USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 604 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 7 SER OG : rot -170:sc= 1.3 USER MOD Set 1.2: A 71 LYS NZ :NH3+ -174:sc= 0.838 (180deg=-0.364) USER MOD Set 2.1: A 55 ASN : amide:sc= 2.67 K(o=3.5,f=-10!) USER MOD Set 2.2: A 58 THR OG1 : rot 180:sc= -0.144 USER MOD Set 2.3: A 62 TYR OH : rot 30:sc= 0.998 USER MOD Single : A 8 CYS SG : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=-0.01) USER MOD Single : A 11 TYR OH : rot -166:sc= -1.15 USER MOD Single : A 12 LYS NZ :NH3+ 159:sc= -0.11 (180deg=-0.54) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 149:sc= 2.31 (180deg=0.037) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 TYR OH : rot 110:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 HIS : no HD1:sc= -1.4 X(o=-1.4,f=-1.5) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 CYS SG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ -177:sc= 2.18 (180deg=1.96) USER MOD Single : A 36 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0136) USER MOD Single : A 37 GLN : amide:sc= -1.32 K(o=-1.3,f=-5.5!) USER MOD Single : A 39 MET CE :methyl 164:sc= -0.413 (180deg=-0.617) USER MOD Single : A 43 LYS NZ :NH3+ -152:sc= -0.604 (180deg=-1.86!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 CYS SG : rot 22:sc= 2.26 USER MOD Single : A 52 GLN : amide:sc= -4.43! C(o=-4.4!,f=-4.5!) USER MOD Single : A 54 THR OG1 : rot -170:sc= -0.917 USER MOD Single : A 57 GLN : amide:sc= -0.657 K(o=-0.66,f=-5.6!) USER MOD Single : A 59 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00486) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.0285 USER MOD Single : A 66 ASN : amide:sc= 1.02 K(o=1,f=-0.49) USER MOD Single : A 72 ASN : amide:sc= -1.23 X(o=-1.2,f=-1.6!) USER MOD Single : A 73 SER OG : rot 180:sc=-0.000181 USER MOD Single : A 74 SER OG : rot 17:sc= 0.674 USER MOD ----------------------------------------------------------------- ATOM 78 N SER A 7 -14.169 2.945 -1.558 1.00 0.00 N ATOM 79 CA SER A 7 -13.331 1.966 -1.003 1.00 0.00 C ATOM 80 C SER A 7 -12.059 2.569 -0.516 1.00 0.00 C ATOM 81 O SER A 7 -11.437 3.385 -1.205 1.00 0.00 O ATOM 82 CB SER A 7 -13.073 0.900 -2.025 1.00 0.00 C ATOM 83 OG SER A 7 -14.277 0.196 -2.298 1.00 0.00 O ATOM 0 HA SER A 7 -13.824 1.516 -0.141 1.00 0.00 H new ATOM 0 HB2 SER A 7 -12.686 1.347 -2.941 1.00 0.00 H new ATOM 0 HB3 SER A 7 -12.312 0.210 -1.661 1.00 0.00 H new ATOM 0 HG SER A 7 -14.078 -0.594 -2.843 1.00 0.00 H new ATOM 89 N CYS A 8 -11.682 2.183 0.660 1.00 0.00 N ATOM 90 CA CYS A 8 -10.498 2.670 1.270 1.00 0.00 C ATOM 91 C CYS A 8 -9.887 1.592 2.105 1.00 0.00 C ATOM 92 O CYS A 8 -10.594 0.808 2.736 1.00 0.00 O ATOM 93 CB CYS A 8 -10.767 3.934 2.100 1.00 0.00 C ATOM 94 SG CYS A 8 -12.087 3.776 3.326 1.00 0.00 S ATOM 0 H CYS A 8 -12.198 1.511 1.228 1.00 0.00 H new ATOM 0 HA CYS A 8 -9.795 2.953 0.487 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -9.847 4.217 2.613 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -11.017 4.750 1.422 1.00 0.00 H new ATOM 0 HG CYS A 8 -12.222 4.900 3.965 1.00 0.00 H new ATOM 100 N VAL A 9 -8.606 1.514 2.061 1.00 0.00 N ATOM 101 CA VAL A 9 -7.882 0.556 2.826 1.00 0.00 C ATOM 102 C VAL A 9 -7.170 1.255 3.950 1.00 0.00 C ATOM 103 O VAL A 9 -6.446 2.241 3.719 1.00 0.00 O ATOM 104 CB VAL A 9 -6.874 -0.232 1.944 1.00 0.00 C ATOM 105 CG1 VAL A 9 -5.937 -1.070 2.798 1.00 0.00 C ATOM 106 CG2 VAL A 9 -7.624 -1.150 1.011 1.00 0.00 C ATOM 0 H VAL A 9 -8.020 2.120 1.486 1.00 0.00 H new ATOM 0 HA VAL A 9 -8.586 -0.168 3.236 1.00 0.00 H new ATOM 0 HB VAL A 9 -6.288 0.491 1.378 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -5.243 -1.610 2.154 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -5.377 -0.419 3.470 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -6.518 -1.782 3.384 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -6.914 -1.701 0.394 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -8.220 -1.852 1.593 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -8.280 -0.561 0.371 1.00 0.00 H new ATOM 116 N HIS A 10 -7.431 0.795 5.155 1.00 0.00 N ATOM 117 CA HIS A 10 -6.754 1.286 6.328 1.00 0.00 C ATOM 118 C HIS A 10 -5.357 0.752 6.340 1.00 0.00 C ATOM 119 O HIS A 10 -5.137 -0.438 6.602 1.00 0.00 O ATOM 120 CB HIS A 10 -7.469 0.882 7.621 1.00 0.00 C ATOM 121 CG HIS A 10 -8.701 1.661 7.941 1.00 0.00 C ATOM 122 ND1 HIS A 10 -8.801 2.496 9.029 1.00 0.00 N ATOM 123 CD2 HIS A 10 -9.910 1.688 7.336 1.00 0.00 C ATOM 124 CE1 HIS A 10 -10.029 2.994 9.061 1.00 0.00 C ATOM 125 NE2 HIS A 10 -10.757 2.536 8.052 1.00 0.00 N ATOM 0 H HIS A 10 -8.121 0.068 5.345 1.00 0.00 H new ATOM 0 HA HIS A 10 -6.751 2.375 6.285 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -7.734 -0.173 7.555 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -6.769 0.984 8.450 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -10.177 1.142 6.443 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -10.389 3.683 9.811 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -11.731 2.757 7.843 1.00 0.00 H new ATOM 133 N TYR A 11 -4.433 1.592 6.034 1.00 0.00 N ATOM 134 CA TYR A 11 -3.064 1.207 5.978 1.00 0.00 C ATOM 135 C TYR A 11 -2.275 2.118 6.881 1.00 0.00 C ATOM 136 O TYR A 11 -2.485 3.321 6.867 1.00 0.00 O ATOM 137 CB TYR A 11 -2.529 1.287 4.518 1.00 0.00 C ATOM 138 CG TYR A 11 -2.291 2.702 3.957 1.00 0.00 C ATOM 139 CD1 TYR A 11 -3.294 3.414 3.321 1.00 0.00 C ATOM 140 CD2 TYR A 11 -1.036 3.308 4.066 1.00 0.00 C ATOM 141 CE1 TYR A 11 -3.050 4.684 2.812 1.00 0.00 C ATOM 142 CE2 TYR A 11 -0.793 4.562 3.568 1.00 0.00 C ATOM 143 CZ TYR A 11 -1.796 5.246 2.942 1.00 0.00 C ATOM 144 OH TYR A 11 -1.543 6.502 2.439 1.00 0.00 O ATOM 0 H TYR A 11 -4.605 2.573 5.814 1.00 0.00 H new ATOM 0 HA TYR A 11 -2.959 0.174 6.311 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -1.590 0.736 4.467 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -3.236 0.774 3.866 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -4.277 2.978 3.219 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -0.236 2.774 4.556 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -3.839 5.230 2.316 1.00 0.00 H new ATOM 0 HE2 TYR A 11 0.186 5.007 3.670 1.00 0.00 H new ATOM 0 HH TYR A 11 -0.575 6.655 2.412 1.00 0.00 H new ATOM 154 N LYS A 12 -1.418 1.596 7.692 1.00 0.00 N ATOM 155 CA LYS A 12 -0.607 2.496 8.456 1.00 0.00 C ATOM 156 C LYS A 12 0.794 2.441 7.917 1.00 0.00 C ATOM 157 O LYS A 12 1.305 1.365 7.603 1.00 0.00 O ATOM 158 CB LYS A 12 -0.630 2.247 9.990 1.00 0.00 C ATOM 159 CG LYS A 12 0.341 1.196 10.505 1.00 0.00 C ATOM 160 CD LYS A 12 0.389 1.193 12.021 1.00 0.00 C ATOM 161 CE LYS A 12 1.554 0.351 12.540 1.00 0.00 C ATOM 162 NZ LYS A 12 2.880 0.870 12.091 1.00 0.00 N ATOM 0 H LYS A 12 -1.260 0.600 7.844 1.00 0.00 H new ATOM 0 HA LYS A 12 -1.032 3.493 8.342 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -0.417 3.189 10.495 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -1.640 1.953 10.276 1.00 0.00 H new ATOM 0 HG2 LYS A 12 0.041 0.212 10.146 1.00 0.00 H new ATOM 0 HG3 LYS A 12 1.337 1.390 10.107 1.00 0.00 H new ATOM 0 HD2 LYS A 12 0.486 2.216 12.386 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -0.549 0.802 12.416 1.00 0.00 H new ATOM 0 HE2 LYS A 12 1.526 0.330 13.629 1.00 0.00 H new ATOM 0 HE3 LYS A 12 1.435 -0.677 12.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 3.624 0.515 12.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 3.068 0.548 11.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 2.872 1.910 12.115 1.00 0.00 H new ATOM 176 N PHE A 13 1.385 3.575 7.740 1.00 0.00 N ATOM 177 CA PHE A 13 2.744 3.639 7.301 1.00 0.00 C ATOM 178 C PHE A 13 3.556 3.839 8.558 1.00 0.00 C ATOM 179 O PHE A 13 3.000 4.259 9.564 1.00 0.00 O ATOM 180 CB PHE A 13 2.938 4.827 6.365 1.00 0.00 C ATOM 181 CG PHE A 13 3.932 4.602 5.263 1.00 0.00 C ATOM 182 CD1 PHE A 13 5.280 4.436 5.529 1.00 0.00 C ATOM 183 CD2 PHE A 13 3.506 4.541 3.957 1.00 0.00 C ATOM 184 CE1 PHE A 13 6.176 4.212 4.512 1.00 0.00 C ATOM 185 CE2 PHE A 13 4.395 4.315 2.937 1.00 0.00 C ATOM 186 CZ PHE A 13 5.728 4.150 3.214 1.00 0.00 C ATOM 0 H PHE A 13 0.944 4.482 7.894 1.00 0.00 H new ATOM 0 HA PHE A 13 3.040 2.742 6.757 1.00 0.00 H new ATOM 0 HB2 PHE A 13 1.976 5.083 5.921 1.00 0.00 H new ATOM 0 HB3 PHE A 13 3.257 5.687 6.953 1.00 0.00 H new ATOM 0 HD1 PHE A 13 5.632 4.483 6.549 1.00 0.00 H new ATOM 0 HD2 PHE A 13 2.458 4.673 3.731 1.00 0.00 H new ATOM 0 HE1 PHE A 13 7.226 4.085 4.731 1.00 0.00 H new ATOM 0 HE2 PHE A 13 4.045 4.267 1.916 1.00 0.00 H new ATOM 0 HZ PHE A 13 6.427 3.971 2.411 1.00 0.00 H new ATOM 196 N SER A 14 4.831 3.575 8.510 1.00 0.00 N ATOM 197 CA SER A 14 5.692 3.691 9.671 1.00 0.00 C ATOM 198 C SER A 14 5.711 5.132 10.253 1.00 0.00 C ATOM 199 O SER A 14 5.935 5.308 11.452 1.00 0.00 O ATOM 200 CB SER A 14 7.107 3.216 9.321 1.00 0.00 C ATOM 201 OG SER A 14 7.924 3.081 10.480 1.00 0.00 O ATOM 0 H SER A 14 5.313 3.271 7.664 1.00 0.00 H new ATOM 0 HA SER A 14 5.284 3.050 10.452 1.00 0.00 H new ATOM 0 HB2 SER A 14 7.051 2.259 8.803 1.00 0.00 H new ATOM 0 HB3 SER A 14 7.568 3.924 8.633 1.00 0.00 H new ATOM 0 HG SER A 14 8.817 2.775 10.217 1.00 0.00 H new ATOM 207 N SER A 15 5.449 6.141 9.430 1.00 0.00 N ATOM 208 CA SER A 15 5.454 7.516 9.906 1.00 0.00 C ATOM 209 C SER A 15 4.058 7.915 10.456 1.00 0.00 C ATOM 210 O SER A 15 3.904 8.942 11.126 1.00 0.00 O ATOM 211 CB SER A 15 5.924 8.464 8.780 1.00 0.00 C ATOM 212 OG SER A 15 6.083 9.813 9.226 1.00 0.00 O ATOM 0 H SER A 15 5.233 6.033 8.439 1.00 0.00 H new ATOM 0 HA SER A 15 6.159 7.604 10.733 1.00 0.00 H new ATOM 0 HB2 SER A 15 6.872 8.104 8.379 1.00 0.00 H new ATOM 0 HB3 SER A 15 5.202 8.438 7.964 1.00 0.00 H new ATOM 0 HG SER A 15 6.382 10.372 8.478 1.00 0.00 H new ATOM 218 N LYS A 16 3.061 7.089 10.193 1.00 0.00 N ATOM 219 CA LYS A 16 1.716 7.313 10.704 1.00 0.00 C ATOM 220 C LYS A 16 1.568 6.490 11.972 1.00 0.00 C ATOM 221 O LYS A 16 1.960 5.327 11.994 1.00 0.00 O ATOM 222 CB LYS A 16 0.616 6.851 9.701 1.00 0.00 C ATOM 223 CG LYS A 16 0.292 7.736 8.468 1.00 0.00 C ATOM 224 CD LYS A 16 1.444 7.847 7.505 1.00 0.00 C ATOM 225 CE LYS A 16 0.995 8.180 6.071 1.00 0.00 C ATOM 226 NZ LYS A 16 0.291 9.477 5.919 1.00 0.00 N ATOM 0 H LYS A 16 3.157 6.249 9.623 1.00 0.00 H new ATOM 0 HA LYS A 16 1.586 8.382 10.876 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.903 5.866 9.331 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -0.308 6.723 10.264 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -0.571 7.322 7.947 1.00 0.00 H new ATOM 0 HG3 LYS A 16 0.012 8.733 8.807 1.00 0.00 H new ATOM 0 HD2 LYS A 16 2.130 8.619 7.854 1.00 0.00 H new ATOM 0 HD3 LYS A 16 1.997 6.908 7.498 1.00 0.00 H new ATOM 0 HE2 LYS A 16 1.872 8.182 5.423 1.00 0.00 H new ATOM 0 HE3 LYS A 16 0.339 7.384 5.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 0.483 9.868 4.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -0.733 9.332 6.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 0.628 10.142 6.644 1.00 0.00 H new ATOM 240 N LEU A 17 1.050 7.068 13.026 1.00 0.00 N ATOM 241 CA LEU A 17 0.842 6.293 14.247 1.00 0.00 C ATOM 242 C LEU A 17 -0.507 5.605 14.180 1.00 0.00 C ATOM 243 O LEU A 17 -0.745 4.586 14.839 1.00 0.00 O ATOM 244 CB LEU A 17 0.958 7.140 15.536 1.00 0.00 C ATOM 245 CG LEU A 17 2.342 7.754 15.861 1.00 0.00 C ATOM 246 CD1 LEU A 17 2.697 8.908 14.930 1.00 0.00 C ATOM 247 CD2 LEU A 17 2.408 8.196 17.313 1.00 0.00 C ATOM 0 H LEU A 17 0.767 8.047 13.076 1.00 0.00 H new ATOM 0 HA LEU A 17 1.640 5.553 14.302 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.235 7.953 15.471 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.660 6.515 16.378 1.00 0.00 H new ATOM 0 HG LEU A 17 3.084 6.972 15.699 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.676 9.304 15.199 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.720 8.551 13.900 1.00 0.00 H new ATOM 0 HD13 LEU A 17 1.949 9.695 15.024 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.389 8.624 17.519 1.00 0.00 H new ATOM 0 HD22 LEU A 17 1.639 8.945 17.501 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.244 7.336 17.963 1.00 0.00 H new ATOM 259 N ASN A 18 -1.372 6.158 13.369 1.00 0.00 N ATOM 260 CA ASN A 18 -2.691 5.619 13.139 1.00 0.00 C ATOM 261 C ASN A 18 -2.830 5.305 11.684 1.00 0.00 C ATOM 262 O ASN A 18 -1.995 5.729 10.880 1.00 0.00 O ATOM 263 CB ASN A 18 -3.782 6.593 13.586 1.00 0.00 C ATOM 264 CG ASN A 18 -3.781 6.802 15.076 1.00 0.00 C ATOM 265 OD1 ASN A 18 -3.105 7.700 15.596 1.00 0.00 O ATOM 266 ND2 ASN A 18 -4.510 5.983 15.781 1.00 0.00 N ATOM 0 H ASN A 18 -1.178 7.009 12.841 1.00 0.00 H new ATOM 0 HA ASN A 18 -2.813 4.712 13.730 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -3.638 7.551 13.086 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -4.755 6.214 13.275 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -4.537 6.070 16.797 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -5.054 5.255 15.317 1.00 0.00 H new ATOM 273 N TYR A 19 -3.860 4.606 11.329 1.00 0.00 N ATOM 274 CA TYR A 19 -4.036 4.167 9.970 1.00 0.00 C ATOM 275 C TYR A 19 -4.504 5.281 9.070 1.00 0.00 C ATOM 276 O TYR A 19 -5.266 6.177 9.481 1.00 0.00 O ATOM 277 CB TYR A 19 -4.980 2.973 9.880 1.00 0.00 C ATOM 278 CG TYR A 19 -4.458 1.694 10.526 1.00 0.00 C ATOM 279 CD1 TYR A 19 -4.230 1.610 11.895 1.00 0.00 C ATOM 280 CD2 TYR A 19 -4.224 0.564 9.764 1.00 0.00 C ATOM 281 CE1 TYR A 19 -3.785 0.447 12.475 1.00 0.00 C ATOM 282 CE2 TYR A 19 -3.778 -0.609 10.342 1.00 0.00 C ATOM 283 CZ TYR A 19 -3.563 -0.660 11.702 1.00 0.00 C ATOM 284 OH TYR A 19 -3.117 -1.825 12.293 1.00 0.00 O ATOM 0 H TYR A 19 -4.604 4.321 11.966 1.00 0.00 H new ATOM 0 HA TYR A 19 -3.054 3.849 9.620 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -5.927 3.240 10.350 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -5.191 2.773 8.829 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -4.406 2.477 12.515 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -4.393 0.599 8.698 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -3.611 0.406 13.540 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -3.599 -1.481 9.731 1.00 0.00 H new ATOM 0 HH TYR A 19 -3.832 -2.495 12.276 1.00 0.00 H new ATOM 294 N ASP A 20 -4.027 5.229 7.873 1.00 0.00 N ATOM 295 CA ASP A 20 -4.349 6.159 6.832 1.00 0.00 C ATOM 296 C ASP A 20 -5.299 5.410 5.909 1.00 0.00 C ATOM 297 O ASP A 20 -5.545 4.214 6.132 1.00 0.00 O ATOM 298 CB ASP A 20 -3.070 6.548 6.080 1.00 0.00 C ATOM 299 CG ASP A 20 -3.148 7.895 5.383 1.00 0.00 C ATOM 300 OD1 ASP A 20 -4.093 8.135 4.600 1.00 0.00 O ATOM 301 OD2 ASP A 20 -2.282 8.755 5.651 1.00 0.00 O ATOM 0 H ASP A 20 -3.372 4.506 7.575 1.00 0.00 H new ATOM 0 HA ASP A 20 -4.798 7.076 7.214 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -2.237 6.562 6.783 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -2.848 5.780 5.339 1.00 0.00 H new ATOM 306 N THR A 21 -5.793 6.033 4.885 1.00 0.00 N ATOM 307 CA THR A 21 -6.779 5.411 4.055 1.00 0.00 C ATOM 308 C THR A 21 -6.578 5.739 2.595 1.00 0.00 C ATOM 309 O THR A 21 -6.726 6.893 2.175 1.00 0.00 O ATOM 310 CB THR A 21 -8.221 5.759 4.508 1.00 0.00 C ATOM 311 OG1 THR A 21 -8.295 7.112 5.009 1.00 0.00 O ATOM 312 CG2 THR A 21 -8.743 4.780 5.554 1.00 0.00 C ATOM 0 H THR A 21 -5.529 6.977 4.602 1.00 0.00 H new ATOM 0 HA THR A 21 -6.647 4.335 4.172 1.00 0.00 H new ATOM 0 HB THR A 21 -8.858 5.676 3.628 1.00 0.00 H new ATOM 0 HG1 THR A 21 -9.214 7.308 5.287 1.00 0.00 H new ATOM 0 HG21 THR A 21 -9.756 5.062 5.843 1.00 0.00 H new ATOM 0 HG22 THR A 21 -8.751 3.773 5.138 1.00 0.00 H new ATOM 0 HG23 THR A 21 -8.096 4.805 6.431 1.00 0.00 H new ATOM 320 N VAL A 22 -6.242 4.732 1.820 1.00 0.00 N ATOM 321 CA VAL A 22 -6.039 4.918 0.409 1.00 0.00 C ATOM 322 C VAL A 22 -7.337 4.571 -0.306 1.00 0.00 C ATOM 323 O VAL A 22 -8.005 3.597 0.055 1.00 0.00 O ATOM 324 CB VAL A 22 -4.841 4.070 -0.128 1.00 0.00 C ATOM 325 CG1 VAL A 22 -5.121 2.569 -0.183 1.00 0.00 C ATOM 326 CG2 VAL A 22 -4.339 4.617 -1.442 1.00 0.00 C ATOM 0 H VAL A 22 -6.104 3.776 2.148 1.00 0.00 H new ATOM 0 HA VAL A 22 -5.776 5.958 0.215 1.00 0.00 H new ATOM 0 HB VAL A 22 -4.039 4.171 0.603 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -4.243 2.049 -0.566 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -5.351 2.205 0.818 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -5.970 2.381 -0.841 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -3.505 4.009 -1.794 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -5.143 4.592 -2.178 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -4.005 5.646 -1.304 1.00 0.00 H new ATOM 336 N THR A 23 -7.715 5.374 -1.258 1.00 0.00 N ATOM 337 CA THR A 23 -8.982 5.222 -1.921 1.00 0.00 C ATOM 338 C THR A 23 -8.846 4.705 -3.351 1.00 0.00 C ATOM 339 O THR A 23 -7.870 5.012 -4.049 1.00 0.00 O ATOM 340 CB THR A 23 -9.740 6.556 -1.916 1.00 0.00 C ATOM 341 OG1 THR A 23 -8.882 7.607 -2.394 1.00 0.00 O ATOM 342 CG2 THR A 23 -10.221 6.898 -0.520 1.00 0.00 C ATOM 0 H THR A 23 -7.154 6.155 -1.599 1.00 0.00 H new ATOM 0 HA THR A 23 -9.543 4.472 -1.364 1.00 0.00 H new ATOM 0 HB THR A 23 -10.605 6.459 -2.571 1.00 0.00 H new ATOM 0 HG1 THR A 23 -9.371 8.456 -2.390 1.00 0.00 H new ATOM 0 HG21 THR A 23 -10.755 7.848 -0.542 1.00 0.00 H new ATOM 0 HG22 THR A 23 -10.889 6.114 -0.163 1.00 0.00 H new ATOM 0 HG23 THR A 23 -9.365 6.979 0.150 1.00 0.00 H new ATOM 350 N PHE A 24 -9.813 3.907 -3.756 1.00 0.00 N ATOM 351 CA PHE A 24 -9.897 3.345 -5.096 1.00 0.00 C ATOM 352 C PHE A 24 -11.343 2.948 -5.346 1.00 0.00 C ATOM 353 O PHE A 24 -12.099 2.780 -4.384 1.00 0.00 O ATOM 354 CB PHE A 24 -8.965 2.110 -5.221 1.00 0.00 C ATOM 355 CG PHE A 24 -9.190 1.055 -4.154 1.00 0.00 C ATOM 356 CD1 PHE A 24 -8.597 1.183 -2.906 1.00 0.00 C ATOM 357 CD2 PHE A 24 -9.998 -0.052 -4.392 1.00 0.00 C ATOM 358 CE1 PHE A 24 -8.803 0.251 -1.932 1.00 0.00 C ATOM 359 CE2 PHE A 24 -10.200 -0.994 -3.402 1.00 0.00 C ATOM 360 CZ PHE A 24 -9.604 -0.839 -2.177 1.00 0.00 C ATOM 0 H PHE A 24 -10.583 3.622 -3.150 1.00 0.00 H new ATOM 0 HA PHE A 24 -9.576 4.079 -5.835 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -9.110 1.657 -6.202 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -7.928 2.444 -5.174 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -7.963 2.033 -2.703 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -10.470 -0.176 -5.356 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -8.336 0.370 -0.966 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -10.827 -1.852 -3.593 1.00 0.00 H new ATOM 0 HZ PHE A 24 -9.764 -1.575 -1.403 1.00 0.00 H new ATOM 370 N ASP A 25 -11.753 2.848 -6.588 1.00 0.00 N ATOM 371 CA ASP A 25 -13.092 2.372 -6.891 1.00 0.00 C ATOM 372 C ASP A 25 -13.042 0.927 -7.266 1.00 0.00 C ATOM 373 O ASP A 25 -12.452 0.554 -8.282 1.00 0.00 O ATOM 374 CB ASP A 25 -13.814 3.180 -7.973 1.00 0.00 C ATOM 375 CG ASP A 25 -14.666 4.308 -7.418 1.00 0.00 C ATOM 376 OD1 ASP A 25 -15.656 4.026 -6.696 1.00 0.00 O ATOM 377 OD2 ASP A 25 -14.404 5.493 -7.724 1.00 0.00 O ATOM 0 H ASP A 25 -11.188 3.086 -7.403 1.00 0.00 H new ATOM 0 HA ASP A 25 -13.678 2.508 -5.982 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -13.076 3.596 -8.658 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -14.447 2.510 -8.555 1.00 0.00 H new ATOM 382 N GLY A 26 -13.650 0.132 -6.462 1.00 0.00 N ATOM 383 CA GLY A 26 -13.627 -1.291 -6.623 1.00 0.00 C ATOM 384 C GLY A 26 -13.523 -1.913 -5.267 1.00 0.00 C ATOM 385 O GLY A 26 -13.395 -1.198 -4.292 1.00 0.00 O ATOM 0 H GLY A 26 -14.189 0.450 -5.657 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -14.531 -1.631 -7.129 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -12.782 -1.590 -7.244 1.00 0.00 H new ATOM 389 N LEU A 27 -13.574 -3.199 -5.176 1.00 0.00 N ATOM 390 CA LEU A 27 -13.518 -3.852 -3.887 1.00 0.00 C ATOM 391 C LEU A 27 -12.078 -4.057 -3.449 1.00 0.00 C ATOM 392 O LEU A 27 -11.756 -3.993 -2.249 1.00 0.00 O ATOM 393 CB LEU A 27 -14.256 -5.190 -3.926 1.00 0.00 C ATOM 394 CG LEU A 27 -14.289 -5.984 -2.616 1.00 0.00 C ATOM 395 CD1 LEU A 27 -14.994 -5.195 -1.520 1.00 0.00 C ATOM 396 CD2 LEU A 27 -14.960 -7.329 -2.829 1.00 0.00 C ATOM 0 H LEU A 27 -13.655 -3.830 -5.973 1.00 0.00 H new ATOM 0 HA LEU A 27 -14.011 -3.206 -3.160 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -15.283 -5.005 -4.240 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -13.795 -5.813 -4.692 1.00 0.00 H new ATOM 0 HG LEU A 27 -13.262 -6.159 -2.295 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -15.005 -5.780 -0.600 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -14.464 -4.258 -1.348 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -16.018 -4.982 -1.826 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -14.975 -7.881 -1.889 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -15.982 -7.175 -3.176 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -14.405 -7.898 -3.575 1.00 0.00 H new ATOM 408 N HIS A 28 -11.217 -4.276 -4.403 1.00 0.00 N ATOM 409 CA HIS A 28 -9.827 -4.545 -4.119 1.00 0.00 C ATOM 410 C HIS A 28 -8.889 -3.993 -5.138 1.00 0.00 C ATOM 411 O HIS A 28 -9.227 -3.852 -6.322 1.00 0.00 O ATOM 412 CB HIS A 28 -9.536 -6.028 -3.829 1.00 0.00 C ATOM 413 CG HIS A 28 -10.376 -7.032 -4.555 1.00 0.00 C ATOM 414 ND1 HIS A 28 -11.027 -8.054 -3.910 1.00 0.00 N ATOM 415 CD2 HIS A 28 -10.663 -7.172 -5.869 1.00 0.00 C ATOM 416 CE1 HIS A 28 -11.681 -8.772 -4.816 1.00 0.00 C ATOM 417 NE2 HIS A 28 -11.494 -8.278 -6.034 1.00 0.00 N ATOM 0 H HIS A 28 -11.453 -4.274 -5.395 1.00 0.00 H new ATOM 0 HA HIS A 28 -9.634 -4.001 -3.195 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -8.490 -6.223 -4.068 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -9.655 -6.195 -2.758 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -10.306 -6.531 -6.661 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -12.283 -9.640 -4.592 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -11.879 -8.634 -6.909 1.00 0.00 H new ATOM 425 N ILE A 29 -7.714 -3.689 -4.672 1.00 0.00 N ATOM 426 CA ILE A 29 -6.696 -3.102 -5.466 1.00 0.00 C ATOM 427 C ILE A 29 -5.422 -3.955 -5.428 1.00 0.00 C ATOM 428 O ILE A 29 -5.000 -4.407 -4.366 1.00 0.00 O ATOM 429 CB ILE A 29 -6.421 -1.637 -5.002 1.00 0.00 C ATOM 430 CG1 ILE A 29 -5.282 -1.027 -5.788 1.00 0.00 C ATOM 431 CG2 ILE A 29 -6.128 -1.570 -3.504 1.00 0.00 C ATOM 432 CD1 ILE A 29 -5.178 0.481 -5.664 1.00 0.00 C ATOM 0 H ILE A 29 -7.438 -3.850 -3.703 1.00 0.00 H new ATOM 0 HA ILE A 29 -7.035 -3.065 -6.501 1.00 0.00 H new ATOM 0 HB ILE A 29 -7.325 -1.059 -5.194 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -4.345 -1.473 -5.454 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -5.402 -1.286 -6.840 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -5.941 -0.536 -3.216 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -6.984 -1.953 -2.948 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -5.249 -2.174 -3.278 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -4.336 0.838 -6.258 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -6.098 0.940 -6.026 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -5.025 0.750 -4.619 1.00 0.00 H new ATOM 444 N SER A 30 -4.876 -4.223 -6.589 1.00 0.00 N ATOM 445 CA SER A 30 -3.635 -4.962 -6.730 1.00 0.00 C ATOM 446 C SER A 30 -2.490 -4.212 -6.054 1.00 0.00 C ATOM 447 O SER A 30 -2.479 -2.990 -6.031 1.00 0.00 O ATOM 448 CB SER A 30 -3.316 -5.130 -8.207 1.00 0.00 C ATOM 449 OG SER A 30 -4.402 -5.729 -8.893 1.00 0.00 O ATOM 0 H SER A 30 -5.283 -3.932 -7.478 1.00 0.00 H new ATOM 0 HA SER A 30 -3.750 -5.937 -6.257 1.00 0.00 H new ATOM 0 HB2 SER A 30 -3.093 -4.158 -8.648 1.00 0.00 H new ATOM 0 HB3 SER A 30 -2.423 -5.745 -8.323 1.00 0.00 H new ATOM 0 HG SER A 30 -4.176 -5.826 -9.842 1.00 0.00 H new ATOM 455 N LEU A 31 -1.544 -4.947 -5.534 1.00 0.00 N ATOM 456 CA LEU A 31 -0.397 -4.415 -4.840 1.00 0.00 C ATOM 457 C LEU A 31 0.400 -3.469 -5.728 1.00 0.00 C ATOM 458 O LEU A 31 0.842 -2.428 -5.271 1.00 0.00 O ATOM 459 CB LEU A 31 0.483 -5.556 -4.331 1.00 0.00 C ATOM 460 CG LEU A 31 1.711 -5.151 -3.533 1.00 0.00 C ATOM 461 CD1 LEU A 31 1.308 -4.371 -2.308 1.00 0.00 C ATOM 462 CD2 LEU A 31 2.504 -6.367 -3.135 1.00 0.00 C ATOM 0 H LEU A 31 -1.549 -5.966 -5.582 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.752 -3.838 -3.986 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.129 -6.210 -3.710 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.810 -6.145 -5.188 1.00 0.00 H new ATOM 0 HG LEU A 31 2.336 -4.517 -4.162 1.00 0.00 H new ATOM 0 HD11 LEU A 31 2.199 -4.088 -1.747 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.769 -3.473 -2.610 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.664 -4.987 -1.680 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.380 -6.059 -2.564 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.884 -7.022 -2.523 1.00 0.00 H new ATOM 0 HD23 LEU A 31 2.823 -6.902 -4.029 1.00 0.00 H new ATOM 474 N CYS A 32 0.575 -3.840 -6.986 1.00 0.00 N ATOM 475 CA CYS A 32 1.245 -2.989 -7.962 1.00 0.00 C ATOM 476 C CYS A 32 0.544 -1.616 -8.029 1.00 0.00 C ATOM 477 O CYS A 32 1.183 -0.583 -7.928 1.00 0.00 O ATOM 478 CB CYS A 32 1.224 -3.667 -9.344 1.00 0.00 C ATOM 479 SG CYS A 32 2.076 -2.762 -10.655 1.00 0.00 S ATOM 0 H CYS A 32 0.259 -4.735 -7.360 1.00 0.00 H new ATOM 0 HA CYS A 32 2.281 -2.839 -7.658 1.00 0.00 H new ATOM 0 HB2 CYS A 32 1.675 -4.655 -9.254 1.00 0.00 H new ATOM 0 HB3 CYS A 32 0.186 -3.817 -9.642 1.00 0.00 H new ATOM 0 HG CYS A 32 1.993 -3.429 -11.768 1.00 0.00 H new ATOM 485 N ASP A 33 -0.774 -1.636 -8.095 1.00 0.00 N ATOM 486 CA ASP A 33 -1.574 -0.418 -8.161 1.00 0.00 C ATOM 487 C ASP A 33 -1.518 0.319 -6.840 1.00 0.00 C ATOM 488 O ASP A 33 -1.326 1.535 -6.794 1.00 0.00 O ATOM 489 CB ASP A 33 -3.044 -0.744 -8.485 1.00 0.00 C ATOM 490 CG ASP A 33 -3.298 -1.191 -9.896 1.00 0.00 C ATOM 491 OD1 ASP A 33 -3.362 -0.335 -10.808 1.00 0.00 O ATOM 492 OD2 ASP A 33 -3.512 -2.398 -10.125 1.00 0.00 O ATOM 0 H ASP A 33 -1.324 -2.495 -8.105 1.00 0.00 H new ATOM 0 HA ASP A 33 -1.161 0.208 -8.952 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -3.386 -1.525 -7.805 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -3.649 0.140 -8.285 1.00 0.00 H new ATOM 497 N LEU A 34 -1.654 -0.440 -5.770 1.00 0.00 N ATOM 498 CA LEU A 34 -1.699 0.093 -4.421 1.00 0.00 C ATOM 499 C LEU A 34 -0.402 0.779 -4.035 1.00 0.00 C ATOM 500 O LEU A 34 -0.424 1.893 -3.503 1.00 0.00 O ATOM 501 CB LEU A 34 -2.133 -1.007 -3.413 1.00 0.00 C ATOM 502 CG LEU A 34 -2.066 -0.675 -1.910 1.00 0.00 C ATOM 503 CD1 LEU A 34 -3.139 -1.439 -1.160 1.00 0.00 C ATOM 504 CD2 LEU A 34 -0.707 -1.073 -1.350 1.00 0.00 C ATOM 0 H LEU A 34 -1.737 -1.456 -5.813 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.459 0.874 -4.388 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.159 -1.289 -3.648 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.513 -1.886 -3.589 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.220 0.397 -1.787 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -3.083 -1.197 -0.099 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.120 -1.160 -1.544 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -2.986 -2.510 -1.297 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -0.668 -0.835 -0.287 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.556 -2.144 -1.488 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.077 -0.526 -1.874 1.00 0.00 H new ATOM 516 N LYS A 35 0.723 0.140 -4.324 1.00 0.00 N ATOM 517 CA LYS A 35 2.005 0.719 -4.007 1.00 0.00 C ATOM 518 C LYS A 35 2.214 2.000 -4.757 1.00 0.00 C ATOM 519 O LYS A 35 2.629 2.964 -4.175 1.00 0.00 O ATOM 520 CB LYS A 35 3.165 -0.224 -4.264 1.00 0.00 C ATOM 521 CG LYS A 35 3.167 -1.464 -3.400 1.00 0.00 C ATOM 522 CD LYS A 35 4.414 -2.307 -3.629 1.00 0.00 C ATOM 523 CE LYS A 35 4.584 -2.796 -5.040 1.00 0.00 C ATOM 524 NZ LYS A 35 5.872 -3.508 -5.197 1.00 0.00 N ATOM 0 H LYS A 35 0.766 -0.774 -4.775 1.00 0.00 H new ATOM 0 HA LYS A 35 1.987 0.922 -2.936 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.146 -0.526 -5.311 1.00 0.00 H new ATOM 0 HB3 LYS A 35 4.098 0.316 -4.105 1.00 0.00 H new ATOM 0 HG2 LYS A 35 3.110 -1.176 -2.350 1.00 0.00 H new ATOM 0 HG3 LYS A 35 2.280 -2.060 -3.616 1.00 0.00 H new ATOM 0 HD2 LYS A 35 5.290 -1.720 -3.353 1.00 0.00 H new ATOM 0 HD3 LYS A 35 4.384 -3.167 -2.961 1.00 0.00 H new ATOM 0 HE2 LYS A 35 3.761 -3.462 -5.301 1.00 0.00 H new ATOM 0 HE3 LYS A 35 4.543 -1.953 -5.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 5.992 -3.793 -6.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 6.652 -2.879 -4.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 5.877 -4.353 -4.591 1.00 0.00 H new ATOM 538 N LYS A 36 1.859 2.026 -6.036 1.00 0.00 N ATOM 539 CA LYS A 36 2.004 3.244 -6.847 1.00 0.00 C ATOM 540 C LYS A 36 1.158 4.384 -6.284 1.00 0.00 C ATOM 541 O LYS A 36 1.573 5.555 -6.308 1.00 0.00 O ATOM 542 CB LYS A 36 1.646 2.991 -8.320 1.00 0.00 C ATOM 543 CG LYS A 36 2.791 2.493 -9.221 1.00 0.00 C ATOM 544 CD LYS A 36 3.463 1.231 -8.708 1.00 0.00 C ATOM 545 CE LYS A 36 4.432 0.652 -9.731 1.00 0.00 C ATOM 546 NZ LYS A 36 5.540 1.573 -10.067 1.00 0.00 N ATOM 0 H LYS A 36 1.471 1.227 -6.538 1.00 0.00 H new ATOM 0 HA LYS A 36 3.053 3.536 -6.802 1.00 0.00 H new ATOM 0 HB2 LYS A 36 0.839 2.259 -8.356 1.00 0.00 H new ATOM 0 HB3 LYS A 36 1.256 3.917 -8.742 1.00 0.00 H new ATOM 0 HG2 LYS A 36 2.400 2.306 -10.221 1.00 0.00 H new ATOM 0 HG3 LYS A 36 3.539 3.281 -9.313 1.00 0.00 H new ATOM 0 HD2 LYS A 36 3.998 1.453 -7.785 1.00 0.00 H new ATOM 0 HD3 LYS A 36 2.704 0.488 -8.465 1.00 0.00 H new ATOM 0 HE2 LYS A 36 4.846 -0.279 -9.344 1.00 0.00 H new ATOM 0 HE3 LYS A 36 3.885 0.404 -10.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 6.201 1.099 -10.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 5.157 2.424 -10.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 6.042 1.844 -9.197 1.00 0.00 H new ATOM 560 N GLN A 37 -0.003 4.045 -5.752 1.00 0.00 N ATOM 561 CA GLN A 37 -0.860 5.029 -5.134 1.00 0.00 C ATOM 562 C GLN A 37 -0.272 5.542 -3.837 1.00 0.00 C ATOM 563 O GLN A 37 -0.274 6.748 -3.585 1.00 0.00 O ATOM 564 CB GLN A 37 -2.276 4.490 -4.922 1.00 0.00 C ATOM 565 CG GLN A 37 -3.101 4.432 -6.199 1.00 0.00 C ATOM 566 CD GLN A 37 -3.480 5.820 -6.714 1.00 0.00 C ATOM 567 OE1 GLN A 37 -2.768 6.810 -6.503 1.00 0.00 O ATOM 568 NE2 GLN A 37 -4.575 5.905 -7.400 1.00 0.00 N ATOM 0 H GLN A 37 -0.370 3.094 -5.738 1.00 0.00 H new ATOM 0 HA GLN A 37 -0.928 5.872 -5.822 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -2.215 3.490 -4.493 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -2.790 5.118 -4.195 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -2.537 3.904 -6.968 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -4.008 3.856 -6.016 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -5.143 5.073 -7.559 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -4.869 6.804 -7.781 1.00 0.00 H new ATOM 577 N ILE A 38 0.265 4.645 -3.037 1.00 0.00 N ATOM 578 CA ILE A 38 0.844 5.014 -1.753 1.00 0.00 C ATOM 579 C ILE A 38 2.199 5.717 -1.929 1.00 0.00 C ATOM 580 O ILE A 38 2.522 6.661 -1.194 1.00 0.00 O ATOM 581 CB ILE A 38 0.976 3.796 -0.798 1.00 0.00 C ATOM 582 CG1 ILE A 38 -0.408 3.189 -0.525 1.00 0.00 C ATOM 583 CG2 ILE A 38 1.644 4.207 0.516 1.00 0.00 C ATOM 584 CD1 ILE A 38 -0.389 1.980 0.381 1.00 0.00 C ATOM 0 H ILE A 38 0.315 3.649 -3.251 1.00 0.00 H new ATOM 0 HA ILE A 38 0.153 5.718 -1.290 1.00 0.00 H new ATOM 0 HB ILE A 38 1.603 3.046 -1.279 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -1.045 3.953 -0.079 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -0.863 2.909 -1.475 1.00 0.00 H new ATOM 0 HG21 ILE A 38 1.726 3.339 1.170 1.00 0.00 H new ATOM 0 HG22 ILE A 38 2.639 4.602 0.310 1.00 0.00 H new ATOM 0 HG23 ILE A 38 1.043 4.974 1.005 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -1.406 1.615 0.521 1.00 0.00 H new ATOM 0 HD12 ILE A 38 0.219 1.196 -0.071 1.00 0.00 H new ATOM 0 HD13 ILE A 38 0.034 2.256 1.347 1.00 0.00 H new ATOM 596 N MET A 39 2.971 5.283 -2.913 1.00 0.00 N ATOM 597 CA MET A 39 4.262 5.896 -3.192 1.00 0.00 C ATOM 598 C MET A 39 4.079 7.341 -3.587 1.00 0.00 C ATOM 599 O MET A 39 4.756 8.212 -3.065 1.00 0.00 O ATOM 600 CB MET A 39 5.071 5.154 -4.268 1.00 0.00 C ATOM 601 CG MET A 39 5.513 3.744 -3.903 1.00 0.00 C ATOM 602 SD MET A 39 6.558 3.024 -5.190 1.00 0.00 S ATOM 603 CE MET A 39 6.996 1.455 -4.454 1.00 0.00 C ATOM 0 H MET A 39 2.727 4.510 -3.532 1.00 0.00 H new ATOM 0 HA MET A 39 4.839 5.832 -2.269 1.00 0.00 H new ATOM 0 HB2 MET A 39 4.472 5.104 -5.177 1.00 0.00 H new ATOM 0 HB3 MET A 39 5.957 5.744 -4.502 1.00 0.00 H new ATOM 0 HG2 MET A 39 6.058 3.765 -2.959 1.00 0.00 H new ATOM 0 HG3 MET A 39 4.636 3.115 -3.750 1.00 0.00 H new ATOM 0 HE1 MET A 39 7.391 0.790 -5.222 1.00 0.00 H new ATOM 0 HE2 MET A 39 7.753 1.612 -3.686 1.00 0.00 H new ATOM 0 HE3 MET A 39 6.111 1.004 -4.004 1.00 0.00 H new ATOM 613 N GLY A 40 3.129 7.601 -4.469 1.00 0.00 N ATOM 614 CA GLY A 40 2.842 8.966 -4.864 1.00 0.00 C ATOM 615 C GLY A 40 2.261 9.768 -3.702 1.00 0.00 C ATOM 616 O GLY A 40 2.629 10.937 -3.493 1.00 0.00 O ATOM 0 H GLY A 40 2.550 6.893 -4.920 1.00 0.00 H new ATOM 0 HA2 GLY A 40 3.755 9.444 -5.218 1.00 0.00 H new ATOM 0 HA3 GLY A 40 2.139 8.966 -5.697 1.00 0.00 H new ATOM 620 N ARG A 41 1.412 9.101 -2.924 1.00 0.00 N ATOM 621 CA ARG A 41 0.741 9.641 -1.725 1.00 0.00 C ATOM 622 C ARG A 41 1.761 10.205 -0.736 1.00 0.00 C ATOM 623 O ARG A 41 1.636 11.330 -0.271 1.00 0.00 O ATOM 624 CB ARG A 41 -0.023 8.476 -1.062 1.00 0.00 C ATOM 625 CG ARG A 41 -0.696 8.716 0.287 1.00 0.00 C ATOM 626 CD ARG A 41 -1.922 9.596 0.210 1.00 0.00 C ATOM 627 NE ARG A 41 -2.686 9.540 1.473 1.00 0.00 N ATOM 628 CZ ARG A 41 -3.618 10.422 1.859 1.00 0.00 C ATOM 629 NH1 ARG A 41 -3.930 11.450 1.080 1.00 0.00 N ATOM 630 NH2 ARG A 41 -4.249 10.253 3.011 1.00 0.00 N ATOM 0 H ARG A 41 1.157 8.131 -3.111 1.00 0.00 H new ATOM 0 HA ARG A 41 0.067 10.449 -2.009 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -0.791 8.144 -1.761 1.00 0.00 H new ATOM 0 HB3 ARG A 41 0.676 7.649 -0.940 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -0.977 7.755 0.718 1.00 0.00 H new ATOM 0 HG3 ARG A 41 0.025 9.172 0.966 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -1.625 10.624 0.004 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -2.554 9.275 -0.618 1.00 0.00 H new ATOM 0 HE ARG A 41 -2.487 8.764 2.105 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -3.460 11.571 0.183 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -4.640 12.119 1.378 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -4.025 9.453 3.602 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -4.959 10.923 3.307 1.00 0.00 H new ATOM 644 N GLU A 42 2.769 9.421 -0.429 1.00 0.00 N ATOM 645 CA GLU A 42 3.764 9.818 0.558 1.00 0.00 C ATOM 646 C GLU A 42 5.040 10.335 -0.071 1.00 0.00 C ATOM 647 O GLU A 42 6.006 10.649 0.636 1.00 0.00 O ATOM 648 CB GLU A 42 4.052 8.683 1.515 1.00 0.00 C ATOM 649 CG GLU A 42 2.904 8.315 2.430 1.00 0.00 C ATOM 650 CD GLU A 42 2.570 9.430 3.382 1.00 0.00 C ATOM 651 OE1 GLU A 42 3.459 9.820 4.183 1.00 0.00 O ATOM 652 OE2 GLU A 42 1.417 9.906 3.395 1.00 0.00 O ATOM 0 H GLU A 42 2.927 8.503 -0.845 1.00 0.00 H new ATOM 0 HA GLU A 42 3.337 10.649 1.119 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.334 7.803 0.937 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.913 8.952 2.127 1.00 0.00 H new ATOM 0 HG2 GLU A 42 2.026 8.072 1.832 1.00 0.00 H new ATOM 0 HG3 GLU A 42 3.162 7.419 2.995 1.00 0.00 H new ATOM 659 N LYS A 43 5.021 10.473 -1.384 1.00 0.00 N ATOM 660 CA LYS A 43 6.127 11.035 -2.153 1.00 0.00 C ATOM 661 C LYS A 43 7.402 10.162 -2.058 1.00 0.00 C ATOM 662 O LYS A 43 8.520 10.681 -2.080 1.00 0.00 O ATOM 663 CB LYS A 43 6.421 12.513 -1.738 1.00 0.00 C ATOM 664 CG LYS A 43 5.256 13.509 -1.959 1.00 0.00 C ATOM 665 CD LYS A 43 4.122 13.430 -0.919 1.00 0.00 C ATOM 666 CE LYS A 43 4.447 14.123 0.416 1.00 0.00 C ATOM 667 NZ LYS A 43 5.603 13.543 1.140 1.00 0.00 N ATOM 0 H LYS A 43 4.226 10.195 -1.959 1.00 0.00 H new ATOM 0 HA LYS A 43 5.816 11.039 -3.198 1.00 0.00 H new ATOM 0 HB2 LYS A 43 6.695 12.529 -0.683 1.00 0.00 H new ATOM 0 HB3 LYS A 43 7.288 12.864 -2.298 1.00 0.00 H new ATOM 0 HG2 LYS A 43 5.659 14.522 -1.958 1.00 0.00 H new ATOM 0 HG3 LYS A 43 4.833 13.336 -2.949 1.00 0.00 H new ATOM 0 HD2 LYS A 43 3.224 13.881 -1.341 1.00 0.00 H new ATOM 0 HD3 LYS A 43 3.892 12.382 -0.726 1.00 0.00 H new ATOM 0 HE2 LYS A 43 4.645 15.178 0.225 1.00 0.00 H new ATOM 0 HE3 LYS A 43 3.569 14.075 1.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 5.486 13.699 2.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 5.656 12.522 0.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 6.479 14.001 0.818 1.00 0.00 H new ATOM 681 N LEU A 44 7.215 8.840 -2.017 1.00 0.00 N ATOM 682 CA LEU A 44 8.330 7.893 -1.924 1.00 0.00 C ATOM 683 C LEU A 44 9.187 7.893 -3.162 1.00 0.00 C ATOM 684 O LEU A 44 8.729 8.214 -4.270 1.00 0.00 O ATOM 685 CB LEU A 44 7.881 6.436 -1.712 1.00 0.00 C ATOM 686 CG LEU A 44 7.568 5.970 -0.300 1.00 0.00 C ATOM 687 CD1 LEU A 44 6.287 6.564 0.213 1.00 0.00 C ATOM 688 CD2 LEU A 44 7.528 4.456 -0.257 1.00 0.00 C ATOM 0 H LEU A 44 6.296 8.399 -2.047 1.00 0.00 H new ATOM 0 HA LEU A 44 8.890 8.242 -1.056 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.991 6.272 -2.320 1.00 0.00 H new ATOM 0 HB3 LEU A 44 8.662 5.788 -2.109 1.00 0.00 H new ATOM 0 HG LEU A 44 8.362 6.320 0.360 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.100 6.206 1.225 1.00 0.00 H new ATOM 0 HD12 LEU A 44 6.368 7.651 0.222 1.00 0.00 H new ATOM 0 HD13 LEU A 44 5.463 6.267 -0.435 1.00 0.00 H new ATOM 0 HD21 LEU A 44 7.303 4.127 0.757 1.00 0.00 H new ATOM 0 HD22 LEU A 44 6.756 4.093 -0.936 1.00 0.00 H new ATOM 0 HD23 LEU A 44 8.496 4.058 -0.562 1.00 0.00 H new ATOM 700 N LYS A 45 10.420 7.522 -2.980 1.00 0.00 N ATOM 701 CA LYS A 45 11.318 7.344 -4.069 1.00 0.00 C ATOM 702 C LYS A 45 11.383 5.851 -4.412 1.00 0.00 C ATOM 703 O LYS A 45 11.962 5.031 -3.678 1.00 0.00 O ATOM 704 CB LYS A 45 12.705 7.927 -3.740 1.00 0.00 C ATOM 705 CG LYS A 45 13.421 7.247 -2.589 1.00 0.00 C ATOM 706 CD LYS A 45 14.645 7.994 -2.146 1.00 0.00 C ATOM 707 CE LYS A 45 15.655 8.232 -3.264 1.00 0.00 C ATOM 708 NZ LYS A 45 16.833 8.974 -2.778 1.00 0.00 N ATOM 0 H LYS A 45 10.828 7.335 -2.064 1.00 0.00 H new ATOM 0 HA LYS A 45 10.958 7.887 -4.942 1.00 0.00 H new ATOM 0 HB2 LYS A 45 13.332 7.862 -4.629 1.00 0.00 H new ATOM 0 HB3 LYS A 45 12.593 8.986 -3.506 1.00 0.00 H new ATOM 0 HG2 LYS A 45 12.736 7.149 -1.747 1.00 0.00 H new ATOM 0 HG3 LYS A 45 13.705 6.238 -2.888 1.00 0.00 H new ATOM 0 HD2 LYS A 45 14.343 8.955 -1.730 1.00 0.00 H new ATOM 0 HD3 LYS A 45 15.129 7.438 -1.343 1.00 0.00 H new ATOM 0 HE2 LYS A 45 15.972 7.275 -3.679 1.00 0.00 H new ATOM 0 HE3 LYS A 45 15.181 8.789 -4.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 17.500 9.119 -3.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 16.532 9.897 -2.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 17.299 8.430 -2.024 1.00 0.00 H new ATOM 722 N ALA A 46 10.784 5.496 -5.502 1.00 0.00 N ATOM 723 CA ALA A 46 10.731 4.112 -5.927 1.00 0.00 C ATOM 724 C ALA A 46 12.050 3.708 -6.570 1.00 0.00 C ATOM 725 O ALA A 46 12.260 2.548 -6.927 1.00 0.00 O ATOM 726 CB ALA A 46 9.574 3.905 -6.878 1.00 0.00 C ATOM 0 H ALA A 46 10.314 6.147 -6.131 1.00 0.00 H new ATOM 0 HA ALA A 46 10.572 3.477 -5.056 1.00 0.00 H new ATOM 0 HB1 ALA A 46 9.543 2.862 -7.192 1.00 0.00 H new ATOM 0 HB2 ALA A 46 8.641 4.161 -6.377 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.703 4.543 -7.752 1.00 0.00 H new ATOM 732 N ALA A 47 12.921 4.690 -6.734 1.00 0.00 N ATOM 733 CA ALA A 47 14.248 4.486 -7.280 1.00 0.00 C ATOM 734 C ALA A 47 15.221 4.035 -6.193 1.00 0.00 C ATOM 735 O ALA A 47 16.368 3.724 -6.472 1.00 0.00 O ATOM 736 CB ALA A 47 14.743 5.760 -7.944 1.00 0.00 C ATOM 0 H ALA A 47 12.722 5.660 -6.489 1.00 0.00 H new ATOM 0 HA ALA A 47 14.193 3.698 -8.031 1.00 0.00 H new ATOM 0 HB1 ALA A 47 15.741 5.594 -8.350 1.00 0.00 H new ATOM 0 HB2 ALA A 47 14.064 6.037 -8.750 1.00 0.00 H new ATOM 0 HB3 ALA A 47 14.780 6.563 -7.208 1.00 0.00 H new ATOM 742 N ASP A 48 14.760 4.012 -4.955 1.00 0.00 N ATOM 743 CA ASP A 48 15.590 3.521 -3.845 1.00 0.00 C ATOM 744 C ASP A 48 14.831 2.498 -3.060 1.00 0.00 C ATOM 745 O ASP A 48 15.373 1.457 -2.656 1.00 0.00 O ATOM 746 CB ASP A 48 16.001 4.646 -2.902 1.00 0.00 C ATOM 747 CG ASP A 48 16.872 4.177 -1.746 1.00 0.00 C ATOM 748 OD1 ASP A 48 18.100 4.147 -1.884 1.00 0.00 O ATOM 749 OD2 ASP A 48 16.339 3.880 -0.661 1.00 0.00 O ATOM 0 H ASP A 48 13.827 4.322 -4.684 1.00 0.00 H new ATOM 0 HA ASP A 48 16.489 3.086 -4.280 1.00 0.00 H new ATOM 0 HB2 ASP A 48 16.540 5.406 -3.468 1.00 0.00 H new ATOM 0 HB3 ASP A 48 15.105 5.121 -2.503 1.00 0.00 H new ATOM 754 N CYS A 49 13.579 2.768 -2.824 1.00 0.00 N ATOM 755 CA CYS A 49 12.812 1.851 -2.035 1.00 0.00 C ATOM 756 C CYS A 49 11.584 1.271 -2.754 1.00 0.00 C ATOM 757 O CYS A 49 11.065 1.839 -3.711 1.00 0.00 O ATOM 758 CB CYS A 49 12.411 2.494 -0.713 1.00 0.00 C ATOM 759 SG CYS A 49 13.775 2.970 0.374 1.00 0.00 S ATOM 0 H CYS A 49 13.079 3.593 -3.157 1.00 0.00 H new ATOM 0 HA CYS A 49 13.467 1.000 -1.847 1.00 0.00 H new ATOM 0 HB2 CYS A 49 11.815 3.381 -0.928 1.00 0.00 H new ATOM 0 HB3 CYS A 49 11.766 1.800 -0.174 1.00 0.00 H new ATOM 0 HG CYS A 49 14.861 3.106 -0.327 1.00 0.00 H new ATOM 765 N ASP A 50 11.164 0.131 -2.250 1.00 0.00 N ATOM 766 CA ASP A 50 10.001 -0.618 -2.675 1.00 0.00 C ATOM 767 C ASP A 50 9.040 -0.565 -1.516 1.00 0.00 C ATOM 768 O ASP A 50 9.417 -0.158 -0.399 1.00 0.00 O ATOM 769 CB ASP A 50 10.376 -2.091 -2.955 1.00 0.00 C ATOM 770 CG ASP A 50 9.236 -2.966 -3.512 1.00 0.00 C ATOM 771 OD1 ASP A 50 8.264 -2.430 -4.124 1.00 0.00 O ATOM 772 OD2 ASP A 50 9.300 -4.207 -3.342 1.00 0.00 O ATOM 0 H ASP A 50 11.657 -0.327 -1.483 1.00 0.00 H new ATOM 0 HA ASP A 50 9.577 -0.203 -3.590 1.00 0.00 H new ATOM 0 HB2 ASP A 50 11.205 -2.110 -3.662 1.00 0.00 H new ATOM 0 HB3 ASP A 50 10.737 -2.539 -2.029 1.00 0.00 H new ATOM 777 N LEU A 51 7.862 -0.974 -1.718 1.00 0.00 N ATOM 778 CA LEU A 51 6.897 -0.851 -0.703 1.00 0.00 C ATOM 779 C LEU A 51 6.391 -2.233 -0.334 1.00 0.00 C ATOM 780 O LEU A 51 5.795 -2.915 -1.138 1.00 0.00 O ATOM 781 CB LEU A 51 5.804 0.083 -1.212 1.00 0.00 C ATOM 782 CG LEU A 51 4.877 0.678 -0.200 1.00 0.00 C ATOM 783 CD1 LEU A 51 5.674 1.416 0.843 1.00 0.00 C ATOM 784 CD2 LEU A 51 3.926 1.632 -0.877 1.00 0.00 C ATOM 0 H LEU A 51 7.533 -1.402 -2.583 1.00 0.00 H new ATOM 0 HA LEU A 51 7.306 -0.417 0.210 1.00 0.00 H new ATOM 0 HB2 LEU A 51 6.284 0.900 -1.750 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.203 -0.466 -1.937 1.00 0.00 H new ATOM 0 HG LEU A 51 4.307 -0.120 0.276 1.00 0.00 H new ATOM 0 HD11 LEU A 51 4.997 1.849 1.579 1.00 0.00 H new ATOM 0 HD12 LEU A 51 6.354 0.723 1.338 1.00 0.00 H new ATOM 0 HD13 LEU A 51 6.248 2.211 0.367 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.253 2.062 -0.135 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.492 2.429 -1.359 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.344 1.095 -1.626 1.00 0.00 H new ATOM 796 N GLN A 52 6.674 -2.666 0.852 1.00 0.00 N ATOM 797 CA GLN A 52 6.273 -3.980 1.245 1.00 0.00 C ATOM 798 C GLN A 52 5.123 -3.901 2.208 1.00 0.00 C ATOM 799 O GLN A 52 5.220 -3.304 3.275 1.00 0.00 O ATOM 800 CB GLN A 52 7.434 -4.759 1.800 1.00 0.00 C ATOM 801 CG GLN A 52 7.140 -6.238 1.983 1.00 0.00 C ATOM 802 CD GLN A 52 8.373 -7.057 2.274 1.00 0.00 C ATOM 803 OE1 GLN A 52 8.455 -8.221 1.915 1.00 0.00 O ATOM 804 NE2 GLN A 52 9.330 -6.474 2.913 1.00 0.00 N ATOM 0 H GLN A 52 7.178 -2.134 1.562 1.00 0.00 H new ATOM 0 HA GLN A 52 5.930 -4.524 0.365 1.00 0.00 H new ATOM 0 HB2 GLN A 52 8.289 -4.647 1.133 1.00 0.00 H new ATOM 0 HB3 GLN A 52 7.721 -4.332 2.761 1.00 0.00 H new ATOM 0 HG2 GLN A 52 6.428 -6.362 2.799 1.00 0.00 H new ATOM 0 HG3 GLN A 52 6.662 -6.621 1.082 1.00 0.00 H new ATOM 0 HE21 GLN A 52 9.232 -5.500 3.200 1.00 0.00 H new ATOM 0 HE22 GLN A 52 10.184 -6.987 3.131 1.00 0.00 H new ATOM 813 N ILE A 53 4.042 -4.490 1.839 1.00 0.00 N ATOM 814 CA ILE A 53 2.834 -4.342 2.586 1.00 0.00 C ATOM 815 C ILE A 53 2.544 -5.623 3.350 1.00 0.00 C ATOM 816 O ILE A 53 2.727 -6.707 2.837 1.00 0.00 O ATOM 817 CB ILE A 53 1.644 -4.027 1.643 1.00 0.00 C ATOM 818 CG1 ILE A 53 1.999 -2.937 0.611 1.00 0.00 C ATOM 819 CG2 ILE A 53 0.409 -3.625 2.431 1.00 0.00 C ATOM 820 CD1 ILE A 53 2.401 -1.598 1.153 1.00 0.00 C ATOM 0 H ILE A 53 3.964 -5.087 1.015 1.00 0.00 H new ATOM 0 HA ILE A 53 2.959 -3.515 3.285 1.00 0.00 H new ATOM 0 HB ILE A 53 1.424 -4.944 1.097 1.00 0.00 H new ATOM 0 HG12 ILE A 53 2.813 -3.310 -0.011 1.00 0.00 H new ATOM 0 HG13 ILE A 53 1.138 -2.795 -0.042 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -0.408 -3.410 1.742 1.00 0.00 H new ATOM 0 HG22 ILE A 53 0.120 -4.440 3.095 1.00 0.00 H new ATOM 0 HG23 ILE A 53 0.628 -2.736 3.022 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.624 -0.923 0.327 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.585 -1.186 1.747 1.00 0.00 H new ATOM 0 HD13 ILE A 53 3.286 -1.710 1.779 1.00 0.00 H new ATOM 832 N THR A 54 2.173 -5.493 4.570 1.00 0.00 N ATOM 833 CA THR A 54 1.781 -6.610 5.378 1.00 0.00 C ATOM 834 C THR A 54 0.318 -6.410 5.763 1.00 0.00 C ATOM 835 O THR A 54 -0.133 -5.308 5.797 1.00 0.00 O ATOM 836 CB THR A 54 2.648 -6.640 6.641 1.00 0.00 C ATOM 837 OG1 THR A 54 4.030 -6.547 6.260 1.00 0.00 O ATOM 838 CG2 THR A 54 2.422 -7.911 7.446 1.00 0.00 C ATOM 0 H THR A 54 2.129 -4.596 5.053 1.00 0.00 H new ATOM 0 HA THR A 54 1.907 -7.548 4.838 1.00 0.00 H new ATOM 0 HB THR A 54 2.370 -5.795 7.271 1.00 0.00 H new ATOM 0 HG1 THR A 54 4.597 -6.723 7.040 1.00 0.00 H new ATOM 0 HG21 THR A 54 3.054 -7.896 8.334 1.00 0.00 H new ATOM 0 HG22 THR A 54 1.376 -7.970 7.746 1.00 0.00 H new ATOM 0 HG23 THR A 54 2.674 -8.778 6.835 1.00 0.00 H new ATOM 846 N ASN A 55 -0.418 -7.453 5.977 1.00 0.00 N ATOM 847 CA ASN A 55 -1.786 -7.320 6.443 1.00 0.00 C ATOM 848 C ASN A 55 -1.757 -7.022 7.935 1.00 0.00 C ATOM 849 O ASN A 55 -0.874 -7.498 8.631 1.00 0.00 O ATOM 850 CB ASN A 55 -2.556 -8.595 6.182 1.00 0.00 C ATOM 851 CG ASN A 55 -4.034 -8.425 6.307 1.00 0.00 C ATOM 852 OD1 ASN A 55 -4.577 -8.475 7.387 1.00 0.00 O ATOM 853 ND2 ASN A 55 -4.691 -8.308 5.226 1.00 0.00 N ATOM 0 H ASN A 55 -0.106 -8.414 5.840 1.00 0.00 H new ATOM 0 HA ASN A 55 -2.282 -6.510 5.909 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -2.322 -8.955 5.180 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -2.224 -9.362 6.882 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -5.709 -8.253 5.251 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -4.200 -8.269 4.333 1.00 0.00 H new ATOM 860 N ALA A 56 -2.685 -6.231 8.420 1.00 0.00 N ATOM 861 CA ALA A 56 -2.707 -5.860 9.835 1.00 0.00 C ATOM 862 C ALA A 56 -3.490 -6.869 10.644 1.00 0.00 C ATOM 863 O ALA A 56 -3.310 -6.996 11.854 1.00 0.00 O ATOM 864 CB ALA A 56 -3.317 -4.481 10.008 1.00 0.00 C ATOM 0 H ALA A 56 -3.439 -5.827 7.864 1.00 0.00 H new ATOM 0 HA ALA A 56 -1.679 -5.846 10.196 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.327 -4.218 11.066 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -2.725 -3.750 9.458 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -4.338 -4.484 9.625 1.00 0.00 H new ATOM 870 N GLN A 57 -4.344 -7.586 9.972 1.00 0.00 N ATOM 871 CA GLN A 57 -5.213 -8.538 10.604 1.00 0.00 C ATOM 872 C GLN A 57 -4.621 -9.944 10.520 1.00 0.00 C ATOM 873 O GLN A 57 -4.529 -10.643 11.517 1.00 0.00 O ATOM 874 CB GLN A 57 -6.589 -8.492 9.928 1.00 0.00 C ATOM 875 CG GLN A 57 -7.239 -7.111 9.956 1.00 0.00 C ATOM 876 CD GLN A 57 -8.518 -7.036 9.145 1.00 0.00 C ATOM 877 OE1 GLN A 57 -8.496 -6.725 7.953 1.00 0.00 O ATOM 878 NE2 GLN A 57 -9.636 -7.290 9.774 1.00 0.00 N ATOM 0 H GLN A 57 -4.458 -7.526 8.960 1.00 0.00 H new ATOM 0 HA GLN A 57 -5.321 -8.282 11.658 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -6.486 -8.815 8.892 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -7.250 -9.205 10.420 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -7.455 -6.839 10.989 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -6.531 -6.375 9.574 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -9.619 -7.545 10.762 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -10.525 -7.233 9.277 1.00 0.00 H new ATOM 887 N THR A 58 -4.195 -10.341 9.335 1.00 0.00 N ATOM 888 CA THR A 58 -3.691 -11.687 9.134 1.00 0.00 C ATOM 889 C THR A 58 -2.176 -11.715 9.294 1.00 0.00 C ATOM 890 O THR A 58 -1.587 -12.758 9.592 1.00 0.00 O ATOM 891 CB THR A 58 -4.056 -12.201 7.717 1.00 0.00 C ATOM 892 OG1 THR A 58 -3.323 -11.460 6.743 1.00 0.00 O ATOM 893 CG2 THR A 58 -5.528 -11.985 7.446 1.00 0.00 C ATOM 0 H THR A 58 -4.188 -9.754 8.501 1.00 0.00 H new ATOM 0 HA THR A 58 -4.151 -12.332 9.883 1.00 0.00 H new ATOM 0 HB THR A 58 -3.816 -13.263 7.662 1.00 0.00 H new ATOM 0 HG1 THR A 58 -3.550 -11.784 5.846 1.00 0.00 H new ATOM 0 HG21 THR A 58 -5.772 -12.350 6.448 1.00 0.00 H new ATOM 0 HG22 THR A 58 -6.117 -12.528 8.185 1.00 0.00 H new ATOM 0 HG23 THR A 58 -5.757 -10.921 7.509 1.00 0.00 H new ATOM 901 N LYS A 59 -1.570 -10.538 9.122 1.00 0.00 N ATOM 902 CA LYS A 59 -0.119 -10.330 9.126 1.00 0.00 C ATOM 903 C LYS A 59 0.561 -10.970 7.906 1.00 0.00 C ATOM 904 O LYS A 59 1.778 -11.159 7.883 1.00 0.00 O ATOM 905 CB LYS A 59 0.540 -10.741 10.456 1.00 0.00 C ATOM 906 CG LYS A 59 -0.030 -10.017 11.687 1.00 0.00 C ATOM 907 CD LYS A 59 -0.012 -8.481 11.552 1.00 0.00 C ATOM 908 CE LYS A 59 1.394 -7.907 11.365 1.00 0.00 C ATOM 909 NZ LYS A 59 2.251 -8.120 12.542 1.00 0.00 N ATOM 0 H LYS A 59 -2.092 -9.675 8.971 1.00 0.00 H new ATOM 0 HA LYS A 59 0.037 -9.255 9.039 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.420 -11.816 10.592 1.00 0.00 H new ATOM 0 HB3 LYS A 59 1.610 -10.545 10.395 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -1.055 -10.348 11.853 1.00 0.00 H new ATOM 0 HG3 LYS A 59 0.544 -10.304 12.568 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -0.632 -8.190 10.704 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -0.462 -8.040 12.441 1.00 0.00 H new ATOM 0 HE2 LYS A 59 1.858 -8.368 10.493 1.00 0.00 H new ATOM 0 HE3 LYS A 59 1.323 -6.839 11.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 3.181 -7.684 12.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 1.808 -7.687 13.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 2.371 -9.140 12.704 1.00 0.00 H new ATOM 923 N GLU A 60 -0.233 -11.238 6.876 1.00 0.00 N ATOM 924 CA GLU A 60 0.269 -11.774 5.618 1.00 0.00 C ATOM 925 C GLU A 60 1.069 -10.692 4.894 1.00 0.00 C ATOM 926 O GLU A 60 0.567 -9.592 4.691 1.00 0.00 O ATOM 927 CB GLU A 60 -0.909 -12.164 4.728 1.00 0.00 C ATOM 928 CG GLU A 60 -0.524 -12.843 3.428 1.00 0.00 C ATOM 929 CD GLU A 60 0.054 -14.203 3.654 1.00 0.00 C ATOM 930 OE1 GLU A 60 1.272 -14.322 3.945 1.00 0.00 O ATOM 931 OE2 GLU A 60 -0.686 -15.181 3.559 1.00 0.00 O ATOM 0 H GLU A 60 -1.242 -11.090 6.890 1.00 0.00 H new ATOM 0 HA GLU A 60 0.896 -12.642 5.822 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -1.566 -12.829 5.289 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -1.485 -11.268 4.497 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -1.403 -12.925 2.788 1.00 0.00 H new ATOM 0 HG3 GLU A 60 0.200 -12.225 2.897 1.00 0.00 H new ATOM 938 N GLU A 61 2.285 -10.981 4.536 1.00 0.00 N ATOM 939 CA GLU A 61 3.077 -10.063 3.805 1.00 0.00 C ATOM 940 C GLU A 61 2.852 -10.221 2.335 1.00 0.00 C ATOM 941 O GLU A 61 2.940 -11.325 1.789 1.00 0.00 O ATOM 942 CB GLU A 61 4.533 -10.214 4.148 1.00 0.00 C ATOM 943 CG GLU A 61 4.854 -9.624 5.480 1.00 0.00 C ATOM 944 CD GLU A 61 6.272 -9.804 5.901 1.00 0.00 C ATOM 945 OE1 GLU A 61 7.132 -9.001 5.500 1.00 0.00 O ATOM 946 OE2 GLU A 61 6.552 -10.725 6.684 1.00 0.00 O ATOM 0 H GLU A 61 2.748 -11.865 4.748 1.00 0.00 H new ATOM 0 HA GLU A 61 2.772 -9.055 4.086 1.00 0.00 H new ATOM 0 HB2 GLU A 61 4.799 -11.271 4.145 1.00 0.00 H new ATOM 0 HB3 GLU A 61 5.139 -9.731 3.381 1.00 0.00 H new ATOM 0 HG2 GLU A 61 4.626 -8.558 5.458 1.00 0.00 H new ATOM 0 HG3 GLU A 61 4.204 -10.074 6.230 1.00 0.00 H new ATOM 953 N TYR A 62 2.551 -9.136 1.715 1.00 0.00 N ATOM 954 CA TYR A 62 2.305 -9.092 0.310 1.00 0.00 C ATOM 955 C TYR A 62 3.598 -8.753 -0.376 1.00 0.00 C ATOM 956 O TYR A 62 4.053 -7.601 -0.362 1.00 0.00 O ATOM 957 CB TYR A 62 1.223 -8.072 -0.027 1.00 0.00 C ATOM 958 CG TYR A 62 -0.057 -8.304 0.731 1.00 0.00 C ATOM 959 CD1 TYR A 62 -0.920 -9.327 0.376 1.00 0.00 C ATOM 960 CD2 TYR A 62 -0.397 -7.502 1.808 1.00 0.00 C ATOM 961 CE1 TYR A 62 -2.085 -9.544 1.069 1.00 0.00 C ATOM 962 CE2 TYR A 62 -1.558 -7.713 2.507 1.00 0.00 C ATOM 963 CZ TYR A 62 -2.399 -8.734 2.135 1.00 0.00 C ATOM 964 OH TYR A 62 -3.559 -8.942 2.831 1.00 0.00 O ATOM 0 H TYR A 62 2.466 -8.231 2.177 1.00 0.00 H new ATOM 0 HA TYR A 62 1.942 -10.061 -0.034 1.00 0.00 H new ATOM 0 HB2 TYR A 62 1.593 -7.071 0.193 1.00 0.00 H new ATOM 0 HB3 TYR A 62 1.017 -8.108 -1.097 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -0.673 -9.965 -0.460 1.00 0.00 H new ATOM 0 HD2 TYR A 62 0.262 -6.698 2.102 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -2.750 -10.344 0.779 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -1.810 -7.080 3.345 1.00 0.00 H new ATOM 0 HH TYR A 62 -3.793 -9.893 2.799 1.00 0.00 H new ATOM 974 N THR A 63 4.212 -9.753 -0.898 1.00 0.00 N ATOM 975 CA THR A 63 5.483 -9.626 -1.511 1.00 0.00 C ATOM 976 C THR A 63 5.368 -9.535 -3.041 1.00 0.00 C ATOM 977 O THR A 63 6.103 -8.776 -3.689 1.00 0.00 O ATOM 978 CB THR A 63 6.353 -10.818 -1.080 1.00 0.00 C ATOM 979 OG1 THR A 63 5.607 -12.044 -1.278 1.00 0.00 O ATOM 980 CG2 THR A 63 6.731 -10.699 0.397 1.00 0.00 C ATOM 0 H THR A 63 3.837 -10.701 -0.911 1.00 0.00 H new ATOM 0 HA THR A 63 5.951 -8.697 -1.185 1.00 0.00 H new ATOM 0 HB THR A 63 7.263 -10.826 -1.679 1.00 0.00 H new ATOM 0 HG1 THR A 63 6.157 -12.809 -1.007 1.00 0.00 H new ATOM 0 HG21 THR A 63 7.347 -11.551 0.685 1.00 0.00 H new ATOM 0 HG22 THR A 63 7.290 -9.777 0.556 1.00 0.00 H new ATOM 0 HG23 THR A 63 5.826 -10.684 1.004 1.00 0.00 H new ATOM 988 N ASP A 64 4.415 -10.262 -3.606 1.00 0.00 N ATOM 989 CA ASP A 64 4.223 -10.287 -5.056 1.00 0.00 C ATOM 990 C ASP A 64 3.340 -9.128 -5.433 1.00 0.00 C ATOM 991 O ASP A 64 2.314 -8.920 -4.802 1.00 0.00 O ATOM 992 CB ASP A 64 3.517 -11.561 -5.489 1.00 0.00 C ATOM 993 CG ASP A 64 3.778 -11.898 -6.915 1.00 0.00 C ATOM 994 OD1 ASP A 64 3.028 -11.441 -7.761 1.00 0.00 O ATOM 995 OD2 ASP A 64 4.724 -12.653 -7.208 1.00 0.00 O ATOM 0 H ASP A 64 3.760 -10.845 -3.085 1.00 0.00 H new ATOM 0 HA ASP A 64 5.199 -10.233 -5.539 1.00 0.00 H new ATOM 0 HB2 ASP A 64 3.844 -12.387 -4.858 1.00 0.00 H new ATOM 0 HB3 ASP A 64 2.444 -11.448 -5.336 1.00 0.00 H new ATOM 1000 N ASP A 65 3.684 -8.411 -6.485 1.00 0.00 N ATOM 1001 CA ASP A 65 2.939 -7.193 -6.898 1.00 0.00 C ATOM 1002 C ASP A 65 1.538 -7.514 -7.375 1.00 0.00 C ATOM 1003 O ASP A 65 0.694 -6.618 -7.525 1.00 0.00 O ATOM 1004 CB ASP A 65 3.666 -6.424 -8.007 1.00 0.00 C ATOM 1005 CG ASP A 65 5.051 -5.970 -7.628 1.00 0.00 C ATOM 1006 OD1 ASP A 65 5.957 -6.817 -7.481 1.00 0.00 O ATOM 1007 OD2 ASP A 65 5.264 -4.765 -7.432 1.00 0.00 O ATOM 0 H ASP A 65 4.477 -8.636 -7.086 1.00 0.00 H new ATOM 0 HA ASP A 65 2.880 -6.571 -6.005 1.00 0.00 H new ATOM 0 HB2 ASP A 65 3.731 -7.057 -8.892 1.00 0.00 H new ATOM 0 HB3 ASP A 65 3.071 -5.553 -8.282 1.00 0.00 H new ATOM 1012 N ASN A 66 1.289 -8.777 -7.593 1.00 0.00 N ATOM 1013 CA ASN A 66 0.015 -9.239 -8.087 1.00 0.00 C ATOM 1014 C ASN A 66 -0.918 -9.570 -6.944 1.00 0.00 C ATOM 1015 O ASN A 66 -2.058 -9.977 -7.167 1.00 0.00 O ATOM 1016 CB ASN A 66 0.202 -10.451 -8.985 1.00 0.00 C ATOM 1017 CG ASN A 66 1.091 -10.150 -10.177 1.00 0.00 C ATOM 1018 OD1 ASN A 66 0.620 -9.741 -11.246 1.00 0.00 O ATOM 1019 ND2 ASN A 66 2.375 -10.329 -9.994 1.00 0.00 N ATOM 0 H ASN A 66 1.968 -9.521 -7.432 1.00 0.00 H new ATOM 0 HA ASN A 66 -0.434 -8.436 -8.672 1.00 0.00 H new ATOM 0 HB2 ASN A 66 0.637 -11.266 -8.406 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -0.771 -10.794 -9.337 1.00 0.00 H new ATOM 0 HD21 ASN A 66 3.031 -10.129 -10.750 1.00 0.00 H new ATOM 0 HD22 ASN A 66 2.720 -10.668 -9.096 1.00 0.00 H new ATOM 1026 N ALA A 67 -0.426 -9.418 -5.715 1.00 0.00 N ATOM 1027 CA ALA A 67 -1.252 -9.588 -4.533 1.00 0.00 C ATOM 1028 C ALA A 67 -2.315 -8.505 -4.527 1.00 0.00 C ATOM 1029 O ALA A 67 -2.082 -7.440 -5.053 1.00 0.00 O ATOM 1030 CB ALA A 67 -0.402 -9.499 -3.284 1.00 0.00 C ATOM 0 H ALA A 67 0.545 -9.176 -5.518 1.00 0.00 H new ATOM 0 HA ALA A 67 -1.726 -10.569 -4.550 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -1.033 -9.628 -2.405 1.00 0.00 H new ATOM 0 HB2 ALA A 67 0.357 -10.281 -3.304 1.00 0.00 H new ATOM 0 HB3 ALA A 67 0.083 -8.524 -3.243 1.00 0.00 H new ATOM 1036 N LEU A 68 -3.467 -8.776 -4.002 1.00 0.00 N ATOM 1037 CA LEU A 68 -4.535 -7.795 -4.012 1.00 0.00 C ATOM 1038 C LEU A 68 -4.940 -7.430 -2.598 1.00 0.00 C ATOM 1039 O LEU A 68 -5.003 -8.308 -1.725 1.00 0.00 O ATOM 1040 CB LEU A 68 -5.728 -8.306 -4.840 1.00 0.00 C ATOM 1041 CG LEU A 68 -6.546 -9.458 -4.243 1.00 0.00 C ATOM 1042 CD1 LEU A 68 -7.690 -8.924 -3.420 1.00 0.00 C ATOM 1043 CD2 LEU A 68 -7.033 -10.410 -5.316 1.00 0.00 C ATOM 0 H LEU A 68 -3.704 -9.663 -3.559 1.00 0.00 H new ATOM 0 HA LEU A 68 -4.172 -6.884 -4.489 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -6.402 -7.468 -5.017 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.354 -8.625 -5.813 1.00 0.00 H new ATOM 0 HG LEU A 68 -5.892 -10.028 -3.584 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -8.259 -9.756 -3.005 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -7.299 -8.311 -2.608 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -8.341 -8.319 -4.051 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -7.609 -11.213 -4.856 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -7.664 -9.870 -6.022 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -6.178 -10.833 -5.843 1.00 0.00 H new ATOM 1055 N ILE A 69 -5.161 -6.161 -2.342 1.00 0.00 N ATOM 1056 CA ILE A 69 -5.647 -5.769 -1.041 1.00 0.00 C ATOM 1057 C ILE A 69 -7.044 -5.154 -1.168 1.00 0.00 C ATOM 1058 O ILE A 69 -7.244 -4.177 -1.893 1.00 0.00 O ATOM 1059 CB ILE A 69 -4.700 -4.799 -0.236 1.00 0.00 C ATOM 1060 CG1 ILE A 69 -3.309 -5.417 0.024 1.00 0.00 C ATOM 1061 CG2 ILE A 69 -5.339 -4.388 1.096 1.00 0.00 C ATOM 1062 CD1 ILE A 69 -2.339 -5.349 -1.138 1.00 0.00 C ATOM 0 H ILE A 69 -5.016 -5.397 -3.002 1.00 0.00 H new ATOM 0 HA ILE A 69 -5.678 -6.688 -0.456 1.00 0.00 H new ATOM 0 HB ILE A 69 -4.562 -3.915 -0.859 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -2.860 -4.912 0.880 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -3.441 -6.462 0.304 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -4.665 -3.719 1.632 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -6.282 -3.876 0.905 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -5.524 -5.276 1.700 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -1.394 -5.810 -0.851 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -2.757 -5.881 -1.993 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -2.167 -4.307 -1.408 1.00 0.00 H new ATOM 1074 N PRO A 70 -8.030 -5.772 -0.537 1.00 0.00 N ATOM 1075 CA PRO A 70 -9.390 -5.264 -0.501 1.00 0.00 C ATOM 1076 C PRO A 70 -9.607 -4.221 0.589 1.00 0.00 C ATOM 1077 O PRO A 70 -8.919 -4.210 1.610 1.00 0.00 O ATOM 1078 CB PRO A 70 -10.201 -6.512 -0.176 1.00 0.00 C ATOM 1079 CG PRO A 70 -9.283 -7.332 0.668 1.00 0.00 C ATOM 1080 CD PRO A 70 -7.901 -7.060 0.170 1.00 0.00 C ATOM 0 HA PRO A 70 -9.660 -4.765 -1.432 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -11.118 -6.264 0.358 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -10.493 -7.045 -1.081 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -9.377 -7.063 1.720 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -9.524 -8.392 0.588 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -7.185 -6.997 0.990 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -7.553 -7.849 -0.496 1.00 0.00 H new ATOM 1088 N LYS A 71 -10.636 -3.394 0.398 1.00 0.00 N ATOM 1089 CA LYS A 71 -11.049 -2.368 1.381 1.00 0.00 C ATOM 1090 C LYS A 71 -11.722 -3.016 2.591 1.00 0.00 C ATOM 1091 O LYS A 71 -12.244 -2.357 3.488 1.00 0.00 O ATOM 1092 CB LYS A 71 -11.965 -1.337 0.693 1.00 0.00 C ATOM 1093 CG LYS A 71 -13.124 -1.943 -0.105 1.00 0.00 C ATOM 1094 CD LYS A 71 -14.363 -2.276 0.728 1.00 0.00 C ATOM 1095 CE LYS A 71 -15.149 -1.028 1.115 1.00 0.00 C ATOM 1096 NZ LYS A 71 -15.757 -0.352 -0.067 1.00 0.00 N ATOM 0 H LYS A 71 -11.214 -3.410 -0.442 1.00 0.00 H new ATOM 0 HA LYS A 71 -10.168 -1.845 1.753 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -12.374 -0.670 1.452 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -11.361 -0.725 0.023 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -13.409 -1.246 -0.894 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -12.775 -2.853 -0.594 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -15.008 -2.949 0.163 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -14.060 -2.807 1.630 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -15.935 -1.300 1.819 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -14.488 -0.330 1.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -16.194 0.543 0.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -15.019 -0.158 -0.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -16.483 -0.969 -0.484 1.00 0.00 H new ATOM 1110 N ASN A 72 -11.740 -4.314 2.556 1.00 0.00 N ATOM 1111 CA ASN A 72 -12.251 -5.132 3.624 1.00 0.00 C ATOM 1112 C ASN A 72 -11.159 -5.413 4.629 1.00 0.00 C ATOM 1113 O ASN A 72 -11.435 -5.762 5.773 1.00 0.00 O ATOM 1114 CB ASN A 72 -12.803 -6.459 3.084 1.00 0.00 C ATOM 1115 CG ASN A 72 -14.030 -6.301 2.199 1.00 0.00 C ATOM 1116 OD1 ASN A 72 -14.228 -7.062 1.253 1.00 0.00 O ATOM 1117 ND2 ASN A 72 -14.873 -5.349 2.506 1.00 0.00 N ATOM 0 H ASN A 72 -11.391 -4.852 1.763 1.00 0.00 H new ATOM 0 HA ASN A 72 -13.062 -4.588 4.108 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -12.020 -6.963 2.517 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -13.054 -7.106 3.925 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -15.722 -5.222 1.955 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -14.681 -4.733 3.296 1.00 0.00 H new ATOM 1124 N SER A 73 -9.925 -5.230 4.216 1.00 0.00 N ATOM 1125 CA SER A 73 -8.804 -5.556 5.040 1.00 0.00 C ATOM 1126 C SER A 73 -7.986 -4.322 5.393 1.00 0.00 C ATOM 1127 O SER A 73 -7.976 -3.330 4.664 1.00 0.00 O ATOM 1128 CB SER A 73 -7.942 -6.603 4.337 1.00 0.00 C ATOM 1129 OG SER A 73 -8.701 -7.785 4.081 1.00 0.00 O ATOM 0 H SER A 73 -9.680 -4.852 3.301 1.00 0.00 H new ATOM 0 HA SER A 73 -9.174 -5.968 5.979 1.00 0.00 H new ATOM 0 HB2 SER A 73 -7.560 -6.199 3.400 1.00 0.00 H new ATOM 0 HB3 SER A 73 -7.077 -6.845 4.955 1.00 0.00 H new ATOM 0 HG SER A 73 -8.135 -8.445 3.629 1.00 0.00 H new ATOM 1135 N SER A 74 -7.347 -4.382 6.528 1.00 0.00 N ATOM 1136 CA SER A 74 -6.474 -3.343 6.965 1.00 0.00 C ATOM 1137 C SER A 74 -5.050 -3.864 6.796 1.00 0.00 C ATOM 1138 O SER A 74 -4.780 -5.042 7.087 1.00 0.00 O ATOM 1139 CB SER A 74 -6.766 -3.003 8.439 1.00 0.00 C ATOM 1140 OG SER A 74 -6.061 -1.869 8.871 1.00 0.00 O ATOM 0 H SER A 74 -7.422 -5.164 7.178 1.00 0.00 H new ATOM 0 HA SER A 74 -6.615 -2.431 6.386 1.00 0.00 H new ATOM 0 HB2 SER A 74 -7.835 -2.834 8.566 1.00 0.00 H new ATOM 0 HB3 SER A 74 -6.501 -3.854 9.066 1.00 0.00 H new ATOM 0 HG SER A 74 -5.737 -1.369 8.093 1.00 0.00 H new ATOM 1146 N VAL A 75 -4.158 -3.036 6.304 1.00 0.00 N ATOM 1147 CA VAL A 75 -2.798 -3.453 6.063 1.00 0.00 C ATOM 1148 C VAL A 75 -1.754 -2.497 6.701 1.00 0.00 C ATOM 1149 O VAL A 75 -2.050 -1.354 7.042 1.00 0.00 O ATOM 1150 CB VAL A 75 -2.510 -3.695 4.534 1.00 0.00 C ATOM 1151 CG1 VAL A 75 -3.332 -4.858 4.000 1.00 0.00 C ATOM 1152 CG2 VAL A 75 -2.811 -2.471 3.694 1.00 0.00 C ATOM 0 H VAL A 75 -4.352 -2.064 6.062 1.00 0.00 H new ATOM 0 HA VAL A 75 -2.686 -4.414 6.566 1.00 0.00 H new ATOM 0 HB VAL A 75 -1.447 -3.922 4.459 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -3.113 -5.003 2.942 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -3.080 -5.765 4.550 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -4.393 -4.641 4.125 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -2.597 -2.687 2.647 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -3.863 -2.205 3.802 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -2.190 -1.639 4.027 1.00 0.00 H new ATOM 1162 N ILE A 76 -0.567 -3.008 6.884 1.00 0.00 N ATOM 1163 CA ILE A 76 0.564 -2.308 7.453 1.00 0.00 C ATOM 1164 C ILE A 76 1.548 -2.076 6.328 1.00 0.00 C ATOM 1165 O ILE A 76 1.930 -3.016 5.634 1.00 0.00 O ATOM 1166 CB ILE A 76 1.275 -3.178 8.545 1.00 0.00 C ATOM 1167 CG1 ILE A 76 0.303 -3.609 9.652 1.00 0.00 C ATOM 1168 CG2 ILE A 76 2.483 -2.448 9.145 1.00 0.00 C ATOM 1169 CD1 ILE A 76 -0.327 -2.465 10.416 1.00 0.00 C ATOM 0 H ILE A 76 -0.346 -3.971 6.629 1.00 0.00 H new ATOM 0 HA ILE A 76 0.226 -1.380 7.914 1.00 0.00 H new ATOM 0 HB ILE A 76 1.634 -4.078 8.047 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.489 -4.212 9.208 1.00 0.00 H new ATOM 0 HG13 ILE A 76 0.835 -4.250 10.356 1.00 0.00 H new ATOM 0 HG21 ILE A 76 2.952 -3.080 9.899 1.00 0.00 H new ATOM 0 HG22 ILE A 76 3.203 -2.227 8.357 1.00 0.00 H new ATOM 0 HG23 ILE A 76 2.153 -1.517 9.606 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -0.998 -2.862 11.177 1.00 0.00 H new ATOM 0 HD12 ILE A 76 0.454 -1.873 10.894 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -0.891 -1.835 9.728 1.00 0.00 H new ATOM 1181 N VAL A 77 1.943 -0.870 6.136 1.00 0.00 N ATOM 1182 CA VAL A 77 2.832 -0.539 5.059 1.00 0.00 C ATOM 1183 C VAL A 77 4.247 -0.375 5.585 1.00 0.00 C ATOM 1184 O VAL A 77 4.489 0.432 6.495 1.00 0.00 O ATOM 1185 CB VAL A 77 2.369 0.752 4.373 1.00 0.00 C ATOM 1186 CG1 VAL A 77 3.260 1.108 3.221 1.00 0.00 C ATOM 1187 CG2 VAL A 77 0.946 0.601 3.909 1.00 0.00 C ATOM 0 H VAL A 77 1.665 -0.078 6.715 1.00 0.00 H new ATOM 0 HA VAL A 77 2.820 -1.348 4.329 1.00 0.00 H new ATOM 0 HB VAL A 77 2.426 1.564 5.098 1.00 0.00 H new ATOM 0 HG11 VAL A 77 2.904 2.028 2.757 1.00 0.00 H new ATOM 0 HG12 VAL A 77 4.279 1.253 3.580 1.00 0.00 H new ATOM 0 HG13 VAL A 77 3.246 0.302 2.487 1.00 0.00 H new ATOM 0 HG21 VAL A 77 0.622 1.521 3.422 1.00 0.00 H new ATOM 0 HG22 VAL A 77 0.880 -0.226 3.202 1.00 0.00 H new ATOM 0 HG23 VAL A 77 0.303 0.398 4.766 1.00 0.00 H new ATOM 1197 N ARG A 78 5.165 -1.137 5.034 1.00 0.00 N ATOM 1198 CA ARG A 78 6.536 -1.102 5.455 1.00 0.00 C ATOM 1199 C ARG A 78 7.439 -0.773 4.261 1.00 0.00 C ATOM 1200 O ARG A 78 7.404 -1.443 3.233 1.00 0.00 O ATOM 1201 CB ARG A 78 6.910 -2.450 6.093 1.00 0.00 C ATOM 1202 CG ARG A 78 8.295 -2.473 6.729 1.00 0.00 C ATOM 1203 CD ARG A 78 8.565 -3.770 7.491 1.00 0.00 C ATOM 1204 NE ARG A 78 9.031 -4.895 6.643 1.00 0.00 N ATOM 1205 CZ ARG A 78 8.346 -6.036 6.406 1.00 0.00 C ATOM 1206 NH1 ARG A 78 7.055 -6.127 6.684 1.00 0.00 N ATOM 1207 NH2 ARG A 78 8.955 -7.085 5.882 1.00 0.00 N ATOM 0 H ARG A 78 4.975 -1.798 4.280 1.00 0.00 H new ATOM 0 HA ARG A 78 6.676 -0.321 6.203 1.00 0.00 H new ATOM 0 HB2 ARG A 78 6.169 -2.699 6.852 1.00 0.00 H new ATOM 0 HB3 ARG A 78 6.859 -3.228 5.331 1.00 0.00 H new ATOM 0 HG2 ARG A 78 9.050 -2.347 5.953 1.00 0.00 H new ATOM 0 HG3 ARG A 78 8.393 -1.628 7.410 1.00 0.00 H new ATOM 0 HD2 ARG A 78 9.313 -3.576 8.259 1.00 0.00 H new ATOM 0 HD3 ARG A 78 7.652 -4.072 8.004 1.00 0.00 H new ATOM 0 HE ARG A 78 9.946 -4.799 6.202 1.00 0.00 H new ATOM 0 HH11 ARG A 78 6.562 -5.328 7.083 1.00 0.00 H new ATOM 0 HH12 ARG A 78 6.553 -6.996 6.499 1.00 0.00 H new ATOM 0 HH21 ARG A 78 9.948 -7.037 5.654 1.00 0.00 H new ATOM 0 HH22 ARG A 78 8.432 -7.943 5.706 1.00 0.00 H new ATOM 1221 N ARG A 79 8.227 0.253 4.393 1.00 0.00 N ATOM 1222 CA ARG A 79 9.105 0.692 3.315 1.00 0.00 C ATOM 1223 C ARG A 79 10.390 -0.123 3.330 1.00 0.00 C ATOM 1224 O ARG A 79 11.109 -0.134 4.332 1.00 0.00 O ATOM 1225 CB ARG A 79 9.402 2.193 3.468 1.00 0.00 C ATOM 1226 CG ARG A 79 10.415 2.758 2.483 1.00 0.00 C ATOM 1227 CD ARG A 79 10.591 4.254 2.691 1.00 0.00 C ATOM 1228 NE ARG A 79 11.691 4.812 1.887 1.00 0.00 N ATOM 1229 CZ ARG A 79 11.764 6.089 1.463 1.00 0.00 C ATOM 1230 NH1 ARG A 79 10.736 6.912 1.627 1.00 0.00 N ATOM 1231 NH2 ARG A 79 12.864 6.535 0.873 1.00 0.00 N ATOM 0 H ARG A 79 8.290 0.816 5.241 1.00 0.00 H new ATOM 0 HA ARG A 79 8.613 0.534 2.355 1.00 0.00 H new ATOM 0 HB2 ARG A 79 8.468 2.744 3.360 1.00 0.00 H new ATOM 0 HB3 ARG A 79 9.764 2.374 4.480 1.00 0.00 H new ATOM 0 HG2 ARG A 79 11.373 2.253 2.609 1.00 0.00 H new ATOM 0 HG3 ARG A 79 10.084 2.564 1.463 1.00 0.00 H new ATOM 0 HD2 ARG A 79 9.663 4.764 2.434 1.00 0.00 H new ATOM 0 HD3 ARG A 79 10.781 4.450 3.746 1.00 0.00 H new ATOM 0 HE ARG A 79 12.454 4.185 1.632 1.00 0.00 H new ATOM 0 HH11 ARG A 79 9.883 6.579 2.077 1.00 0.00 H new ATOM 0 HH12 ARG A 79 10.799 7.877 1.303 1.00 0.00 H new ATOM 0 HH21 ARG A 79 13.659 5.911 0.738 1.00 0.00 H new ATOM 0 HH22 ARG A 79 12.915 7.502 0.554 1.00 0.00 H new ATOM 1245 N ILE A 80 10.671 -0.818 2.247 1.00 0.00 N ATOM 1246 CA ILE A 80 11.862 -1.654 2.170 1.00 0.00 C ATOM 1247 C ILE A 80 12.698 -1.251 0.948 1.00 0.00 C ATOM 1248 O ILE A 80 12.164 -0.700 0.024 1.00 0.00 O ATOM 1249 CB ILE A 80 11.486 -3.191 2.168 1.00 0.00 C ATOM 1250 CG1 ILE A 80 10.684 -3.635 0.933 1.00 0.00 C ATOM 1251 CG2 ILE A 80 10.683 -3.540 3.402 1.00 0.00 C ATOM 1252 CD1 ILE A 80 11.519 -4.087 -0.237 1.00 0.00 C ATOM 0 H ILE A 80 10.094 -0.824 1.406 1.00 0.00 H new ATOM 0 HA ILE A 80 12.471 -1.493 3.059 1.00 0.00 H new ATOM 0 HB ILE A 80 12.439 -3.720 2.152 1.00 0.00 H new ATOM 0 HG12 ILE A 80 10.020 -4.449 1.223 1.00 0.00 H new ATOM 0 HG13 ILE A 80 10.052 -2.807 0.611 1.00 0.00 H new ATOM 0 HG21 ILE A 80 10.432 -4.601 3.385 1.00 0.00 H new ATOM 0 HG22 ILE A 80 11.271 -3.320 4.293 1.00 0.00 H new ATOM 0 HG23 ILE A 80 9.766 -2.951 3.418 1.00 0.00 H new ATOM 0 HD11 ILE A 80 10.866 -4.380 -1.059 1.00 0.00 H new ATOM 0 HD12 ILE A 80 12.165 -3.270 -0.560 1.00 0.00 H new ATOM 0 HD13 ILE A 80 12.132 -4.938 0.060 1.00 0.00 H new ATOM 1264 N PRO A 81 14.010 -1.470 0.944 1.00 0.00 N ATOM 1265 CA PRO A 81 14.863 -1.110 -0.210 1.00 0.00 C ATOM 1266 C PRO A 81 14.596 -2.013 -1.426 1.00 0.00 C ATOM 1267 O PRO A 81 14.438 -3.219 -1.273 1.00 0.00 O ATOM 1268 CB PRO A 81 16.278 -1.372 0.315 1.00 0.00 C ATOM 1269 CG PRO A 81 16.092 -2.399 1.374 1.00 0.00 C ATOM 1270 CD PRO A 81 14.794 -2.064 2.041 1.00 0.00 C ATOM 0 HA PRO A 81 14.686 -0.089 -0.548 1.00 0.00 H new ATOM 0 HB2 PRO A 81 16.936 -1.731 -0.476 1.00 0.00 H new ATOM 0 HB3 PRO A 81 16.728 -0.464 0.716 1.00 0.00 H new ATOM 0 HG2 PRO A 81 16.065 -3.401 0.947 1.00 0.00 H new ATOM 0 HG3 PRO A 81 16.916 -2.379 2.088 1.00 0.00 H new ATOM 0 HD2 PRO A 81 14.309 -2.950 2.452 1.00 0.00 H new ATOM 0 HD3 PRO A 81 14.931 -1.365 2.866 1.00 0.00 H new