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 Set 1.1: A 43 ASN : amide:sc= -1.51! C(o=-0.83!,f=-17!) USER MOD Set 1.2: A 46 SER OG : rot 85:sc= 0.685 USER MOD Single : A 7 SER OG : rot -45:sc= -2.07! USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -0.359 K(o=-0.36,f=-5!) USER MOD Single : A 15 TYR OH : rot 165:sc= -0.35 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= -0.322 X(o=-0.32,f=-0.038) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.0911 USER MOD Single : A 30 ASN : amide:sc= -2.09! C(o=-2.1!,f=-0.83!) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 HIS : no HD1:sc= -2.62! K(o=-2.6!,f=-1.2) USER MOD Single : A 44 THR OG1 : rot 82:sc= 0.192 USER MOD Single : A 47 MET CE :methyl -149:sc= -0.999 (180deg=-3.25!) USER MOD Single : A 53 GLN : amide:sc= -0.671 K(o=-0.67,f=0) USER MOD ----------------------------------------------------------------- ATOM 82 N SER A 7 12.981 1.616 4.370 1.00 0.00 N ATOM 83 CA SER A 7 13.903 1.541 3.204 1.00 0.00 C ATOM 84 C SER A 7 13.508 0.371 2.299 1.00 0.00 C ATOM 85 O SER A 7 12.941 -0.605 2.745 1.00 0.00 O ATOM 86 CB SER A 7 15.281 1.304 3.816 1.00 0.00 C ATOM 87 OG SER A 7 15.249 0.134 4.619 1.00 0.00 O ATOM 0 HA SER A 7 13.877 2.441 2.590 1.00 0.00 H new ATOM 0 HB2 SER A 7 16.027 1.197 3.028 1.00 0.00 H new ATOM 0 HB3 SER A 7 15.575 2.163 4.419 1.00 0.00 H new ATOM 0 HG SER A 7 14.446 0.144 5.180 1.00 0.00 H new ATOM 93 N TYR A 8 13.804 0.461 1.033 1.00 0.00 N ATOM 94 CA TYR A 8 13.443 -0.650 0.107 1.00 0.00 C ATOM 95 C TYR A 8 14.213 -1.918 0.481 1.00 0.00 C ATOM 96 O TYR A 8 13.641 -2.979 0.634 1.00 0.00 O ATOM 97 CB TYR A 8 13.848 -0.155 -1.281 1.00 0.00 C ATOM 98 CG TYR A 8 13.011 1.050 -1.639 1.00 0.00 C ATOM 99 CD1 TYR A 8 11.644 1.063 -1.338 1.00 0.00 C ATOM 100 CD2 TYR A 8 13.601 2.153 -2.267 1.00 0.00 C ATOM 101 CE1 TYR A 8 10.865 2.179 -1.665 1.00 0.00 C ATOM 102 CE2 TYR A 8 12.823 3.270 -2.594 1.00 0.00 C ATOM 103 CZ TYR A 8 11.455 3.283 -2.293 1.00 0.00 C ATOM 104 OH TYR A 8 10.688 4.384 -2.617 1.00 0.00 O ATOM 0 H TYR A 8 14.279 1.253 0.599 1.00 0.00 H new ATOM 0 HA TYR A 8 12.383 -0.902 0.152 1.00 0.00 H new ATOM 0 HB2 TYR A 8 14.906 0.105 -1.294 1.00 0.00 H new ATOM 0 HB3 TYR A 8 13.705 -0.945 -2.019 1.00 0.00 H new ATOM 0 HD1 TYR A 8 11.190 0.211 -0.853 1.00 0.00 H new ATOM 0 HD2 TYR A 8 14.656 2.142 -2.499 1.00 0.00 H new ATOM 0 HE1 TYR A 8 9.810 2.189 -1.433 1.00 0.00 H new ATOM 0 HE2 TYR A 8 13.278 4.122 -3.078 1.00 0.00 H new ATOM 0 HH TYR A 8 11.252 5.061 -3.046 1.00 0.00 H new ATOM 114 N ALA A 9 15.505 -1.818 0.638 1.00 0.00 N ATOM 115 CA ALA A 9 16.299 -3.023 1.011 1.00 0.00 C ATOM 116 C ALA A 9 15.591 -3.783 2.134 1.00 0.00 C ATOM 117 O ALA A 9 15.712 -4.985 2.258 1.00 0.00 O ATOM 118 CB ALA A 9 17.644 -2.480 1.493 1.00 0.00 C ATOM 0 H ALA A 9 16.043 -0.959 0.525 1.00 0.00 H new ATOM 0 HA ALA A 9 16.419 -3.717 0.179 1.00 0.00 H new ATOM 0 HB1 ALA A 9 18.287 -3.310 1.787 1.00 0.00 H new ATOM 0 HB2 ALA A 9 18.120 -1.919 0.688 1.00 0.00 H new ATOM 0 HB3 ALA A 9 17.486 -1.823 2.348 1.00 0.00 H new ATOM 124 N GLU A 10 14.844 -3.088 2.950 1.00 0.00 N ATOM 125 CA GLU A 10 14.119 -3.766 4.063 1.00 0.00 C ATOM 126 C GLU A 10 12.721 -4.175 3.596 1.00 0.00 C ATOM 127 O GLU A 10 12.265 -5.273 3.845 1.00 0.00 O ATOM 128 CB GLU A 10 14.028 -2.721 5.175 1.00 0.00 C ATOM 129 CG GLU A 10 15.428 -2.412 5.705 1.00 0.00 C ATOM 130 CD GLU A 10 15.316 -1.617 7.006 1.00 0.00 C ATOM 131 OE1 GLU A 10 14.215 -1.203 7.331 1.00 0.00 O ATOM 132 OE2 GLU A 10 16.332 -1.435 7.656 1.00 0.00 O ATOM 0 H GLU A 10 14.705 -2.079 2.893 1.00 0.00 H new ATOM 0 HA GLU A 10 14.625 -4.671 4.400 1.00 0.00 H new ATOM 0 HB2 GLU A 10 13.563 -1.811 4.795 1.00 0.00 H new ATOM 0 HB3 GLU A 10 13.396 -3.089 5.983 1.00 0.00 H new ATOM 0 HG2 GLU A 10 15.976 -3.338 5.878 1.00 0.00 H new ATOM 0 HG3 GLU A 10 15.991 -1.843 4.966 1.00 0.00 H new ATOM 139 N LEU A 11 12.041 -3.295 2.912 1.00 0.00 N ATOM 140 CA LEU A 11 10.674 -3.624 2.417 1.00 0.00 C ATOM 141 C LEU A 11 10.743 -4.825 1.475 1.00 0.00 C ATOM 142 O LEU A 11 10.258 -5.896 1.779 1.00 0.00 O ATOM 143 CB LEU A 11 10.216 -2.375 1.666 1.00 0.00 C ATOM 144 CG LEU A 11 8.689 -2.293 1.694 1.00 0.00 C ATOM 145 CD1 LEU A 11 8.244 -1.525 2.940 1.00 0.00 C ATOM 146 CD2 LEU A 11 8.197 -1.562 0.443 1.00 0.00 C ATOM 0 H LEU A 11 12.374 -2.361 2.674 1.00 0.00 H new ATOM 0 HA LEU A 11 9.987 -3.886 3.222 1.00 0.00 H new ATOM 0 HB2 LEU A 11 10.647 -1.484 2.123 1.00 0.00 H new ATOM 0 HB3 LEU A 11 10.570 -2.407 0.636 1.00 0.00 H new ATOM 0 HG LEU A 11 8.270 -3.299 1.717 1.00 0.00 H new ATOM 0 HD11 LEU A 11 7.156 -1.466 2.961 1.00 0.00 H new ATOM 0 HD12 LEU A 11 8.597 -2.043 3.832 1.00 0.00 H new ATOM 0 HD13 LEU A 11 8.662 -0.519 2.916 1.00 0.00 H new ATOM 0 HD21 LEU A 11 7.109 -1.502 0.461 1.00 0.00 H new ATOM 0 HD22 LEU A 11 8.615 -0.556 0.421 1.00 0.00 H new ATOM 0 HD23 LEU A 11 8.516 -2.107 -0.446 1.00 0.00 H new ATOM 158 N CYS A 12 11.353 -4.653 0.338 1.00 0.00 N ATOM 159 CA CYS A 12 11.470 -5.786 -0.623 1.00 0.00 C ATOM 160 C CYS A 12 12.234 -6.937 0.030 1.00 0.00 C ATOM 161 O CYS A 12 12.226 -8.054 -0.448 1.00 0.00 O ATOM 162 CB CYS A 12 12.251 -5.221 -1.808 1.00 0.00 C ATOM 163 SG CYS A 12 11.102 -4.429 -2.960 1.00 0.00 S ATOM 0 H CYS A 12 11.776 -3.777 0.031 1.00 0.00 H new ATOM 0 HA CYS A 12 10.501 -6.178 -0.931 1.00 0.00 H new ATOM 0 HB2 CYS A 12 12.990 -4.499 -1.460 1.00 0.00 H new ATOM 0 HB3 CYS A 12 12.797 -6.019 -2.312 1.00 0.00 H new ATOM 168 N ASN A 13 12.894 -6.669 1.123 1.00 0.00 N ATOM 169 CA ASN A 13 13.660 -7.738 1.821 1.00 0.00 C ATOM 170 C ASN A 13 12.853 -9.037 1.847 1.00 0.00 C ATOM 171 O ASN A 13 13.349 -10.095 1.519 1.00 0.00 O ATOM 172 CB ASN A 13 13.860 -7.207 3.239 1.00 0.00 C ATOM 173 CG ASN A 13 14.964 -8.005 3.935 1.00 0.00 C ATOM 174 OD1 ASN A 13 15.715 -8.711 3.292 1.00 0.00 O ATOM 175 ND2 ASN A 13 15.095 -7.922 5.230 1.00 0.00 N ATOM 0 H ASN A 13 12.935 -5.750 1.564 1.00 0.00 H new ATOM 0 HA ASN A 13 14.605 -7.962 1.327 1.00 0.00 H new ATOM 0 HB2 ASN A 13 14.125 -6.150 3.208 1.00 0.00 H new ATOM 0 HB3 ASN A 13 12.930 -7.286 3.802 1.00 0.00 H new ATOM 0 HD21 ASN A 13 15.828 -8.450 5.703 1.00 0.00 H new ATOM 0 HD22 ASN A 13 14.464 -7.329 5.769 1.00 0.00 H new ATOM 182 N GLU A 14 11.612 -8.964 2.237 1.00 0.00 N ATOM 183 CA GLU A 14 10.774 -10.196 2.282 1.00 0.00 C ATOM 184 C GLU A 14 10.921 -10.979 0.975 1.00 0.00 C ATOM 185 O GLU A 14 10.703 -12.173 0.927 1.00 0.00 O ATOM 186 CB GLU A 14 9.339 -9.696 2.453 1.00 0.00 C ATOM 187 CG GLU A 14 8.971 -9.700 3.938 1.00 0.00 C ATOM 188 CD GLU A 14 7.536 -9.199 4.111 1.00 0.00 C ATOM 189 OE1 GLU A 14 6.821 -9.154 3.123 1.00 0.00 O ATOM 190 OE2 GLU A 14 7.175 -8.869 5.228 1.00 0.00 O ATOM 0 H GLU A 14 11.141 -8.107 2.526 1.00 0.00 H new ATOM 0 HA GLU A 14 11.067 -10.867 3.089 1.00 0.00 H new ATOM 0 HB2 GLU A 14 9.242 -8.689 2.046 1.00 0.00 H new ATOM 0 HB3 GLU A 14 8.652 -10.332 1.895 1.00 0.00 H new ATOM 0 HG2 GLU A 14 9.067 -10.707 4.344 1.00 0.00 H new ATOM 0 HG3 GLU A 14 9.659 -9.064 4.495 1.00 0.00 H new ATOM 197 N TYR A 15 11.296 -10.315 -0.086 1.00 0.00 N ATOM 198 CA TYR A 15 11.464 -11.023 -1.386 1.00 0.00 C ATOM 199 C TYR A 15 12.905 -11.521 -1.522 1.00 0.00 C ATOM 200 O TYR A 15 13.217 -12.325 -2.378 1.00 0.00 O ATOM 201 CB TYR A 15 11.152 -9.977 -2.454 1.00 0.00 C ATOM 202 CG TYR A 15 9.677 -9.653 -2.427 1.00 0.00 C ATOM 203 CD1 TYR A 15 8.762 -10.501 -3.060 1.00 0.00 C ATOM 204 CD2 TYR A 15 9.229 -8.502 -1.769 1.00 0.00 C ATOM 205 CE1 TYR A 15 7.396 -10.198 -3.035 1.00 0.00 C ATOM 206 CE2 TYR A 15 7.862 -8.200 -1.744 1.00 0.00 C ATOM 207 CZ TYR A 15 6.946 -9.047 -2.377 1.00 0.00 C ATOM 208 OH TYR A 15 5.598 -8.748 -2.352 1.00 0.00 O ATOM 0 H TYR A 15 11.493 -9.314 -0.108 1.00 0.00 H new ATOM 0 HA TYR A 15 10.813 -11.893 -1.474 1.00 0.00 H new ATOM 0 HB2 TYR A 15 11.737 -9.074 -2.276 1.00 0.00 H new ATOM 0 HB3 TYR A 15 11.435 -10.351 -3.438 1.00 0.00 H new ATOM 0 HD1 TYR A 15 9.110 -11.389 -3.568 1.00 0.00 H new ATOM 0 HD2 TYR A 15 9.936 -7.848 -1.281 1.00 0.00 H new ATOM 0 HE1 TYR A 15 6.689 -10.852 -3.523 1.00 0.00 H new ATOM 0 HE2 TYR A 15 7.515 -7.313 -1.236 1.00 0.00 H new ATOM 0 HH TYR A 15 5.427 -8.067 -1.668 1.00 0.00 H new ATOM 218 N ARG A 16 13.780 -11.058 -0.675 1.00 0.00 N ATOM 219 CA ARG A 16 15.197 -11.513 -0.744 1.00 0.00 C ATOM 220 C ARG A 16 15.253 -13.039 -0.673 1.00 0.00 C ATOM 221 O ARG A 16 16.125 -13.668 -1.238 1.00 0.00 O ATOM 222 CB ARG A 16 15.862 -10.901 0.484 1.00 0.00 C ATOM 223 CG ARG A 16 17.300 -10.516 0.147 1.00 0.00 C ATOM 224 CD ARG A 16 17.833 -9.596 1.241 1.00 0.00 C ATOM 225 NE ARG A 16 17.259 -8.259 0.923 1.00 0.00 N ATOM 226 CZ ARG A 16 18.008 -7.193 0.995 1.00 0.00 C ATOM 227 NH1 ARG A 16 17.744 -6.268 1.874 1.00 0.00 N ATOM 228 NH2 ARG A 16 19.022 -7.054 0.184 1.00 0.00 N ATOM 0 H ARG A 16 13.576 -10.384 0.063 1.00 0.00 H new ATOM 0 HA ARG A 16 15.690 -11.213 -1.669 1.00 0.00 H new ATOM 0 HB2 ARG A 16 15.306 -10.022 0.811 1.00 0.00 H new ATOM 0 HB3 ARG A 16 15.849 -11.612 1.310 1.00 0.00 H new ATOM 0 HG2 ARG A 16 17.921 -11.408 0.069 1.00 0.00 H new ATOM 0 HG3 ARG A 16 17.340 -10.015 -0.820 1.00 0.00 H new ATOM 0 HD2 ARG A 16 17.523 -9.935 2.229 1.00 0.00 H new ATOM 0 HD3 ARG A 16 18.923 -9.570 1.240 1.00 0.00 H new ATOM 0 HE ARG A 16 16.280 -8.177 0.649 1.00 0.00 H new ATOM 0 HH11 ARG A 16 16.951 -6.377 2.507 1.00 0.00 H new ATOM 0 HH12 ARG A 16 18.330 -5.435 1.930 1.00 0.00 H new ATOM 0 HH21 ARG A 16 19.227 -7.778 -0.504 1.00 0.00 H new ATOM 0 HH22 ARG A 16 19.609 -6.221 0.239 1.00 0.00 H new ATOM 242 N LYS A 17 14.314 -13.635 0.008 1.00 0.00 N ATOM 243 CA LYS A 17 14.294 -15.121 0.107 1.00 0.00 C ATOM 244 C LYS A 17 13.744 -15.707 -1.195 1.00 0.00 C ATOM 245 O LYS A 17 13.608 -16.905 -1.343 1.00 0.00 O ATOM 246 CB LYS A 17 13.357 -15.436 1.277 1.00 0.00 C ATOM 247 CG LYS A 17 13.637 -14.479 2.440 1.00 0.00 C ATOM 248 CD LYS A 17 12.970 -15.013 3.709 1.00 0.00 C ATOM 249 CE LYS A 17 11.516 -14.539 3.759 1.00 0.00 C ATOM 250 NZ LYS A 17 10.729 -15.754 4.110 1.00 0.00 N ATOM 0 H LYS A 17 13.559 -13.157 0.500 1.00 0.00 H new ATOM 0 HA LYS A 17 15.286 -15.545 0.266 1.00 0.00 H new ATOM 0 HB2 LYS A 17 12.319 -15.342 0.959 1.00 0.00 H new ATOM 0 HB3 LYS A 17 13.499 -16.467 1.601 1.00 0.00 H new ATOM 0 HG2 LYS A 17 14.712 -14.381 2.594 1.00 0.00 H new ATOM 0 HG3 LYS A 17 13.257 -13.485 2.207 1.00 0.00 H new ATOM 0 HD2 LYS A 17 13.009 -16.102 3.723 1.00 0.00 H new ATOM 0 HD3 LYS A 17 13.508 -14.664 4.590 1.00 0.00 H new ATOM 0 HE2 LYS A 17 11.382 -13.753 4.502 1.00 0.00 H new ATOM 0 HE3 LYS A 17 11.201 -14.128 2.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 9.719 -15.510 4.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 10.871 -16.482 3.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 11.046 -16.119 5.031 1.00 0.00 H new ATOM 264 N LEU A 18 13.429 -14.862 -2.140 1.00 0.00 N ATOM 265 CA LEU A 18 12.888 -15.348 -3.437 1.00 0.00 C ATOM 266 C LEU A 18 13.901 -15.077 -4.553 1.00 0.00 C ATOM 267 O LEU A 18 13.991 -15.812 -5.516 1.00 0.00 O ATOM 268 CB LEU A 18 11.615 -14.529 -3.655 1.00 0.00 C ATOM 269 CG LEU A 18 10.587 -14.870 -2.571 1.00 0.00 C ATOM 270 CD1 LEU A 18 10.994 -14.228 -1.245 1.00 0.00 C ATOM 271 CD2 LEU A 18 9.216 -14.339 -2.988 1.00 0.00 C ATOM 0 H LEU A 18 13.525 -13.849 -2.066 1.00 0.00 H new ATOM 0 HA LEU A 18 12.689 -16.420 -3.438 1.00 0.00 H new ATOM 0 HB2 LEU A 18 11.847 -13.464 -3.627 1.00 0.00 H new ATOM 0 HB3 LEU A 18 11.201 -14.739 -4.641 1.00 0.00 H new ATOM 0 HG LEU A 18 10.543 -15.952 -2.448 1.00 0.00 H new ATOM 0 HD11 LEU A 18 10.258 -14.475 -0.480 1.00 0.00 H new ATOM 0 HD12 LEU A 18 11.971 -14.604 -0.943 1.00 0.00 H new ATOM 0 HD13 LEU A 18 11.043 -13.146 -1.365 1.00 0.00 H new ATOM 0 HD21 LEU A 18 8.483 -14.580 -2.218 1.00 0.00 H new ATOM 0 HD22 LEU A 18 9.268 -13.257 -3.114 1.00 0.00 H new ATOM 0 HD23 LEU A 18 8.918 -14.800 -3.930 1.00 0.00 H new ATOM 283 N VAL A 19 14.666 -14.026 -4.428 1.00 0.00 N ATOM 284 CA VAL A 19 15.676 -13.706 -5.476 1.00 0.00 C ATOM 285 C VAL A 19 17.090 -13.934 -4.935 1.00 0.00 C ATOM 286 O VAL A 19 17.494 -13.339 -3.955 1.00 0.00 O ATOM 287 CB VAL A 19 15.459 -12.228 -5.807 1.00 0.00 C ATOM 288 CG1 VAL A 19 15.378 -11.414 -4.515 1.00 0.00 C ATOM 289 CG2 VAL A 19 16.623 -11.720 -6.659 1.00 0.00 C ATOM 0 H VAL A 19 14.634 -13.375 -3.644 1.00 0.00 H new ATOM 0 HA VAL A 19 15.567 -14.338 -6.357 1.00 0.00 H new ATOM 0 HB VAL A 19 14.526 -12.117 -6.360 1.00 0.00 H new ATOM 0 HG11 VAL A 19 15.223 -10.362 -4.757 1.00 0.00 H new ATOM 0 HG12 VAL A 19 14.546 -11.773 -3.910 1.00 0.00 H new ATOM 0 HG13 VAL A 19 16.307 -11.525 -3.956 1.00 0.00 H new ATOM 0 HG21 VAL A 19 16.469 -10.667 -6.895 1.00 0.00 H new ATOM 0 HG22 VAL A 19 17.556 -11.835 -6.107 1.00 0.00 H new ATOM 0 HG23 VAL A 19 16.675 -12.295 -7.583 1.00 0.00 H new ATOM 299 N ARG A 20 17.841 -14.797 -5.560 1.00 0.00 N ATOM 300 CA ARG A 20 19.226 -15.069 -5.078 1.00 0.00 C ATOM 301 C ARG A 20 20.200 -14.019 -5.617 1.00 0.00 C ATOM 302 O ARG A 20 20.636 -13.137 -4.903 1.00 0.00 O ATOM 303 CB ARG A 20 19.570 -16.455 -5.626 1.00 0.00 C ATOM 304 CG ARG A 20 18.507 -17.458 -5.173 1.00 0.00 C ATOM 305 CD ARG A 20 18.451 -17.482 -3.645 1.00 0.00 C ATOM 306 NE ARG A 20 17.627 -18.677 -3.311 1.00 0.00 N ATOM 307 CZ ARG A 20 17.766 -19.263 -2.153 1.00 0.00 C ATOM 308 NH1 ARG A 20 17.820 -18.549 -1.063 1.00 0.00 N ATOM 309 NH2 ARG A 20 17.851 -20.564 -2.086 1.00 0.00 N ATOM 0 H ARG A 20 17.557 -15.326 -6.384 1.00 0.00 H new ATOM 0 HA ARG A 20 19.297 -15.029 -3.991 1.00 0.00 H new ATOM 0 HB2 ARG A 20 19.618 -16.426 -6.715 1.00 0.00 H new ATOM 0 HB3 ARG A 20 20.553 -16.765 -5.271 1.00 0.00 H new ATOM 0 HG2 ARG A 20 17.534 -17.182 -5.579 1.00 0.00 H new ATOM 0 HG3 ARG A 20 18.742 -18.451 -5.555 1.00 0.00 H new ATOM 0 HD2 ARG A 20 19.449 -17.557 -3.214 1.00 0.00 H new ATOM 0 HD3 ARG A 20 18.002 -16.570 -3.252 1.00 0.00 H new ATOM 0 HE ARG A 20 16.954 -19.037 -3.987 1.00 0.00 H new ATOM 0 HH11 ARG A 20 17.754 -17.533 -1.115 1.00 0.00 H new ATOM 0 HH12 ARG A 20 17.929 -19.007 -0.158 1.00 0.00 H new ATOM 0 HH21 ARG A 20 17.809 -21.122 -2.939 1.00 0.00 H new ATOM 0 HH22 ARG A 20 17.960 -21.022 -1.181 1.00 0.00 H new ATOM 323 N ASN A 21 20.548 -14.106 -6.870 1.00 0.00 N ATOM 324 CA ASN A 21 21.498 -13.114 -7.451 1.00 0.00 C ATOM 325 C ASN A 21 20.899 -12.466 -8.702 1.00 0.00 C ATOM 326 O ASN A 21 21.425 -12.589 -9.789 1.00 0.00 O ATOM 327 CB ASN A 21 22.743 -13.926 -7.812 1.00 0.00 C ATOM 328 CG ASN A 21 23.208 -14.716 -6.589 1.00 0.00 C ATOM 329 OD1 ASN A 21 23.935 -14.205 -5.759 1.00 0.00 O ATOM 330 ND2 ASN A 21 22.816 -15.952 -6.443 1.00 0.00 N ATOM 0 H ASN A 21 20.216 -14.821 -7.518 1.00 0.00 H new ATOM 0 HA ASN A 21 21.722 -12.305 -6.756 1.00 0.00 H new ATOM 0 HB2 ASN A 21 22.521 -14.606 -8.635 1.00 0.00 H new ATOM 0 HB3 ASN A 21 23.537 -13.262 -8.153 1.00 0.00 H new ATOM 0 HD21 ASN A 21 23.119 -16.491 -5.632 1.00 0.00 H new ATOM 0 HD22 ASN A 21 22.206 -16.379 -7.140 1.00 0.00 H new ATOM 337 N GLY A 22 19.804 -11.771 -8.555 1.00 0.00 N ATOM 338 CA GLY A 22 19.178 -11.112 -9.736 1.00 0.00 C ATOM 339 C GLY A 22 18.146 -12.051 -10.364 1.00 0.00 C ATOM 340 O GLY A 22 17.766 -11.894 -11.507 1.00 0.00 O ATOM 0 H GLY A 22 19.317 -11.631 -7.670 1.00 0.00 H new ATOM 0 HA2 GLY A 22 18.700 -10.180 -9.434 1.00 0.00 H new ATOM 0 HA3 GLY A 22 19.943 -10.854 -10.469 1.00 0.00 H new ATOM 344 N LYS A 23 17.687 -13.024 -9.627 1.00 0.00 N ATOM 345 CA LYS A 23 16.677 -13.968 -10.187 1.00 0.00 C ATOM 346 C LYS A 23 15.432 -13.997 -9.296 1.00 0.00 C ATOM 347 O LYS A 23 15.119 -14.996 -8.681 1.00 0.00 O ATOM 348 CB LYS A 23 17.368 -15.332 -10.195 1.00 0.00 C ATOM 349 CG LYS A 23 17.858 -15.668 -8.784 1.00 0.00 C ATOM 350 CD LYS A 23 18.490 -17.060 -8.782 1.00 0.00 C ATOM 351 CE LYS A 23 19.968 -16.951 -9.162 1.00 0.00 C ATOM 352 NZ LYS A 23 20.344 -18.315 -9.631 1.00 0.00 N ATOM 0 H LYS A 23 17.966 -13.207 -8.663 1.00 0.00 H new ATOM 0 HA LYS A 23 16.346 -13.677 -11.184 1.00 0.00 H new ATOM 0 HB2 LYS A 23 16.676 -16.099 -10.543 1.00 0.00 H new ATOM 0 HB3 LYS A 23 18.208 -15.321 -10.890 1.00 0.00 H new ATOM 0 HG2 LYS A 23 18.585 -14.926 -8.454 1.00 0.00 H new ATOM 0 HG3 LYS A 23 17.026 -15.634 -8.081 1.00 0.00 H new ATOM 0 HD2 LYS A 23 18.390 -17.515 -7.797 1.00 0.00 H new ATOM 0 HD3 LYS A 23 17.969 -17.708 -9.487 1.00 0.00 H new ATOM 0 HE2 LYS A 23 20.121 -16.208 -9.945 1.00 0.00 H new ATOM 0 HE3 LYS A 23 20.574 -16.645 -8.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 21.346 -18.322 -9.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 20.194 -19.000 -8.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 19.755 -18.576 -10.448 1.00 0.00 H new ATOM 366 N LEU A 24 14.715 -12.908 -9.225 1.00 0.00 N ATOM 367 CA LEU A 24 13.491 -12.876 -8.374 1.00 0.00 C ATOM 368 C LEU A 24 12.324 -13.548 -9.104 1.00 0.00 C ATOM 369 O LEU A 24 12.022 -13.228 -10.237 1.00 0.00 O ATOM 370 CB LEU A 24 13.196 -11.391 -8.152 1.00 0.00 C ATOM 371 CG LEU A 24 11.941 -11.241 -7.284 1.00 0.00 C ATOM 372 CD1 LEU A 24 12.016 -12.202 -6.098 1.00 0.00 C ATOM 373 CD2 LEU A 24 11.847 -9.808 -6.758 1.00 0.00 C ATOM 0 H LEU A 24 14.924 -12.040 -9.719 1.00 0.00 H new ATOM 0 HA LEU A 24 13.631 -13.408 -7.433 1.00 0.00 H new ATOM 0 HB2 LEU A 24 14.045 -10.909 -7.668 1.00 0.00 H new ATOM 0 HB3 LEU A 24 13.050 -10.892 -9.110 1.00 0.00 H new ATOM 0 HG LEU A 24 11.063 -11.470 -7.887 1.00 0.00 H new ATOM 0 HD11 LEU A 24 11.122 -12.092 -5.484 1.00 0.00 H new ATOM 0 HD12 LEU A 24 12.081 -13.227 -6.464 1.00 0.00 H new ATOM 0 HD13 LEU A 24 12.898 -11.973 -5.500 1.00 0.00 H new ATOM 0 HD21 LEU A 24 10.954 -9.705 -6.142 1.00 0.00 H new ATOM 0 HD22 LEU A 24 12.729 -9.581 -6.160 1.00 0.00 H new ATOM 0 HD23 LEU A 24 11.790 -9.115 -7.598 1.00 0.00 H new ATOM 385 N ALA A 25 11.668 -14.479 -8.466 1.00 0.00 N ATOM 386 CA ALA A 25 10.523 -15.170 -9.125 1.00 0.00 C ATOM 387 C ALA A 25 9.254 -15.020 -8.282 1.00 0.00 C ATOM 388 O ALA A 25 9.222 -15.381 -7.122 1.00 0.00 O ATOM 389 CB ALA A 25 10.943 -16.637 -9.206 1.00 0.00 C ATOM 0 H ALA A 25 11.875 -14.791 -7.517 1.00 0.00 H new ATOM 0 HA ALA A 25 10.299 -14.753 -10.107 1.00 0.00 H new ATOM 0 HB1 ALA A 25 10.151 -17.216 -9.681 1.00 0.00 H new ATOM 0 HB2 ALA A 25 11.857 -16.722 -9.794 1.00 0.00 H new ATOM 0 HB3 ALA A 25 11.121 -17.021 -8.201 1.00 0.00 H new ATOM 395 N CYS A 26 8.207 -14.493 -8.857 1.00 0.00 N ATOM 396 CA CYS A 26 6.940 -14.324 -8.091 1.00 0.00 C ATOM 397 C CYS A 26 5.753 -14.250 -9.054 1.00 0.00 C ATOM 398 O CYS A 26 5.918 -14.248 -10.258 1.00 0.00 O ATOM 399 CB CYS A 26 7.103 -13.006 -7.330 1.00 0.00 C ATOM 400 SG CYS A 26 7.377 -11.656 -8.503 1.00 0.00 S ATOM 0 H CYS A 26 8.175 -14.172 -9.825 1.00 0.00 H new ATOM 0 HA CYS A 26 6.750 -15.157 -7.415 1.00 0.00 H new ATOM 0 HB2 CYS A 26 6.213 -12.807 -6.733 1.00 0.00 H new ATOM 0 HB3 CYS A 26 7.942 -13.076 -6.638 1.00 0.00 H new ATOM 405 N THR A 27 4.558 -14.191 -8.537 1.00 0.00 N ATOM 406 CA THR A 27 3.363 -14.123 -9.427 1.00 0.00 C ATOM 407 C THR A 27 2.935 -12.667 -9.634 1.00 0.00 C ATOM 408 O THR A 27 3.388 -11.773 -8.948 1.00 0.00 O ATOM 409 CB THR A 27 2.276 -14.905 -8.690 1.00 0.00 C ATOM 410 OG1 THR A 27 2.335 -14.603 -7.302 1.00 0.00 O ATOM 411 CG2 THR A 27 2.495 -16.402 -8.900 1.00 0.00 C ATOM 0 H THR A 27 4.356 -14.187 -7.537 1.00 0.00 H new ATOM 0 HA THR A 27 3.562 -14.535 -10.416 1.00 0.00 H new ATOM 0 HB THR A 27 1.297 -14.625 -9.080 1.00 0.00 H new ATOM 0 HG1 THR A 27 1.637 -15.103 -6.829 1.00 0.00 H new ATOM 0 HG21 THR A 27 1.720 -16.960 -8.375 1.00 0.00 H new ATOM 0 HG22 THR A 27 2.448 -16.631 -9.965 1.00 0.00 H new ATOM 0 HG23 THR A 27 3.473 -16.685 -8.511 1.00 0.00 H new ATOM 419 N ARG A 28 2.064 -12.425 -10.575 1.00 0.00 N ATOM 420 CA ARG A 28 1.605 -11.029 -10.827 1.00 0.00 C ATOM 421 C ARG A 28 0.851 -10.491 -9.607 1.00 0.00 C ATOM 422 O ARG A 28 0.871 -9.310 -9.326 1.00 0.00 O ATOM 423 CB ARG A 28 0.671 -11.131 -12.033 1.00 0.00 C ATOM 424 CG ARG A 28 1.454 -11.655 -13.240 1.00 0.00 C ATOM 425 CD ARG A 28 0.539 -11.691 -14.464 1.00 0.00 C ATOM 426 NE ARG A 28 1.282 -12.498 -15.472 1.00 0.00 N ATOM 427 CZ ARG A 28 2.476 -12.130 -15.852 1.00 0.00 C ATOM 428 NH1 ARG A 28 2.853 -10.890 -15.702 1.00 0.00 N ATOM 429 NH2 ARG A 28 3.290 -13.001 -16.382 1.00 0.00 N ATOM 0 H ARG A 28 1.650 -13.134 -11.181 1.00 0.00 H new ATOM 0 HA ARG A 28 2.436 -10.348 -11.012 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -0.161 -11.799 -11.807 1.00 0.00 H new ATOM 0 HB3 ARG A 28 0.243 -10.154 -12.259 1.00 0.00 H new ATOM 0 HG2 ARG A 28 2.314 -11.015 -13.435 1.00 0.00 H new ATOM 0 HG3 ARG A 28 1.840 -12.653 -13.031 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -0.423 -12.145 -14.225 1.00 0.00 H new ATOM 0 HD3 ARG A 28 0.334 -10.687 -14.835 1.00 0.00 H new ATOM 0 HE ARG A 28 0.858 -13.338 -15.865 1.00 0.00 H new ATOM 0 HH11 ARG A 28 2.215 -10.210 -15.288 1.00 0.00 H new ATOM 0 HH12 ARG A 28 3.785 -10.601 -15.998 1.00 0.00 H new ATOM 0 HH21 ARG A 28 2.994 -13.970 -16.500 1.00 0.00 H new ATOM 0 HH22 ARG A 28 4.222 -12.713 -16.679 1.00 0.00 H new ATOM 443 N GLU A 29 0.190 -11.350 -8.882 1.00 0.00 N ATOM 444 CA GLU A 29 -0.564 -10.889 -7.679 1.00 0.00 C ATOM 445 C GLU A 29 -1.523 -9.756 -8.057 1.00 0.00 C ATOM 446 O GLU A 29 -1.448 -9.196 -9.132 1.00 0.00 O ATOM 447 CB GLU A 29 0.506 -10.388 -6.710 1.00 0.00 C ATOM 448 CG GLU A 29 -0.154 -9.968 -5.395 1.00 0.00 C ATOM 449 CD GLU A 29 0.912 -9.440 -4.434 1.00 0.00 C ATOM 450 OE1 GLU A 29 2.054 -9.331 -4.851 1.00 0.00 O ATOM 451 OE2 GLU A 29 0.570 -9.154 -3.299 1.00 0.00 O ATOM 0 H GLU A 29 0.138 -12.351 -9.069 1.00 0.00 H new ATOM 0 HA GLU A 29 -1.170 -11.682 -7.241 1.00 0.00 H new ATOM 0 HB2 GLU A 29 1.241 -11.171 -6.526 1.00 0.00 H new ATOM 0 HB3 GLU A 29 1.041 -9.545 -7.146 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -0.903 -9.199 -5.582 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -0.672 -10.817 -4.949 1.00 0.00 H new ATOM 458 N ASN A 30 -2.426 -9.414 -7.178 1.00 0.00 N ATOM 459 CA ASN A 30 -3.389 -8.318 -7.486 1.00 0.00 C ATOM 460 C ASN A 30 -3.109 -7.104 -6.596 1.00 0.00 C ATOM 461 O ASN A 30 -3.968 -6.645 -5.869 1.00 0.00 O ATOM 462 CB ASN A 30 -4.767 -8.903 -7.179 1.00 0.00 C ATOM 463 CG ASN A 30 -4.806 -9.382 -5.726 1.00 0.00 C ATOM 464 OD1 ASN A 30 -4.765 -8.585 -4.809 1.00 0.00 O ATOM 465 ND2 ASN A 30 -4.884 -10.661 -5.477 1.00 0.00 N ATOM 0 H ASN A 30 -2.538 -9.846 -6.261 1.00 0.00 H new ATOM 0 HA ASN A 30 -3.313 -7.979 -8.519 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -5.538 -8.151 -7.346 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -4.980 -9.733 -7.853 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -4.911 -10.992 -4.513 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -4.918 -11.329 -6.247 1.00 0.00 H new ATOM 472 N ASP A 31 -1.916 -6.579 -6.649 1.00 0.00 N ATOM 473 CA ASP A 31 -1.583 -5.395 -5.806 1.00 0.00 C ATOM 474 C ASP A 31 -0.624 -4.462 -6.554 1.00 0.00 C ATOM 475 O ASP A 31 0.555 -4.427 -6.262 1.00 0.00 O ATOM 476 CB ASP A 31 -0.909 -5.971 -4.561 1.00 0.00 C ATOM 477 CG ASP A 31 0.372 -6.702 -4.967 1.00 0.00 C ATOM 478 OD1 ASP A 31 0.356 -7.358 -5.995 1.00 0.00 O ATOM 479 OD2 ASP A 31 1.348 -6.593 -4.243 1.00 0.00 O ATOM 0 H ASP A 31 -1.157 -6.918 -7.240 1.00 0.00 H new ATOM 0 HA ASP A 31 -2.466 -4.806 -5.556 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -0.677 -5.172 -3.857 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -1.586 -6.657 -4.052 1.00 0.00 H new ATOM 484 N PRO A 32 -1.161 -3.730 -7.500 1.00 0.00 N ATOM 485 CA PRO A 32 -0.340 -2.789 -8.295 1.00 0.00 C ATOM 486 C PRO A 32 0.271 -1.717 -7.390 1.00 0.00 C ATOM 487 O PRO A 32 -0.370 -1.206 -6.494 1.00 0.00 O ATOM 488 CB PRO A 32 -1.362 -2.179 -9.258 1.00 0.00 C ATOM 489 CG PRO A 32 -2.742 -2.801 -8.974 1.00 0.00 C ATOM 490 CD PRO A 32 -2.605 -3.806 -7.823 1.00 0.00 C ATOM 0 HA PRO A 32 0.500 -3.262 -8.805 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -1.402 -1.097 -9.131 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -1.068 -2.368 -10.290 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -3.460 -2.023 -8.712 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -3.122 -3.299 -9.866 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -3.226 -3.533 -6.970 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -2.901 -4.811 -8.124 1.00 0.00 H new ATOM 498 N ILE A 33 1.504 -1.371 -7.622 1.00 0.00 N ATOM 499 CA ILE A 33 2.160 -0.328 -6.779 1.00 0.00 C ATOM 500 C ILE A 33 3.064 0.555 -7.644 1.00 0.00 C ATOM 501 O ILE A 33 3.011 0.518 -8.857 1.00 0.00 O ATOM 502 CB ILE A 33 2.978 -1.094 -5.723 1.00 0.00 C ATOM 503 CG1 ILE A 33 4.336 -1.509 -6.301 1.00 0.00 C ATOM 504 CG2 ILE A 33 2.213 -2.343 -5.277 1.00 0.00 C ATOM 505 CD1 ILE A 33 4.126 -2.316 -7.582 1.00 0.00 C ATOM 0 H ILE A 33 2.089 -1.764 -8.359 1.00 0.00 H new ATOM 0 HA ILE A 33 1.433 0.332 -6.306 1.00 0.00 H new ATOM 0 HB ILE A 33 3.139 -0.440 -4.866 1.00 0.00 H new ATOM 0 HG12 ILE A 33 4.938 -0.625 -6.511 1.00 0.00 H new ATOM 0 HG13 ILE A 33 4.886 -2.103 -5.571 1.00 0.00 H new ATOM 0 HG21 ILE A 33 2.797 -2.880 -4.530 1.00 0.00 H new ATOM 0 HG22 ILE A 33 1.256 -2.049 -4.846 1.00 0.00 H new ATOM 0 HG23 ILE A 33 2.040 -2.990 -6.137 1.00 0.00 H new ATOM 0 HD11 ILE A 33 5.093 -2.609 -7.990 1.00 0.00 H new ATOM 0 HD12 ILE A 33 3.541 -3.208 -7.358 1.00 0.00 H new ATOM 0 HD13 ILE A 33 3.594 -1.707 -8.313 1.00 0.00 H new ATOM 517 N GLN A 34 3.891 1.349 -7.026 1.00 0.00 N ATOM 518 CA GLN A 34 4.798 2.236 -7.810 1.00 0.00 C ATOM 519 C GLN A 34 6.224 2.156 -7.259 1.00 0.00 C ATOM 520 O GLN A 34 6.439 1.829 -6.109 1.00 0.00 O ATOM 521 CB GLN A 34 4.230 3.644 -7.625 1.00 0.00 C ATOM 522 CG GLN A 34 2.720 3.620 -7.868 1.00 0.00 C ATOM 523 CD GLN A 34 2.206 5.053 -8.029 1.00 0.00 C ATOM 524 OE1 GLN A 34 1.513 5.359 -8.979 1.00 0.00 O ATOM 525 NE2 GLN A 34 2.518 5.950 -7.133 1.00 0.00 N ATOM 0 H GLN A 34 3.980 1.423 -6.013 1.00 0.00 H new ATOM 0 HA GLN A 34 4.848 1.950 -8.861 1.00 0.00 H new ATOM 0 HB2 GLN A 34 4.442 4.004 -6.618 1.00 0.00 H new ATOM 0 HB3 GLN A 34 4.710 4.335 -8.318 1.00 0.00 H new ATOM 0 HG2 GLN A 34 2.494 3.039 -8.762 1.00 0.00 H new ATOM 0 HG3 GLN A 34 2.214 3.132 -7.034 1.00 0.00 H new ATOM 0 HE21 GLN A 34 3.100 5.693 -6.335 1.00 0.00 H new ATOM 0 HE22 GLN A 34 2.180 6.907 -7.231 1.00 0.00 H new ATOM 534 N GLY A 35 7.201 2.453 -8.072 1.00 0.00 N ATOM 535 CA GLY A 35 8.611 2.394 -7.596 1.00 0.00 C ATOM 536 C GLY A 35 9.209 3.806 -7.591 1.00 0.00 C ATOM 537 O GLY A 35 8.589 4.739 -8.063 1.00 0.00 O ATOM 0 H GLY A 35 7.083 2.734 -9.045 1.00 0.00 H new ATOM 0 HA2 GLY A 35 8.650 1.968 -6.594 1.00 0.00 H new ATOM 0 HA3 GLY A 35 9.197 1.742 -8.243 1.00 0.00 H new ATOM 541 N PRO A 36 10.398 3.920 -7.053 1.00 0.00 N ATOM 542 CA PRO A 36 11.084 5.232 -6.985 1.00 0.00 C ATOM 543 C PRO A 36 11.343 5.782 -8.391 1.00 0.00 C ATOM 544 O PRO A 36 11.536 6.967 -8.578 1.00 0.00 O ATOM 545 CB PRO A 36 12.400 4.888 -6.282 1.00 0.00 C ATOM 546 CG PRO A 36 12.418 3.378 -5.972 1.00 0.00 C ATOM 547 CD PRO A 36 11.116 2.751 -6.487 1.00 0.00 C ATOM 0 HA PRO A 36 10.506 5.999 -6.469 1.00 0.00 H new ATOM 0 HB2 PRO A 36 13.247 5.153 -6.915 1.00 0.00 H new ATOM 0 HB3 PRO A 36 12.498 5.463 -5.361 1.00 0.00 H new ATOM 0 HG2 PRO A 36 13.278 2.906 -6.447 1.00 0.00 H new ATOM 0 HG3 PRO A 36 12.517 3.214 -4.899 1.00 0.00 H new ATOM 0 HD2 PRO A 36 11.304 1.987 -7.241 1.00 0.00 H new ATOM 0 HD3 PRO A 36 10.550 2.276 -5.686 1.00 0.00 H new ATOM 555 N ASP A 37 11.351 4.931 -9.381 1.00 0.00 N ATOM 556 CA ASP A 37 11.602 5.409 -10.771 1.00 0.00 C ATOM 557 C ASP A 37 10.407 6.210 -11.281 1.00 0.00 C ATOM 558 O ASP A 37 10.558 7.233 -11.920 1.00 0.00 O ATOM 559 CB ASP A 37 11.794 4.140 -11.601 1.00 0.00 C ATOM 560 CG ASP A 37 13.065 3.421 -11.149 1.00 0.00 C ATOM 561 OD1 ASP A 37 13.855 4.037 -10.452 1.00 0.00 O ATOM 562 OD2 ASP A 37 13.229 2.266 -11.506 1.00 0.00 O ATOM 0 H ASP A 37 11.195 3.927 -9.288 1.00 0.00 H new ATOM 0 HA ASP A 37 12.469 6.067 -10.829 1.00 0.00 H new ATOM 0 HB2 ASP A 37 10.932 3.483 -11.485 1.00 0.00 H new ATOM 0 HB3 ASP A 37 11.863 4.392 -12.659 1.00 0.00 H new ATOM 567 N GLY A 38 9.222 5.756 -11.003 1.00 0.00 N ATOM 568 CA GLY A 38 8.018 6.493 -11.469 1.00 0.00 C ATOM 569 C GLY A 38 7.109 5.545 -12.252 1.00 0.00 C ATOM 570 O GLY A 38 5.924 5.776 -12.389 1.00 0.00 O ATOM 0 H GLY A 38 9.033 4.905 -10.473 1.00 0.00 H new ATOM 0 HA2 GLY A 38 7.480 6.908 -10.616 1.00 0.00 H new ATOM 0 HA3 GLY A 38 8.314 7.332 -12.098 1.00 0.00 H new ATOM 574 N LYS A 39 7.655 4.479 -12.770 1.00 0.00 N ATOM 575 CA LYS A 39 6.824 3.515 -13.548 1.00 0.00 C ATOM 576 C LYS A 39 6.049 2.597 -12.598 1.00 0.00 C ATOM 577 O LYS A 39 6.431 2.400 -11.462 1.00 0.00 O ATOM 578 CB LYS A 39 7.825 2.708 -14.375 1.00 0.00 C ATOM 579 CG LYS A 39 7.078 1.661 -15.202 1.00 0.00 C ATOM 580 CD LYS A 39 8.085 0.698 -15.834 1.00 0.00 C ATOM 581 CE LYS A 39 7.379 -0.162 -16.885 1.00 0.00 C ATOM 582 NZ LYS A 39 7.810 0.406 -18.194 1.00 0.00 N ATOM 0 H LYS A 39 8.642 4.233 -12.688 1.00 0.00 H new ATOM 0 HA LYS A 39 6.087 4.017 -14.175 1.00 0.00 H new ATOM 0 HB2 LYS A 39 8.388 3.371 -15.032 1.00 0.00 H new ATOM 0 HB3 LYS A 39 8.546 2.221 -13.719 1.00 0.00 H new ATOM 0 HG2 LYS A 39 6.381 1.112 -14.569 1.00 0.00 H new ATOM 0 HG3 LYS A 39 6.488 2.148 -15.978 1.00 0.00 H new ATOM 0 HD2 LYS A 39 8.900 1.257 -16.294 1.00 0.00 H new ATOM 0 HD3 LYS A 39 8.528 0.063 -15.067 1.00 0.00 H new ATOM 0 HE2 LYS A 39 7.665 -1.210 -16.795 1.00 0.00 H new ATOM 0 HE3 LYS A 39 6.296 -0.116 -16.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 7.368 -0.130 -18.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 7.519 1.403 -18.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 8.845 0.342 -18.276 1.00 0.00 H new ATOM 596 N VAL A 40 4.965 2.036 -13.057 1.00 0.00 N ATOM 597 CA VAL A 40 4.167 1.130 -12.181 1.00 0.00 C ATOM 598 C VAL A 40 4.473 -0.332 -12.517 1.00 0.00 C ATOM 599 O VAL A 40 4.748 -0.674 -13.649 1.00 0.00 O ATOM 600 CB VAL A 40 2.707 1.460 -12.496 1.00 0.00 C ATOM 601 CG1 VAL A 40 1.791 0.484 -11.757 1.00 0.00 C ATOM 602 CG2 VAL A 40 2.400 2.889 -12.047 1.00 0.00 C ATOM 0 H VAL A 40 4.597 2.165 -13.999 1.00 0.00 H new ATOM 0 HA VAL A 40 4.396 1.268 -11.124 1.00 0.00 H new ATOM 0 HB VAL A 40 2.538 1.372 -13.569 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.751 0.720 -11.982 1.00 0.00 H new ATOM 0 HG12 VAL A 40 2.010 -0.534 -12.078 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.958 0.570 -10.683 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.360 3.125 -12.271 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.569 2.977 -10.974 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.052 3.584 -12.576 1.00 0.00 H new ATOM 612 N HIS A 41 4.429 -1.196 -11.541 1.00 0.00 N ATOM 613 CA HIS A 41 4.720 -2.634 -11.805 1.00 0.00 C ATOM 614 C HIS A 41 3.479 -3.487 -11.527 1.00 0.00 C ATOM 615 O HIS A 41 2.487 -3.008 -11.013 1.00 0.00 O ATOM 616 CB HIS A 41 5.846 -2.995 -10.837 1.00 0.00 C ATOM 617 CG HIS A 41 7.010 -2.067 -11.052 1.00 0.00 C ATOM 618 ND1 HIS A 41 7.984 -2.310 -12.008 1.00 0.00 N ATOM 619 CD2 HIS A 41 7.371 -0.890 -10.442 1.00 0.00 C ATOM 620 CE1 HIS A 41 8.875 -1.304 -11.946 1.00 0.00 C ATOM 621 NE2 HIS A 41 8.548 -0.411 -11.008 1.00 0.00 N ATOM 0 H HIS A 41 4.204 -0.969 -10.572 1.00 0.00 H new ATOM 0 HA HIS A 41 5.001 -2.813 -12.843 1.00 0.00 H new ATOM 0 HB2 HIS A 41 5.493 -2.921 -9.808 1.00 0.00 H new ATOM 0 HB3 HIS A 41 6.157 -4.028 -10.993 1.00 0.00 H new ATOM 0 HD2 HIS A 41 6.824 -0.410 -9.644 1.00 0.00 H new ATOM 0 HE1 HIS A 41 9.748 -1.228 -12.577 1.00 0.00 H new ATOM 0 HE2 HIS A 41 9.053 0.440 -10.760 1.00 0.00 H new ATOM 629 N GLY A 42 3.526 -4.747 -11.862 1.00 0.00 N ATOM 630 CA GLY A 42 2.350 -5.629 -11.618 1.00 0.00 C ATOM 631 C GLY A 42 2.073 -5.708 -10.116 1.00 0.00 C ATOM 632 O GLY A 42 0.964 -5.498 -9.667 1.00 0.00 O ATOM 0 H GLY A 42 4.329 -5.204 -12.295 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.476 -5.239 -12.140 1.00 0.00 H new ATOM 0 HA3 GLY A 42 2.541 -6.626 -12.016 1.00 0.00 H new ATOM 636 N ASN A 43 3.073 -6.010 -9.333 1.00 0.00 N ATOM 637 CA ASN A 43 2.863 -6.101 -7.859 1.00 0.00 C ATOM 638 C ASN A 43 4.095 -5.589 -7.112 1.00 0.00 C ATOM 639 O ASN A 43 4.967 -4.962 -7.682 1.00 0.00 O ATOM 640 CB ASN A 43 2.644 -7.587 -7.577 1.00 0.00 C ATOM 641 CG ASN A 43 3.791 -8.398 -8.184 1.00 0.00 C ATOM 642 OD1 ASN A 43 4.580 -7.879 -8.948 1.00 0.00 O ATOM 643 ND2 ASN A 43 3.916 -9.659 -7.873 1.00 0.00 N ATOM 0 H ASN A 43 4.025 -6.197 -9.649 1.00 0.00 H new ATOM 0 HA ASN A 43 2.019 -5.495 -7.528 1.00 0.00 H new ATOM 0 HB2 ASN A 43 2.592 -7.760 -6.502 1.00 0.00 H new ATOM 0 HB3 ASN A 43 1.693 -7.911 -7.999 1.00 0.00 H new ATOM 0 HD21 ASN A 43 4.677 -10.210 -8.271 1.00 0.00 H new ATOM 0 HD22 ASN A 43 3.253 -10.094 -7.231 1.00 0.00 H new ATOM 650 N THR A 44 4.169 -5.849 -5.838 1.00 0.00 N ATOM 651 CA THR A 44 5.338 -5.378 -5.041 1.00 0.00 C ATOM 652 C THR A 44 6.621 -6.062 -5.515 1.00 0.00 C ATOM 653 O THR A 44 7.630 -5.422 -5.732 1.00 0.00 O ATOM 654 CB THR A 44 5.019 -5.774 -3.598 1.00 0.00 C ATOM 655 OG1 THR A 44 3.869 -5.066 -3.159 1.00 0.00 O ATOM 656 CG2 THR A 44 6.206 -5.429 -2.699 1.00 0.00 C ATOM 0 H THR A 44 3.468 -6.370 -5.311 1.00 0.00 H new ATOM 0 HA THR A 44 5.499 -4.305 -5.145 1.00 0.00 H new ATOM 0 HB THR A 44 4.828 -6.846 -3.548 1.00 0.00 H new ATOM 0 HG1 THR A 44 3.063 -5.518 -3.484 1.00 0.00 H new ATOM 0 HG21 THR A 44 5.978 -5.711 -1.671 1.00 0.00 H new ATOM 0 HG22 THR A 44 7.089 -5.972 -3.037 1.00 0.00 H new ATOM 0 HG23 THR A 44 6.399 -4.357 -2.747 1.00 0.00 H new ATOM 664 N CYS A 45 6.593 -7.354 -5.673 1.00 0.00 N ATOM 665 CA CYS A 45 7.821 -8.066 -6.129 1.00 0.00 C ATOM 666 C CYS A 45 8.344 -7.425 -7.417 1.00 0.00 C ATOM 667 O CYS A 45 9.504 -7.085 -7.519 1.00 0.00 O ATOM 668 CB CYS A 45 7.392 -9.519 -6.353 1.00 0.00 C ATOM 669 SG CYS A 45 8.537 -10.349 -7.490 1.00 0.00 S ATOM 0 H CYS A 45 5.779 -7.947 -5.508 1.00 0.00 H new ATOM 0 HA CYS A 45 8.632 -8.010 -5.403 1.00 0.00 H new ATOM 0 HB2 CYS A 45 7.368 -10.049 -5.401 1.00 0.00 H new ATOM 0 HB3 CYS A 45 6.381 -9.548 -6.760 1.00 0.00 H new ATOM 674 N SER A 46 7.504 -7.246 -8.401 1.00 0.00 N ATOM 675 CA SER A 46 7.983 -6.611 -9.661 1.00 0.00 C ATOM 676 C SER A 46 8.825 -5.387 -9.309 1.00 0.00 C ATOM 677 O SER A 46 9.893 -5.178 -9.848 1.00 0.00 O ATOM 678 CB SER A 46 6.718 -6.204 -10.418 1.00 0.00 C ATOM 679 OG SER A 46 5.982 -7.366 -10.770 1.00 0.00 O ATOM 0 H SER A 46 6.518 -7.509 -8.388 1.00 0.00 H new ATOM 0 HA SER A 46 8.602 -7.276 -10.263 1.00 0.00 H new ATOM 0 HB2 SER A 46 6.107 -5.547 -9.799 1.00 0.00 H new ATOM 0 HB3 SER A 46 6.982 -5.643 -11.314 1.00 0.00 H new ATOM 0 HG SER A 46 5.410 -7.630 -10.020 1.00 0.00 H new ATOM 685 N MET A 47 8.366 -4.592 -8.380 1.00 0.00 N ATOM 686 CA MET A 47 9.162 -3.404 -7.968 1.00 0.00 C ATOM 687 C MET A 47 10.414 -3.891 -7.241 1.00 0.00 C ATOM 688 O MET A 47 11.461 -3.276 -7.286 1.00 0.00 O ATOM 689 CB MET A 47 8.253 -2.621 -7.019 1.00 0.00 C ATOM 690 CG MET A 47 8.459 -1.122 -7.242 1.00 0.00 C ATOM 691 SD MET A 47 10.108 -0.646 -6.669 1.00 0.00 S ATOM 692 CE MET A 47 9.982 -1.351 -5.006 1.00 0.00 C ATOM 0 H MET A 47 7.479 -4.714 -7.892 1.00 0.00 H new ATOM 0 HA MET A 47 9.479 -2.784 -8.807 1.00 0.00 H new ATOM 0 HB2 MET A 47 7.210 -2.886 -7.194 1.00 0.00 H new ATOM 0 HB3 MET A 47 8.478 -2.881 -5.985 1.00 0.00 H new ATOM 0 HG2 MET A 47 8.347 -0.882 -8.299 1.00 0.00 H new ATOM 0 HG3 MET A 47 7.698 -0.556 -6.704 1.00 0.00 H new ATOM 0 HE1 MET A 47 10.579 -0.758 -4.313 1.00 0.00 H new ATOM 0 HE2 MET A 47 8.940 -1.344 -4.686 1.00 0.00 H new ATOM 0 HE3 MET A 47 10.351 -2.376 -5.017 1.00 0.00 H new ATOM 702 N CYS A 48 10.305 -5.014 -6.586 1.00 0.00 N ATOM 703 CA CYS A 48 11.471 -5.590 -5.861 1.00 0.00 C ATOM 704 C CYS A 48 12.458 -6.177 -6.874 1.00 0.00 C ATOM 705 O CYS A 48 13.658 -6.042 -6.737 1.00 0.00 O ATOM 706 CB CYS A 48 10.873 -6.689 -4.977 1.00 0.00 C ATOM 707 SG CYS A 48 9.932 -5.941 -3.621 1.00 0.00 S ATOM 0 H CYS A 48 9.448 -5.563 -6.522 1.00 0.00 H new ATOM 0 HA CYS A 48 12.017 -4.853 -5.271 1.00 0.00 H new ATOM 0 HB2 CYS A 48 10.224 -7.333 -5.570 1.00 0.00 H new ATOM 0 HB3 CYS A 48 11.667 -7.319 -4.577 1.00 0.00 H new ATOM 712 N GLU A 49 11.959 -6.812 -7.902 1.00 0.00 N ATOM 713 CA GLU A 49 12.868 -7.386 -8.933 1.00 0.00 C ATOM 714 C GLU A 49 13.774 -6.279 -9.465 1.00 0.00 C ATOM 715 O GLU A 49 14.960 -6.463 -9.651 1.00 0.00 O ATOM 716 CB GLU A 49 11.943 -7.908 -10.039 1.00 0.00 C ATOM 717 CG GLU A 49 11.004 -8.976 -9.473 1.00 0.00 C ATOM 718 CD GLU A 49 10.088 -9.488 -10.586 1.00 0.00 C ATOM 719 OE1 GLU A 49 10.082 -8.886 -11.647 1.00 0.00 O ATOM 720 OE2 GLU A 49 9.408 -10.475 -10.358 1.00 0.00 O ATOM 0 H GLU A 49 10.964 -6.957 -8.071 1.00 0.00 H new ATOM 0 HA GLU A 49 13.506 -8.179 -8.544 1.00 0.00 H new ATOM 0 HB2 GLU A 49 11.362 -7.086 -10.457 1.00 0.00 H new ATOM 0 HB3 GLU A 49 12.535 -8.327 -10.853 1.00 0.00 H new ATOM 0 HG2 GLU A 49 11.582 -9.800 -9.055 1.00 0.00 H new ATOM 0 HG3 GLU A 49 10.409 -8.559 -8.660 1.00 0.00 H new ATOM 727 N VAL A 50 13.223 -5.119 -9.688 1.00 0.00 N ATOM 728 CA VAL A 50 14.051 -3.983 -10.180 1.00 0.00 C ATOM 729 C VAL A 50 15.062 -3.612 -9.105 1.00 0.00 C ATOM 730 O VAL A 50 16.254 -3.581 -9.331 1.00 0.00 O ATOM 731 CB VAL A 50 13.065 -2.838 -10.390 1.00 0.00 C ATOM 732 CG1 VAL A 50 13.815 -1.605 -10.895 1.00 0.00 C ATOM 733 CG2 VAL A 50 12.013 -3.261 -11.412 1.00 0.00 C ATOM 0 H VAL A 50 12.234 -4.908 -9.551 1.00 0.00 H new ATOM 0 HA VAL A 50 14.597 -4.218 -11.093 1.00 0.00 H new ATOM 0 HB VAL A 50 12.575 -2.596 -9.447 1.00 0.00 H new ATOM 0 HG11 VAL A 50 13.111 -0.787 -11.045 1.00 0.00 H new ATOM 0 HG12 VAL A 50 14.564 -1.309 -10.161 1.00 0.00 H new ATOM 0 HG13 VAL A 50 14.306 -1.839 -11.840 1.00 0.00 H new ATOM 0 HG21 VAL A 50 11.306 -2.446 -11.565 1.00 0.00 H new ATOM 0 HG22 VAL A 50 12.500 -3.502 -12.357 1.00 0.00 H new ATOM 0 HG23 VAL A 50 11.481 -4.138 -11.044 1.00 0.00 H new ATOM 743 N PHE A 51 14.579 -3.347 -7.927 1.00 0.00 N ATOM 744 CA PHE A 51 15.491 -2.993 -6.810 1.00 0.00 C ATOM 745 C PHE A 51 16.515 -4.110 -6.626 1.00 0.00 C ATOM 746 O PHE A 51 17.681 -3.871 -6.382 1.00 0.00 O ATOM 747 CB PHE A 51 14.584 -2.879 -5.587 1.00 0.00 C ATOM 748 CG PHE A 51 15.426 -2.820 -4.340 1.00 0.00 C ATOM 749 CD1 PHE A 51 16.336 -1.772 -4.162 1.00 0.00 C ATOM 750 CD2 PHE A 51 15.294 -3.809 -3.360 1.00 0.00 C ATOM 751 CE1 PHE A 51 17.116 -1.713 -3.001 1.00 0.00 C ATOM 752 CE2 PHE A 51 16.074 -3.752 -2.199 1.00 0.00 C ATOM 753 CZ PHE A 51 16.985 -2.703 -2.019 1.00 0.00 C ATOM 0 H PHE A 51 13.587 -3.360 -7.689 1.00 0.00 H new ATOM 0 HA PHE A 51 16.045 -2.070 -6.984 1.00 0.00 H new ATOM 0 HB2 PHE A 51 13.964 -1.985 -5.663 1.00 0.00 H new ATOM 0 HB3 PHE A 51 13.908 -3.733 -5.542 1.00 0.00 H new ATOM 0 HD1 PHE A 51 16.437 -1.009 -4.920 1.00 0.00 H new ATOM 0 HD2 PHE A 51 14.590 -4.617 -3.499 1.00 0.00 H new ATOM 0 HE1 PHE A 51 17.818 -0.904 -2.863 1.00 0.00 H new ATOM 0 HE2 PHE A 51 15.974 -4.516 -1.443 1.00 0.00 H new ATOM 0 HZ PHE A 51 17.586 -2.658 -1.123 1.00 0.00 H new ATOM 763 N PHE A 52 16.083 -5.333 -6.756 1.00 0.00 N ATOM 764 CA PHE A 52 17.020 -6.480 -6.608 1.00 0.00 C ATOM 765 C PHE A 52 18.073 -6.430 -7.716 1.00 0.00 C ATOM 766 O PHE A 52 19.220 -6.772 -7.515 1.00 0.00 O ATOM 767 CB PHE A 52 16.140 -7.720 -6.754 1.00 0.00 C ATOM 768 CG PHE A 52 15.611 -8.118 -5.399 1.00 0.00 C ATOM 769 CD1 PHE A 52 16.482 -8.220 -4.309 1.00 0.00 C ATOM 770 CD2 PHE A 52 14.247 -8.382 -5.233 1.00 0.00 C ATOM 771 CE1 PHE A 52 15.989 -8.587 -3.050 1.00 0.00 C ATOM 772 CE2 PHE A 52 13.754 -8.748 -3.977 1.00 0.00 C ATOM 773 CZ PHE A 52 14.623 -8.851 -2.885 1.00 0.00 C ATOM 0 H PHE A 52 15.117 -5.588 -6.959 1.00 0.00 H new ATOM 0 HA PHE A 52 17.554 -6.471 -5.658 1.00 0.00 H new ATOM 0 HB2 PHE A 52 15.313 -7.515 -7.434 1.00 0.00 H new ATOM 0 HB3 PHE A 52 16.714 -8.539 -7.188 1.00 0.00 H new ATOM 0 HD1 PHE A 52 17.535 -8.016 -4.438 1.00 0.00 H new ATOM 0 HD2 PHE A 52 13.575 -8.303 -6.075 1.00 0.00 H new ATOM 0 HE1 PHE A 52 16.661 -8.666 -2.208 1.00 0.00 H new ATOM 0 HE2 PHE A 52 12.701 -8.952 -3.849 1.00 0.00 H new ATOM 0 HZ PHE A 52 14.241 -9.134 -1.915 1.00 0.00 H new ATOM 783 N GLN A 53 17.688 -5.996 -8.885 1.00 0.00 N ATOM 784 CA GLN A 53 18.665 -5.912 -10.007 1.00 0.00 C ATOM 785 C GLN A 53 19.760 -4.900 -9.667 1.00 0.00 C ATOM 786 O GLN A 53 20.937 -5.164 -9.822 1.00 0.00 O ATOM 787 CB GLN A 53 17.845 -5.431 -11.202 1.00 0.00 C ATOM 788 CG GLN A 53 18.589 -5.758 -12.498 1.00 0.00 C ATOM 789 CD GLN A 53 18.004 -4.930 -13.644 1.00 0.00 C ATOM 790 OE1 GLN A 53 18.671 -4.678 -14.628 1.00 0.00 O ATOM 791 NE2 GLN A 53 16.778 -4.495 -13.557 1.00 0.00 N ATOM 0 H GLN A 53 16.740 -5.696 -9.111 1.00 0.00 H new ATOM 0 HA GLN A 53 19.158 -6.864 -10.206 1.00 0.00 H new ATOM 0 HB2 GLN A 53 16.866 -5.911 -11.201 1.00 0.00 H new ATOM 0 HB3 GLN A 53 17.674 -4.357 -11.130 1.00 0.00 H new ATOM 0 HG2 GLN A 53 19.651 -5.542 -12.385 1.00 0.00 H new ATOM 0 HG3 GLN A 53 18.502 -6.821 -12.722 1.00 0.00 H new ATOM 0 HE21 GLN A 53 16.219 -4.707 -12.731 1.00 0.00 H new ATOM 0 HE22 GLN A 53 16.378 -3.943 -14.315 1.00 0.00 H new ATOM 800 N ALA A 54 19.379 -3.741 -9.204 1.00 0.00 N ATOM 801 CA ALA A 54 20.391 -2.705 -8.851 1.00 0.00 C ATOM 802 C ALA A 54 21.316 -3.220 -7.744 1.00 0.00 C ATOM 803 O ALA A 54 22.503 -2.960 -7.745 1.00 0.00 O ATOM 804 CB ALA A 54 19.577 -1.511 -8.355 1.00 0.00 C ATOM 0 H ALA A 54 18.408 -3.466 -9.055 1.00 0.00 H new ATOM 0 HA ALA A 54 21.026 -2.444 -9.698 1.00 0.00 H new ATOM 0 HB1 ALA A 54 20.252 -0.702 -8.074 1.00 0.00 H new ATOM 0 HB2 ALA A 54 18.912 -1.170 -9.148 1.00 0.00 H new ATOM 0 HB3 ALA A 54 18.986 -1.808 -7.488 1.00 0.00 H new ATOM 810 N GLU A 55 20.783 -3.945 -6.798 1.00 0.00 N ATOM 811 CA GLU A 55 21.636 -4.470 -5.694 1.00 0.00 C ATOM 812 C GLU A 55 22.813 -5.265 -6.266 1.00 0.00 C ATOM 813 O GLU A 55 23.832 -5.429 -5.626 1.00 0.00 O ATOM 814 CB GLU A 55 20.715 -5.380 -4.881 1.00 0.00 C ATOM 815 CG GLU A 55 19.719 -4.526 -4.095 1.00 0.00 C ATOM 816 CD GLU A 55 20.452 -3.793 -2.970 1.00 0.00 C ATOM 817 OE1 GLU A 55 21.587 -4.149 -2.697 1.00 0.00 O ATOM 818 OE2 GLU A 55 19.867 -2.885 -2.400 1.00 0.00 O ATOM 0 H GLU A 55 19.796 -4.196 -6.742 1.00 0.00 H new ATOM 0 HA GLU A 55 22.061 -3.672 -5.085 1.00 0.00 H new ATOM 0 HB2 GLU A 55 20.182 -6.062 -5.544 1.00 0.00 H new ATOM 0 HB3 GLU A 55 21.303 -5.994 -4.198 1.00 0.00 H new ATOM 0 HG2 GLU A 55 19.237 -3.808 -4.758 1.00 0.00 H new ATOM 0 HG3 GLU A 55 18.931 -5.155 -3.681 1.00 0.00 H new ATOM 825 N GLU A 56 22.679 -5.759 -7.466 1.00 0.00 N ATOM 826 CA GLU A 56 23.793 -6.542 -8.076 1.00 0.00 C ATOM 827 C GLU A 56 25.042 -5.667 -8.216 1.00 0.00 C ATOM 828 O GLU A 56 26.156 -6.139 -8.104 1.00 0.00 O ATOM 829 CB GLU A 56 23.276 -6.961 -9.452 1.00 0.00 C ATOM 830 CG GLU A 56 24.314 -7.856 -10.134 1.00 0.00 C ATOM 831 CD GLU A 56 23.822 -8.236 -11.532 1.00 0.00 C ATOM 832 OE1 GLU A 56 22.742 -7.802 -11.897 1.00 0.00 O ATOM 833 OE2 GLU A 56 24.533 -8.955 -12.214 1.00 0.00 O ATOM 0 H GLU A 56 21.849 -5.655 -8.050 1.00 0.00 H new ATOM 0 HA GLU A 56 24.074 -7.401 -7.467 1.00 0.00 H new ATOM 0 HB2 GLU A 56 22.331 -7.494 -9.351 1.00 0.00 H new ATOM 0 HB3 GLU A 56 23.081 -6.080 -10.063 1.00 0.00 H new ATOM 0 HG2 GLU A 56 25.269 -7.336 -10.202 1.00 0.00 H new ATOM 0 HG3 GLU A 56 24.482 -8.754 -9.540 1.00 0.00 H new