ATOM 1127 NE ARG A 70 1.468 23.765 30.348 1.00 0.00 N ATOM 1128 CZ ARG A 70 2.095 24.266 29.317 1.00 0.00 C ATOM 1129 NH1 ARG A 70 3.335 24.649 29.458 1.00 0.00 N ATOM 1130 NH2 ARG A 70 1.459 24.368 28.182 1.00 0.00 N ATOM 0 H ARG A 70 3.443 19.398 29.991 1.00 0.00 H new ATOM 0 HA ARG A 70 2.117 18.283 32.318 1.00 0.00 H new ATOM 0 HB2 ARG A 70 1.949 20.576 32.954 1.00 0.00 H new ATOM 0 HB3 ARG A 70 3.388 20.586 31.953 1.00 0.00 H new ATOM 0 HG2 ARG A 70 1.831 21.102 29.946 1.00 0.00 H new ATOM 0 HG3 ARG A 70 0.556 21.373 31.117 1.00 0.00 H new ATOM 0 HD2 ARG A 70 2.025 23.076 32.282 1.00 0.00 H new ATOM 0 HD3 ARG A 70 3.248 22.836 31.051 1.00 0.00 H new ATOM 0 HE ARG A 70 0.502 24.031 30.542 1.00 0.00 H new ATOM 0 HH11 ARG A 70 3.798 24.555 30.362 1.00 0.00 H new ATOM 0 HH12 ARG A 70 3.841 25.042 28.664 1.00 0.00 H new ATOM 0 HH21 ARG A 70 0.489 24.059 28.111 1.00 0.00 H new ATOM 0 HH22 ARG A 70 1.931 24.757 27.366 1.00 0.00 H new ATOM 1144 N LYS A 71 -0.303 18.355 31.773 1.00 0.00 N ATOM 1145 CA LYS A 71 -1.720 18.251 31.338 1.00 0.00 C ATOM 1146 C LYS A 71 -2.255 19.610 30.896 1.00 0.00 C ATOM 1147 O LYS A 71 -1.885 20.632 31.438 1.00 0.00 O ATOM 1148 CB LYS A 71 -2.558 17.749 32.524 1.00 0.00 C ATOM 1149 CG LYS A 71 -3.417 16.568 32.063 1.00 0.00 C ATOM 1150 CD LYS A 71 -4.472 17.071 31.076 1.00 0.00 C ATOM 1151 CE LYS A 71 -5.769 16.284 31.279 1.00 0.00 C ATOM 1152 NZ LYS A 71 -6.340 16.556 32.628 1.00 0.00 N ATOM 0 H LYS A 71 -0.097 17.974 32.697 1.00 0.00 H new ATOM 0 HA LYS A 71 -1.783 17.562 30.496 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -1.907 17.444 33.343 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -3.192 18.550 32.903 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -2.792 15.810 31.591 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -3.898 16.096 32.920 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -4.651 18.135 31.228 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -4.116 16.951 30.053 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -6.491 16.558 30.510 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -5.575 15.217 31.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -7.378 16.503 32.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -5.987 15.849 33.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -6.055 17.506 32.941 1.00 0.00 H new