USER MOD reduce.3.24.130724 H: found=0, std=0, add=429, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 430 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 10 TYR OH : rot 37:sc= -0.551 USER MOD Set 1.2: A 32 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.00555) USER MOD Set 2.1: A 8 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 9 SER OG : rot 180:sc= -0.0566 USER MOD Single : A 12 SER OG : rot 180:sc= 0.0674 USER MOD Single : A 13 GLN : amide:sc= -0.624 K(o=-0.62,f=-6!) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 MET CE :methyl -177:sc= -8.72! (180deg=-8.8!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 76:sc= -0.235 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 140:sc= -1.73 USER MOD Single : A 40 LYS NZ :NH3+ 155:sc= -0.0479 (180deg=-1.2!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -1.44 K(o=-1.4,f=-5.9!) USER MOD Single : A 58 MET CE :methyl -155:sc= -0.568 (180deg=-1.47) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 60 N ASP A 5 0.658 -32.636 6.028 1.00 0.00 N ATOM 61 CA ASP A 5 0.295 -31.293 6.565 1.00 0.00 C ATOM 62 C ASP A 5 -1.091 -30.879 6.065 1.00 0.00 C ATOM 63 O ASP A 5 -1.260 -30.473 4.933 1.00 0.00 O ATOM 64 CB ASP A 5 1.366 -30.345 6.025 1.00 0.00 C ATOM 65 CG ASP A 5 2.750 -30.952 6.263 1.00 0.00 C ATOM 66 OD1 ASP A 5 3.264 -30.792 7.358 1.00 0.00 O ATOM 67 OD2 ASP A 5 3.273 -31.565 5.348 1.00 0.00 O ATOM 0 HA ASP A 5 0.255 -31.283 7.654 1.00 0.00 H new ATOM 0 HB2 ASP A 5 1.211 -30.173 4.960 1.00 0.00 H new ATOM 0 HB3 ASP A 5 1.292 -29.376 6.519 1.00 0.00 H new ATOM 72 N CYS A 6 -2.085 -30.978 6.905 1.00 0.00 N ATOM 73 CA CYS A 6 -3.462 -30.589 6.485 1.00 0.00 C ATOM 74 C CYS A 6 -4.224 -30.002 7.676 1.00 0.00 C ATOM 75 O CYS A 6 -3.826 -30.155 8.813 1.00 0.00 O ATOM 76 CB CYS A 6 -4.120 -31.890 6.020 1.00 0.00 C ATOM 77 SG CYS A 6 -3.284 -32.495 4.533 1.00 0.00 S ATOM 0 H CYS A 6 -2.003 -31.312 7.865 1.00 0.00 H new ATOM 0 HA CYS A 6 -3.457 -29.833 5.700 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -4.066 -32.639 6.810 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -5.177 -31.721 5.812 1.00 0.00 H new ATOM 82 N CYS A 7 -5.314 -29.329 7.427 1.00 0.00 N ATOM 83 CA CYS A 7 -6.091 -28.738 8.552 1.00 0.00 C ATOM 84 C CYS A 7 -7.589 -28.776 8.242 1.00 0.00 C ATOM 85 O CYS A 7 -8.004 -28.655 7.106 1.00 0.00 O ATOM 86 CB CYS A 7 -5.608 -27.292 8.649 1.00 0.00 C ATOM 87 SG CYS A 7 -4.896 -27.004 10.289 1.00 0.00 S ATOM 0 H CYS A 7 -5.699 -29.163 6.497 1.00 0.00 H new ATOM 0 HA CYS A 7 -5.944 -29.285 9.483 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -4.864 -27.093 7.878 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -6.438 -26.607 8.476 1.00 0.00 H new ATOM 92 N THR A 8 -8.402 -28.938 9.248 1.00 0.00 N ATOM 93 CA THR A 8 -9.876 -28.978 9.021 1.00 0.00 C ATOM 94 C THR A 8 -10.493 -27.625 9.378 1.00 0.00 C ATOM 95 O THR A 8 -11.586 -27.297 8.959 1.00 0.00 O ATOM 96 CB THR A 8 -10.392 -30.070 9.958 1.00 0.00 C ATOM 97 OG1 THR A 8 -10.361 -29.594 11.297 1.00 0.00 O ATOM 98 CG2 THR A 8 -9.507 -31.311 9.836 1.00 0.00 C ATOM 0 H THR A 8 -8.110 -29.045 10.220 1.00 0.00 H new ATOM 0 HA THR A 8 -10.133 -29.183 7.982 1.00 0.00 H new ATOM 0 HB THR A 8 -11.415 -30.329 9.686 1.00 0.00 H new ATOM 0 HG1 THR A 8 -10.693 -30.292 11.900 1.00 0.00 H new ATOM 0 HG21 THR A 8 -9.876 -32.088 10.505 1.00 0.00 H new ATOM 0 HG22 THR A 8 -9.530 -31.675 8.809 1.00 0.00 H new ATOM 0 HG23 THR A 8 -8.483 -31.056 10.107 1.00 0.00 H new ATOM 106 N SER A 9 -9.797 -26.836 10.150 1.00 0.00 N ATOM 107 CA SER A 9 -10.333 -25.501 10.538 1.00 0.00 C ATOM 108 C SER A 9 -9.218 -24.453 10.474 1.00 0.00 C ATOM 109 O SER A 9 -8.115 -24.679 10.928 1.00 0.00 O ATOM 110 CB SER A 9 -10.826 -25.675 11.975 1.00 0.00 C ATOM 111 OG SER A 9 -11.484 -26.927 12.101 1.00 0.00 O ATOM 0 H SER A 9 -8.877 -27.060 10.530 1.00 0.00 H new ATOM 0 HA SER A 9 -11.129 -25.162 9.875 1.00 0.00 H new ATOM 0 HB2 SER A 9 -9.986 -25.622 12.668 1.00 0.00 H new ATOM 0 HB3 SER A 9 -11.507 -24.866 12.238 1.00 0.00 H new ATOM 0 HG SER A 9 -11.799 -27.040 13.022 1.00 0.00 H new ATOM 117 N TYR A 10 -9.496 -23.309 9.912 1.00 0.00 N ATOM 118 CA TYR A 10 -8.448 -22.253 9.819 1.00 0.00 C ATOM 119 C TYR A 10 -8.490 -21.348 11.053 1.00 0.00 C ATOM 120 O TYR A 10 -9.149 -21.643 12.030 1.00 0.00 O ATOM 121 CB TYR A 10 -8.790 -21.467 8.551 1.00 0.00 C ATOM 122 CG TYR A 10 -8.623 -22.362 7.341 1.00 0.00 C ATOM 123 CD1 TYR A 10 -7.592 -23.310 7.304 1.00 0.00 C ATOM 124 CD2 TYR A 10 -9.501 -22.244 6.256 1.00 0.00 C ATOM 125 CE1 TYR A 10 -7.440 -24.140 6.187 1.00 0.00 C ATOM 126 CE2 TYR A 10 -9.349 -23.074 5.138 1.00 0.00 C ATOM 127 CZ TYR A 10 -8.319 -24.022 5.103 1.00 0.00 C ATOM 128 OH TYR A 10 -8.169 -24.839 4.002 1.00 0.00 O ATOM 0 H TYR A 10 -10.401 -23.060 9.514 1.00 0.00 H new ATOM 0 HA TYR A 10 -7.442 -22.671 9.777 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -9.814 -21.098 8.605 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -8.141 -20.596 8.464 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -6.913 -23.401 8.139 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -10.295 -21.513 6.281 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -6.645 -24.871 6.161 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -10.027 -22.983 4.302 1.00 0.00 H new ATOM 0 HH TYR A 10 -7.889 -25.732 4.293 1.00 0.00 H new ATOM 138 N ILE A 11 -7.781 -20.252 11.020 1.00 0.00 N ATOM 139 CA ILE A 11 -7.770 -19.335 12.196 1.00 0.00 C ATOM 140 C ILE A 11 -9.093 -18.570 12.288 1.00 0.00 C ATOM 141 O ILE A 11 -9.817 -18.439 11.320 1.00 0.00 O ATOM 142 CB ILE A 11 -6.594 -18.372 11.962 1.00 0.00 C ATOM 143 CG1 ILE A 11 -7.002 -17.252 10.993 1.00 0.00 C ATOM 144 CG2 ILE A 11 -5.397 -19.137 11.387 1.00 0.00 C ATOM 145 CD1 ILE A 11 -7.182 -17.818 9.581 1.00 0.00 C ATOM 0 H ILE A 11 -7.209 -19.952 10.230 1.00 0.00 H new ATOM 0 HA ILE A 11 -7.656 -19.879 13.134 1.00 0.00 H new ATOM 0 HB ILE A 11 -6.315 -17.928 12.918 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -7.930 -16.790 11.329 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -6.241 -16.471 10.986 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -4.569 -18.447 11.224 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -5.091 -19.913 12.088 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -5.679 -19.595 10.439 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -7.471 -17.016 8.902 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -6.244 -18.259 9.243 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -7.959 -18.582 9.592 1.00 0.00 H new ATOM 157 N SER A 12 -9.413 -18.062 13.447 1.00 0.00 N ATOM 158 CA SER A 12 -10.683 -17.302 13.606 1.00 0.00 C ATOM 159 C SER A 12 -10.394 -15.799 13.643 1.00 0.00 C ATOM 160 O SER A 12 -11.286 -14.988 13.797 1.00 0.00 O ATOM 161 CB SER A 12 -11.261 -17.769 14.943 1.00 0.00 C ATOM 162 OG SER A 12 -10.255 -18.435 15.694 1.00 0.00 O ATOM 0 H SER A 12 -8.847 -18.141 14.292 1.00 0.00 H new ATOM 0 HA SER A 12 -11.375 -17.475 12.782 1.00 0.00 H new ATOM 0 HB2 SER A 12 -11.641 -16.915 15.504 1.00 0.00 H new ATOM 0 HB3 SER A 12 -12.104 -18.439 14.772 1.00 0.00 H new ATOM 0 HG SER A 12 -10.628 -18.731 16.550 1.00 0.00 H new ATOM 168 N GLN A 13 -9.151 -15.423 13.501 1.00 0.00 N ATOM 169 CA GLN A 13 -8.803 -13.974 13.528 1.00 0.00 C ATOM 170 C GLN A 13 -7.705 -13.676 12.504 1.00 0.00 C ATOM 171 O GLN A 13 -7.401 -14.484 11.650 1.00 0.00 O ATOM 172 CB GLN A 13 -8.298 -13.713 14.947 1.00 0.00 C ATOM 173 CG GLN A 13 -7.108 -14.630 15.241 1.00 0.00 C ATOM 174 CD GLN A 13 -5.878 -13.779 15.564 1.00 0.00 C ATOM 175 OE1 GLN A 13 -5.709 -12.705 15.021 1.00 0.00 O ATOM 176 NE2 GLN A 13 -5.007 -14.216 16.431 1.00 0.00 N ATOM 0 H GLN A 13 -8.363 -16.056 13.368 1.00 0.00 H new ATOM 0 HA GLN A 13 -9.653 -13.340 13.276 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -8.002 -12.669 15.053 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -9.096 -13.893 15.667 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -7.340 -15.287 16.079 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -6.906 -15.269 14.381 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -5.149 -15.117 16.887 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -4.184 -13.656 16.653 1.00 0.00 H new ATOM 185 N SER A 14 -7.115 -12.517 12.582 1.00 0.00 N ATOM 186 CA SER A 14 -6.040 -12.156 11.613 1.00 0.00 C ATOM 187 C SER A 14 -4.857 -13.123 11.733 1.00 0.00 C ATOM 188 O SER A 14 -4.486 -13.540 12.812 1.00 0.00 O ATOM 189 CB SER A 14 -5.617 -10.740 12.002 1.00 0.00 C ATOM 190 OG SER A 14 -5.035 -10.095 10.879 1.00 0.00 O ATOM 0 H SER A 14 -7.330 -11.801 13.276 1.00 0.00 H new ATOM 0 HA SER A 14 -6.385 -12.212 10.580 1.00 0.00 H new ATOM 0 HB2 SER A 14 -6.480 -10.174 12.353 1.00 0.00 H new ATOM 0 HB3 SER A 14 -4.903 -10.775 12.825 1.00 0.00 H new ATOM 0 HG SER A 14 -4.765 -9.186 11.127 1.00 0.00 H new ATOM 196 N ILE A 15 -4.260 -13.473 10.626 1.00 0.00 N ATOM 197 CA ILE A 15 -3.094 -14.405 10.655 1.00 0.00 C ATOM 198 C ILE A 15 -1.865 -13.682 11.219 1.00 0.00 C ATOM 199 O ILE A 15 -1.670 -12.511 10.964 1.00 0.00 O ATOM 200 CB ILE A 15 -2.875 -14.782 9.181 1.00 0.00 C ATOM 201 CG1 ILE A 15 -3.892 -15.847 8.773 1.00 0.00 C ATOM 202 CG2 ILE A 15 -1.461 -15.335 8.967 1.00 0.00 C ATOM 203 CD1 ILE A 15 -3.624 -17.132 9.559 1.00 0.00 C ATOM 0 H ILE A 15 -4.531 -13.152 9.697 1.00 0.00 H new ATOM 0 HA ILE A 15 -3.262 -15.280 11.283 1.00 0.00 H new ATOM 0 HB ILE A 15 -3.001 -13.887 8.572 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -4.904 -15.493 8.968 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.823 -16.041 7.703 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -1.327 -15.596 7.917 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -0.728 -14.579 9.250 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -1.321 -16.224 9.582 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -4.348 -17.893 9.270 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -2.617 -17.488 9.342 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -3.715 -16.931 10.626 1.00 0.00 H new ATOM 215 N PRO A 16 -1.073 -14.414 11.960 1.00 0.00 N ATOM 216 CA PRO A 16 0.165 -13.851 12.553 1.00 0.00 C ATOM 217 C PRO A 16 1.278 -13.844 11.499 1.00 0.00 C ATOM 218 O PRO A 16 2.297 -14.483 11.657 1.00 0.00 O ATOM 219 CB PRO A 16 0.500 -14.830 13.670 1.00 0.00 C ATOM 220 CG PRO A 16 -0.123 -16.130 13.258 1.00 0.00 C ATOM 221 CD PRO A 16 -1.265 -15.822 12.319 1.00 0.00 C ATOM 0 HA PRO A 16 0.053 -12.827 12.909 1.00 0.00 H new ATOM 0 HB2 PRO A 16 1.578 -14.932 13.793 1.00 0.00 H new ATOM 0 HB3 PRO A 16 0.101 -14.488 14.625 1.00 0.00 H new ATOM 0 HG2 PRO A 16 0.613 -16.767 12.767 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -0.483 -16.674 14.131 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -1.239 -16.464 11.438 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -2.230 -15.981 12.801 1.00 0.00 H new ATOM 229 N CYS A 17 1.077 -13.140 10.421 1.00 0.00 N ATOM 230 CA CYS A 17 2.102 -13.098 9.334 1.00 0.00 C ATOM 231 C CYS A 17 3.392 -12.439 9.831 1.00 0.00 C ATOM 232 O CYS A 17 4.464 -12.686 9.315 1.00 0.00 O ATOM 233 CB CYS A 17 1.463 -12.267 8.213 1.00 0.00 C ATOM 234 SG CYS A 17 -0.243 -12.822 7.936 1.00 0.00 S ATOM 0 H CYS A 17 0.240 -12.586 10.242 1.00 0.00 H new ATOM 0 HA CYS A 17 2.377 -14.096 8.994 1.00 0.00 H new ATOM 0 HB2 CYS A 17 1.473 -11.210 8.480 1.00 0.00 H new ATOM 0 HB3 CYS A 17 2.043 -12.370 7.296 1.00 0.00 H new ATOM 239 N SER A 18 3.300 -11.601 10.828 1.00 0.00 N ATOM 240 CA SER A 18 4.523 -10.923 11.352 1.00 0.00 C ATOM 241 C SER A 18 5.432 -11.912 12.092 1.00 0.00 C ATOM 242 O SER A 18 6.448 -11.535 12.642 1.00 0.00 O ATOM 243 CB SER A 18 4.001 -9.857 12.315 1.00 0.00 C ATOM 244 OG SER A 18 4.301 -8.568 11.802 1.00 0.00 O ATOM 0 H SER A 18 2.431 -11.356 11.303 1.00 0.00 H new ATOM 0 HA SER A 18 5.123 -10.499 10.547 1.00 0.00 H new ATOM 0 HB2 SER A 18 2.924 -9.966 12.446 1.00 0.00 H new ATOM 0 HB3 SER A 18 4.457 -9.984 13.297 1.00 0.00 H new ATOM 0 HG SER A 18 3.965 -7.884 12.418 1.00 0.00 H new ATOM 250 N LEU A 19 5.081 -13.170 12.121 1.00 0.00 N ATOM 251 CA LEU A 19 5.935 -14.157 12.838 1.00 0.00 C ATOM 252 C LEU A 19 6.131 -15.416 11.989 1.00 0.00 C ATOM 253 O LEU A 19 6.656 -16.409 12.452 1.00 0.00 O ATOM 254 CB LEU A 19 5.154 -14.492 14.111 1.00 0.00 C ATOM 255 CG LEU A 19 5.912 -13.988 15.342 1.00 0.00 C ATOM 256 CD1 LEU A 19 6.436 -12.573 15.091 1.00 0.00 C ATOM 257 CD2 LEU A 19 4.962 -13.969 16.541 1.00 0.00 C ATOM 0 H LEU A 19 4.244 -13.554 11.681 1.00 0.00 H new ATOM 0 HA LEU A 19 6.929 -13.763 13.050 1.00 0.00 H new ATOM 0 HB2 LEU A 19 4.165 -14.035 14.071 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.005 -15.569 14.182 1.00 0.00 H new ATOM 0 HG LEU A 19 6.754 -14.650 15.543 1.00 0.00 H new ATOM 0 HD11 LEU A 19 6.974 -12.223 15.972 1.00 0.00 H new ATOM 0 HD12 LEU A 19 7.110 -12.581 14.234 1.00 0.00 H new ATOM 0 HD13 LEU A 19 5.599 -11.906 14.888 1.00 0.00 H new ATOM 0 HD21 LEU A 19 5.495 -13.611 17.422 1.00 0.00 H new ATOM 0 HD22 LEU A 19 4.123 -13.306 16.330 1.00 0.00 H new ATOM 0 HD23 LEU A 19 4.590 -14.977 16.727 1.00 0.00 H new ATOM 269 N MET A 20 5.714 -15.390 10.750 1.00 0.00 N ATOM 270 CA MET A 20 5.887 -16.599 9.894 1.00 0.00 C ATOM 271 C MET A 20 7.157 -16.485 9.051 1.00 0.00 C ATOM 272 O MET A 20 7.390 -15.497 8.383 1.00 0.00 O ATOM 273 CB MET A 20 4.663 -16.664 8.979 1.00 0.00 C ATOM 274 CG MET A 20 3.397 -16.234 9.729 1.00 0.00 C ATOM 275 SD MET A 20 2.788 -17.602 10.747 1.00 0.00 S ATOM 276 CE MET A 20 1.019 -17.317 10.471 1.00 0.00 C ATOM 0 H MET A 20 5.266 -14.593 10.298 1.00 0.00 H new ATOM 0 HA MET A 20 5.978 -17.496 10.507 1.00 0.00 H new ATOM 0 HB2 MET A 20 4.815 -16.018 8.114 1.00 0.00 H new ATOM 0 HB3 MET A 20 4.540 -17.679 8.601 1.00 0.00 H new ATOM 0 HG2 MET A 20 3.612 -15.370 10.357 1.00 0.00 H new ATOM 0 HG3 MET A 20 2.629 -15.928 9.018 1.00 0.00 H new ATOM 0 HE1 MET A 20 0.440 -18.029 11.059 1.00 0.00 H new ATOM 0 HE2 MET A 20 0.762 -16.302 10.774 1.00 0.00 H new ATOM 0 HE3 MET A 20 0.790 -17.449 9.414 1.00 0.00 H new ATOM 286 N LYS A 21 7.972 -17.498 9.072 1.00 0.00 N ATOM 287 CA LYS A 21 9.225 -17.473 8.270 1.00 0.00 C ATOM 288 C LYS A 21 9.034 -18.240 6.954 1.00 0.00 C ATOM 289 O LYS A 21 9.756 -18.031 6.000 1.00 0.00 O ATOM 290 CB LYS A 21 10.272 -18.162 9.146 1.00 0.00 C ATOM 291 CG LYS A 21 9.916 -19.642 9.296 1.00 0.00 C ATOM 292 CD LYS A 21 10.993 -20.496 8.622 1.00 0.00 C ATOM 293 CE LYS A 21 11.111 -21.835 9.353 1.00 0.00 C ATOM 294 NZ LYS A 21 12.519 -21.885 9.835 1.00 0.00 N ATOM 0 H LYS A 21 7.824 -18.349 9.614 1.00 0.00 H new ATOM 0 HA LYS A 21 9.521 -16.458 8.003 1.00 0.00 H new ATOM 0 HB2 LYS A 21 11.261 -18.058 8.699 1.00 0.00 H new ATOM 0 HB3 LYS A 21 10.313 -17.686 10.126 1.00 0.00 H new ATOM 0 HG2 LYS A 21 9.837 -19.903 10.351 1.00 0.00 H new ATOM 0 HG3 LYS A 21 8.944 -19.841 8.845 1.00 0.00 H new ATOM 0 HD2 LYS A 21 10.739 -20.662 7.575 1.00 0.00 H new ATOM 0 HD3 LYS A 21 11.950 -19.974 8.639 1.00 0.00 H new ATOM 0 HE2 LYS A 21 10.407 -21.896 10.183 1.00 0.00 H new ATOM 0 HE3 LYS A 21 10.891 -22.669 8.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 12.679 -22.776 10.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 13.166 -21.832 9.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 12.697 -21.082 10.472 1.00 0.00 H new ATOM 308 N SER A 22 8.076 -19.131 6.891 1.00 0.00 N ATOM 309 CA SER A 22 7.871 -19.899 5.624 1.00 0.00 C ATOM 310 C SER A 22 6.489 -20.564 5.595 1.00 0.00 C ATOM 311 O SER A 22 6.176 -21.409 6.410 1.00 0.00 O ATOM 312 CB SER A 22 8.972 -20.959 5.628 1.00 0.00 C ATOM 313 OG SER A 22 8.971 -21.649 4.387 1.00 0.00 O ATOM 0 H SER A 22 7.435 -19.358 7.651 1.00 0.00 H new ATOM 0 HA SER A 22 7.917 -19.252 4.748 1.00 0.00 H new ATOM 0 HB2 SER A 22 9.942 -20.490 5.795 1.00 0.00 H new ATOM 0 HB3 SER A 22 8.812 -21.661 6.446 1.00 0.00 H new ATOM 0 HG SER A 22 9.678 -22.327 4.389 1.00 0.00 H new ATOM 319 N TYR A 23 5.666 -20.192 4.649 1.00 0.00 N ATOM 320 CA TYR A 23 4.305 -20.801 4.544 1.00 0.00 C ATOM 321 C TYR A 23 4.317 -21.943 3.520 1.00 0.00 C ATOM 322 O TYR A 23 5.169 -21.996 2.654 1.00 0.00 O ATOM 323 CB TYR A 23 3.407 -19.662 4.063 1.00 0.00 C ATOM 324 CG TYR A 23 3.720 -19.358 2.616 1.00 0.00 C ATOM 325 CD1 TYR A 23 3.195 -20.167 1.602 1.00 0.00 C ATOM 326 CD2 TYR A 23 4.539 -18.271 2.290 1.00 0.00 C ATOM 327 CE1 TYR A 23 3.487 -19.889 0.261 1.00 0.00 C ATOM 328 CE2 TYR A 23 4.833 -17.993 0.948 1.00 0.00 C ATOM 329 CZ TYR A 23 4.306 -18.802 -0.066 1.00 0.00 C ATOM 330 OH TYR A 23 4.594 -18.528 -1.388 1.00 0.00 O ATOM 0 H TYR A 23 5.879 -19.489 3.941 1.00 0.00 H new ATOM 0 HA TYR A 23 3.963 -21.224 5.488 1.00 0.00 H new ATOM 0 HB2 TYR A 23 2.358 -19.940 4.170 1.00 0.00 H new ATOM 0 HB3 TYR A 23 3.566 -18.775 4.676 1.00 0.00 H new ATOM 0 HD1 TYR A 23 2.564 -21.007 1.854 1.00 0.00 H new ATOM 0 HD2 TYR A 23 4.944 -17.646 3.072 1.00 0.00 H new ATOM 0 HE1 TYR A 23 3.080 -20.513 -0.521 1.00 0.00 H new ATOM 0 HE2 TYR A 23 5.466 -17.155 0.696 1.00 0.00 H new ATOM 0 HH TYR A 23 5.174 -17.740 -1.440 1.00 0.00 H new ATOM 340 N PHE A 24 3.379 -22.853 3.597 1.00 0.00 N ATOM 341 CA PHE A 24 3.354 -23.970 2.608 1.00 0.00 C ATOM 342 C PHE A 24 1.919 -24.443 2.370 1.00 0.00 C ATOM 343 O PHE A 24 1.069 -24.338 3.232 1.00 0.00 O ATOM 344 CB PHE A 24 4.201 -25.085 3.225 1.00 0.00 C ATOM 345 CG PHE A 24 3.428 -25.784 4.322 1.00 0.00 C ATOM 346 CD1 PHE A 24 2.449 -26.736 4.001 1.00 0.00 C ATOM 347 CD2 PHE A 24 3.701 -25.486 5.663 1.00 0.00 C ATOM 348 CE1 PHE A 24 1.745 -27.385 5.022 1.00 0.00 C ATOM 349 CE2 PHE A 24 2.997 -26.138 6.682 1.00 0.00 C ATOM 350 CZ PHE A 24 2.020 -27.087 6.362 1.00 0.00 C ATOM 0 H PHE A 24 2.636 -22.870 4.296 1.00 0.00 H new ATOM 0 HA PHE A 24 3.746 -23.662 1.639 1.00 0.00 H new ATOM 0 HB2 PHE A 24 4.485 -25.803 2.456 1.00 0.00 H new ATOM 0 HB3 PHE A 24 5.124 -24.669 3.629 1.00 0.00 H new ATOM 0 HD1 PHE A 24 2.239 -26.968 2.967 1.00 0.00 H new ATOM 0 HD2 PHE A 24 4.455 -24.753 5.911 1.00 0.00 H new ATOM 0 HE1 PHE A 24 0.989 -28.116 4.776 1.00 0.00 H new ATOM 0 HE2 PHE A 24 3.208 -25.908 7.716 1.00 0.00 H new ATOM 0 HZ PHE A 24 1.478 -27.590 7.149 1.00 0.00 H new ATOM 360 N GLU A 25 1.647 -24.973 1.210 1.00 0.00 N ATOM 361 CA GLU A 25 0.271 -25.464 0.920 1.00 0.00 C ATOM 362 C GLU A 25 0.162 -26.940 1.299 1.00 0.00 C ATOM 363 O GLU A 25 1.127 -27.676 1.245 1.00 0.00 O ATOM 364 CB GLU A 25 0.092 -25.278 -0.588 1.00 0.00 C ATOM 365 CG GLU A 25 0.997 -26.262 -1.332 1.00 0.00 C ATOM 366 CD GLU A 25 0.144 -27.375 -1.944 1.00 0.00 C ATOM 367 OE1 GLU A 25 -0.974 -27.089 -2.340 1.00 0.00 O ATOM 368 OE2 GLU A 25 0.625 -28.495 -2.008 1.00 0.00 O ATOM 0 H GLU A 25 2.318 -25.087 0.450 1.00 0.00 H new ATOM 0 HA GLU A 25 -0.493 -24.929 1.484 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -0.949 -25.444 -0.865 1.00 0.00 H new ATOM 0 HB3 GLU A 25 0.338 -24.255 -0.871 1.00 0.00 H new ATOM 0 HG2 GLU A 25 1.552 -25.743 -2.113 1.00 0.00 H new ATOM 0 HG3 GLU A 25 1.731 -26.686 -0.647 1.00 0.00 H new ATOM 375 N THR A 26 -1.001 -27.381 1.687 1.00 0.00 N ATOM 376 CA THR A 26 -1.155 -28.811 2.073 1.00 0.00 C ATOM 377 C THR A 26 -1.138 -29.702 0.827 1.00 0.00 C ATOM 378 O THR A 26 -1.013 -29.229 -0.285 1.00 0.00 O ATOM 379 CB THR A 26 -2.513 -28.889 2.773 1.00 0.00 C ATOM 380 OG1 THR A 26 -3.535 -28.487 1.870 1.00 0.00 O ATOM 381 CG2 THR A 26 -2.514 -27.963 3.991 1.00 0.00 C ATOM 0 H THR A 26 -1.848 -26.817 1.754 1.00 0.00 H new ATOM 0 HA THR A 26 -0.345 -29.154 2.717 1.00 0.00 H new ATOM 0 HB THR A 26 -2.697 -29.914 3.097 1.00 0.00 H new ATOM 0 HG1 THR A 26 -3.708 -29.208 1.229 1.00 0.00 H new ATOM 0 HG21 THR A 26 -3.482 -28.019 4.490 1.00 0.00 H new ATOM 0 HG22 THR A 26 -1.731 -28.272 4.683 1.00 0.00 H new ATOM 0 HG23 THR A 26 -2.330 -26.938 3.669 1.00 0.00 H new ATOM 389 N SER A 27 -1.260 -30.989 1.006 1.00 0.00 N ATOM 390 CA SER A 27 -1.250 -31.911 -0.166 1.00 0.00 C ATOM 391 C SER A 27 -2.667 -32.077 -0.723 1.00 0.00 C ATOM 392 O SER A 27 -3.629 -32.148 0.015 1.00 0.00 O ATOM 393 CB SER A 27 -0.730 -33.240 0.384 1.00 0.00 C ATOM 394 OG SER A 27 0.466 -33.014 1.114 1.00 0.00 O ATOM 0 H SER A 27 -1.366 -31.442 1.913 1.00 0.00 H new ATOM 0 HA SER A 27 -0.632 -31.536 -0.982 1.00 0.00 H new ATOM 0 HB2 SER A 27 -1.481 -33.698 1.028 1.00 0.00 H new ATOM 0 HB3 SER A 27 -0.544 -33.936 -0.434 1.00 0.00 H new ATOM 0 HG SER A 27 0.799 -33.865 1.468 1.00 0.00 H new ATOM 400 N SER A 28 -2.802 -32.137 -2.020 1.00 0.00 N ATOM 401 CA SER A 28 -4.158 -32.297 -2.621 1.00 0.00 C ATOM 402 C SER A 28 -4.729 -33.674 -2.279 1.00 0.00 C ATOM 403 O SER A 28 -5.885 -33.958 -2.521 1.00 0.00 O ATOM 404 CB SER A 28 -3.941 -32.163 -4.129 1.00 0.00 C ATOM 405 OG SER A 28 -3.451 -30.863 -4.423 1.00 0.00 O ATOM 0 H SER A 28 -2.034 -32.082 -2.689 1.00 0.00 H new ATOM 0 HA SER A 28 -4.867 -31.559 -2.245 1.00 0.00 H new ATOM 0 HB2 SER A 28 -3.233 -32.917 -4.474 1.00 0.00 H new ATOM 0 HB3 SER A 28 -4.877 -32.339 -4.659 1.00 0.00 H new ATOM 0 HG SER A 28 -3.310 -30.777 -5.389 1.00 0.00 H new ATOM 411 N GLU A 29 -3.924 -34.529 -1.717 1.00 0.00 N ATOM 412 CA GLU A 29 -4.410 -35.891 -1.354 1.00 0.00 C ATOM 413 C GLU A 29 -5.306 -35.821 -0.116 1.00 0.00 C ATOM 414 O GLU A 29 -6.089 -36.713 0.147 1.00 0.00 O ATOM 415 CB GLU A 29 -3.143 -36.693 -1.055 1.00 0.00 C ATOM 416 CG GLU A 29 -3.397 -38.174 -1.341 1.00 0.00 C ATOM 417 CD GLU A 29 -2.059 -38.897 -1.508 1.00 0.00 C ATOM 418 OE1 GLU A 29 -1.146 -38.593 -0.759 1.00 0.00 O ATOM 419 OE2 GLU A 29 -1.971 -39.742 -2.383 1.00 0.00 O ATOM 0 H GLU A 29 -2.946 -34.344 -1.492 1.00 0.00 H new ATOM 0 HA GLU A 29 -5.003 -36.344 -2.148 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -2.317 -36.330 -1.667 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -2.851 -36.558 -0.013 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -3.965 -38.621 -0.525 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -3.997 -38.283 -2.244 1.00 0.00 H new ATOM 426 N CYS A 30 -5.198 -34.770 0.650 1.00 0.00 N ATOM 427 CA CYS A 30 -6.040 -34.645 1.872 1.00 0.00 C ATOM 428 C CYS A 30 -7.493 -34.350 1.490 1.00 0.00 C ATOM 429 O CYS A 30 -7.766 -33.731 0.481 1.00 0.00 O ATOM 430 CB CYS A 30 -5.436 -33.471 2.641 1.00 0.00 C ATOM 431 SG CYS A 30 -4.378 -34.097 3.970 1.00 0.00 S ATOM 0 H CYS A 30 -4.561 -33.991 0.481 1.00 0.00 H new ATOM 0 HA CYS A 30 -6.052 -35.560 2.464 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -4.856 -32.841 1.967 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -6.229 -32.848 3.056 1.00 0.00 H new ATOM 436 N SER A 31 -8.427 -34.790 2.289 1.00 0.00 N ATOM 437 CA SER A 31 -9.863 -34.537 1.971 1.00 0.00 C ATOM 438 C SER A 31 -10.148 -33.034 1.938 1.00 0.00 C ATOM 439 O SER A 31 -11.190 -32.598 1.491 1.00 0.00 O ATOM 440 CB SER A 31 -10.645 -35.210 3.100 1.00 0.00 C ATOM 441 OG SER A 31 -11.999 -35.373 2.708 1.00 0.00 O ATOM 0 H SER A 31 -8.259 -35.314 3.148 1.00 0.00 H new ATOM 0 HA SER A 31 -10.141 -34.929 0.993 1.00 0.00 H new ATOM 0 HB2 SER A 31 -10.204 -36.179 3.334 1.00 0.00 H new ATOM 0 HB3 SER A 31 -10.588 -34.606 4.006 1.00 0.00 H new ATOM 0 HG SER A 31 -12.499 -35.806 3.431 1.00 0.00 H new ATOM 447 N LYS A 32 -9.229 -32.242 2.407 1.00 0.00 N ATOM 448 CA LYS A 32 -9.440 -30.765 2.403 1.00 0.00 C ATOM 449 C LYS A 32 -8.093 -30.038 2.338 1.00 0.00 C ATOM 450 O LYS A 32 -7.220 -30.278 3.149 1.00 0.00 O ATOM 451 CB LYS A 32 -10.151 -30.463 3.722 1.00 0.00 C ATOM 452 CG LYS A 32 -11.111 -29.287 3.528 1.00 0.00 C ATOM 453 CD LYS A 32 -11.792 -28.958 4.858 1.00 0.00 C ATOM 454 CE LYS A 32 -10.977 -27.896 5.597 1.00 0.00 C ATOM 455 NZ LYS A 32 -11.443 -26.597 5.033 1.00 0.00 N ATOM 0 H LYS A 32 -8.338 -32.551 2.795 1.00 0.00 H new ATOM 0 HA LYS A 32 -10.021 -30.433 1.542 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -10.700 -31.342 4.061 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -9.420 -30.226 4.495 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -10.567 -28.417 3.161 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -11.860 -29.535 2.776 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -12.805 -28.597 4.681 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -11.876 -29.857 5.468 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -11.148 -27.944 6.673 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -9.908 -28.036 5.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -10.746 -25.855 5.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -11.550 -26.684 4.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -12.359 -26.344 5.455 1.00 0.00 H new ATOM 469 N PRO A 33 -7.969 -29.169 1.371 1.00 0.00 N ATOM 470 CA PRO A 33 -6.714 -28.396 1.198 1.00 0.00 C ATOM 471 C PRO A 33 -6.581 -27.341 2.301 1.00 0.00 C ATOM 472 O PRO A 33 -7.326 -27.336 3.260 1.00 0.00 O ATOM 473 CB PRO A 33 -6.884 -27.737 -0.168 1.00 0.00 C ATOM 474 CG PRO A 33 -8.363 -27.659 -0.377 1.00 0.00 C ATOM 475 CD PRO A 33 -8.973 -28.826 0.357 1.00 0.00 C ATOM 0 HA PRO A 33 -5.818 -29.013 1.258 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -6.430 -26.746 -0.188 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -6.405 -28.323 -0.952 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -8.757 -26.716 0.002 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -8.605 -27.702 -1.439 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -9.926 -28.557 0.813 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -9.166 -29.663 -0.314 1.00 0.00 H new ATOM 483 N GLY A 34 -5.637 -26.449 2.173 1.00 0.00 N ATOM 484 CA GLY A 34 -5.461 -25.398 3.215 1.00 0.00 C ATOM 485 C GLY A 34 -4.009 -24.913 3.212 1.00 0.00 C ATOM 486 O GLY A 34 -3.097 -25.656 2.914 1.00 0.00 O ATOM 0 H GLY A 34 -4.981 -26.403 1.393 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -6.135 -24.563 3.022 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -5.720 -25.796 4.196 1.00 0.00 H new ATOM 490 N VAL A 35 -3.791 -23.672 3.550 1.00 0.00 N ATOM 491 CA VAL A 35 -2.400 -23.135 3.576 1.00 0.00 C ATOM 492 C VAL A 35 -1.937 -22.990 5.025 1.00 0.00 C ATOM 493 O VAL A 35 -2.541 -22.286 5.803 1.00 0.00 O ATOM 494 CB VAL A 35 -2.494 -21.765 2.903 1.00 0.00 C ATOM 495 CG1 VAL A 35 -1.274 -20.922 3.279 1.00 0.00 C ATOM 496 CG2 VAL A 35 -2.546 -21.943 1.385 1.00 0.00 C ATOM 0 H VAL A 35 -4.517 -23.005 3.810 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.687 -23.786 3.070 1.00 0.00 H new ATOM 0 HB VAL A 35 -3.399 -21.259 3.240 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -1.344 -19.946 2.798 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -1.241 -20.792 4.361 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -0.367 -21.426 2.947 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.613 -20.966 0.906 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -1.643 -22.452 1.047 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -3.419 -22.538 1.118 1.00 0.00 H new ATOM 506 N ILE A 36 -0.875 -23.641 5.402 1.00 0.00 N ATOM 507 CA ILE A 36 -0.411 -23.514 6.809 1.00 0.00 C ATOM 508 C ILE A 36 0.836 -22.636 6.870 1.00 0.00 C ATOM 509 O ILE A 36 1.779 -22.833 6.135 1.00 0.00 O ATOM 510 CB ILE A 36 -0.104 -24.945 7.264 1.00 0.00 C ATOM 511 CG1 ILE A 36 -1.409 -25.626 7.694 1.00 0.00 C ATOM 512 CG2 ILE A 36 0.879 -24.915 8.442 1.00 0.00 C ATOM 513 CD1 ILE A 36 -1.103 -26.848 8.564 1.00 0.00 C ATOM 0 H ILE A 36 -0.314 -24.249 4.805 1.00 0.00 H new ATOM 0 HA ILE A 36 -1.156 -23.045 7.452 1.00 0.00 H new ATOM 0 HB ILE A 36 0.345 -25.502 6.442 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.030 -24.922 8.248 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.977 -25.929 6.814 1.00 0.00 H new ATOM 0 HG21 ILE A 36 1.094 -25.934 8.762 1.00 0.00 H new ATOM 0 HG22 ILE A 36 1.804 -24.429 8.132 1.00 0.00 H new ATOM 0 HG23 ILE A 36 0.438 -24.360 9.270 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.037 -27.324 8.864 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -0.500 -27.557 7.997 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -0.554 -26.534 9.452 1.00 0.00 H new ATOM 525 N PHE A 37 0.856 -21.676 7.747 1.00 0.00 N ATOM 526 CA PHE A 37 2.056 -20.802 7.846 1.00 0.00 C ATOM 527 C PHE A 37 3.035 -21.384 8.866 1.00 0.00 C ATOM 528 O PHE A 37 2.643 -21.859 9.914 1.00 0.00 O ATOM 529 CB PHE A 37 1.536 -19.446 8.326 1.00 0.00 C ATOM 530 CG PHE A 37 0.741 -18.775 7.230 1.00 0.00 C ATOM 531 CD1 PHE A 37 -0.610 -19.089 7.052 1.00 0.00 C ATOM 532 CD2 PHE A 37 1.353 -17.827 6.396 1.00 0.00 C ATOM 533 CE1 PHE A 37 -1.350 -18.460 6.046 1.00 0.00 C ATOM 534 CE2 PHE A 37 0.613 -17.199 5.388 1.00 0.00 C ATOM 535 CZ PHE A 37 -0.739 -17.514 5.213 1.00 0.00 C ATOM 0 H PHE A 37 0.100 -21.458 8.396 1.00 0.00 H new ATOM 0 HA PHE A 37 2.582 -20.717 6.895 1.00 0.00 H new ATOM 0 HB2 PHE A 37 0.911 -19.580 9.209 1.00 0.00 H new ATOM 0 HB3 PHE A 37 2.372 -18.811 8.620 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -1.083 -19.819 7.693 1.00 0.00 H new ATOM 0 HD2 PHE A 37 2.396 -17.582 6.532 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -2.393 -18.704 5.911 1.00 0.00 H new ATOM 0 HE2 PHE A 37 1.085 -16.471 4.745 1.00 0.00 H new ATOM 0 HZ PHE A 37 -1.311 -17.028 4.436 1.00 0.00 H new ATOM 545 N LEU A 38 4.305 -21.347 8.575 1.00 0.00 N ATOM 546 CA LEU A 38 5.300 -21.892 9.539 1.00 0.00 C ATOM 547 C LEU A 38 5.941 -20.737 10.301 1.00 0.00 C ATOM 548 O LEU A 38 6.499 -19.838 9.712 1.00 0.00 O ATOM 549 CB LEU A 38 6.341 -22.612 8.678 1.00 0.00 C ATOM 550 CG LEU A 38 7.035 -23.702 9.502 1.00 0.00 C ATOM 551 CD1 LEU A 38 7.387 -23.160 10.891 1.00 0.00 C ATOM 552 CD2 LEU A 38 6.101 -24.906 9.647 1.00 0.00 C ATOM 0 H LEU A 38 4.696 -20.964 7.714 1.00 0.00 H new ATOM 0 HA LEU A 38 4.855 -22.565 10.271 1.00 0.00 H new ATOM 0 HB2 LEU A 38 5.861 -23.054 7.805 1.00 0.00 H new ATOM 0 HB3 LEU A 38 7.078 -21.898 8.309 1.00 0.00 H new ATOM 0 HG LEU A 38 7.949 -24.008 8.993 1.00 0.00 H new ATOM 0 HD11 LEU A 38 7.880 -23.940 11.472 1.00 0.00 H new ATOM 0 HD12 LEU A 38 8.056 -22.305 10.789 1.00 0.00 H new ATOM 0 HD13 LEU A 38 6.476 -22.849 11.402 1.00 0.00 H new ATOM 0 HD21 LEU A 38 6.595 -25.681 10.233 1.00 0.00 H new ATOM 0 HD22 LEU A 38 5.185 -24.598 10.152 1.00 0.00 H new ATOM 0 HD23 LEU A 38 5.857 -25.298 8.660 1.00 0.00 H new ATOM 564 N THR A 39 5.853 -20.743 11.602 1.00 0.00 N ATOM 565 CA THR A 39 6.448 -19.629 12.395 1.00 0.00 C ATOM 566 C THR A 39 7.881 -19.970 12.803 1.00 0.00 C ATOM 567 O THR A 39 8.208 -21.108 13.071 1.00 0.00 O ATOM 568 CB THR A 39 5.560 -19.498 13.636 1.00 0.00 C ATOM 569 OG1 THR A 39 5.897 -20.519 14.566 1.00 0.00 O ATOM 570 CG2 THR A 39 4.088 -19.632 13.240 1.00 0.00 C ATOM 0 H THR A 39 5.395 -21.471 12.151 1.00 0.00 H new ATOM 0 HA THR A 39 6.491 -18.702 11.823 1.00 0.00 H new ATOM 0 HB THR A 39 5.719 -18.520 14.091 1.00 0.00 H new ATOM 0 HG1 THR A 39 5.884 -20.151 15.474 1.00 0.00 H new ATOM 0 HG21 THR A 39 3.462 -19.538 14.128 1.00 0.00 H new ATOM 0 HG22 THR A 39 3.830 -18.847 12.529 1.00 0.00 H new ATOM 0 HG23 THR A 39 3.922 -20.607 12.781 1.00 0.00 H new ATOM 578 N LYS A 40 8.736 -18.987 12.856 1.00 0.00 N ATOM 579 CA LYS A 40 10.149 -19.251 13.254 1.00 0.00 C ATOM 580 C LYS A 40 10.207 -19.712 14.712 1.00 0.00 C ATOM 581 O LYS A 40 11.113 -20.413 15.118 1.00 0.00 O ATOM 582 CB LYS A 40 10.866 -17.911 13.087 1.00 0.00 C ATOM 583 CG LYS A 40 12.054 -18.083 12.137 1.00 0.00 C ATOM 584 CD LYS A 40 12.704 -16.722 11.879 1.00 0.00 C ATOM 585 CE LYS A 40 14.170 -16.923 11.489 1.00 0.00 C ATOM 586 NZ LYS A 40 14.149 -18.018 10.478 1.00 0.00 N ATOM 0 H LYS A 40 8.519 -18.014 12.642 1.00 0.00 H new ATOM 0 HA LYS A 40 10.608 -20.035 12.653 1.00 0.00 H new ATOM 0 HB2 LYS A 40 10.177 -17.164 12.693 1.00 0.00 H new ATOM 0 HB3 LYS A 40 11.210 -17.548 14.055 1.00 0.00 H new ATOM 0 HG2 LYS A 40 12.782 -18.769 12.569 1.00 0.00 H new ATOM 0 HG3 LYS A 40 11.721 -18.522 11.197 1.00 0.00 H new ATOM 0 HD2 LYS A 40 12.173 -16.198 11.084 1.00 0.00 H new ATOM 0 HD3 LYS A 40 12.636 -16.099 12.771 1.00 0.00 H new ATOM 0 HE2 LYS A 40 14.598 -16.010 11.074 1.00 0.00 H new ATOM 0 HE3 LYS A 40 14.776 -17.195 12.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 14.986 -17.941 9.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 14.158 -18.938 10.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 13.288 -17.940 9.900 1.00 0.00 H new ATOM 600 N LYS A 41 9.244 -19.324 15.506 1.00 0.00 N ATOM 601 CA LYS A 41 9.243 -19.741 16.938 1.00 0.00 C ATOM 602 C LYS A 41 8.943 -21.238 17.054 1.00 0.00 C ATOM 603 O LYS A 41 8.999 -21.812 18.125 1.00 0.00 O ATOM 604 CB LYS A 41 8.133 -18.917 17.591 1.00 0.00 C ATOM 605 CG LYS A 41 8.466 -18.694 19.068 1.00 0.00 C ATOM 606 CD LYS A 41 7.448 -19.435 19.938 1.00 0.00 C ATOM 607 CE LYS A 41 6.327 -18.475 20.338 1.00 0.00 C ATOM 608 NZ LYS A 41 5.126 -18.961 19.600 1.00 0.00 N ATOM 0 H LYS A 41 8.459 -18.737 15.225 1.00 0.00 H new ATOM 0 HA LYS A 41 10.208 -19.574 17.417 1.00 0.00 H new ATOM 0 HB2 LYS A 41 8.029 -17.959 17.082 1.00 0.00 H new ATOM 0 HB3 LYS A 41 7.178 -19.434 17.496 1.00 0.00 H new ATOM 0 HG2 LYS A 41 9.473 -19.052 19.283 1.00 0.00 H new ATOM 0 HG3 LYS A 41 8.450 -17.629 19.299 1.00 0.00 H new ATOM 0 HD2 LYS A 41 7.037 -20.284 19.392 1.00 0.00 H new ATOM 0 HD3 LYS A 41 7.935 -19.833 20.828 1.00 0.00 H new ATOM 0 HE2 LYS A 41 6.161 -18.488 21.415 1.00 0.00 H new ATOM 0 HE3 LYS A 41 6.570 -17.448 20.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 4.312 -18.353 19.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 5.311 -18.931 18.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 4.915 -19.939 19.885 1.00 0.00 H new ATOM 622 N GLY A 42 8.630 -21.873 15.961 1.00 0.00 N ATOM 623 CA GLY A 42 8.330 -23.332 16.003 1.00 0.00 C ATOM 624 C GLY A 42 6.823 -23.548 16.163 1.00 0.00 C ATOM 625 O GLY A 42 6.370 -24.135 17.126 1.00 0.00 O ATOM 0 H GLY A 42 8.569 -21.445 15.037 1.00 0.00 H new ATOM 0 HA2 GLY A 42 8.680 -23.811 15.089 1.00 0.00 H new ATOM 0 HA3 GLY A 42 8.863 -23.798 16.831 1.00 0.00 H new ATOM 629 N ARG A 43 6.040 -23.081 15.227 1.00 0.00 N ATOM 630 CA ARG A 43 4.563 -23.265 15.327 1.00 0.00 C ATOM 631 C ARG A 43 3.948 -23.350 13.926 1.00 0.00 C ATOM 632 O ARG A 43 4.630 -23.210 12.932 1.00 0.00 O ATOM 633 CB ARG A 43 4.058 -22.025 16.063 1.00 0.00 C ATOM 634 CG ARG A 43 2.861 -22.402 16.939 1.00 0.00 C ATOM 635 CD ARG A 43 1.616 -21.664 16.446 1.00 0.00 C ATOM 636 NE ARG A 43 1.346 -20.633 17.487 1.00 0.00 N ATOM 637 CZ ARG A 43 0.116 -20.296 17.770 1.00 0.00 C ATOM 638 NH1 ARG A 43 -0.805 -21.215 17.874 1.00 0.00 N ATOM 639 NH2 ARG A 43 -0.193 -19.041 17.945 1.00 0.00 N ATOM 0 H ARG A 43 6.359 -22.580 14.398 1.00 0.00 H new ATOM 0 HA ARG A 43 4.293 -24.183 15.849 1.00 0.00 H new ATOM 0 HB2 ARG A 43 4.854 -21.605 16.678 1.00 0.00 H new ATOM 0 HB3 ARG A 43 3.770 -21.256 15.346 1.00 0.00 H new ATOM 0 HG2 ARG A 43 2.696 -23.479 16.904 1.00 0.00 H new ATOM 0 HG3 ARG A 43 3.062 -22.144 17.979 1.00 0.00 H new ATOM 0 HD2 ARG A 43 1.788 -21.207 15.472 1.00 0.00 H new ATOM 0 HD3 ARG A 43 0.771 -22.344 16.335 1.00 0.00 H new ATOM 0 HE ARG A 43 2.122 -20.190 17.979 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -0.564 -22.196 17.734 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -1.765 -20.952 18.095 1.00 0.00 H new ATOM 0 HH21 ARG A 43 0.526 -18.322 17.861 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -1.154 -18.778 18.166 1.00 0.00 H new ATOM 653 N GLN A 44 2.666 -23.582 13.839 1.00 0.00 N ATOM 654 CA GLN A 44 2.019 -23.677 12.497 1.00 0.00 C ATOM 655 C GLN A 44 0.564 -23.201 12.565 1.00 0.00 C ATOM 656 O GLN A 44 -0.176 -23.556 13.461 1.00 0.00 O ATOM 657 CB GLN A 44 2.080 -25.160 12.136 1.00 0.00 C ATOM 658 CG GLN A 44 1.476 -25.991 13.269 1.00 0.00 C ATOM 659 CD GLN A 44 2.080 -27.396 13.249 1.00 0.00 C ATOM 660 OE1 GLN A 44 2.749 -27.797 14.180 1.00 0.00 O ATOM 661 NE2 GLN A 44 1.870 -28.168 12.218 1.00 0.00 N ATOM 0 H GLN A 44 2.040 -23.709 14.635 1.00 0.00 H new ATOM 0 HA GLN A 44 2.518 -23.052 11.756 1.00 0.00 H new ATOM 0 HB2 GLN A 44 1.536 -25.341 11.209 1.00 0.00 H new ATOM 0 HB3 GLN A 44 3.114 -25.460 11.963 1.00 0.00 H new ATOM 0 HG2 GLN A 44 1.672 -25.513 14.229 1.00 0.00 H new ATOM 0 HG3 GLN A 44 0.393 -26.047 13.156 1.00 0.00 H new ATOM 0 HE21 GLN A 44 1.308 -27.832 11.436 1.00 0.00 H new ATOM 0 HE22 GLN A 44 2.268 -29.107 12.195 1.00 0.00 H new ATOM 670 N VAL A 45 0.148 -22.410 11.613 1.00 0.00 N ATOM 671 CA VAL A 45 -1.261 -21.921 11.610 1.00 0.00 C ATOM 672 C VAL A 45 -1.991 -22.464 10.381 1.00 0.00 C ATOM 673 O VAL A 45 -1.382 -23.005 9.480 1.00 0.00 O ATOM 674 CB VAL A 45 -1.158 -20.395 11.541 1.00 0.00 C ATOM 675 CG1 VAL A 45 -2.518 -19.809 11.152 1.00 0.00 C ATOM 676 CG2 VAL A 45 -0.740 -19.851 12.909 1.00 0.00 C ATOM 0 H VAL A 45 0.723 -22.081 10.837 1.00 0.00 H new ATOM 0 HA VAL A 45 -1.816 -22.247 12.490 1.00 0.00 H new ATOM 0 HB VAL A 45 -0.415 -20.113 10.795 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -2.445 -18.723 11.103 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -2.816 -20.197 10.178 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -3.262 -20.089 11.898 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -0.666 -18.765 12.861 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -1.483 -20.132 13.655 1.00 0.00 H new ATOM 0 HG23 VAL A 45 0.228 -20.269 13.186 1.00 0.00 H new ATOM 686 N CYS A 46 -3.288 -22.322 10.333 1.00 0.00 N ATOM 687 CA CYS A 46 -4.052 -22.833 9.156 1.00 0.00 C ATOM 688 C CYS A 46 -5.010 -21.753 8.651 1.00 0.00 C ATOM 689 O CYS A 46 -5.842 -21.264 9.383 1.00 0.00 O ATOM 690 CB CYS A 46 -4.834 -24.039 9.682 1.00 0.00 C ATOM 691 SG CYS A 46 -3.695 -25.398 10.041 1.00 0.00 S ATOM 0 H CYS A 46 -3.852 -21.875 11.056 1.00 0.00 H new ATOM 0 HA CYS A 46 -3.402 -23.103 8.324 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -5.382 -23.764 10.583 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -5.572 -24.356 8.945 1.00 0.00 H new ATOM 696 N ALA A 47 -4.892 -21.369 7.410 1.00 0.00 N ATOM 697 CA ALA A 47 -5.793 -20.310 6.869 1.00 0.00 C ATOM 698 C ALA A 47 -6.364 -20.724 5.510 1.00 0.00 C ATOM 699 O ALA A 47 -5.865 -21.620 4.860 1.00 0.00 O ATOM 700 CB ALA A 47 -4.899 -19.079 6.717 1.00 0.00 C ATOM 0 H ALA A 47 -4.212 -21.741 6.747 1.00 0.00 H new ATOM 0 HA ALA A 47 -6.646 -20.127 7.522 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -5.486 -18.250 6.322 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -4.490 -18.804 7.689 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -4.083 -19.305 6.031 1.00 0.00 H new ATOM 706 N LYS A 48 -7.407 -20.067 5.077 1.00 0.00 N ATOM 707 CA LYS A 48 -8.014 -20.407 3.759 1.00 0.00 C ATOM 708 C LYS A 48 -6.974 -20.258 2.646 1.00 0.00 C ATOM 709 O LYS A 48 -5.928 -19.672 2.847 1.00 0.00 O ATOM 710 CB LYS A 48 -9.142 -19.392 3.573 1.00 0.00 C ATOM 711 CG LYS A 48 -10.495 -20.091 3.720 1.00 0.00 C ATOM 712 CD LYS A 48 -11.616 -19.052 3.639 1.00 0.00 C ATOM 713 CE LYS A 48 -11.930 -18.530 5.043 1.00 0.00 C ATOM 714 NZ LYS A 48 -13.174 -17.725 4.881 1.00 0.00 N ATOM 0 H LYS A 48 -7.865 -19.308 5.581 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.376 -21.434 3.722 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -9.052 -18.595 4.311 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -9.067 -18.927 2.590 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -10.618 -20.837 2.935 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -10.542 -20.619 4.672 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -11.316 -18.228 2.992 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -12.508 -19.497 3.197 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -12.078 -19.350 5.746 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -11.113 -17.922 5.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -13.455 -17.332 5.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -13.000 -16.949 4.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -13.936 -18.332 4.517 1.00 0.00 H new ATOM 728 N PRO A 49 -7.299 -20.795 1.502 1.00 0.00 N ATOM 729 CA PRO A 49 -6.384 -20.722 0.338 1.00 0.00 C ATOM 730 C PRO A 49 -6.375 -19.307 -0.250 1.00 0.00 C ATOM 731 O PRO A 49 -5.370 -18.839 -0.747 1.00 0.00 O ATOM 732 CB PRO A 49 -6.981 -21.718 -0.650 1.00 0.00 C ATOM 733 CG PRO A 49 -8.430 -21.806 -0.286 1.00 0.00 C ATOM 734 CD PRO A 49 -8.539 -21.517 1.190 1.00 0.00 C ATOM 0 HA PRO A 49 -5.349 -20.950 0.592 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -6.852 -21.379 -1.678 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -6.495 -22.691 -0.572 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -9.015 -21.089 -0.862 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -8.824 -22.796 -0.514 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -9.419 -20.915 1.415 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -8.624 -22.435 1.772 1.00 0.00 H new ATOM 742 N SER A 50 -7.487 -18.623 -0.201 1.00 0.00 N ATOM 743 CA SER A 50 -7.537 -17.242 -0.762 1.00 0.00 C ATOM 744 C SER A 50 -8.002 -16.246 0.304 1.00 0.00 C ATOM 745 O SER A 50 -8.644 -15.259 0.006 1.00 0.00 O ATOM 746 CB SER A 50 -8.551 -17.315 -1.904 1.00 0.00 C ATOM 747 OG SER A 50 -8.022 -18.107 -2.957 1.00 0.00 O ATOM 0 H SER A 50 -8.361 -18.960 0.202 1.00 0.00 H new ATOM 0 HA SER A 50 -6.559 -16.903 -1.103 1.00 0.00 H new ATOM 0 HB2 SER A 50 -9.487 -17.744 -1.547 1.00 0.00 H new ATOM 0 HB3 SER A 50 -8.778 -16.313 -2.267 1.00 0.00 H new ATOM 0 HG SER A 50 -8.672 -18.155 -3.688 1.00 0.00 H new ATOM 753 N GLY A 51 -7.682 -16.492 1.545 1.00 0.00 N ATOM 754 CA GLY A 51 -8.106 -15.554 2.623 1.00 0.00 C ATOM 755 C GLY A 51 -7.608 -14.145 2.292 1.00 0.00 C ATOM 756 O GLY A 51 -6.508 -13.974 1.804 1.00 0.00 O ATOM 0 H GLY A 51 -7.146 -17.301 1.859 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.192 -15.556 2.716 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -7.703 -15.878 3.582 1.00 0.00 H new ATOM 760 N PRO A 52 -8.438 -13.179 2.572 1.00 0.00 N ATOM 761 CA PRO A 52 -8.082 -11.764 2.299 1.00 0.00 C ATOM 762 C PRO A 52 -6.940 -11.318 3.215 1.00 0.00 C ATOM 763 O PRO A 52 -7.156 -10.789 4.287 1.00 0.00 O ATOM 764 CB PRO A 52 -9.371 -11.004 2.604 1.00 0.00 C ATOM 765 CG PRO A 52 -10.114 -11.888 3.554 1.00 0.00 C ATOM 766 CD PRO A 52 -9.770 -13.304 3.174 1.00 0.00 C ATOM 0 HA PRO A 52 -7.732 -11.594 1.281 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -9.162 -10.031 3.049 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -9.948 -10.822 1.697 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -9.825 -11.681 4.584 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -11.188 -11.717 3.484 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -9.758 -13.962 4.043 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -10.492 -13.718 2.470 1.00 0.00 H new ATOM 774 N GLY A 53 -5.723 -11.537 2.798 1.00 0.00 N ATOM 775 CA GLY A 53 -4.559 -11.139 3.636 1.00 0.00 C ATOM 776 C GLY A 53 -3.619 -12.338 3.782 1.00 0.00 C ATOM 777 O GLY A 53 -2.419 -12.192 3.893 1.00 0.00 O ATOM 0 H GLY A 53 -5.485 -11.976 1.909 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -4.033 -10.302 3.177 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -4.898 -10.804 4.616 1.00 0.00 H new ATOM 781 N VAL A 54 -4.162 -13.527 3.773 1.00 0.00 N ATOM 782 CA VAL A 54 -3.306 -14.743 3.901 1.00 0.00 C ATOM 783 C VAL A 54 -2.324 -14.806 2.733 1.00 0.00 C ATOM 784 O VAL A 54 -1.162 -15.123 2.901 1.00 0.00 O ATOM 785 CB VAL A 54 -4.290 -15.914 3.850 1.00 0.00 C ATOM 786 CG1 VAL A 54 -3.520 -17.231 3.744 1.00 0.00 C ATOM 787 CG2 VAL A 54 -5.141 -15.922 5.123 1.00 0.00 C ATOM 0 H VAL A 54 -5.162 -13.709 3.683 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.713 -14.752 4.815 1.00 0.00 H new ATOM 0 HB VAL A 54 -4.937 -15.803 2.979 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -4.224 -18.062 3.708 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.916 -17.227 2.837 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -2.870 -17.343 4.612 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -5.842 -16.756 5.087 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -4.493 -16.030 5.993 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -5.694 -14.986 5.197 1.00 0.00 H new ATOM 797 N GLN A 55 -2.776 -14.493 1.551 1.00 0.00 N ATOM 798 CA GLN A 55 -1.859 -14.521 0.381 1.00 0.00 C ATOM 799 C GLN A 55 -0.838 -13.398 0.525 1.00 0.00 C ATOM 800 O GLN A 55 0.284 -13.497 0.072 1.00 0.00 O ATOM 801 CB GLN A 55 -2.753 -14.289 -0.838 1.00 0.00 C ATOM 802 CG GLN A 55 -2.385 -15.288 -1.939 1.00 0.00 C ATOM 803 CD GLN A 55 -3.488 -16.341 -2.060 1.00 0.00 C ATOM 804 OE1 GLN A 55 -4.642 -16.062 -1.800 1.00 0.00 O ATOM 805 NE2 GLN A 55 -3.181 -17.548 -2.448 1.00 0.00 N ATOM 0 H GLN A 55 -3.737 -14.220 1.346 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.310 -15.458 0.294 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -3.801 -14.406 -0.561 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -2.632 -13.269 -1.202 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -2.257 -14.768 -2.889 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -1.434 -15.767 -1.707 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -2.213 -17.783 -2.666 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -3.909 -18.257 -2.533 1.00 0.00 H new ATOM 814 N ASP A 56 -1.216 -12.333 1.177 1.00 0.00 N ATOM 815 CA ASP A 56 -0.265 -11.210 1.376 1.00 0.00 C ATOM 816 C ASP A 56 0.856 -11.664 2.309 1.00 0.00 C ATOM 817 O ASP A 56 2.005 -11.308 2.136 1.00 0.00 O ATOM 818 CB ASP A 56 -1.090 -10.094 2.020 1.00 0.00 C ATOM 819 CG ASP A 56 -0.254 -8.816 2.089 1.00 0.00 C ATOM 820 OD1 ASP A 56 -0.042 -8.214 1.048 1.00 0.00 O ATOM 821 OD2 ASP A 56 0.159 -8.459 3.180 1.00 0.00 O ATOM 0 H ASP A 56 -2.143 -12.194 1.580 1.00 0.00 H new ATOM 0 HA ASP A 56 0.196 -10.875 0.447 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -1.997 -9.917 1.441 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -1.404 -10.390 3.021 1.00 0.00 H new ATOM 826 N CYS A 57 0.534 -12.465 3.291 1.00 0.00 N ATOM 827 CA CYS A 57 1.590 -12.954 4.219 1.00 0.00 C ATOM 828 C CYS A 57 2.567 -13.840 3.450 1.00 0.00 C ATOM 829 O CYS A 57 3.770 -13.749 3.613 1.00 0.00 O ATOM 830 CB CYS A 57 0.841 -13.754 5.278 1.00 0.00 C ATOM 831 SG CYS A 57 -0.500 -12.739 5.940 1.00 0.00 S ATOM 0 H CYS A 57 -0.409 -12.799 3.488 1.00 0.00 H new ATOM 0 HA CYS A 57 2.172 -12.149 4.667 1.00 0.00 H new ATOM 0 HB2 CYS A 57 0.441 -14.671 4.845 1.00 0.00 H new ATOM 0 HB3 CYS A 57 1.520 -14.049 6.078 1.00 0.00 H new ATOM 836 N MET A 58 2.062 -14.690 2.597 1.00 0.00 N ATOM 837 CA MET A 58 2.970 -15.566 1.809 1.00 0.00 C ATOM 838 C MET A 58 3.795 -14.716 0.847 1.00 0.00 C ATOM 839 O MET A 58 4.939 -15.014 0.564 1.00 0.00 O ATOM 840 CB MET A 58 2.054 -16.504 1.031 1.00 0.00 C ATOM 841 CG MET A 58 1.084 -17.192 1.993 1.00 0.00 C ATOM 842 SD MET A 58 0.576 -18.783 1.297 1.00 0.00 S ATOM 843 CE MET A 58 0.155 -18.185 -0.358 1.00 0.00 C ATOM 0 H MET A 58 1.066 -14.814 2.414 1.00 0.00 H new ATOM 0 HA MET A 58 3.665 -16.116 2.443 1.00 0.00 H new ATOM 0 HB2 MET A 58 1.499 -15.944 0.278 1.00 0.00 H new ATOM 0 HB3 MET A 58 2.646 -17.250 0.501 1.00 0.00 H new ATOM 0 HG2 MET A 58 1.560 -17.342 2.962 1.00 0.00 H new ATOM 0 HG3 MET A 58 0.212 -16.561 2.161 1.00 0.00 H new ATOM 0 HE1 MET A 58 -0.573 -18.856 -0.813 1.00 0.00 H new ATOM 0 HE2 MET A 58 -0.270 -17.184 -0.286 1.00 0.00 H new ATOM 0 HE3 MET A 58 1.054 -18.154 -0.973 1.00 0.00 H new ATOM 853 N LYS A 59 3.232 -13.647 0.350 1.00 0.00 N ATOM 854 CA LYS A 59 4.002 -12.777 -0.578 1.00 0.00 C ATOM 855 C LYS A 59 5.168 -12.159 0.186 1.00 0.00 C ATOM 856 O LYS A 59 6.234 -11.935 -0.351 1.00 0.00 O ATOM 857 CB LYS A 59 3.018 -11.699 -1.033 1.00 0.00 C ATOM 858 CG LYS A 59 3.701 -10.788 -2.053 1.00 0.00 C ATOM 859 CD LYS A 59 2.658 -10.230 -3.023 1.00 0.00 C ATOM 860 CE LYS A 59 3.311 -9.180 -3.922 1.00 0.00 C ATOM 861 NZ LYS A 59 2.266 -8.832 -4.926 1.00 0.00 N ATOM 0 H LYS A 59 2.279 -13.342 0.546 1.00 0.00 H new ATOM 0 HA LYS A 59 4.411 -13.318 -1.431 1.00 0.00 H new ATOM 0 HB2 LYS A 59 2.135 -12.160 -1.475 1.00 0.00 H new ATOM 0 HB3 LYS A 59 2.679 -11.116 -0.177 1.00 0.00 H new ATOM 0 HG2 LYS A 59 4.211 -9.971 -1.542 1.00 0.00 H new ATOM 0 HG3 LYS A 59 4.461 -11.345 -2.601 1.00 0.00 H new ATOM 0 HD2 LYS A 59 2.241 -11.035 -3.629 1.00 0.00 H new ATOM 0 HD3 LYS A 59 1.831 -9.787 -2.469 1.00 0.00 H new ATOM 0 HE2 LYS A 59 3.616 -8.304 -3.349 1.00 0.00 H new ATOM 0 HE3 LYS A 59 4.206 -9.574 -4.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 2.639 -8.115 -5.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 2.000 -9.684 -5.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 1.429 -8.454 -4.439 1.00 0.00 H new ATOM 875 N LYS A 60 4.973 -11.901 1.450 1.00 0.00 N ATOM 876 CA LYS A 60 6.069 -11.321 2.269 1.00 0.00 C ATOM 877 C LYS A 60 7.175 -12.361 2.453 1.00 0.00 C ATOM 878 O LYS A 60 8.347 -12.040 2.470 1.00 0.00 O ATOM 879 CB LYS A 60 5.424 -10.977 3.612 1.00 0.00 C ATOM 880 CG LYS A 60 4.461 -9.802 3.431 1.00 0.00 C ATOM 881 CD LYS A 60 5.175 -8.668 2.692 1.00 0.00 C ATOM 882 CE LYS A 60 4.625 -7.322 3.170 1.00 0.00 C ATOM 883 NZ LYS A 60 4.994 -6.356 2.096 1.00 0.00 N ATOM 0 H LYS A 60 4.100 -12.068 1.950 1.00 0.00 H new ATOM 0 HA LYS A 60 6.521 -10.444 1.805 1.00 0.00 H new ATOM 0 HB2 LYS A 60 4.889 -11.843 4.002 1.00 0.00 H new ATOM 0 HB3 LYS A 60 6.193 -10.722 4.342 1.00 0.00 H new ATOM 0 HG2 LYS A 60 3.583 -10.121 2.869 1.00 0.00 H new ATOM 0 HG3 LYS A 60 4.109 -9.453 4.402 1.00 0.00 H new ATOM 0 HD2 LYS A 60 6.248 -8.720 2.874 1.00 0.00 H new ATOM 0 HD3 LYS A 60 5.029 -8.772 1.617 1.00 0.00 H new ATOM 0 HE2 LYS A 60 3.545 -7.364 3.310 1.00 0.00 H new ATOM 0 HE3 LYS A 60 5.060 -7.034 4.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 4.651 -5.407 2.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 6.028 -6.334 1.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 4.560 -6.652 1.198 1.00 0.00 H new ATOM 897 N LEU A 61 6.812 -13.612 2.590 1.00 0.00 N ATOM 898 CA LEU A 61 7.848 -14.669 2.770 1.00 0.00 C ATOM 899 C LEU A 61 8.530 -14.976 1.434 1.00 0.00 C ATOM 900 O LEU A 61 9.419 -15.800 1.355 1.00 0.00 O ATOM 901 CB LEU A 61 7.087 -15.894 3.281 1.00 0.00 C ATOM 902 CG LEU A 61 6.312 -15.530 4.552 1.00 0.00 C ATOM 903 CD1 LEU A 61 5.864 -16.811 5.260 1.00 0.00 C ATOM 904 CD2 LEU A 61 7.207 -14.716 5.491 1.00 0.00 C ATOM 0 H LEU A 61 5.847 -13.944 2.585 1.00 0.00 H new ATOM 0 HA LEU A 61 8.632 -14.362 3.462 1.00 0.00 H new ATOM 0 HB2 LEU A 61 6.399 -16.252 2.515 1.00 0.00 H new ATOM 0 HB3 LEU A 61 7.784 -16.706 3.489 1.00 0.00 H new ATOM 0 HG LEU A 61 5.439 -14.936 4.282 1.00 0.00 H new ATOM 0 HD11 LEU A 61 5.313 -16.553 6.164 1.00 0.00 H new ATOM 0 HD12 LEU A 61 5.221 -17.388 4.595 1.00 0.00 H new ATOM 0 HD13 LEU A 61 6.739 -17.405 5.525 1.00 0.00 H new ATOM 0 HD21 LEU A 61 6.651 -14.460 6.393 1.00 0.00 H new ATOM 0 HD22 LEU A 61 8.083 -15.306 5.760 1.00 0.00 H new ATOM 0 HD23 LEU A 61 7.525 -13.802 4.989 1.00 0.00 H new