USER MOD reduce.3.24.130724 H: found=0, std=0, add=366, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 366 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 TYR OH : rot 165:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -0.383 K(o=-0.38,f=-4.2!) USER MOD Single : A 15 TYR OH : rot 165:sc= -0.446 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= -2.02! C(o=-2!,f=-2.8!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.00421 USER MOD Single : A 30 ASN : amide:sc= -2.15! C(o=-2.1!,f=-0.73!) USER MOD Single : A 34 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 HIS : no HD1:sc= -3.05! K(o=-3.1!,f=-1.9) USER MOD Single : A 43 ASN : amide:sc= -3.99! C(o=-4!,f=-11!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 160:sc= -1.8! USER MOD Single : A 47 MET CE :methyl 178:sc= -5.01! (180deg=-5.11!) USER MOD Single : A 53 GLN : amide:sc= -0.74 K(o=-0.74,f=0) USER MOD ----------------------------------------------------------------- ATOM 82 N SER A 7 12.728 1.970 3.809 1.00 0.00 N ATOM 83 CA SER A 7 13.881 1.641 2.923 1.00 0.00 C ATOM 84 C SER A 7 13.580 0.377 2.113 1.00 0.00 C ATOM 85 O SER A 7 13.318 -0.675 2.661 1.00 0.00 O ATOM 86 CB SER A 7 15.055 1.404 3.872 1.00 0.00 C ATOM 87 OG SER A 7 16.057 0.648 3.207 1.00 0.00 O ATOM 0 HA SER A 7 14.092 2.435 2.206 1.00 0.00 H new ATOM 0 HB2 SER A 7 15.465 2.357 4.205 1.00 0.00 H new ATOM 0 HB3 SER A 7 14.716 0.874 4.762 1.00 0.00 H new ATOM 0 HG SER A 7 16.811 0.497 3.815 1.00 0.00 H new ATOM 93 N TYR A 8 13.614 0.471 0.811 1.00 0.00 N ATOM 94 CA TYR A 8 13.329 -0.727 -0.031 1.00 0.00 C ATOM 95 C TYR A 8 14.123 -1.933 0.478 1.00 0.00 C ATOM 96 O TYR A 8 13.574 -2.988 0.729 1.00 0.00 O ATOM 97 CB TYR A 8 13.781 -0.341 -1.439 1.00 0.00 C ATOM 98 CG TYR A 8 12.983 0.850 -1.913 1.00 0.00 C ATOM 99 CD1 TYR A 8 11.588 0.851 -1.792 1.00 0.00 C ATOM 100 CD2 TYR A 8 13.637 1.952 -2.474 1.00 0.00 C ATOM 101 CE1 TYR A 8 10.848 1.954 -2.231 1.00 0.00 C ATOM 102 CE2 TYR A 8 12.897 3.057 -2.914 1.00 0.00 C ATOM 103 CZ TYR A 8 11.502 3.058 -2.792 1.00 0.00 C ATOM 104 OH TYR A 8 10.773 4.146 -3.225 1.00 0.00 O ATOM 0 H TYR A 8 13.827 1.324 0.294 1.00 0.00 H new ATOM 0 HA TYR A 8 12.276 -1.008 -0.005 1.00 0.00 H new ATOM 0 HB2 TYR A 8 14.845 -0.103 -1.439 1.00 0.00 H new ATOM 0 HB3 TYR A 8 13.642 -1.180 -2.120 1.00 0.00 H new ATOM 0 HD1 TYR A 8 11.083 -0.000 -1.360 1.00 0.00 H new ATOM 0 HD2 TYR A 8 14.713 1.951 -2.568 1.00 0.00 H new ATOM 0 HE1 TYR A 8 9.772 1.954 -2.137 1.00 0.00 H new ATOM 0 HE2 TYR A 8 13.402 3.908 -3.347 1.00 0.00 H new ATOM 0 HH TYR A 8 11.373 4.909 -3.361 1.00 0.00 H new ATOM 114 N ALA A 9 15.411 -1.788 0.633 1.00 0.00 N ATOM 115 CA ALA A 9 16.235 -2.927 1.126 1.00 0.00 C ATOM 116 C ALA A 9 15.540 -3.602 2.312 1.00 0.00 C ATOM 117 O ALA A 9 15.700 -4.783 2.548 1.00 0.00 O ATOM 118 CB ALA A 9 17.558 -2.301 1.564 1.00 0.00 C ATOM 0 H ALA A 9 15.928 -0.930 0.439 1.00 0.00 H new ATOM 0 HA ALA A 9 16.382 -3.692 0.364 1.00 0.00 H new ATOM 0 HB1 ALA A 9 18.222 -3.079 1.941 1.00 0.00 H new ATOM 0 HB2 ALA A 9 18.026 -1.806 0.713 1.00 0.00 H new ATOM 0 HB3 ALA A 9 17.372 -1.570 2.351 1.00 0.00 H new ATOM 124 N GLU A 10 14.765 -2.860 3.053 1.00 0.00 N ATOM 125 CA GLU A 10 14.053 -3.458 4.219 1.00 0.00 C ATOM 126 C GLU A 10 12.649 -3.899 3.798 1.00 0.00 C ATOM 127 O GLU A 10 12.133 -4.896 4.261 1.00 0.00 O ATOM 128 CB GLU A 10 13.979 -2.338 5.257 1.00 0.00 C ATOM 129 CG GLU A 10 13.537 -2.916 6.602 1.00 0.00 C ATOM 130 CD GLU A 10 13.272 -1.774 7.586 1.00 0.00 C ATOM 131 OE1 GLU A 10 13.583 -0.643 7.249 1.00 0.00 O ATOM 132 OE2 GLU A 10 12.761 -2.050 8.660 1.00 0.00 O ATOM 0 H GLU A 10 14.593 -1.866 2.903 1.00 0.00 H new ATOM 0 HA GLU A 10 14.561 -4.338 4.612 1.00 0.00 H new ATOM 0 HB2 GLU A 10 14.952 -1.857 5.358 1.00 0.00 H new ATOM 0 HB3 GLU A 10 13.277 -1.571 4.930 1.00 0.00 H new ATOM 0 HG2 GLU A 10 12.636 -3.516 6.474 1.00 0.00 H new ATOM 0 HG3 GLU A 10 14.308 -3.578 6.996 1.00 0.00 H new ATOM 139 N LEU A 11 12.033 -3.164 2.913 1.00 0.00 N ATOM 140 CA LEU A 11 10.668 -3.540 2.448 1.00 0.00 C ATOM 141 C LEU A 11 10.755 -4.769 1.548 1.00 0.00 C ATOM 142 O LEU A 11 10.174 -5.801 1.825 1.00 0.00 O ATOM 143 CB LEU A 11 10.171 -2.330 1.658 1.00 0.00 C ATOM 144 CG LEU A 11 8.645 -2.365 1.580 1.00 0.00 C ATOM 145 CD1 LEU A 11 8.057 -1.716 2.835 1.00 0.00 C ATOM 146 CD2 LEU A 11 8.180 -1.597 0.342 1.00 0.00 C ATOM 0 H LEU A 11 12.417 -2.318 2.491 1.00 0.00 H new ATOM 0 HA LEU A 11 9.997 -3.787 3.271 1.00 0.00 H new ATOM 0 HB2 LEU A 11 10.500 -1.408 2.138 1.00 0.00 H new ATOM 0 HB3 LEU A 11 10.597 -2.337 0.655 1.00 0.00 H new ATOM 0 HG LEU A 11 8.307 -3.399 1.513 1.00 0.00 H new ATOM 0 HD11 LEU A 11 6.969 -1.740 2.781 1.00 0.00 H new ATOM 0 HD12 LEU A 11 8.389 -2.263 3.717 1.00 0.00 H new ATOM 0 HD13 LEU A 11 8.394 -0.682 2.902 1.00 0.00 H new ATOM 0 HD21 LEU A 11 7.092 -1.622 0.286 1.00 0.00 H new ATOM 0 HD22 LEU A 11 8.517 -0.562 0.408 1.00 0.00 H new ATOM 0 HD23 LEU A 11 8.600 -2.059 -0.552 1.00 0.00 H new ATOM 158 N CYS A 12 11.493 -4.670 0.479 1.00 0.00 N ATOM 159 CA CYS A 12 11.638 -5.835 -0.438 1.00 0.00 C ATOM 160 C CYS A 12 12.376 -6.966 0.283 1.00 0.00 C ATOM 161 O CYS A 12 12.447 -8.080 -0.195 1.00 0.00 O ATOM 162 CB CYS A 12 12.465 -5.314 -1.612 1.00 0.00 C ATOM 163 SG CYS A 12 11.400 -4.348 -2.711 1.00 0.00 S ATOM 0 H CYS A 12 12.003 -3.832 0.200 1.00 0.00 H new ATOM 0 HA CYS A 12 10.678 -6.233 -0.768 1.00 0.00 H new ATOM 0 HB2 CYS A 12 13.286 -4.697 -1.248 1.00 0.00 H new ATOM 0 HB3 CYS A 12 12.909 -6.147 -2.157 1.00 0.00 H new ATOM 168 N ASN A 13 12.920 -6.680 1.437 1.00 0.00 N ATOM 169 CA ASN A 13 13.649 -7.728 2.205 1.00 0.00 C ATOM 170 C ASN A 13 12.886 -9.049 2.144 1.00 0.00 C ATOM 171 O ASN A 13 13.422 -10.074 1.773 1.00 0.00 O ATOM 172 CB ASN A 13 13.681 -7.198 3.638 1.00 0.00 C ATOM 173 CG ASN A 13 14.544 -8.116 4.507 1.00 0.00 C ATOM 174 OD1 ASN A 13 15.547 -8.633 4.056 1.00 0.00 O ATOM 175 ND2 ASN A 13 14.193 -8.343 5.744 1.00 0.00 N ATOM 0 H ASN A 13 12.890 -5.762 1.881 1.00 0.00 H new ATOM 0 HA ASN A 13 14.647 -7.919 1.811 1.00 0.00 H new ATOM 0 HB2 ASN A 13 14.082 -6.185 3.653 1.00 0.00 H new ATOM 0 HB3 ASN A 13 12.669 -7.146 4.040 1.00 0.00 H new ATOM 0 HD21 ASN A 13 14.761 -8.954 6.331 1.00 0.00 H new ATOM 0 HD22 ASN A 13 13.351 -7.909 6.123 1.00 0.00 H new ATOM 182 N GLU A 14 11.638 -9.029 2.510 1.00 0.00 N ATOM 183 CA GLU A 14 10.828 -10.281 2.478 1.00 0.00 C ATOM 184 C GLU A 14 10.971 -10.979 1.121 1.00 0.00 C ATOM 185 O GLU A 14 10.726 -12.162 0.997 1.00 0.00 O ATOM 186 CB GLU A 14 9.385 -9.825 2.700 1.00 0.00 C ATOM 187 CG GLU A 14 8.482 -11.051 2.857 1.00 0.00 C ATOM 188 CD GLU A 14 7.041 -10.596 3.100 1.00 0.00 C ATOM 189 OE1 GLU A 14 6.811 -9.398 3.096 1.00 0.00 O ATOM 190 OE2 GLU A 14 6.193 -11.453 3.285 1.00 0.00 O ATOM 0 H GLU A 14 11.140 -8.199 2.831 1.00 0.00 H new ATOM 0 HA GLU A 14 11.151 -10.998 3.233 1.00 0.00 H new ATOM 0 HB2 GLU A 14 9.323 -9.198 3.589 1.00 0.00 H new ATOM 0 HB3 GLU A 14 9.050 -9.219 1.858 1.00 0.00 H new ATOM 0 HG2 GLU A 14 8.533 -11.670 1.962 1.00 0.00 H new ATOM 0 HG3 GLU A 14 8.826 -11.665 3.689 1.00 0.00 H new ATOM 197 N TYR A 15 11.367 -10.262 0.101 1.00 0.00 N ATOM 198 CA TYR A 15 11.522 -10.903 -1.236 1.00 0.00 C ATOM 199 C TYR A 15 12.956 -11.404 -1.417 1.00 0.00 C ATOM 200 O TYR A 15 13.312 -11.936 -2.449 1.00 0.00 O ATOM 201 CB TYR A 15 11.207 -9.804 -2.250 1.00 0.00 C ATOM 202 CG TYR A 15 9.735 -9.475 -2.198 1.00 0.00 C ATOM 203 CD1 TYR A 15 8.829 -10.191 -2.990 1.00 0.00 C ATOM 204 CD2 TYR A 15 9.275 -8.452 -1.360 1.00 0.00 C ATOM 205 CE1 TYR A 15 7.464 -9.885 -2.943 1.00 0.00 C ATOM 206 CE2 TYR A 15 7.909 -8.146 -1.314 1.00 0.00 C ATOM 207 CZ TYR A 15 7.004 -8.862 -2.105 1.00 0.00 C ATOM 208 OH TYR A 15 5.658 -8.561 -2.059 1.00 0.00 O ATOM 0 H TYR A 15 11.588 -9.267 0.137 1.00 0.00 H new ATOM 0 HA TYR A 15 10.865 -11.764 -1.356 1.00 0.00 H new ATOM 0 HB2 TYR A 15 11.797 -8.914 -2.032 1.00 0.00 H new ATOM 0 HB3 TYR A 15 11.482 -10.131 -3.253 1.00 0.00 H new ATOM 0 HD1 TYR A 15 9.184 -10.980 -3.637 1.00 0.00 H new ATOM 0 HD2 TYR A 15 9.973 -7.899 -0.749 1.00 0.00 H new ATOM 0 HE1 TYR A 15 6.765 -10.438 -3.553 1.00 0.00 H new ATOM 0 HE2 TYR A 15 7.554 -7.357 -0.668 1.00 0.00 H new ATOM 0 HH TYR A 15 5.473 -8.008 -1.271 1.00 0.00 H new ATOM 218 N ARG A 16 13.780 -11.245 -0.419 1.00 0.00 N ATOM 219 CA ARG A 16 15.187 -11.719 -0.533 1.00 0.00 C ATOM 220 C ARG A 16 15.229 -13.244 -0.447 1.00 0.00 C ATOM 221 O ARG A 16 16.073 -13.887 -1.038 1.00 0.00 O ATOM 222 CB ARG A 16 15.915 -11.085 0.647 1.00 0.00 C ATOM 223 CG ARG A 16 16.104 -9.594 0.372 1.00 0.00 C ATOM 224 CD ARG A 16 17.128 -9.024 1.348 1.00 0.00 C ATOM 225 NE ARG A 16 16.906 -7.552 1.310 1.00 0.00 N ATOM 226 CZ ARG A 16 17.785 -6.748 1.840 1.00 0.00 C ATOM 227 NH1 ARG A 16 18.292 -7.016 3.011 1.00 0.00 N ATOM 228 NH2 ARG A 16 18.158 -5.675 1.197 1.00 0.00 N ATOM 0 H ARG A 16 13.540 -10.807 0.470 1.00 0.00 H new ATOM 0 HA ARG A 16 15.647 -11.443 -1.482 1.00 0.00 H new ATOM 0 HB2 ARG A 16 15.343 -11.229 1.564 1.00 0.00 H new ATOM 0 HB3 ARG A 16 16.882 -11.566 0.795 1.00 0.00 H new ATOM 0 HG2 ARG A 16 16.439 -9.442 -0.654 1.00 0.00 H new ATOM 0 HG3 ARG A 16 15.154 -9.070 0.478 1.00 0.00 H new ATOM 0 HD2 ARG A 16 16.982 -9.421 2.353 1.00 0.00 H new ATOM 0 HD3 ARG A 16 18.145 -9.279 1.049 1.00 0.00 H new ATOM 0 HE ARG A 16 16.067 -7.173 0.870 1.00 0.00 H new ATOM 0 HH11 ARG A 16 18.001 -7.855 3.513 1.00 0.00 H new ATOM 0 HH12 ARG A 16 18.980 -6.387 3.425 1.00 0.00 H new ATOM 0 HH21 ARG A 16 17.762 -5.466 0.281 1.00 0.00 H new ATOM 0 HH22 ARG A 16 18.846 -5.046 1.611 1.00 0.00 H new ATOM 242 N LYS A 17 14.307 -13.828 0.266 1.00 0.00 N ATOM 243 CA LYS A 17 14.279 -15.313 0.363 1.00 0.00 C ATOM 244 C LYS A 17 13.791 -15.888 -0.968 1.00 0.00 C ATOM 245 O LYS A 17 13.777 -17.084 -1.179 1.00 0.00 O ATOM 246 CB LYS A 17 13.285 -15.627 1.485 1.00 0.00 C ATOM 247 CG LYS A 17 13.566 -14.727 2.691 1.00 0.00 C ATOM 248 CD LYS A 17 12.818 -15.266 3.913 1.00 0.00 C ATOM 249 CE LYS A 17 11.325 -14.958 3.773 1.00 0.00 C ATOM 250 NZ LYS A 17 10.829 -14.836 5.173 1.00 0.00 N ATOM 0 H LYS A 17 13.574 -13.343 0.784 1.00 0.00 H new ATOM 0 HA LYS A 17 15.258 -15.743 0.572 1.00 0.00 H new ATOM 0 HB2 LYS A 17 12.265 -15.472 1.134 1.00 0.00 H new ATOM 0 HB3 LYS A 17 13.367 -16.675 1.774 1.00 0.00 H new ATOM 0 HG2 LYS A 17 14.637 -14.693 2.892 1.00 0.00 H new ATOM 0 HG3 LYS A 17 13.249 -13.706 2.478 1.00 0.00 H new ATOM 0 HD2 LYS A 17 12.972 -16.341 4.002 1.00 0.00 H new ATOM 0 HD3 LYS A 17 13.210 -14.812 4.823 1.00 0.00 H new ATOM 0 HE2 LYS A 17 11.162 -14.037 3.214 1.00 0.00 H new ATOM 0 HE3 LYS A 17 10.806 -15.752 3.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 9.811 -14.625 5.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 10.992 -15.730 5.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 11.337 -14.068 5.656 1.00 0.00 H new ATOM 264 N LEU A 18 13.390 -15.029 -1.868 1.00 0.00 N ATOM 265 CA LEU A 18 12.900 -15.491 -3.193 1.00 0.00 C ATOM 266 C LEU A 18 13.981 -15.248 -4.249 1.00 0.00 C ATOM 267 O LEU A 18 14.149 -16.017 -5.174 1.00 0.00 O ATOM 268 CB LEU A 18 11.674 -14.618 -3.482 1.00 0.00 C ATOM 269 CG LEU A 18 10.602 -14.838 -2.407 1.00 0.00 C ATOM 270 CD1 LEU A 18 11.027 -14.171 -1.097 1.00 0.00 C ATOM 271 CD2 LEU A 18 9.286 -14.217 -2.878 1.00 0.00 C ATOM 0 H LEU A 18 13.382 -14.017 -1.737 1.00 0.00 H new ATOM 0 HA LEU A 18 12.659 -16.554 -3.206 1.00 0.00 H new ATOM 0 HB2 LEU A 18 11.964 -13.568 -3.507 1.00 0.00 H new ATOM 0 HB3 LEU A 18 11.269 -14.860 -4.465 1.00 0.00 H new ATOM 0 HG LEU A 18 10.476 -15.908 -2.241 1.00 0.00 H new ATOM 0 HD11 LEU A 18 10.259 -14.333 -0.340 1.00 0.00 H new ATOM 0 HD12 LEU A 18 11.968 -14.603 -0.757 1.00 0.00 H new ATOM 0 HD13 LEU A 18 11.157 -13.101 -1.259 1.00 0.00 H new ATOM 0 HD21 LEU A 18 8.519 -14.370 -2.118 1.00 0.00 H new ATOM 0 HD22 LEU A 18 9.426 -13.149 -3.042 1.00 0.00 H new ATOM 0 HD23 LEU A 18 8.973 -14.690 -3.809 1.00 0.00 H new ATOM 283 N VAL A 19 14.714 -14.175 -4.110 1.00 0.00 N ATOM 284 CA VAL A 19 15.788 -13.863 -5.095 1.00 0.00 C ATOM 285 C VAL A 19 16.826 -14.988 -5.128 1.00 0.00 C ATOM 286 O VAL A 19 17.028 -15.689 -4.156 1.00 0.00 O ATOM 287 CB VAL A 19 16.424 -12.569 -4.584 1.00 0.00 C ATOM 288 CG1 VAL A 19 17.671 -12.251 -5.412 1.00 0.00 C ATOM 289 CG2 VAL A 19 15.425 -11.418 -4.710 1.00 0.00 C ATOM 0 H VAL A 19 14.614 -13.499 -3.353 1.00 0.00 H new ATOM 0 HA VAL A 19 15.400 -13.761 -6.108 1.00 0.00 H new ATOM 0 HB VAL A 19 16.702 -12.694 -3.537 1.00 0.00 H new ATOM 0 HG11 VAL A 19 18.124 -11.329 -5.048 1.00 0.00 H new ATOM 0 HG12 VAL A 19 18.387 -13.068 -5.320 1.00 0.00 H new ATOM 0 HG13 VAL A 19 17.392 -12.129 -6.459 1.00 0.00 H new ATOM 0 HG21 VAL A 19 15.882 -10.498 -4.345 1.00 0.00 H new ATOM 0 HG22 VAL A 19 15.144 -11.293 -5.756 1.00 0.00 H new ATOM 0 HG23 VAL A 19 14.537 -11.641 -4.119 1.00 0.00 H new ATOM 299 N ARG A 20 17.489 -15.160 -6.238 1.00 0.00 N ATOM 300 CA ARG A 20 18.519 -16.234 -6.337 1.00 0.00 C ATOM 301 C ARG A 20 19.834 -15.643 -6.854 1.00 0.00 C ATOM 302 O ARG A 20 20.661 -15.182 -6.093 1.00 0.00 O ATOM 303 CB ARG A 20 17.946 -17.240 -7.335 1.00 0.00 C ATOM 304 CG ARG A 20 16.729 -17.931 -6.715 1.00 0.00 C ATOM 305 CD ARG A 20 16.803 -19.435 -6.987 1.00 0.00 C ATOM 306 NE ARG A 20 15.549 -19.990 -6.403 1.00 0.00 N ATOM 307 CZ ARG A 20 14.439 -19.951 -7.087 1.00 0.00 C ATOM 308 NH1 ARG A 20 14.453 -20.199 -8.368 1.00 0.00 N ATOM 309 NH2 ARG A 20 13.314 -19.665 -6.491 1.00 0.00 N ATOM 0 H ARG A 20 17.362 -14.602 -7.083 1.00 0.00 H new ATOM 0 HA ARG A 20 18.734 -16.700 -5.375 1.00 0.00 H new ATOM 0 HB2 ARG A 20 17.660 -16.733 -8.257 1.00 0.00 H new ATOM 0 HB3 ARG A 20 18.703 -17.979 -7.599 1.00 0.00 H new ATOM 0 HG2 ARG A 20 16.700 -17.746 -5.641 1.00 0.00 H new ATOM 0 HG3 ARG A 20 15.811 -17.519 -7.134 1.00 0.00 H new ATOM 0 HD2 ARG A 20 16.867 -19.641 -8.055 1.00 0.00 H new ATOM 0 HD3 ARG A 20 17.685 -19.878 -6.524 1.00 0.00 H new ATOM 0 HE ARG A 20 15.559 -20.400 -5.469 1.00 0.00 H new ATOM 0 HH11 ARG A 20 15.332 -20.423 -8.834 1.00 0.00 H new ATOM 0 HH12 ARG A 20 13.585 -20.169 -8.903 1.00 0.00 H new ATOM 0 HH21 ARG A 20 13.302 -19.472 -5.490 1.00 0.00 H new ATOM 0 HH22 ARG A 20 12.446 -19.635 -7.027 1.00 0.00 H new ATOM 323 N ASN A 21 20.027 -15.642 -8.144 1.00 0.00 N ATOM 324 CA ASN A 21 21.278 -15.068 -8.714 1.00 0.00 C ATOM 325 C ASN A 21 20.927 -13.875 -9.604 1.00 0.00 C ATOM 326 O ASN A 21 21.348 -13.784 -10.741 1.00 0.00 O ATOM 327 CB ASN A 21 21.899 -16.199 -9.536 1.00 0.00 C ATOM 328 CG ASN A 21 21.107 -16.395 -10.830 1.00 0.00 C ATOM 329 OD1 ASN A 21 21.433 -15.823 -11.850 1.00 0.00 O ATOM 330 ND2 ASN A 21 20.075 -17.192 -10.829 1.00 0.00 N ATOM 0 H ASN A 21 19.370 -16.015 -8.830 1.00 0.00 H new ATOM 0 HA ASN A 21 21.967 -14.710 -7.949 1.00 0.00 H new ATOM 0 HB2 ASN A 21 22.938 -15.965 -9.767 1.00 0.00 H new ATOM 0 HB3 ASN A 21 21.902 -17.123 -8.957 1.00 0.00 H new ATOM 0 HD21 ASN A 21 19.541 -17.335 -11.686 1.00 0.00 H new ATOM 0 HD22 ASN A 21 19.802 -17.672 -9.971 1.00 0.00 H new ATOM 337 N GLY A 22 20.142 -12.966 -9.096 1.00 0.00 N ATOM 338 CA GLY A 22 19.738 -11.785 -9.908 1.00 0.00 C ATOM 339 C GLY A 22 18.290 -11.974 -10.367 1.00 0.00 C ATOM 340 O GLY A 22 17.719 -11.127 -11.025 1.00 0.00 O ATOM 0 H GLY A 22 19.762 -12.991 -8.150 1.00 0.00 H new ATOM 0 HA2 GLY A 22 19.831 -10.872 -9.319 1.00 0.00 H new ATOM 0 HA3 GLY A 22 20.396 -11.677 -10.770 1.00 0.00 H new ATOM 344 N LYS A 23 17.692 -13.087 -10.025 1.00 0.00 N ATOM 345 CA LYS A 23 16.282 -13.341 -10.436 1.00 0.00 C ATOM 346 C LYS A 23 15.368 -13.323 -9.206 1.00 0.00 C ATOM 347 O LYS A 23 15.711 -13.838 -8.161 1.00 0.00 O ATOM 348 CB LYS A 23 16.316 -14.733 -11.075 1.00 0.00 C ATOM 349 CG LYS A 23 14.913 -15.346 -11.072 1.00 0.00 C ATOM 350 CD LYS A 23 14.911 -16.603 -11.945 1.00 0.00 C ATOM 351 CE LYS A 23 13.480 -16.913 -12.390 1.00 0.00 C ATOM 352 NZ LYS A 23 13.482 -18.374 -12.680 1.00 0.00 N ATOM 0 H LYS A 23 18.123 -13.832 -9.477 1.00 0.00 H new ATOM 0 HA LYS A 23 15.896 -12.587 -11.122 1.00 0.00 H new ATOM 0 HB2 LYS A 23 16.689 -14.664 -12.097 1.00 0.00 H new ATOM 0 HB3 LYS A 23 17.004 -15.377 -10.527 1.00 0.00 H new ATOM 0 HG2 LYS A 23 14.614 -15.595 -10.054 1.00 0.00 H new ATOM 0 HG3 LYS A 23 14.188 -14.625 -11.450 1.00 0.00 H new ATOM 0 HD2 LYS A 23 15.550 -16.455 -12.816 1.00 0.00 H new ATOM 0 HD3 LYS A 23 15.321 -17.446 -11.388 1.00 0.00 H new ATOM 0 HE2 LYS A 23 12.760 -16.665 -11.610 1.00 0.00 H new ATOM 0 HE3 LYS A 23 13.206 -16.335 -13.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 12.534 -18.667 -12.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 14.172 -18.578 -13.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 13.741 -18.898 -11.820 1.00 0.00 H new ATOM 366 N LEU A 24 14.212 -12.731 -9.320 1.00 0.00 N ATOM 367 CA LEU A 24 13.285 -12.680 -8.153 1.00 0.00 C ATOM 368 C LEU A 24 12.060 -13.564 -8.401 1.00 0.00 C ATOM 369 O LEU A 24 11.513 -13.592 -9.486 1.00 0.00 O ATOM 370 CB LEU A 24 12.864 -11.212 -8.040 1.00 0.00 C ATOM 371 CG LEU A 24 12.715 -10.818 -6.565 1.00 0.00 C ATOM 372 CD1 LEU A 24 11.853 -9.558 -6.461 1.00 0.00 C ATOM 373 CD2 LEU A 24 12.044 -11.952 -5.784 1.00 0.00 C ATOM 0 H LEU A 24 13.869 -12.281 -10.168 1.00 0.00 H new ATOM 0 HA LEU A 24 13.760 -13.043 -7.241 1.00 0.00 H new ATOM 0 HB2 LEU A 24 13.606 -10.575 -8.521 1.00 0.00 H new ATOM 0 HB3 LEU A 24 11.921 -11.055 -8.563 1.00 0.00 H new ATOM 0 HG LEU A 24 13.703 -10.628 -6.146 1.00 0.00 H new ATOM 0 HD11 LEU A 24 11.746 -9.276 -5.414 1.00 0.00 H new ATOM 0 HD12 LEU A 24 12.330 -8.745 -7.009 1.00 0.00 H new ATOM 0 HD13 LEU A 24 10.869 -9.754 -6.887 1.00 0.00 H new ATOM 0 HD21 LEU A 24 11.943 -11.663 -4.738 1.00 0.00 H new ATOM 0 HD22 LEU A 24 11.057 -12.149 -6.203 1.00 0.00 H new ATOM 0 HD23 LEU A 24 12.654 -12.853 -5.854 1.00 0.00 H new ATOM 385 N ALA A 25 11.620 -14.279 -7.401 1.00 0.00 N ATOM 386 CA ALA A 25 10.423 -15.151 -7.581 1.00 0.00 C ATOM 387 C ALA A 25 9.155 -14.361 -7.254 1.00 0.00 C ATOM 388 O ALA A 25 8.832 -14.132 -6.106 1.00 0.00 O ATOM 389 CB ALA A 25 10.609 -16.300 -6.593 1.00 0.00 C ATOM 0 H ALA A 25 12.036 -14.297 -6.470 1.00 0.00 H new ATOM 0 HA ALA A 25 10.324 -15.514 -8.604 1.00 0.00 H new ATOM 0 HB1 ALA A 25 9.764 -16.985 -6.668 1.00 0.00 H new ATOM 0 HB2 ALA A 25 11.531 -16.834 -6.825 1.00 0.00 H new ATOM 0 HB3 ALA A 25 10.665 -15.903 -5.579 1.00 0.00 H new ATOM 395 N CYS A 26 8.440 -13.938 -8.257 1.00 0.00 N ATOM 396 CA CYS A 26 7.196 -13.153 -8.010 1.00 0.00 C ATOM 397 C CYS A 26 6.024 -14.087 -7.701 1.00 0.00 C ATOM 398 O CYS A 26 6.116 -15.289 -7.848 1.00 0.00 O ATOM 399 CB CYS A 26 6.947 -12.391 -9.311 1.00 0.00 C ATOM 400 SG CYS A 26 7.647 -10.729 -9.177 1.00 0.00 S ATOM 0 H CYS A 26 8.662 -14.101 -9.239 1.00 0.00 H new ATOM 0 HA CYS A 26 7.295 -12.484 -7.155 1.00 0.00 H new ATOM 0 HB2 CYS A 26 7.400 -12.922 -10.149 1.00 0.00 H new ATOM 0 HB3 CYS A 26 5.877 -12.332 -9.512 1.00 0.00 H new ATOM 405 N THR A 27 4.919 -13.537 -7.275 1.00 0.00 N ATOM 406 CA THR A 27 3.737 -14.386 -6.956 1.00 0.00 C ATOM 407 C THR A 27 2.530 -13.937 -7.782 1.00 0.00 C ATOM 408 O THR A 27 2.648 -13.135 -8.687 1.00 0.00 O ATOM 409 CB THR A 27 3.480 -14.163 -5.465 1.00 0.00 C ATOM 410 OG1 THR A 27 3.517 -12.770 -5.183 1.00 0.00 O ATOM 411 CG2 THR A 27 4.556 -14.879 -4.650 1.00 0.00 C ATOM 0 H THR A 27 4.784 -12.536 -7.134 1.00 0.00 H new ATOM 0 HA THR A 27 3.907 -15.438 -7.186 1.00 0.00 H new ATOM 0 HB THR A 27 2.501 -14.561 -5.200 1.00 0.00 H new ATOM 0 HG1 THR A 27 3.351 -12.625 -4.228 1.00 0.00 H new ATOM 0 HG21 THR A 27 4.373 -14.720 -3.587 1.00 0.00 H new ATOM 0 HG22 THR A 27 4.527 -15.947 -4.868 1.00 0.00 H new ATOM 0 HG23 THR A 27 5.536 -14.481 -4.913 1.00 0.00 H new ATOM 419 N ARG A 28 1.369 -14.449 -7.481 1.00 0.00 N ATOM 420 CA ARG A 28 0.157 -14.052 -8.252 1.00 0.00 C ATOM 421 C ARG A 28 -0.594 -12.933 -7.523 1.00 0.00 C ATOM 422 O ARG A 28 -1.766 -12.711 -7.749 1.00 0.00 O ATOM 423 CB ARG A 28 -0.700 -15.317 -8.322 1.00 0.00 C ATOM 424 CG ARG A 28 0.113 -16.449 -8.952 1.00 0.00 C ATOM 425 CD ARG A 28 -0.780 -17.678 -9.136 1.00 0.00 C ATOM 426 NE ARG A 28 0.163 -18.793 -9.440 1.00 0.00 N ATOM 427 CZ ARG A 28 0.094 -19.908 -8.766 1.00 0.00 C ATOM 428 NH1 ARG A 28 -0.413 -20.975 -9.320 1.00 0.00 N ATOM 429 NH2 ARG A 28 0.533 -19.957 -7.538 1.00 0.00 N ATOM 0 H ARG A 28 1.207 -15.125 -6.735 1.00 0.00 H new ATOM 0 HA ARG A 28 0.405 -13.672 -9.243 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -1.028 -15.603 -7.323 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -1.598 -15.129 -8.910 1.00 0.00 H new ATOM 0 HG2 ARG A 28 0.514 -16.131 -9.914 1.00 0.00 H new ATOM 0 HG3 ARG A 28 0.964 -16.696 -8.318 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -1.359 -17.884 -8.236 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -1.493 -17.531 -9.947 1.00 0.00 H new ATOM 0 HE ARG A 28 0.862 -18.684 -10.175 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -0.755 -20.937 -10.280 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -0.467 -21.847 -8.793 1.00 0.00 H new ATOM 0 HH21 ARG A 28 0.930 -19.123 -7.105 1.00 0.00 H new ATOM 0 HH22 ARG A 28 0.479 -20.829 -7.011 1.00 0.00 H new ATOM 443 N GLU A 29 0.074 -12.227 -6.652 1.00 0.00 N ATOM 444 CA GLU A 29 -0.605 -11.123 -5.912 1.00 0.00 C ATOM 445 C GLU A 29 -1.106 -10.060 -6.893 1.00 0.00 C ATOM 446 O GLU A 29 -0.475 -9.777 -7.892 1.00 0.00 O ATOM 447 CB GLU A 29 0.470 -10.542 -4.995 1.00 0.00 C ATOM 448 CG GLU A 29 -0.104 -9.346 -4.231 1.00 0.00 C ATOM 449 CD GLU A 29 0.972 -8.760 -3.315 1.00 0.00 C ATOM 450 OE1 GLU A 29 2.112 -9.181 -3.427 1.00 0.00 O ATOM 451 OE2 GLU A 29 0.639 -7.900 -2.516 1.00 0.00 O ATOM 0 H GLU A 29 1.058 -12.365 -6.421 1.00 0.00 H new ATOM 0 HA GLU A 29 -1.472 -11.473 -5.352 1.00 0.00 H new ATOM 0 HB2 GLU A 29 0.816 -11.302 -4.295 1.00 0.00 H new ATOM 0 HB3 GLU A 29 1.335 -10.232 -5.582 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -0.453 -8.587 -4.931 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -0.967 -9.657 -3.643 1.00 0.00 H new ATOM 458 N ASN A 30 -2.234 -9.467 -6.615 1.00 0.00 N ATOM 459 CA ASN A 30 -2.772 -8.421 -7.532 1.00 0.00 C ATOM 460 C ASN A 30 -2.732 -7.051 -6.850 1.00 0.00 C ATOM 461 O ASN A 30 -3.729 -6.361 -6.759 1.00 0.00 O ATOM 462 CB ASN A 30 -4.216 -8.840 -7.810 1.00 0.00 C ATOM 463 CG ASN A 30 -4.996 -8.887 -6.495 1.00 0.00 C ATOM 464 OD1 ASN A 30 -5.315 -7.861 -5.927 1.00 0.00 O ATOM 465 ND2 ASN A 30 -5.320 -10.043 -5.985 1.00 0.00 N ATOM 0 H ASN A 30 -2.807 -9.661 -5.793 1.00 0.00 H new ATOM 0 HA ASN A 30 -2.190 -8.337 -8.450 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -4.684 -8.136 -8.498 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -4.236 -9.817 -8.292 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -5.841 -10.086 -5.109 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -5.052 -10.904 -6.462 1.00 0.00 H new ATOM 472 N ASP A 31 -1.587 -6.651 -6.372 1.00 0.00 N ATOM 473 CA ASP A 31 -1.480 -5.326 -5.697 1.00 0.00 C ATOM 474 C ASP A 31 -0.518 -4.416 -6.472 1.00 0.00 C ATOM 475 O ASP A 31 0.622 -4.252 -6.084 1.00 0.00 O ATOM 476 CB ASP A 31 -0.925 -5.634 -4.307 1.00 0.00 C ATOM 477 CG ASP A 31 -2.083 -5.786 -3.317 1.00 0.00 C ATOM 478 OD1 ASP A 31 -2.781 -4.809 -3.099 1.00 0.00 O ATOM 479 OD2 ASP A 31 -2.251 -6.876 -2.796 1.00 0.00 O ATOM 0 H ASP A 31 -0.719 -7.185 -6.419 1.00 0.00 H new ATOM 0 HA ASP A 31 -2.438 -4.808 -5.647 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -0.334 -6.549 -4.335 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -0.259 -4.834 -3.984 1.00 0.00 H new ATOM 484 N PRO A 32 -1.008 -3.852 -7.549 1.00 0.00 N ATOM 485 CA PRO A 32 -0.179 -2.955 -8.384 1.00 0.00 C ATOM 486 C PRO A 32 0.263 -1.728 -7.583 1.00 0.00 C ATOM 487 O PRO A 32 -0.490 -1.170 -6.811 1.00 0.00 O ATOM 488 CB PRO A 32 -1.136 -2.560 -9.512 1.00 0.00 C ATOM 489 CG PRO A 32 -2.491 -3.255 -9.275 1.00 0.00 C ATOM 490 CD PRO A 32 -2.406 -4.080 -7.985 1.00 0.00 C ATOM 0 HA PRO A 32 0.739 -3.419 -8.743 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -1.265 -1.478 -9.537 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -0.724 -2.854 -10.477 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -3.286 -2.514 -9.197 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -2.737 -3.899 -10.119 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -3.124 -3.741 -7.238 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -2.608 -5.136 -8.165 1.00 0.00 H new ATOM 498 N ILE A 33 1.479 -1.303 -7.771 1.00 0.00 N ATOM 499 CA ILE A 33 1.981 -0.107 -7.030 1.00 0.00 C ATOM 500 C ILE A 33 2.941 0.691 -7.917 1.00 0.00 C ATOM 501 O ILE A 33 3.039 0.460 -9.107 1.00 0.00 O ATOM 502 CB ILE A 33 2.701 -0.656 -5.786 1.00 0.00 C ATOM 503 CG1 ILE A 33 4.128 -1.084 -6.143 1.00 0.00 C ATOM 504 CG2 ILE A 33 1.934 -1.862 -5.233 1.00 0.00 C ATOM 505 CD1 ILE A 33 4.095 -2.057 -7.320 1.00 0.00 C ATOM 0 H ILE A 33 2.152 -1.731 -8.407 1.00 0.00 H new ATOM 0 HA ILE A 33 1.175 0.569 -6.747 1.00 0.00 H new ATOM 0 HB ILE A 33 2.742 0.130 -5.032 1.00 0.00 H new ATOM 0 HG12 ILE A 33 4.727 -0.210 -6.398 1.00 0.00 H new ATOM 0 HG13 ILE A 33 4.603 -1.555 -5.282 1.00 0.00 H new ATOM 0 HG21 ILE A 33 2.448 -2.247 -4.352 1.00 0.00 H new ATOM 0 HG22 ILE A 33 0.924 -1.557 -4.959 1.00 0.00 H new ATOM 0 HG23 ILE A 33 1.884 -2.641 -5.994 1.00 0.00 H new ATOM 0 HD11 ILE A 33 5.112 -2.359 -7.571 1.00 0.00 H new ATOM 0 HD12 ILE A 33 3.512 -2.937 -7.049 1.00 0.00 H new ATOM 0 HD13 ILE A 33 3.638 -1.570 -8.182 1.00 0.00 H new ATOM 517 N GLN A 34 3.644 1.628 -7.351 1.00 0.00 N ATOM 518 CA GLN A 34 4.593 2.444 -8.164 1.00 0.00 C ATOM 519 C GLN A 34 6.021 2.289 -7.632 1.00 0.00 C ATOM 520 O GLN A 34 6.238 1.830 -6.528 1.00 0.00 O ATOM 521 CB GLN A 34 4.114 3.885 -8.000 1.00 0.00 C ATOM 522 CG GLN A 34 2.680 4.006 -8.521 1.00 0.00 C ATOM 523 CD GLN A 34 2.187 5.442 -8.333 1.00 0.00 C ATOM 524 OE1 GLN A 34 2.820 6.232 -7.661 1.00 0.00 O ATOM 525 NE2 GLN A 34 1.074 5.815 -8.903 1.00 0.00 N ATOM 0 H GLN A 34 3.605 1.867 -6.360 1.00 0.00 H new ATOM 0 HA GLN A 34 4.611 2.135 -9.209 1.00 0.00 H new ATOM 0 HB2 GLN A 34 4.157 4.177 -6.951 1.00 0.00 H new ATOM 0 HB3 GLN A 34 4.770 4.562 -8.547 1.00 0.00 H new ATOM 0 HG2 GLN A 34 2.641 3.732 -9.575 1.00 0.00 H new ATOM 0 HG3 GLN A 34 2.029 3.314 -7.987 1.00 0.00 H new ATOM 0 HE21 GLN A 34 0.543 5.152 -9.467 1.00 0.00 H new ATOM 0 HE22 GLN A 34 0.735 6.770 -8.784 1.00 0.00 H new ATOM 534 N GLY A 35 6.996 2.669 -8.413 1.00 0.00 N ATOM 535 CA GLY A 35 8.409 2.547 -7.955 1.00 0.00 C ATOM 536 C GLY A 35 9.000 3.945 -7.745 1.00 0.00 C ATOM 537 O GLY A 35 8.377 4.934 -8.076 1.00 0.00 O ATOM 0 H GLY A 35 6.875 3.058 -9.348 1.00 0.00 H new ATOM 0 HA2 GLY A 35 8.454 1.978 -7.026 1.00 0.00 H new ATOM 0 HA3 GLY A 35 8.996 1.999 -8.693 1.00 0.00 H new ATOM 541 N PRO A 36 10.191 3.984 -7.197 1.00 0.00 N ATOM 542 CA PRO A 36 10.871 5.275 -6.941 1.00 0.00 C ATOM 543 C PRO A 36 11.114 6.028 -8.253 1.00 0.00 C ATOM 544 O PRO A 36 11.323 7.225 -8.261 1.00 0.00 O ATOM 545 CB PRO A 36 12.193 4.839 -6.304 1.00 0.00 C ATOM 546 CG PRO A 36 12.220 3.299 -6.220 1.00 0.00 C ATOM 547 CD PRO A 36 10.914 2.749 -6.807 1.00 0.00 C ATOM 0 HA PRO A 36 10.295 5.955 -6.314 1.00 0.00 H new ATOM 0 HB2 PRO A 36 13.034 5.200 -6.896 1.00 0.00 H new ATOM 0 HB3 PRO A 36 12.294 5.273 -5.309 1.00 0.00 H new ATOM 0 HG2 PRO A 36 13.076 2.906 -6.769 1.00 0.00 H new ATOM 0 HG3 PRO A 36 12.332 2.979 -5.184 1.00 0.00 H new ATOM 0 HD2 PRO A 36 11.096 2.098 -7.662 1.00 0.00 H new ATOM 0 HD3 PRO A 36 10.355 2.165 -6.076 1.00 0.00 H new ATOM 555 N ASP A 37 11.090 5.339 -9.360 1.00 0.00 N ATOM 556 CA ASP A 37 11.324 6.020 -10.666 1.00 0.00 C ATOM 557 C ASP A 37 10.016 6.596 -11.207 1.00 0.00 C ATOM 558 O ASP A 37 10.012 7.426 -12.093 1.00 0.00 O ATOM 559 CB ASP A 37 11.860 4.930 -11.594 1.00 0.00 C ATOM 560 CG ASP A 37 13.185 4.399 -11.042 1.00 0.00 C ATOM 561 OD1 ASP A 37 13.809 5.108 -10.270 1.00 0.00 O ATOM 562 OD2 ASP A 37 13.554 3.293 -11.403 1.00 0.00 O ATOM 0 H ASP A 37 10.919 4.335 -9.418 1.00 0.00 H new ATOM 0 HA ASP A 37 12.020 6.854 -10.576 1.00 0.00 H new ATOM 0 HB2 ASP A 37 11.136 4.119 -11.676 1.00 0.00 H new ATOM 0 HB3 ASP A 37 12.006 5.330 -12.597 1.00 0.00 H new ATOM 567 N GLY A 38 8.908 6.168 -10.676 1.00 0.00 N ATOM 568 CA GLY A 38 7.605 6.699 -11.156 1.00 0.00 C ATOM 569 C GLY A 38 6.948 5.685 -12.095 1.00 0.00 C ATOM 570 O GLY A 38 5.840 5.878 -12.553 1.00 0.00 O ATOM 0 H GLY A 38 8.848 5.474 -9.931 1.00 0.00 H new ATOM 0 HA2 GLY A 38 6.950 6.902 -10.309 1.00 0.00 H new ATOM 0 HA3 GLY A 38 7.756 7.645 -11.676 1.00 0.00 H new ATOM 574 N LYS A 39 7.621 4.605 -12.386 1.00 0.00 N ATOM 575 CA LYS A 39 7.033 3.584 -13.298 1.00 0.00 C ATOM 576 C LYS A 39 6.161 2.604 -12.510 1.00 0.00 C ATOM 577 O LYS A 39 6.451 2.269 -11.379 1.00 0.00 O ATOM 578 CB LYS A 39 8.234 2.862 -13.910 1.00 0.00 C ATOM 579 CG LYS A 39 8.925 3.785 -14.916 1.00 0.00 C ATOM 580 CD LYS A 39 10.007 3.003 -15.664 1.00 0.00 C ATOM 581 CE LYS A 39 11.017 3.983 -16.266 1.00 0.00 C ATOM 582 NZ LYS A 39 11.960 3.130 -17.045 1.00 0.00 N ATOM 0 H LYS A 39 8.552 4.386 -12.032 1.00 0.00 H new ATOM 0 HA LYS A 39 6.394 4.032 -14.059 1.00 0.00 H new ATOM 0 HB2 LYS A 39 8.934 2.570 -13.127 1.00 0.00 H new ATOM 0 HB3 LYS A 39 7.909 1.946 -14.404 1.00 0.00 H new ATOM 0 HG2 LYS A 39 8.196 4.183 -15.621 1.00 0.00 H new ATOM 0 HG3 LYS A 39 9.368 4.637 -14.400 1.00 0.00 H new ATOM 0 HD2 LYS A 39 10.511 2.316 -14.984 1.00 0.00 H new ATOM 0 HD3 LYS A 39 9.556 2.399 -16.451 1.00 0.00 H new ATOM 0 HE2 LYS A 39 10.524 4.715 -16.907 1.00 0.00 H new ATOM 0 HE3 LYS A 39 11.539 4.541 -15.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 12.684 3.730 -17.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 12.419 2.448 -16.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 11.436 2.617 -17.782 1.00 0.00 H new ATOM 596 N VAL A 40 5.094 2.139 -13.101 1.00 0.00 N ATOM 597 CA VAL A 40 4.203 1.179 -12.390 1.00 0.00 C ATOM 598 C VAL A 40 4.602 -0.259 -12.729 1.00 0.00 C ATOM 599 O VAL A 40 4.996 -0.558 -13.840 1.00 0.00 O ATOM 600 CB VAL A 40 2.798 1.485 -12.909 1.00 0.00 C ATOM 601 CG1 VAL A 40 1.791 0.552 -12.236 1.00 0.00 C ATOM 602 CG2 VAL A 40 2.442 2.938 -12.591 1.00 0.00 C ATOM 0 H VAL A 40 4.801 2.383 -14.047 1.00 0.00 H new ATOM 0 HA VAL A 40 4.266 1.279 -11.306 1.00 0.00 H new ATOM 0 HB VAL A 40 2.768 1.332 -13.988 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.789 0.770 -12.606 1.00 0.00 H new ATOM 0 HG12 VAL A 40 2.045 -0.483 -12.465 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.820 0.703 -11.157 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.440 3.157 -12.961 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.472 3.092 -11.512 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.160 3.602 -13.073 1.00 0.00 H new ATOM 612 N HIS A 41 4.507 -1.152 -11.783 1.00 0.00 N ATOM 613 CA HIS A 41 4.885 -2.569 -12.054 1.00 0.00 C ATOM 614 C HIS A 41 3.736 -3.508 -11.674 1.00 0.00 C ATOM 615 O HIS A 41 2.771 -3.107 -11.055 1.00 0.00 O ATOM 616 CB HIS A 41 6.104 -2.827 -11.169 1.00 0.00 C ATOM 617 CG HIS A 41 7.118 -1.738 -11.382 1.00 0.00 C ATOM 618 ND1 HIS A 41 8.116 -1.834 -12.340 1.00 0.00 N ATOM 619 CD2 HIS A 41 7.302 -0.523 -10.770 1.00 0.00 C ATOM 620 CE1 HIS A 41 8.847 -0.706 -12.277 1.00 0.00 C ATOM 621 NE2 HIS A 41 8.394 0.127 -11.336 1.00 0.00 N ATOM 0 H HIS A 41 4.184 -0.963 -10.834 1.00 0.00 H new ATOM 0 HA HIS A 41 5.100 -2.745 -13.108 1.00 0.00 H new ATOM 0 HB2 HIS A 41 5.805 -2.861 -10.121 1.00 0.00 H new ATOM 0 HB3 HIS A 41 6.541 -3.797 -11.407 1.00 0.00 H new ATOM 0 HD2 HIS A 41 6.691 -0.131 -9.970 1.00 0.00 H new ATOM 0 HE1 HIS A 41 9.697 -0.499 -12.910 1.00 0.00 H new ATOM 0 HE2 HIS A 41 8.768 1.042 -11.086 1.00 0.00 H new ATOM 629 N GLY A 42 3.835 -4.756 -12.043 1.00 0.00 N ATOM 630 CA GLY A 42 2.751 -5.722 -11.706 1.00 0.00 C ATOM 631 C GLY A 42 2.428 -5.631 -10.214 1.00 0.00 C ATOM 632 O GLY A 42 1.376 -5.163 -9.825 1.00 0.00 O ATOM 0 H GLY A 42 4.620 -5.148 -12.563 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.860 -5.504 -12.295 1.00 0.00 H new ATOM 0 HA3 GLY A 42 3.061 -6.736 -11.960 1.00 0.00 H new ATOM 636 N ASN A 43 3.324 -6.073 -9.374 1.00 0.00 N ATOM 637 CA ASN A 43 3.066 -6.008 -7.906 1.00 0.00 C ATOM 638 C ASN A 43 4.341 -5.625 -7.155 1.00 0.00 C ATOM 639 O ASN A 43 5.297 -5.144 -7.731 1.00 0.00 O ATOM 640 CB ASN A 43 2.610 -7.415 -7.512 1.00 0.00 C ATOM 641 CG ASN A 43 3.567 -8.455 -8.096 1.00 0.00 C ATOM 642 OD1 ASN A 43 4.477 -8.119 -8.828 1.00 0.00 O ATOM 643 ND2 ASN A 43 3.398 -9.714 -7.800 1.00 0.00 N ATOM 0 H ASN A 43 4.223 -6.476 -9.640 1.00 0.00 H new ATOM 0 HA ASN A 43 2.317 -5.256 -7.658 1.00 0.00 H new ATOM 0 HB2 ASN A 43 2.579 -7.506 -6.426 1.00 0.00 H new ATOM 0 HB3 ASN A 43 1.598 -7.594 -7.876 1.00 0.00 H new ATOM 0 HD21 ASN A 43 4.030 -10.417 -8.183 1.00 0.00 H new ATOM 0 HD22 ASN A 43 2.634 -9.995 -7.186 1.00 0.00 H new ATOM 650 N THR A 44 4.352 -5.823 -5.867 1.00 0.00 N ATOM 651 CA THR A 44 5.555 -5.460 -5.061 1.00 0.00 C ATOM 652 C THR A 44 6.787 -6.227 -5.541 1.00 0.00 C ATOM 653 O THR A 44 7.817 -5.646 -5.824 1.00 0.00 O ATOM 654 CB THR A 44 5.206 -5.859 -3.626 1.00 0.00 C ATOM 655 OG1 THR A 44 4.087 -5.103 -3.184 1.00 0.00 O ATOM 656 CG2 THR A 44 6.403 -5.584 -2.715 1.00 0.00 C ATOM 0 H THR A 44 3.579 -6.222 -5.334 1.00 0.00 H new ATOM 0 HA THR A 44 5.795 -4.400 -5.150 1.00 0.00 H new ATOM 0 HB THR A 44 4.962 -6.921 -3.592 1.00 0.00 H new ATOM 0 HG1 THR A 44 3.861 -5.359 -2.265 1.00 0.00 H new ATOM 0 HG21 THR A 44 6.155 -5.868 -1.692 1.00 0.00 H new ATOM 0 HG22 THR A 44 7.260 -6.165 -3.055 1.00 0.00 H new ATOM 0 HG23 THR A 44 6.648 -4.522 -2.747 1.00 0.00 H new ATOM 664 N CYS A 45 6.699 -7.523 -5.628 1.00 0.00 N ATOM 665 CA CYS A 45 7.883 -8.308 -6.081 1.00 0.00 C ATOM 666 C CYS A 45 8.466 -7.690 -7.353 1.00 0.00 C ATOM 667 O CYS A 45 9.667 -7.599 -7.513 1.00 0.00 O ATOM 668 CB CYS A 45 7.370 -9.728 -6.335 1.00 0.00 C ATOM 669 SG CYS A 45 6.425 -9.782 -7.878 1.00 0.00 S ATOM 0 H CYS A 45 5.867 -8.071 -5.408 1.00 0.00 H new ATOM 0 HA CYS A 45 8.682 -8.311 -5.340 1.00 0.00 H new ATOM 0 HB2 CYS A 45 8.209 -10.422 -6.389 1.00 0.00 H new ATOM 0 HB3 CYS A 45 6.743 -10.050 -5.504 1.00 0.00 H new ATOM 674 N SER A 46 7.631 -7.241 -8.254 1.00 0.00 N ATOM 675 CA SER A 46 8.161 -6.608 -9.494 1.00 0.00 C ATOM 676 C SER A 46 8.949 -5.361 -9.105 1.00 0.00 C ATOM 677 O SER A 46 10.061 -5.148 -9.544 1.00 0.00 O ATOM 678 CB SER A 46 6.928 -6.237 -10.319 1.00 0.00 C ATOM 679 OG SER A 46 7.340 -5.739 -11.583 1.00 0.00 O ATOM 0 H SER A 46 6.614 -7.285 -8.185 1.00 0.00 H new ATOM 0 HA SER A 46 8.826 -7.262 -10.058 1.00 0.00 H new ATOM 0 HB2 SER A 46 6.288 -7.110 -10.450 1.00 0.00 H new ATOM 0 HB3 SER A 46 6.338 -5.486 -9.794 1.00 0.00 H new ATOM 0 HG SER A 46 6.596 -5.802 -12.218 1.00 0.00 H new ATOM 685 N MET A 47 8.390 -4.547 -8.255 1.00 0.00 N ATOM 686 CA MET A 47 9.118 -3.332 -7.807 1.00 0.00 C ATOM 687 C MET A 47 10.322 -3.762 -6.970 1.00 0.00 C ATOM 688 O MET A 47 11.251 -3.010 -6.754 1.00 0.00 O ATOM 689 CB MET A 47 8.110 -2.563 -6.955 1.00 0.00 C ATOM 690 CG MET A 47 7.821 -1.217 -7.617 1.00 0.00 C ATOM 691 SD MET A 47 9.365 -0.293 -7.804 1.00 0.00 S ATOM 692 CE MET A 47 9.759 -0.146 -6.044 1.00 0.00 C ATOM 0 H MET A 47 7.461 -4.672 -7.852 1.00 0.00 H new ATOM 0 HA MET A 47 9.489 -2.722 -8.630 1.00 0.00 H new ATOM 0 HB2 MET A 47 7.189 -3.137 -6.852 1.00 0.00 H new ATOM 0 HB3 MET A 47 8.505 -2.411 -5.950 1.00 0.00 H new ATOM 0 HG2 MET A 47 7.357 -1.371 -8.591 1.00 0.00 H new ATOM 0 HG3 MET A 47 7.114 -0.647 -7.014 1.00 0.00 H new ATOM 0 HE1 MET A 47 10.711 0.371 -5.926 1.00 0.00 H new ATOM 0 HE2 MET A 47 8.975 0.420 -5.542 1.00 0.00 H new ATOM 0 HE3 MET A 47 9.829 -1.140 -5.602 1.00 0.00 H new ATOM 702 N CYS A 48 10.303 -4.982 -6.506 1.00 0.00 N ATOM 703 CA CYS A 48 11.434 -5.498 -5.686 1.00 0.00 C ATOM 704 C CYS A 48 12.477 -6.161 -6.591 1.00 0.00 C ATOM 705 O CYS A 48 13.659 -6.142 -6.309 1.00 0.00 O ATOM 706 CB CYS A 48 10.799 -6.525 -4.743 1.00 0.00 C ATOM 707 SG CYS A 48 10.011 -5.671 -3.352 1.00 0.00 S ATOM 0 H CYS A 48 9.546 -5.648 -6.662 1.00 0.00 H new ATOM 0 HA CYS A 48 11.948 -4.709 -5.137 1.00 0.00 H new ATOM 0 HB2 CYS A 48 10.062 -7.121 -5.281 1.00 0.00 H new ATOM 0 HB3 CYS A 48 11.559 -7.215 -4.376 1.00 0.00 H new ATOM 712 N GLU A 49 12.051 -6.743 -7.683 1.00 0.00 N ATOM 713 CA GLU A 49 13.026 -7.396 -8.603 1.00 0.00 C ATOM 714 C GLU A 49 13.928 -6.327 -9.229 1.00 0.00 C ATOM 715 O GLU A 49 15.137 -6.449 -9.236 1.00 0.00 O ATOM 716 CB GLU A 49 12.165 -8.117 -9.657 1.00 0.00 C ATOM 717 CG GLU A 49 11.945 -7.234 -10.892 1.00 0.00 C ATOM 718 CD GLU A 49 11.304 -8.067 -12.005 1.00 0.00 C ATOM 719 OE1 GLU A 49 11.125 -9.255 -11.801 1.00 0.00 O ATOM 720 OE2 GLU A 49 11.005 -7.500 -13.044 1.00 0.00 O ATOM 0 H GLU A 49 11.075 -6.793 -7.975 1.00 0.00 H new ATOM 0 HA GLU A 49 13.686 -8.102 -8.100 1.00 0.00 H new ATOM 0 HB2 GLU A 49 12.651 -9.047 -9.953 1.00 0.00 H new ATOM 0 HB3 GLU A 49 11.202 -8.385 -9.222 1.00 0.00 H new ATOM 0 HG2 GLU A 49 11.304 -6.390 -10.639 1.00 0.00 H new ATOM 0 HG3 GLU A 49 12.895 -6.822 -11.232 1.00 0.00 H new ATOM 727 N VAL A 50 13.350 -5.275 -9.739 1.00 0.00 N ATOM 728 CA VAL A 50 14.181 -4.197 -10.342 1.00 0.00 C ATOM 729 C VAL A 50 15.133 -3.656 -9.277 1.00 0.00 C ATOM 730 O VAL A 50 16.303 -3.438 -9.521 1.00 0.00 O ATOM 731 CB VAL A 50 13.192 -3.116 -10.789 1.00 0.00 C ATOM 732 CG1 VAL A 50 12.018 -3.771 -11.519 1.00 0.00 C ATOM 733 CG2 VAL A 50 12.670 -2.359 -9.566 1.00 0.00 C ATOM 0 H VAL A 50 12.343 -5.116 -9.764 1.00 0.00 H new ATOM 0 HA VAL A 50 14.783 -4.545 -11.182 1.00 0.00 H new ATOM 0 HB VAL A 50 13.697 -2.419 -11.458 1.00 0.00 H new ATOM 0 HG11 VAL A 50 11.313 -3.003 -11.838 1.00 0.00 H new ATOM 0 HG12 VAL A 50 12.387 -4.309 -12.392 1.00 0.00 H new ATOM 0 HG13 VAL A 50 11.516 -4.468 -10.848 1.00 0.00 H new ATOM 0 HG21 VAL A 50 11.967 -1.591 -9.887 1.00 0.00 H new ATOM 0 HG22 VAL A 50 12.166 -3.055 -8.895 1.00 0.00 H new ATOM 0 HG23 VAL A 50 13.505 -1.892 -9.044 1.00 0.00 H new ATOM 743 N PHE A 51 14.637 -3.462 -8.085 1.00 0.00 N ATOM 744 CA PHE A 51 15.510 -2.963 -6.989 1.00 0.00 C ATOM 745 C PHE A 51 16.581 -4.011 -6.693 1.00 0.00 C ATOM 746 O PHE A 51 17.728 -3.699 -6.448 1.00 0.00 O ATOM 747 CB PHE A 51 14.576 -2.782 -5.791 1.00 0.00 C ATOM 748 CG PHE A 51 15.389 -2.690 -4.522 1.00 0.00 C ATOM 749 CD1 PHE A 51 16.343 -1.676 -4.373 1.00 0.00 C ATOM 750 CD2 PHE A 51 15.186 -3.617 -3.493 1.00 0.00 C ATOM 751 CE1 PHE A 51 17.094 -1.590 -3.195 1.00 0.00 C ATOM 752 CE2 PHE A 51 15.938 -3.531 -2.315 1.00 0.00 C ATOM 753 CZ PHE A 51 16.892 -2.517 -2.166 1.00 0.00 C ATOM 0 H PHE A 51 13.665 -3.628 -7.825 1.00 0.00 H new ATOM 0 HA PHE A 51 16.021 -2.033 -7.236 1.00 0.00 H new ATOM 0 HB2 PHE A 51 13.977 -1.880 -5.917 1.00 0.00 H new ATOM 0 HB3 PHE A 51 13.881 -3.620 -5.729 1.00 0.00 H new ATOM 0 HD1 PHE A 51 16.499 -0.960 -5.167 1.00 0.00 H new ATOM 0 HD2 PHE A 51 14.449 -4.398 -3.608 1.00 0.00 H new ATOM 0 HE1 PHE A 51 17.830 -0.808 -3.080 1.00 0.00 H new ATOM 0 HE2 PHE A 51 15.782 -4.247 -1.521 1.00 0.00 H new ATOM 0 HZ PHE A 51 17.472 -2.450 -1.257 1.00 0.00 H new ATOM 763 N PHE A 52 16.205 -5.259 -6.735 1.00 0.00 N ATOM 764 CA PHE A 52 17.188 -6.348 -6.481 1.00 0.00 C ATOM 765 C PHE A 52 18.218 -6.374 -7.610 1.00 0.00 C ATOM 766 O PHE A 52 19.393 -6.590 -7.392 1.00 0.00 O ATOM 767 CB PHE A 52 16.359 -7.633 -6.482 1.00 0.00 C ATOM 768 CG PHE A 52 15.936 -7.972 -5.073 1.00 0.00 C ATOM 769 CD1 PHE A 52 16.846 -7.846 -4.015 1.00 0.00 C ATOM 770 CD2 PHE A 52 14.632 -8.416 -4.825 1.00 0.00 C ATOM 771 CE1 PHE A 52 16.449 -8.164 -2.711 1.00 0.00 C ATOM 772 CE2 PHE A 52 14.236 -8.734 -3.521 1.00 0.00 C ATOM 773 CZ PHE A 52 15.145 -8.609 -2.464 1.00 0.00 C ATOM 0 H PHE A 52 15.255 -5.572 -6.935 1.00 0.00 H new ATOM 0 HA PHE A 52 17.732 -6.219 -5.545 1.00 0.00 H new ATOM 0 HB2 PHE A 52 15.480 -7.509 -7.115 1.00 0.00 H new ATOM 0 HB3 PHE A 52 16.942 -8.452 -6.903 1.00 0.00 H new ATOM 0 HD1 PHE A 52 17.853 -7.504 -4.205 1.00 0.00 H new ATOM 0 HD2 PHE A 52 13.931 -8.513 -5.641 1.00 0.00 H new ATOM 0 HE1 PHE A 52 17.149 -8.066 -1.895 1.00 0.00 H new ATOM 0 HE2 PHE A 52 13.229 -9.076 -3.330 1.00 0.00 H new ATOM 0 HZ PHE A 52 14.840 -8.856 -1.458 1.00 0.00 H new ATOM 783 N GLN A 53 17.780 -6.146 -8.818 1.00 0.00 N ATOM 784 CA GLN A 53 18.726 -6.145 -9.969 1.00 0.00 C ATOM 785 C GLN A 53 19.739 -5.012 -9.803 1.00 0.00 C ATOM 786 O GLN A 53 20.925 -5.189 -9.997 1.00 0.00 O ATOM 787 CB GLN A 53 17.846 -5.903 -11.194 1.00 0.00 C ATOM 788 CG GLN A 53 18.547 -6.435 -12.444 1.00 0.00 C ATOM 789 CD GLN A 53 17.924 -5.796 -13.686 1.00 0.00 C ATOM 790 OE1 GLN A 53 18.542 -5.745 -14.732 1.00 0.00 O ATOM 791 NE2 GLN A 53 16.717 -5.302 -13.617 1.00 0.00 N ATOM 0 H GLN A 53 16.806 -5.960 -9.058 1.00 0.00 H new ATOM 0 HA GLN A 53 19.292 -7.073 -10.051 1.00 0.00 H new ATOM 0 HB2 GLN A 53 16.884 -6.398 -11.066 1.00 0.00 H new ATOM 0 HB3 GLN A 53 17.644 -4.838 -11.304 1.00 0.00 H new ATOM 0 HG2 GLN A 53 19.612 -6.209 -12.401 1.00 0.00 H new ATOM 0 HG3 GLN A 53 18.453 -7.520 -12.493 1.00 0.00 H new ATOM 0 HE21 GLN A 53 16.198 -5.344 -12.740 1.00 0.00 H new ATOM 0 HE22 GLN A 53 16.293 -4.874 -14.440 1.00 0.00 H new ATOM 800 N ALA A 54 19.275 -3.847 -9.444 1.00 0.00 N ATOM 801 CA ALA A 54 20.203 -2.697 -9.260 1.00 0.00 C ATOM 802 C ALA A 54 21.211 -3.006 -8.149 1.00 0.00 C ATOM 803 O ALA A 54 22.383 -2.703 -8.260 1.00 0.00 O ATOM 804 CB ALA A 54 19.305 -1.525 -8.862 1.00 0.00 C ATOM 0 H ALA A 54 18.291 -3.642 -9.270 1.00 0.00 H new ATOM 0 HA ALA A 54 20.779 -2.480 -10.160 1.00 0.00 H new ATOM 0 HB1 ALA A 54 19.915 -0.635 -8.707 1.00 0.00 H new ATOM 0 HB2 ALA A 54 18.581 -1.335 -9.655 1.00 0.00 H new ATOM 0 HB3 ALA A 54 18.777 -1.768 -7.940 1.00 0.00 H new ATOM 810 N GLU A 55 20.766 -3.609 -7.080 1.00 0.00 N ATOM 811 CA GLU A 55 21.703 -3.935 -5.968 1.00 0.00 C ATOM 812 C GLU A 55 22.969 -4.587 -6.525 1.00 0.00 C ATOM 813 O GLU A 55 24.051 -4.422 -5.996 1.00 0.00 O ATOM 814 CB GLU A 55 20.938 -4.915 -5.078 1.00 0.00 C ATOM 815 CG GLU A 55 19.913 -4.147 -4.241 1.00 0.00 C ATOM 816 CD GLU A 55 19.249 -5.099 -3.245 1.00 0.00 C ATOM 817 OE1 GLU A 55 19.630 -6.258 -3.218 1.00 0.00 O ATOM 818 OE2 GLU A 55 18.369 -4.654 -2.526 1.00 0.00 O ATOM 0 H GLU A 55 19.797 -3.889 -6.929 1.00 0.00 H new ATOM 0 HA GLU A 55 22.017 -3.049 -5.416 1.00 0.00 H new ATOM 0 HB2 GLU A 55 20.436 -5.664 -5.690 1.00 0.00 H new ATOM 0 HB3 GLU A 55 21.630 -5.448 -4.426 1.00 0.00 H new ATOM 0 HG2 GLU A 55 20.401 -3.330 -3.709 1.00 0.00 H new ATOM 0 HG3 GLU A 55 19.160 -3.700 -4.890 1.00 0.00 H new ATOM 825 N GLU A 56 22.843 -5.323 -7.594 1.00 0.00 N ATOM 826 CA GLU A 56 24.041 -5.982 -8.190 1.00 0.00 C ATOM 827 C GLU A 56 25.031 -4.922 -8.678 1.00 0.00 C ATOM 828 O GLU A 56 26.213 -5.174 -8.804 1.00 0.00 O ATOM 829 CB GLU A 56 23.500 -6.794 -9.368 1.00 0.00 C ATOM 830 CG GLU A 56 24.639 -7.602 -9.995 1.00 0.00 C ATOM 831 CD GLU A 56 24.118 -8.342 -11.229 1.00 0.00 C ATOM 832 OE1 GLU A 56 22.944 -8.202 -11.529 1.00 0.00 O ATOM 833 OE2 GLU A 56 24.903 -9.037 -11.854 1.00 0.00 O ATOM 0 H GLU A 56 21.964 -5.497 -8.081 1.00 0.00 H new ATOM 0 HA GLU A 56 24.571 -6.609 -7.473 1.00 0.00 H new ATOM 0 HB2 GLU A 56 22.708 -7.463 -9.030 1.00 0.00 H new ATOM 0 HB3 GLU A 56 23.060 -6.129 -10.111 1.00 0.00 H new ATOM 0 HG2 GLU A 56 25.459 -6.940 -10.274 1.00 0.00 H new ATOM 0 HG3 GLU A 56 25.036 -8.314 -9.271 1.00 0.00 H new