USER MOD reduce.3.24.130724 H: found=0, std=0, add=366, rem=0, adj=9 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= -6.85! C(o=-6.5!,f=-13!) USER MOD Set 1.2: A 46 SER OG : rot 87:sc= 0.323 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 TYR OH : rot 120:sc= -1.73! USER MOD Single : A 13 ASN : amide:sc= -1.58! C(o=-1.6!,f=-4.6!) USER MOD Single : A 15 TYR OH : rot 130:sc= -4.06! USER MOD Single : A 17 LYS NZ :NH3+ 170:sc= 0.18 (180deg=0.116) USER MOD Single : A 21 ASN : amide:sc=-0.00489 X(o=-0.0049,f=-0.0049) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.358 USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 34 GLN : amide:sc=-0.00933 K(o=-0.0093,f=-1.3) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 HIS : no HE2:sc= -0.672 K(o=-0.67,f=-3.8!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 MET CE :methyl -118:sc=-0.00121 (180deg=-0.162) USER MOD Single : A 53 GLN : amide:sc= -0.599 K(o=-0.6,f=0) USER MOD ----------------------------------------------------------------- ATOM 82 N SER A 7 12.451 2.001 3.385 1.00 0.00 N ATOM 83 CA SER A 7 13.681 1.641 2.624 1.00 0.00 C ATOM 84 C SER A 7 13.426 0.402 1.760 1.00 0.00 C ATOM 85 O SER A 7 12.912 -0.595 2.225 1.00 0.00 O ATOM 86 CB SER A 7 14.734 1.343 3.691 1.00 0.00 C ATOM 87 OG SER A 7 15.847 0.696 3.091 1.00 0.00 O ATOM 0 HA SER A 7 13.997 2.437 1.950 1.00 0.00 H new ATOM 0 HB2 SER A 7 15.053 2.268 4.171 1.00 0.00 H new ATOM 0 HB3 SER A 7 14.309 0.710 4.470 1.00 0.00 H new ATOM 0 HG SER A 7 16.523 0.506 3.775 1.00 0.00 H new ATOM 93 N TYR A 8 13.782 0.458 0.505 1.00 0.00 N ATOM 94 CA TYR A 8 13.558 -0.716 -0.385 1.00 0.00 C ATOM 95 C TYR A 8 14.289 -1.944 0.164 1.00 0.00 C ATOM 96 O TYR A 8 13.729 -3.018 0.265 1.00 0.00 O ATOM 97 CB TYR A 8 14.142 -0.303 -1.737 1.00 0.00 C ATOM 98 CG TYR A 8 13.342 0.849 -2.299 1.00 0.00 C ATOM 99 CD1 TYR A 8 11.943 0.799 -2.289 1.00 0.00 C ATOM 100 CD2 TYR A 8 13.999 1.967 -2.826 1.00 0.00 C ATOM 101 CE1 TYR A 8 11.201 1.867 -2.808 1.00 0.00 C ATOM 102 CE2 TYR A 8 13.257 3.035 -3.344 1.00 0.00 C ATOM 103 CZ TYR A 8 11.858 2.985 -3.335 1.00 0.00 C ATOM 104 OH TYR A 8 11.128 4.039 -3.846 1.00 0.00 O ATOM 0 H TYR A 8 14.218 1.265 0.059 1.00 0.00 H new ATOM 0 HA TYR A 8 12.504 -0.983 -0.460 1.00 0.00 H new ATOM 0 HB2 TYR A 8 15.186 -0.013 -1.621 1.00 0.00 H new ATOM 0 HB3 TYR A 8 14.121 -1.146 -2.428 1.00 0.00 H new ATOM 0 HD1 TYR A 8 11.436 -0.063 -1.881 1.00 0.00 H new ATOM 0 HD2 TYR A 8 15.078 2.006 -2.833 1.00 0.00 H new ATOM 0 HE1 TYR A 8 10.122 1.828 -2.802 1.00 0.00 H new ATOM 0 HE2 TYR A 8 13.764 3.898 -3.751 1.00 0.00 H new ATOM 0 HH TYR A 8 11.339 4.855 -3.346 1.00 0.00 H new ATOM 114 N ALA A 9 15.535 -1.794 0.523 1.00 0.00 N ATOM 115 CA ALA A 9 16.297 -2.955 1.067 1.00 0.00 C ATOM 116 C ALA A 9 15.556 -3.559 2.262 1.00 0.00 C ATOM 117 O ALA A 9 15.692 -4.728 2.563 1.00 0.00 O ATOM 118 CB ALA A 9 17.643 -2.377 1.504 1.00 0.00 C ATOM 0 H ALA A 9 16.058 -0.920 0.464 1.00 0.00 H new ATOM 0 HA ALA A 9 16.417 -3.752 0.333 1.00 0.00 H new ATOM 0 HB1 ALA A 9 18.264 -3.172 1.917 1.00 0.00 H new ATOM 0 HB2 ALA A 9 18.145 -1.934 0.644 1.00 0.00 H new ATOM 0 HB3 ALA A 9 17.481 -1.612 2.263 1.00 0.00 H new ATOM 124 N GLU A 10 14.768 -2.772 2.942 1.00 0.00 N ATOM 125 CA GLU A 10 14.013 -3.303 4.114 1.00 0.00 C ATOM 126 C GLU A 10 12.601 -3.700 3.682 1.00 0.00 C ATOM 127 O GLU A 10 12.039 -4.663 4.164 1.00 0.00 O ATOM 128 CB GLU A 10 13.965 -2.145 5.113 1.00 0.00 C ATOM 129 CG GLU A 10 13.494 -2.663 6.473 1.00 0.00 C ATOM 130 CD GLU A 10 13.279 -1.484 7.422 1.00 0.00 C ATOM 131 OE1 GLU A 10 13.677 -0.385 7.070 1.00 0.00 O ATOM 132 OE2 GLU A 10 12.721 -1.698 8.486 1.00 0.00 O ATOM 0 H GLU A 10 14.614 -1.785 2.737 1.00 0.00 H new ATOM 0 HA GLU A 10 14.479 -4.189 4.545 1.00 0.00 H new ATOM 0 HB2 GLU A 10 14.951 -1.691 5.207 1.00 0.00 H new ATOM 0 HB3 GLU A 10 13.289 -1.369 4.754 1.00 0.00 H new ATOM 0 HG2 GLU A 10 12.567 -3.225 6.359 1.00 0.00 H new ATOM 0 HG3 GLU A 10 14.233 -3.348 6.889 1.00 0.00 H new ATOM 139 N LEU A 11 12.027 -2.965 2.770 1.00 0.00 N ATOM 140 CA LEU A 11 10.656 -3.296 2.293 1.00 0.00 C ATOM 141 C LEU A 11 10.702 -4.542 1.412 1.00 0.00 C ATOM 142 O LEU A 11 10.165 -5.578 1.750 1.00 0.00 O ATOM 143 CB LEU A 11 10.215 -2.078 1.481 1.00 0.00 C ATOM 144 CG LEU A 11 8.694 -2.096 1.318 1.00 0.00 C ATOM 145 CD1 LEU A 11 8.039 -1.559 2.592 1.00 0.00 C ATOM 146 CD2 LEU A 11 8.299 -1.214 0.131 1.00 0.00 C ATOM 0 H LEU A 11 12.451 -2.146 2.333 1.00 0.00 H new ATOM 0 HA LEU A 11 9.968 -3.507 3.111 1.00 0.00 H new ATOM 0 HB2 LEU A 11 10.527 -1.162 1.982 1.00 0.00 H new ATOM 0 HB3 LEU A 11 10.696 -2.086 0.503 1.00 0.00 H new ATOM 0 HG LEU A 11 8.359 -3.118 1.140 1.00 0.00 H new ATOM 0 HD11 LEU A 11 6.955 -1.571 2.477 1.00 0.00 H new ATOM 0 HD12 LEU A 11 8.321 -2.186 3.438 1.00 0.00 H new ATOM 0 HD13 LEU A 11 8.373 -0.537 2.770 1.00 0.00 H new ATOM 0 HD21 LEU A 11 7.215 -1.226 0.014 1.00 0.00 H new ATOM 0 HD22 LEU A 11 8.633 -0.192 0.310 1.00 0.00 H new ATOM 0 HD23 LEU A 11 8.766 -1.595 -0.777 1.00 0.00 H new ATOM 158 N CYS A 12 11.350 -4.450 0.286 1.00 0.00 N ATOM 159 CA CYS A 12 11.447 -5.630 -0.617 1.00 0.00 C ATOM 160 C CYS A 12 12.216 -6.752 0.084 1.00 0.00 C ATOM 161 O CYS A 12 12.232 -7.881 -0.362 1.00 0.00 O ATOM 162 CB CYS A 12 12.212 -5.132 -1.842 1.00 0.00 C ATOM 163 SG CYS A 12 11.035 -4.495 -3.062 1.00 0.00 S ATOM 0 H CYS A 12 11.818 -3.608 -0.049 1.00 0.00 H new ATOM 0 HA CYS A 12 10.471 -6.031 -0.890 1.00 0.00 H new ATOM 0 HB2 CYS A 12 12.914 -4.350 -1.554 1.00 0.00 H new ATOM 0 HB3 CYS A 12 12.798 -5.943 -2.274 1.00 0.00 H new ATOM 168 N ASN A 13 12.847 -6.444 1.183 1.00 0.00 N ATOM 169 CA ASN A 13 13.611 -7.485 1.926 1.00 0.00 C ATOM 170 C ASN A 13 12.805 -8.781 1.984 1.00 0.00 C ATOM 171 O ASN A 13 13.302 -9.850 1.694 1.00 0.00 O ATOM 172 CB ASN A 13 13.794 -6.904 3.327 1.00 0.00 C ATOM 173 CG ASN A 13 14.903 -7.665 4.057 1.00 0.00 C ATOM 174 OD1 ASN A 13 15.208 -8.790 3.717 1.00 0.00 O ATOM 175 ND2 ASN A 13 15.522 -7.093 5.054 1.00 0.00 N ATOM 0 H ASN A 13 12.866 -5.513 1.600 1.00 0.00 H new ATOM 0 HA ASN A 13 14.564 -7.724 1.454 1.00 0.00 H new ATOM 0 HB2 ASN A 13 14.047 -5.846 3.263 1.00 0.00 H new ATOM 0 HB3 ASN A 13 12.861 -6.975 3.886 1.00 0.00 H new ATOM 0 HD21 ASN A 13 16.262 -7.591 5.548 1.00 0.00 H new ATOM 0 HD22 ASN A 13 15.265 -6.148 5.339 1.00 0.00 H new ATOM 182 N GLU A 14 11.560 -8.694 2.357 1.00 0.00 N ATOM 183 CA GLU A 14 10.717 -9.921 2.431 1.00 0.00 C ATOM 184 C GLU A 14 10.871 -10.746 1.149 1.00 0.00 C ATOM 185 O GLU A 14 10.616 -11.934 1.130 1.00 0.00 O ATOM 186 CB GLU A 14 9.283 -9.409 2.570 1.00 0.00 C ATOM 187 CG GLU A 14 8.349 -10.583 2.872 1.00 0.00 C ATOM 188 CD GLU A 14 8.710 -11.184 4.231 1.00 0.00 C ATOM 189 OE1 GLU A 14 9.251 -10.463 5.052 1.00 0.00 O ATOM 190 OE2 GLU A 14 8.440 -12.358 4.428 1.00 0.00 O ATOM 0 H GLU A 14 11.088 -7.827 2.614 1.00 0.00 H new ATOM 0 HA GLU A 14 11.001 -10.568 3.261 1.00 0.00 H new ATOM 0 HB2 GLU A 14 9.225 -8.670 3.369 1.00 0.00 H new ATOM 0 HB3 GLU A 14 8.973 -8.911 1.652 1.00 0.00 H new ATOM 0 HG2 GLU A 14 7.313 -10.246 2.875 1.00 0.00 H new ATOM 0 HG3 GLU A 14 8.435 -11.340 2.093 1.00 0.00 H new ATOM 197 N TYR A 15 11.285 -10.126 0.076 1.00 0.00 N ATOM 198 CA TYR A 15 11.452 -10.876 -1.200 1.00 0.00 C ATOM 199 C TYR A 15 12.878 -11.419 -1.319 1.00 0.00 C ATOM 200 O TYR A 15 13.170 -12.231 -2.175 1.00 0.00 O ATOM 201 CB TYR A 15 11.172 -9.853 -2.299 1.00 0.00 C ATOM 202 CG TYR A 15 9.730 -9.419 -2.219 1.00 0.00 C ATOM 203 CD1 TYR A 15 8.748 -10.118 -2.929 1.00 0.00 C ATOM 204 CD2 TYR A 15 9.376 -8.323 -1.428 1.00 0.00 C ATOM 205 CE1 TYR A 15 7.411 -9.718 -2.847 1.00 0.00 C ATOM 206 CE2 TYR A 15 8.040 -7.921 -1.347 1.00 0.00 C ATOM 207 CZ TYR A 15 7.055 -8.619 -2.056 1.00 0.00 C ATOM 208 OH TYR A 15 5.735 -8.225 -1.975 1.00 0.00 O ATOM 0 H TYR A 15 11.514 -9.133 0.029 1.00 0.00 H new ATOM 0 HA TYR A 15 10.784 -11.735 -1.262 1.00 0.00 H new ATOM 0 HB2 TYR A 15 11.830 -8.991 -2.186 1.00 0.00 H new ATOM 0 HB3 TYR A 15 11.380 -10.287 -3.277 1.00 0.00 H new ATOM 0 HD1 TYR A 15 9.022 -10.965 -3.540 1.00 0.00 H new ATOM 0 HD2 TYR A 15 10.135 -7.786 -0.879 1.00 0.00 H new ATOM 0 HE1 TYR A 15 6.652 -10.257 -3.394 1.00 0.00 H new ATOM 0 HE2 TYR A 15 7.767 -7.072 -0.738 1.00 0.00 H new ATOM 0 HH TYR A 15 5.482 -8.122 -1.034 1.00 0.00 H new ATOM 218 N ARG A 16 13.769 -10.989 -0.468 1.00 0.00 N ATOM 219 CA ARG A 16 15.165 -11.501 -0.545 1.00 0.00 C ATOM 220 C ARG A 16 15.165 -13.019 -0.359 1.00 0.00 C ATOM 221 O ARG A 16 16.028 -13.714 -0.855 1.00 0.00 O ATOM 222 CB ARG A 16 15.916 -10.814 0.592 1.00 0.00 C ATOM 223 CG ARG A 16 16.539 -9.520 0.069 1.00 0.00 C ATOM 224 CD ARG A 16 17.152 -8.744 1.231 1.00 0.00 C ATOM 225 NE ARG A 16 16.882 -7.313 0.917 1.00 0.00 N ATOM 226 CZ ARG A 16 17.773 -6.403 1.204 1.00 0.00 C ATOM 227 NH1 ARG A 16 18.505 -5.887 0.255 1.00 0.00 N ATOM 228 NH2 ARG A 16 17.933 -6.011 2.438 1.00 0.00 N ATOM 0 H ARG A 16 13.592 -10.310 0.272 1.00 0.00 H new ATOM 0 HA ARG A 16 15.632 -11.293 -1.508 1.00 0.00 H new ATOM 0 HB2 ARG A 16 15.236 -10.598 1.416 1.00 0.00 H new ATOM 0 HB3 ARG A 16 16.691 -11.473 0.983 1.00 0.00 H new ATOM 0 HG2 ARG A 16 17.303 -9.746 -0.674 1.00 0.00 H new ATOM 0 HG3 ARG A 16 15.781 -8.914 -0.427 1.00 0.00 H new ATOM 0 HD2 ARG A 16 16.702 -9.032 2.181 1.00 0.00 H new ATOM 0 HD3 ARG A 16 18.222 -8.936 1.314 1.00 0.00 H new ATOM 0 HE ARG A 16 16.001 -7.044 0.478 1.00 0.00 H new ATOM 0 HH11 ARG A 16 18.381 -6.195 -0.709 1.00 0.00 H new ATOM 0 HH12 ARG A 16 19.202 -5.176 0.478 1.00 0.00 H new ATOM 0 HH21 ARG A 16 17.362 -6.416 3.180 1.00 0.00 H new ATOM 0 HH22 ARG A 16 18.629 -5.300 2.661 1.00 0.00 H new ATOM 242 N LYS A 17 14.186 -13.539 0.329 1.00 0.00 N ATOM 243 CA LYS A 17 14.117 -15.013 0.516 1.00 0.00 C ATOM 244 C LYS A 17 13.585 -15.648 -0.770 1.00 0.00 C ATOM 245 O LYS A 17 13.498 -16.853 -0.898 1.00 0.00 O ATOM 246 CB LYS A 17 13.141 -15.229 1.674 1.00 0.00 C ATOM 247 CG LYS A 17 13.457 -14.243 2.802 1.00 0.00 C ATOM 248 CD LYS A 17 12.711 -14.666 4.071 1.00 0.00 C ATOM 249 CE LYS A 17 11.251 -14.218 3.974 1.00 0.00 C ATOM 250 NZ LYS A 17 10.791 -14.110 5.389 1.00 0.00 N ATOM 0 H LYS A 17 13.434 -13.008 0.768 1.00 0.00 H new ATOM 0 HA LYS A 17 15.087 -15.462 0.732 1.00 0.00 H new ATOM 0 HB2 LYS A 17 12.116 -15.088 1.330 1.00 0.00 H new ATOM 0 HB3 LYS A 17 13.216 -16.253 2.040 1.00 0.00 H new ATOM 0 HG2 LYS A 17 14.531 -14.219 2.989 1.00 0.00 H new ATOM 0 HG3 LYS A 17 13.161 -13.235 2.512 1.00 0.00 H new ATOM 0 HD2 LYS A 17 12.764 -15.748 4.194 1.00 0.00 H new ATOM 0 HD3 LYS A 17 13.182 -14.222 4.948 1.00 0.00 H new ATOM 0 HE2 LYS A 17 11.164 -13.263 3.456 1.00 0.00 H new ATOM 0 HE3 LYS A 17 10.652 -14.939 3.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 9.860 -13.648 5.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 10.719 -15.061 5.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 11.474 -13.546 5.934 1.00 0.00 H new ATOM 264 N LEU A 18 13.238 -14.830 -1.729 1.00 0.00 N ATOM 265 CA LEU A 18 12.719 -15.350 -3.021 1.00 0.00 C ATOM 266 C LEU A 18 13.780 -15.151 -4.106 1.00 0.00 C ATOM 267 O LEU A 18 13.761 -15.793 -5.137 1.00 0.00 O ATOM 268 CB LEU A 18 11.478 -14.500 -3.315 1.00 0.00 C ATOM 269 CG LEU A 18 10.415 -14.741 -2.237 1.00 0.00 C ATOM 270 CD1 LEU A 18 10.821 -14.047 -0.939 1.00 0.00 C ATOM 271 CD2 LEU A 18 9.073 -14.177 -2.710 1.00 0.00 C ATOM 0 H LEU A 18 13.294 -13.813 -1.668 1.00 0.00 H new ATOM 0 HA LEU A 18 12.480 -16.413 -2.989 1.00 0.00 H new ATOM 0 HB2 LEU A 18 11.748 -13.444 -3.343 1.00 0.00 H new ATOM 0 HB3 LEU A 18 11.077 -14.753 -4.297 1.00 0.00 H new ATOM 0 HG LEU A 18 10.325 -15.813 -2.060 1.00 0.00 H new ATOM 0 HD11 LEU A 18 10.060 -14.223 -0.179 1.00 0.00 H new ATOM 0 HD12 LEU A 18 11.776 -14.446 -0.596 1.00 0.00 H new ATOM 0 HD13 LEU A 18 10.917 -12.975 -1.114 1.00 0.00 H new ATOM 0 HD21 LEU A 18 8.316 -14.348 -1.944 1.00 0.00 H new ATOM 0 HD22 LEU A 18 9.171 -13.107 -2.890 1.00 0.00 H new ATOM 0 HD23 LEU A 18 8.774 -14.674 -3.633 1.00 0.00 H new ATOM 283 N VAL A 19 14.710 -14.262 -3.873 1.00 0.00 N ATOM 284 CA VAL A 19 15.782 -14.011 -4.877 1.00 0.00 C ATOM 285 C VAL A 19 16.841 -15.116 -4.805 1.00 0.00 C ATOM 286 O VAL A 19 17.249 -15.528 -3.737 1.00 0.00 O ATOM 287 CB VAL A 19 16.393 -12.663 -4.481 1.00 0.00 C ATOM 288 CG1 VAL A 19 17.478 -12.277 -5.488 1.00 0.00 C ATOM 289 CG2 VAL A 19 15.307 -11.585 -4.465 1.00 0.00 C ATOM 0 H VAL A 19 14.772 -13.697 -3.026 1.00 0.00 H new ATOM 0 HA VAL A 19 15.396 -14.001 -5.896 1.00 0.00 H new ATOM 0 HB VAL A 19 16.831 -12.747 -3.486 1.00 0.00 H new ATOM 0 HG11 VAL A 19 17.912 -11.318 -5.205 1.00 0.00 H new ATOM 0 HG12 VAL A 19 18.257 -13.040 -5.494 1.00 0.00 H new ATOM 0 HG13 VAL A 19 17.040 -12.198 -6.483 1.00 0.00 H new ATOM 0 HG21 VAL A 19 15.748 -10.629 -4.183 1.00 0.00 H new ATOM 0 HG22 VAL A 19 14.863 -11.501 -5.457 1.00 0.00 H new ATOM 0 HG23 VAL A 19 14.536 -11.856 -3.744 1.00 0.00 H new ATOM 299 N ARG A 20 17.291 -15.597 -5.932 1.00 0.00 N ATOM 300 CA ARG A 20 18.326 -16.673 -5.925 1.00 0.00 C ATOM 301 C ARG A 20 19.722 -16.059 -6.088 1.00 0.00 C ATOM 302 O ARG A 20 20.326 -15.607 -5.136 1.00 0.00 O ATOM 303 CB ARG A 20 17.979 -17.560 -7.121 1.00 0.00 C ATOM 304 CG ARG A 20 16.765 -18.425 -6.781 1.00 0.00 C ATOM 305 CD ARG A 20 17.013 -19.852 -7.270 1.00 0.00 C ATOM 306 NE ARG A 20 15.718 -20.559 -7.059 1.00 0.00 N ATOM 307 CZ ARG A 20 15.020 -20.962 -8.085 1.00 0.00 C ATOM 308 NH1 ARG A 20 15.619 -21.517 -9.104 1.00 0.00 N ATOM 309 NH2 ARG A 20 13.724 -20.812 -8.093 1.00 0.00 N ATOM 0 H ARG A 20 16.988 -15.292 -6.857 1.00 0.00 H new ATOM 0 HA ARG A 20 18.336 -17.238 -4.993 1.00 0.00 H new ATOM 0 HB2 ARG A 20 17.766 -16.944 -7.994 1.00 0.00 H new ATOM 0 HB3 ARG A 20 18.829 -18.193 -7.377 1.00 0.00 H new ATOM 0 HG2 ARG A 20 16.591 -18.421 -5.705 1.00 0.00 H new ATOM 0 HG3 ARG A 20 15.870 -18.017 -7.250 1.00 0.00 H new ATOM 0 HD2 ARG A 20 17.304 -19.865 -8.320 1.00 0.00 H new ATOM 0 HD3 ARG A 20 17.819 -20.327 -6.710 1.00 0.00 H new ATOM 0 HE ARG A 20 15.377 -20.728 -6.112 1.00 0.00 H new ATOM 0 HH11 ARG A 20 16.632 -21.635 -9.098 1.00 0.00 H new ATOM 0 HH12 ARG A 20 15.074 -21.832 -9.906 1.00 0.00 H new ATOM 0 HH21 ARG A 20 13.256 -20.379 -7.297 1.00 0.00 H new ATOM 0 HH22 ARG A 20 13.179 -21.127 -8.896 1.00 0.00 H new ATOM 323 N ASN A 21 20.234 -16.028 -7.290 1.00 0.00 N ATOM 324 CA ASN A 21 21.582 -15.432 -7.516 1.00 0.00 C ATOM 325 C ASN A 21 21.499 -14.418 -8.657 1.00 0.00 C ATOM 326 O ASN A 21 22.272 -14.449 -9.593 1.00 0.00 O ATOM 327 CB ASN A 21 22.479 -16.609 -7.901 1.00 0.00 C ATOM 328 CG ASN A 21 22.725 -17.485 -6.673 1.00 0.00 C ATOM 329 OD1 ASN A 21 23.552 -17.167 -5.841 1.00 0.00 O ATOM 330 ND2 ASN A 21 22.038 -18.584 -6.524 1.00 0.00 N ATOM 0 H ASN A 21 19.775 -16.390 -8.126 1.00 0.00 H new ATOM 0 HA ASN A 21 21.966 -14.909 -6.641 1.00 0.00 H new ATOM 0 HB2 ASN A 21 22.009 -17.195 -8.691 1.00 0.00 H new ATOM 0 HB3 ASN A 21 23.427 -16.244 -8.296 1.00 0.00 H new ATOM 0 HD21 ASN A 21 22.195 -19.177 -5.709 1.00 0.00 H new ATOM 0 HD22 ASN A 21 21.344 -18.850 -7.223 1.00 0.00 H new ATOM 337 N GLY A 22 20.551 -13.525 -8.585 1.00 0.00 N ATOM 338 CA GLY A 22 20.391 -12.510 -9.663 1.00 0.00 C ATOM 339 C GLY A 22 18.971 -12.603 -10.228 1.00 0.00 C ATOM 340 O GLY A 22 18.636 -11.959 -11.203 1.00 0.00 O ATOM 0 H GLY A 22 19.877 -13.455 -7.822 1.00 0.00 H new ATOM 0 HA2 GLY A 22 20.575 -11.510 -9.269 1.00 0.00 H new ATOM 0 HA3 GLY A 22 21.122 -12.681 -10.453 1.00 0.00 H new ATOM 344 N LYS A 23 18.131 -13.402 -9.622 1.00 0.00 N ATOM 345 CA LYS A 23 16.732 -13.542 -10.118 1.00 0.00 C ATOM 346 C LYS A 23 15.752 -13.427 -8.948 1.00 0.00 C ATOM 347 O LYS A 23 16.108 -13.645 -7.807 1.00 0.00 O ATOM 348 CB LYS A 23 16.658 -14.944 -10.733 1.00 0.00 C ATOM 349 CG LYS A 23 17.918 -15.229 -11.554 1.00 0.00 C ATOM 350 CD LYS A 23 17.876 -14.422 -12.853 1.00 0.00 C ATOM 351 CE LYS A 23 18.976 -14.916 -13.796 1.00 0.00 C ATOM 352 NZ LYS A 23 18.312 -15.938 -14.653 1.00 0.00 N ATOM 0 H LYS A 23 18.356 -13.965 -8.802 1.00 0.00 H new ATOM 0 HA LYS A 23 16.473 -12.768 -10.840 1.00 0.00 H new ATOM 0 HB2 LYS A 23 16.552 -15.690 -9.945 1.00 0.00 H new ATOM 0 HB3 LYS A 23 15.776 -15.024 -11.368 1.00 0.00 H new ATOM 0 HG2 LYS A 23 18.806 -14.966 -10.979 1.00 0.00 H new ATOM 0 HG3 LYS A 23 17.986 -16.294 -11.777 1.00 0.00 H new ATOM 0 HD2 LYS A 23 16.901 -14.527 -13.328 1.00 0.00 H new ATOM 0 HD3 LYS A 23 18.014 -13.362 -12.640 1.00 0.00 H new ATOM 0 HE2 LYS A 23 19.380 -14.100 -14.395 1.00 0.00 H new ATOM 0 HE3 LYS A 23 19.809 -15.346 -13.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 19.001 -16.326 -15.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 17.943 -16.705 -14.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 17.527 -15.497 -15.174 1.00 0.00 H new ATOM 366 N LEU A 24 14.521 -13.095 -9.219 1.00 0.00 N ATOM 367 CA LEU A 24 13.522 -12.977 -8.117 1.00 0.00 C ATOM 368 C LEU A 24 12.387 -13.981 -8.329 1.00 0.00 C ATOM 369 O LEU A 24 11.897 -14.156 -9.428 1.00 0.00 O ATOM 370 CB LEU A 24 12.996 -11.543 -8.208 1.00 0.00 C ATOM 371 CG LEU A 24 12.688 -11.020 -6.804 1.00 0.00 C ATOM 372 CD1 LEU A 24 11.889 -9.718 -6.902 1.00 0.00 C ATOM 373 CD2 LEU A 24 11.864 -12.057 -6.044 1.00 0.00 C ATOM 0 H LEU A 24 14.162 -12.900 -10.154 1.00 0.00 H new ATOM 0 HA LEU A 24 13.956 -13.188 -7.140 1.00 0.00 H new ATOM 0 HB2 LEU A 24 13.735 -10.904 -8.691 1.00 0.00 H new ATOM 0 HB3 LEU A 24 12.097 -11.513 -8.824 1.00 0.00 H new ATOM 0 HG LEU A 24 13.624 -10.835 -6.277 1.00 0.00 H new ATOM 0 HD11 LEU A 24 11.671 -9.348 -5.900 1.00 0.00 H new ATOM 0 HD12 LEU A 24 12.472 -8.974 -7.445 1.00 0.00 H new ATOM 0 HD13 LEU A 24 10.954 -9.904 -7.431 1.00 0.00 H new ATOM 0 HD21 LEU A 24 11.644 -11.685 -5.043 1.00 0.00 H new ATOM 0 HD22 LEU A 24 10.931 -12.241 -6.576 1.00 0.00 H new ATOM 0 HD23 LEU A 24 12.428 -12.987 -5.970 1.00 0.00 H new ATOM 385 N ALA A 25 11.967 -14.647 -7.288 1.00 0.00 N ATOM 386 CA ALA A 25 10.866 -15.644 -7.436 1.00 0.00 C ATOM 387 C ALA A 25 9.549 -15.063 -6.914 1.00 0.00 C ATOM 388 O ALA A 25 9.377 -14.855 -5.730 1.00 0.00 O ATOM 389 CB ALA A 25 11.298 -16.837 -6.585 1.00 0.00 C ATOM 0 H ALA A 25 12.337 -14.545 -6.343 1.00 0.00 H new ATOM 0 HA ALA A 25 10.699 -15.922 -8.477 1.00 0.00 H new ATOM 0 HB1 ALA A 25 10.539 -17.617 -6.640 1.00 0.00 H new ATOM 0 HB2 ALA A 25 12.246 -17.226 -6.958 1.00 0.00 H new ATOM 0 HB3 ALA A 25 11.418 -16.520 -5.549 1.00 0.00 H new ATOM 395 N CYS A 26 8.615 -14.804 -7.788 1.00 0.00 N ATOM 396 CA CYS A 26 7.309 -14.242 -7.342 1.00 0.00 C ATOM 397 C CYS A 26 6.238 -14.476 -8.410 1.00 0.00 C ATOM 398 O CYS A 26 6.449 -15.197 -9.366 1.00 0.00 O ATOM 399 CB CYS A 26 7.562 -12.746 -7.153 1.00 0.00 C ATOM 400 SG CYS A 26 6.912 -12.224 -5.545 1.00 0.00 S ATOM 0 H CYS A 26 8.700 -14.958 -8.793 1.00 0.00 H new ATOM 0 HA CYS A 26 6.950 -14.712 -6.426 1.00 0.00 H new ATOM 0 HB2 CYS A 26 8.630 -12.536 -7.211 1.00 0.00 H new ATOM 0 HB3 CYS A 26 7.082 -12.181 -7.952 1.00 0.00 H new ATOM 405 N THR A 27 5.092 -13.874 -8.255 1.00 0.00 N ATOM 406 CA THR A 27 4.007 -14.063 -9.263 1.00 0.00 C ATOM 407 C THR A 27 3.242 -12.753 -9.470 1.00 0.00 C ATOM 408 O THR A 27 3.611 -11.719 -8.949 1.00 0.00 O ATOM 409 CB THR A 27 3.088 -15.132 -8.665 1.00 0.00 C ATOM 410 OG1 THR A 27 1.837 -15.106 -9.338 1.00 0.00 O ATOM 411 CG2 THR A 27 2.875 -14.858 -7.175 1.00 0.00 C ATOM 0 H THR A 27 4.858 -13.259 -7.475 1.00 0.00 H new ATOM 0 HA THR A 27 4.397 -14.360 -10.236 1.00 0.00 H new ATOM 0 HB THR A 27 3.548 -16.113 -8.785 1.00 0.00 H new ATOM 0 HG1 THR A 27 1.247 -15.790 -8.959 1.00 0.00 H new ATOM 0 HG21 THR A 27 2.220 -15.621 -6.755 1.00 0.00 H new ATOM 0 HG22 THR A 27 3.835 -14.880 -6.660 1.00 0.00 H new ATOM 0 HG23 THR A 27 2.417 -13.877 -7.047 1.00 0.00 H new ATOM 419 N ARG A 28 2.182 -12.788 -10.230 1.00 0.00 N ATOM 420 CA ARG A 28 1.396 -11.544 -10.471 1.00 0.00 C ATOM 421 C ARG A 28 0.983 -10.912 -9.139 1.00 0.00 C ATOM 422 O ARG A 28 0.969 -9.707 -8.991 1.00 0.00 O ATOM 423 CB ARG A 28 0.164 -11.999 -11.254 1.00 0.00 C ATOM 424 CG ARG A 28 0.601 -12.589 -12.596 1.00 0.00 C ATOM 425 CD ARG A 28 -0.631 -12.874 -13.456 1.00 0.00 C ATOM 426 NE ARG A 28 -0.115 -13.646 -14.621 1.00 0.00 N ATOM 427 CZ ARG A 28 -0.083 -13.099 -15.805 1.00 0.00 C ATOM 428 NH1 ARG A 28 1.000 -12.496 -16.216 1.00 0.00 N ATOM 429 NH2 ARG A 28 -1.132 -13.154 -16.578 1.00 0.00 N ATOM 0 H ARG A 28 1.826 -13.623 -10.694 1.00 0.00 H new ATOM 0 HA ARG A 28 1.969 -10.792 -11.014 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -0.390 -12.743 -10.681 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -0.508 -11.156 -11.417 1.00 0.00 H new ATOM 0 HG2 ARG A 28 1.264 -11.894 -13.112 1.00 0.00 H new ATOM 0 HG3 ARG A 28 1.165 -13.508 -12.435 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -1.376 -13.445 -12.902 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -1.112 -11.950 -13.776 1.00 0.00 H new ATOM 0 HE ARG A 28 0.214 -14.603 -14.493 1.00 0.00 H new ATOM 0 HH11 ARG A 28 1.820 -12.453 -15.611 1.00 0.00 H new ATOM 0 HH12 ARG A 28 1.026 -12.068 -17.142 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -1.978 -13.625 -16.257 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -1.106 -12.726 -17.504 1.00 0.00 H new ATOM 443 N GLU A 29 0.648 -11.717 -8.167 1.00 0.00 N ATOM 444 CA GLU A 29 0.239 -11.160 -6.846 1.00 0.00 C ATOM 445 C GLU A 29 -0.925 -10.180 -7.022 1.00 0.00 C ATOM 446 O GLU A 29 -1.195 -9.713 -8.110 1.00 0.00 O ATOM 447 CB GLU A 29 1.478 -10.434 -6.322 1.00 0.00 C ATOM 448 CG GLU A 29 1.155 -9.776 -4.979 1.00 0.00 C ATOM 449 CD GLU A 29 2.384 -9.020 -4.473 1.00 0.00 C ATOM 450 OE1 GLU A 29 3.411 -9.093 -5.127 1.00 0.00 O ATOM 451 OE2 GLU A 29 2.279 -8.381 -3.438 1.00 0.00 O ATOM 0 H GLU A 29 0.640 -12.735 -8.231 1.00 0.00 H new ATOM 0 HA GLU A 29 -0.101 -11.934 -6.158 1.00 0.00 H new ATOM 0 HB2 GLU A 29 2.302 -11.137 -6.205 1.00 0.00 H new ATOM 0 HB3 GLU A 29 1.801 -9.680 -7.040 1.00 0.00 H new ATOM 0 HG2 GLU A 29 0.314 -9.091 -5.090 1.00 0.00 H new ATOM 0 HG3 GLU A 29 0.856 -10.533 -4.254 1.00 0.00 H new ATOM 458 N ASN A 30 -1.615 -9.866 -5.959 1.00 0.00 N ATOM 459 CA ASN A 30 -2.760 -8.916 -6.068 1.00 0.00 C ATOM 460 C ASN A 30 -2.463 -7.638 -5.280 1.00 0.00 C ATOM 461 O ASN A 30 -3.190 -7.269 -4.379 1.00 0.00 O ATOM 462 CB ASN A 30 -3.950 -9.658 -5.458 1.00 0.00 C ATOM 463 CG ASN A 30 -4.305 -10.862 -6.331 1.00 0.00 C ATOM 464 OD1 ASN A 30 -4.442 -10.737 -7.533 1.00 0.00 O ATOM 465 ND2 ASN A 30 -4.460 -12.031 -5.775 1.00 0.00 N ATOM 0 H ASN A 30 -1.436 -10.225 -5.021 1.00 0.00 H new ATOM 0 HA ASN A 30 -2.952 -8.616 -7.098 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -3.707 -9.987 -4.448 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -4.807 -8.989 -5.378 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -4.696 -12.841 -6.348 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -4.345 -12.136 -4.767 1.00 0.00 H new ATOM 472 N ASP A 31 -1.400 -6.958 -5.613 1.00 0.00 N ATOM 473 CA ASP A 31 -1.056 -5.704 -4.883 1.00 0.00 C ATOM 474 C ASP A 31 -0.204 -4.791 -5.773 1.00 0.00 C ATOM 475 O ASP A 31 1.000 -4.728 -5.617 1.00 0.00 O ATOM 476 CB ASP A 31 -0.257 -6.162 -3.662 1.00 0.00 C ATOM 477 CG ASP A 31 -0.013 -4.969 -2.735 1.00 0.00 C ATOM 478 OD1 ASP A 31 0.711 -4.073 -3.134 1.00 0.00 O ATOM 479 OD2 ASP A 31 -0.557 -4.973 -1.642 1.00 0.00 O ATOM 0 H ASP A 31 -0.754 -7.216 -6.359 1.00 0.00 H new ATOM 0 HA ASP A 31 -1.941 -5.135 -4.599 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -0.800 -6.944 -3.131 1.00 0.00 H new ATOM 0 HB3 ASP A 31 0.694 -6.592 -3.977 1.00 0.00 H new ATOM 484 N PRO A 32 -0.856 -4.108 -6.682 1.00 0.00 N ATOM 485 CA PRO A 32 -0.147 -3.192 -7.604 1.00 0.00 C ATOM 486 C PRO A 32 0.533 -2.066 -6.823 1.00 0.00 C ATOM 487 O PRO A 32 0.084 -1.667 -5.767 1.00 0.00 O ATOM 488 CB PRO A 32 -1.279 -2.649 -8.480 1.00 0.00 C ATOM 489 CG PRO A 32 -2.607 -3.282 -8.021 1.00 0.00 C ATOM 490 CD PRO A 32 -2.324 -4.215 -6.836 1.00 0.00 C ATOM 0 HA PRO A 32 0.644 -3.675 -8.178 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -1.331 -1.563 -8.400 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -1.091 -2.883 -9.528 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -3.315 -2.506 -7.730 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -3.063 -3.839 -8.840 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -2.850 -3.897 -5.936 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -2.636 -5.239 -7.043 1.00 0.00 H new ATOM 498 N ILE A 33 1.613 -1.551 -7.340 1.00 0.00 N ATOM 499 CA ILE A 33 2.329 -0.447 -6.634 1.00 0.00 C ATOM 500 C ILE A 33 3.056 0.441 -7.647 1.00 0.00 C ATOM 501 O ILE A 33 2.812 0.378 -8.836 1.00 0.00 O ATOM 502 CB ILE A 33 3.332 -1.135 -5.695 1.00 0.00 C ATOM 503 CG1 ILE A 33 4.577 -1.567 -6.477 1.00 0.00 C ATOM 504 CG2 ILE A 33 2.683 -2.366 -5.054 1.00 0.00 C ATOM 505 CD1 ILE A 33 4.160 -2.413 -7.681 1.00 0.00 C ATOM 0 H ILE A 33 2.033 -1.846 -8.222 1.00 0.00 H new ATOM 0 HA ILE A 33 1.644 0.195 -6.080 1.00 0.00 H new ATOM 0 HB ILE A 33 3.624 -0.429 -4.917 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.131 -0.690 -6.811 1.00 0.00 H new ATOM 0 HG13 ILE A 33 5.244 -2.139 -5.832 1.00 0.00 H new ATOM 0 HG21 ILE A 33 3.399 -2.850 -4.389 1.00 0.00 H new ATOM 0 HG22 ILE A 33 1.807 -2.059 -4.483 1.00 0.00 H new ATOM 0 HG23 ILE A 33 2.381 -3.066 -5.833 1.00 0.00 H new ATOM 0 HD11 ILE A 33 5.047 -2.719 -8.235 1.00 0.00 H new ATOM 0 HD12 ILE A 33 3.625 -3.298 -7.336 1.00 0.00 H new ATOM 0 HD13 ILE A 33 3.511 -1.826 -8.331 1.00 0.00 H new ATOM 517 N GLN A 34 3.949 1.267 -7.180 1.00 0.00 N ATOM 518 CA GLN A 34 4.699 2.162 -8.107 1.00 0.00 C ATOM 519 C GLN A 34 6.182 2.190 -7.726 1.00 0.00 C ATOM 520 O GLN A 34 6.538 2.064 -6.572 1.00 0.00 O ATOM 521 CB GLN A 34 4.072 3.544 -7.920 1.00 0.00 C ATOM 522 CG GLN A 34 2.583 3.480 -8.264 1.00 0.00 C ATOM 523 CD GLN A 34 1.943 4.848 -8.017 1.00 0.00 C ATOM 524 OE1 GLN A 34 2.399 5.603 -7.181 1.00 0.00 O ATOM 525 NE2 GLN A 34 0.900 5.202 -8.716 1.00 0.00 N ATOM 0 H GLN A 34 4.193 1.362 -6.194 1.00 0.00 H new ATOM 0 HA GLN A 34 4.641 1.826 -9.142 1.00 0.00 H new ATOM 0 HB2 GLN A 34 4.204 3.879 -6.891 1.00 0.00 H new ATOM 0 HB3 GLN A 34 4.573 4.272 -8.559 1.00 0.00 H new ATOM 0 HG2 GLN A 34 2.452 3.188 -9.306 1.00 0.00 H new ATOM 0 HG3 GLN A 34 2.091 2.721 -7.656 1.00 0.00 H new ATOM 0 HE21 GLN A 34 0.517 4.568 -9.418 1.00 0.00 H new ATOM 0 HE22 GLN A 34 0.467 6.113 -8.561 1.00 0.00 H new ATOM 534 N GLY A 35 7.049 2.357 -8.687 1.00 0.00 N ATOM 535 CA GLY A 35 8.506 2.393 -8.378 1.00 0.00 C ATOM 536 C GLY A 35 8.903 3.815 -7.964 1.00 0.00 C ATOM 537 O GLY A 35 8.141 4.743 -8.143 1.00 0.00 O ATOM 0 H GLY A 35 6.811 2.470 -9.672 1.00 0.00 H new ATOM 0 HA2 GLY A 35 8.737 1.691 -7.577 1.00 0.00 H new ATOM 0 HA3 GLY A 35 9.082 2.082 -9.250 1.00 0.00 H new ATOM 541 N PRO A 36 10.091 3.942 -7.423 1.00 0.00 N ATOM 542 CA PRO A 36 10.589 5.265 -6.982 1.00 0.00 C ATOM 543 C PRO A 36 10.677 6.230 -8.168 1.00 0.00 C ATOM 544 O PRO A 36 10.717 7.432 -8.000 1.00 0.00 O ATOM 545 CB PRO A 36 11.982 4.936 -6.436 1.00 0.00 C ATOM 546 CG PRO A 36 12.228 3.421 -6.587 1.00 0.00 C ATOM 547 CD PRO A 36 10.989 2.779 -7.225 1.00 0.00 C ATOM 0 HA PRO A 36 9.945 5.753 -6.251 1.00 0.00 H new ATOM 0 HB2 PRO A 36 12.743 5.498 -6.978 1.00 0.00 H new ATOM 0 HB3 PRO A 36 12.056 5.228 -5.388 1.00 0.00 H new ATOM 0 HG2 PRO A 36 13.107 3.241 -7.206 1.00 0.00 H new ATOM 0 HG3 PRO A 36 12.427 2.972 -5.614 1.00 0.00 H new ATOM 0 HD2 PRO A 36 11.227 2.285 -8.167 1.00 0.00 H new ATOM 0 HD3 PRO A 36 10.542 2.027 -6.575 1.00 0.00 H new ATOM 555 N ASP A 37 10.704 5.712 -9.365 1.00 0.00 N ATOM 556 CA ASP A 37 10.787 6.601 -10.560 1.00 0.00 C ATOM 557 C ASP A 37 9.385 7.016 -11.005 1.00 0.00 C ATOM 558 O ASP A 37 9.187 7.490 -12.106 1.00 0.00 O ATOM 559 CB ASP A 37 11.467 5.757 -11.638 1.00 0.00 C ATOM 560 CG ASP A 37 12.875 5.376 -11.175 1.00 0.00 C ATOM 561 OD1 ASP A 37 13.357 5.992 -10.238 1.00 0.00 O ATOM 562 OD2 ASP A 37 13.446 4.473 -11.764 1.00 0.00 O ATOM 0 H ASP A 37 10.672 4.713 -9.568 1.00 0.00 H new ATOM 0 HA ASP A 37 11.340 7.518 -10.356 1.00 0.00 H new ATOM 0 HB2 ASP A 37 10.882 4.859 -11.835 1.00 0.00 H new ATOM 0 HB3 ASP A 37 11.519 6.315 -12.573 1.00 0.00 H new ATOM 567 N GLY A 38 8.411 6.846 -10.156 1.00 0.00 N ATOM 568 CA GLY A 38 7.024 7.232 -10.528 1.00 0.00 C ATOM 569 C GLY A 38 6.474 6.239 -11.556 1.00 0.00 C ATOM 570 O GLY A 38 5.439 6.459 -12.152 1.00 0.00 O ATOM 0 H GLY A 38 8.517 6.456 -9.220 1.00 0.00 H new ATOM 0 HA2 GLY A 38 6.389 7.244 -9.642 1.00 0.00 H new ATOM 0 HA3 GLY A 38 7.014 8.241 -10.940 1.00 0.00 H new ATOM 574 N LYS A 39 7.160 5.149 -11.766 1.00 0.00 N ATOM 575 CA LYS A 39 6.676 4.144 -12.756 1.00 0.00 C ATOM 576 C LYS A 39 5.837 3.072 -12.056 1.00 0.00 C ATOM 577 O LYS A 39 5.878 2.927 -10.851 1.00 0.00 O ATOM 578 CB LYS A 39 7.944 3.530 -13.349 1.00 0.00 C ATOM 579 CG LYS A 39 8.619 4.546 -14.274 1.00 0.00 C ATOM 580 CD LYS A 39 9.756 3.865 -15.036 1.00 0.00 C ATOM 581 CE LYS A 39 10.655 4.930 -15.670 1.00 0.00 C ATOM 582 NZ LYS A 39 11.108 4.331 -16.956 1.00 0.00 N ATOM 0 H LYS A 39 8.033 4.911 -11.296 1.00 0.00 H new ATOM 0 HA LYS A 39 6.043 4.591 -13.522 1.00 0.00 H new ATOM 0 HB2 LYS A 39 8.627 3.239 -12.551 1.00 0.00 H new ATOM 0 HB3 LYS A 39 7.697 2.625 -13.904 1.00 0.00 H new ATOM 0 HG2 LYS A 39 7.891 4.955 -14.975 1.00 0.00 H new ATOM 0 HG3 LYS A 39 9.007 5.382 -13.692 1.00 0.00 H new ATOM 0 HD2 LYS A 39 10.338 3.239 -14.360 1.00 0.00 H new ATOM 0 HD3 LYS A 39 9.350 3.210 -15.807 1.00 0.00 H new ATOM 0 HE2 LYS A 39 10.110 5.859 -15.837 1.00 0.00 H new ATOM 0 HE3 LYS A 39 11.501 5.168 -15.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 11.730 5.001 -17.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 11.629 3.452 -16.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 10.282 4.121 -17.551 1.00 0.00 H new ATOM 596 N VAL A 40 5.075 2.320 -12.803 1.00 0.00 N ATOM 597 CA VAL A 40 4.235 1.257 -12.179 1.00 0.00 C ATOM 598 C VAL A 40 4.730 -0.127 -12.606 1.00 0.00 C ATOM 599 O VAL A 40 5.298 -0.293 -13.668 1.00 0.00 O ATOM 600 CB VAL A 40 2.823 1.508 -12.709 1.00 0.00 C ATOM 601 CG1 VAL A 40 1.857 0.503 -12.081 1.00 0.00 C ATOM 602 CG2 VAL A 40 2.386 2.929 -12.345 1.00 0.00 C ATOM 0 H VAL A 40 4.998 2.395 -13.817 1.00 0.00 H new ATOM 0 HA VAL A 40 4.274 1.286 -11.090 1.00 0.00 H new ATOM 0 HB VAL A 40 2.816 1.392 -13.793 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.850 0.681 -12.458 1.00 0.00 H new ATOM 0 HG12 VAL A 40 2.167 -0.510 -12.339 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.864 0.620 -10.997 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.379 3.108 -12.723 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.393 3.045 -11.261 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.074 3.647 -12.791 1.00 0.00 H new ATOM 612 N HIS A 41 4.522 -1.121 -11.787 1.00 0.00 N ATOM 613 CA HIS A 41 4.983 -2.493 -12.147 1.00 0.00 C ATOM 614 C HIS A 41 3.860 -3.507 -11.911 1.00 0.00 C ATOM 615 O HIS A 41 2.786 -3.166 -11.460 1.00 0.00 O ATOM 616 CB HIS A 41 6.162 -2.771 -11.215 1.00 0.00 C ATOM 617 CG HIS A 41 7.098 -1.594 -11.227 1.00 0.00 C ATOM 618 ND1 HIS A 41 7.995 -1.374 -12.260 1.00 0.00 N ATOM 619 CD2 HIS A 41 7.288 -0.564 -10.339 1.00 0.00 C ATOM 620 CE1 HIS A 41 8.678 -0.250 -11.971 1.00 0.00 C ATOM 621 NE2 HIS A 41 8.286 0.283 -10.811 1.00 0.00 N ATOM 0 H HIS A 41 4.053 -1.043 -10.884 1.00 0.00 H new ATOM 0 HA HIS A 41 5.266 -2.572 -13.197 1.00 0.00 H new ATOM 0 HB2 HIS A 41 5.803 -2.954 -10.202 1.00 0.00 H new ATOM 0 HB3 HIS A 41 6.688 -3.671 -11.534 1.00 0.00 H new ATOM 0 HD1 HIS A 41 8.116 -1.957 -13.088 1.00 0.00 H new ATOM 0 HD2 HIS A 41 6.745 -0.431 -9.415 1.00 0.00 H new ATOM 0 HE1 HIS A 41 9.449 0.169 -12.601 1.00 0.00 H new ATOM 629 N GLY A 42 4.103 -4.754 -12.213 1.00 0.00 N ATOM 630 CA GLY A 42 3.050 -5.788 -12.007 1.00 0.00 C ATOM 631 C GLY A 42 2.657 -5.828 -10.529 1.00 0.00 C ATOM 632 O GLY A 42 1.529 -5.553 -10.169 1.00 0.00 O ATOM 0 H GLY A 42 4.984 -5.100 -12.593 1.00 0.00 H new ATOM 0 HA2 GLY A 42 2.178 -5.561 -12.620 1.00 0.00 H new ATOM 0 HA3 GLY A 42 3.417 -6.764 -12.323 1.00 0.00 H new ATOM 636 N ASN A 43 3.579 -6.168 -9.668 1.00 0.00 N ATOM 637 CA ASN A 43 3.254 -6.226 -8.214 1.00 0.00 C ATOM 638 C ASN A 43 4.462 -5.793 -7.382 1.00 0.00 C ATOM 639 O ASN A 43 5.420 -5.245 -7.890 1.00 0.00 O ATOM 640 CB ASN A 43 2.914 -7.690 -7.937 1.00 0.00 C ATOM 641 CG ASN A 43 4.073 -8.579 -8.390 1.00 0.00 C ATOM 642 OD1 ASN A 43 4.782 -8.249 -9.319 1.00 0.00 O ATOM 643 ND2 ASN A 43 4.297 -9.704 -7.767 1.00 0.00 N ATOM 0 H ASN A 43 4.541 -6.407 -9.908 1.00 0.00 H new ATOM 0 HA ASN A 43 2.432 -5.560 -7.952 1.00 0.00 H new ATOM 0 HB2 ASN A 43 2.725 -7.835 -6.873 1.00 0.00 H new ATOM 0 HB3 ASN A 43 2.001 -7.968 -8.464 1.00 0.00 H new ATOM 0 HD21 ASN A 43 5.067 -10.305 -8.061 1.00 0.00 H new ATOM 0 HD22 ASN A 43 3.702 -9.982 -6.987 1.00 0.00 H new ATOM 650 N THR A 44 4.418 -6.036 -6.102 1.00 0.00 N ATOM 651 CA THR A 44 5.558 -5.644 -5.224 1.00 0.00 C ATOM 652 C THR A 44 6.833 -6.365 -5.656 1.00 0.00 C ATOM 653 O THR A 44 7.927 -5.859 -5.494 1.00 0.00 O ATOM 654 CB THR A 44 5.143 -6.079 -3.817 1.00 0.00 C ATOM 655 OG1 THR A 44 4.035 -5.299 -3.389 1.00 0.00 O ATOM 656 CG2 THR A 44 6.314 -5.878 -2.854 1.00 0.00 C ATOM 0 H THR A 44 3.640 -6.490 -5.624 1.00 0.00 H new ATOM 0 HA THR A 44 5.768 -4.576 -5.274 1.00 0.00 H new ATOM 0 HB THR A 44 4.862 -7.132 -3.829 1.00 0.00 H new ATOM 0 HG1 THR A 44 3.767 -5.578 -2.489 1.00 0.00 H new ATOM 0 HG21 THR A 44 6.018 -6.188 -1.852 1.00 0.00 H new ATOM 0 HG22 THR A 44 7.163 -6.477 -3.183 1.00 0.00 H new ATOM 0 HG23 THR A 44 6.597 -4.825 -2.840 1.00 0.00 H new ATOM 664 N CYS A 45 6.710 -7.540 -6.213 1.00 0.00 N ATOM 665 CA CYS A 45 7.932 -8.269 -6.657 1.00 0.00 C ATOM 666 C CYS A 45 8.548 -7.541 -7.850 1.00 0.00 C ATOM 667 O CYS A 45 9.693 -7.141 -7.816 1.00 0.00 O ATOM 668 CB CYS A 45 7.476 -9.671 -7.065 1.00 0.00 C ATOM 669 SG CYS A 45 6.302 -10.323 -5.852 1.00 0.00 S ATOM 0 H CYS A 45 5.826 -8.022 -6.378 1.00 0.00 H new ATOM 0 HA CYS A 45 8.683 -8.321 -5.869 1.00 0.00 H new ATOM 0 HB2 CYS A 45 7.011 -9.638 -8.050 1.00 0.00 H new ATOM 0 HB3 CYS A 45 8.338 -10.334 -7.141 1.00 0.00 H new ATOM 674 N SER A 46 7.790 -7.351 -8.901 1.00 0.00 N ATOM 675 CA SER A 46 8.337 -6.626 -10.084 1.00 0.00 C ATOM 676 C SER A 46 9.119 -5.411 -9.591 1.00 0.00 C ATOM 677 O SER A 46 10.190 -5.104 -10.075 1.00 0.00 O ATOM 678 CB SER A 46 7.114 -6.197 -10.895 1.00 0.00 C ATOM 679 OG SER A 46 6.577 -7.322 -11.574 1.00 0.00 O ATOM 0 H SER A 46 6.823 -7.665 -8.989 1.00 0.00 H new ATOM 0 HA SER A 46 9.011 -7.234 -10.687 1.00 0.00 H new ATOM 0 HB2 SER A 46 6.362 -5.763 -10.236 1.00 0.00 H new ATOM 0 HB3 SER A 46 7.393 -5.425 -11.612 1.00 0.00 H new ATOM 0 HG SER A 46 5.942 -7.785 -10.988 1.00 0.00 H new ATOM 685 N MET A 47 8.598 -4.739 -8.602 1.00 0.00 N ATOM 686 CA MET A 47 9.315 -3.564 -8.038 1.00 0.00 C ATOM 687 C MET A 47 10.555 -4.064 -7.304 1.00 0.00 C ATOM 688 O MET A 47 11.619 -3.482 -7.368 1.00 0.00 O ATOM 689 CB MET A 47 8.330 -2.942 -7.051 1.00 0.00 C ATOM 690 CG MET A 47 8.765 -1.513 -6.723 1.00 0.00 C ATOM 691 SD MET A 47 7.422 -0.654 -5.865 1.00 0.00 S ATOM 692 CE MET A 47 7.645 -1.438 -4.250 1.00 0.00 C ATOM 0 H MET A 47 7.704 -4.954 -8.160 1.00 0.00 H new ATOM 0 HA MET A 47 9.632 -2.846 -8.794 1.00 0.00 H new ATOM 0 HB2 MET A 47 7.327 -2.939 -7.477 1.00 0.00 H new ATOM 0 HB3 MET A 47 8.288 -3.538 -6.139 1.00 0.00 H new ATOM 0 HG2 MET A 47 9.659 -1.528 -6.099 1.00 0.00 H new ATOM 0 HG3 MET A 47 9.024 -0.981 -7.639 1.00 0.00 H new ATOM 0 HE1 MET A 47 6.746 -1.998 -3.990 1.00 0.00 H new ATOM 0 HE2 MET A 47 8.497 -2.117 -4.290 1.00 0.00 H new ATOM 0 HE3 MET A 47 7.827 -0.672 -3.496 1.00 0.00 H new ATOM 702 N CYS A 48 10.408 -5.158 -6.614 1.00 0.00 N ATOM 703 CA CYS A 48 11.555 -5.745 -5.866 1.00 0.00 C ATOM 704 C CYS A 48 12.581 -6.319 -6.849 1.00 0.00 C ATOM 705 O CYS A 48 13.766 -6.328 -6.586 1.00 0.00 O ATOM 706 CB CYS A 48 10.931 -6.852 -5.007 1.00 0.00 C ATOM 707 SG CYS A 48 9.976 -6.121 -3.647 1.00 0.00 S ATOM 0 H CYS A 48 9.533 -5.677 -6.535 1.00 0.00 H new ATOM 0 HA CYS A 48 12.084 -5.012 -5.257 1.00 0.00 H new ATOM 0 HB2 CYS A 48 10.284 -7.478 -5.621 1.00 0.00 H new ATOM 0 HB3 CYS A 48 11.713 -7.497 -4.607 1.00 0.00 H new ATOM 712 N GLU A 49 12.140 -6.784 -7.989 1.00 0.00 N ATOM 713 CA GLU A 49 13.104 -7.335 -8.986 1.00 0.00 C ATOM 714 C GLU A 49 14.048 -6.223 -9.443 1.00 0.00 C ATOM 715 O GLU A 49 15.245 -6.408 -9.534 1.00 0.00 O ATOM 716 CB GLU A 49 12.245 -7.824 -10.154 1.00 0.00 C ATOM 717 CG GLU A 49 11.344 -8.970 -9.692 1.00 0.00 C ATOM 718 CD GLU A 49 10.605 -9.555 -10.898 1.00 0.00 C ATOM 719 OE1 GLU A 49 10.675 -8.956 -11.958 1.00 0.00 O ATOM 720 OE2 GLU A 49 9.985 -10.593 -10.741 1.00 0.00 O ATOM 0 H GLU A 49 11.160 -6.806 -8.271 1.00 0.00 H new ATOM 0 HA GLU A 49 13.715 -8.140 -8.578 1.00 0.00 H new ATOM 0 HB2 GLU A 49 11.638 -7.005 -10.539 1.00 0.00 H new ATOM 0 HB3 GLU A 49 12.884 -8.159 -10.972 1.00 0.00 H new ATOM 0 HG2 GLU A 49 11.940 -9.743 -9.207 1.00 0.00 H new ATOM 0 HG3 GLU A 49 10.628 -8.609 -8.953 1.00 0.00 H new ATOM 727 N VAL A 50 13.518 -5.060 -9.714 1.00 0.00 N ATOM 728 CA VAL A 50 14.385 -3.930 -10.144 1.00 0.00 C ATOM 729 C VAL A 50 15.367 -3.613 -9.026 1.00 0.00 C ATOM 730 O VAL A 50 16.566 -3.566 -9.220 1.00 0.00 O ATOM 731 CB VAL A 50 13.433 -2.755 -10.351 1.00 0.00 C ATOM 732 CG1 VAL A 50 14.224 -1.539 -10.834 1.00 0.00 C ATOM 733 CG2 VAL A 50 12.380 -3.134 -11.388 1.00 0.00 C ATOM 0 H VAL A 50 12.522 -4.846 -9.656 1.00 0.00 H new ATOM 0 HA VAL A 50 14.955 -4.152 -11.046 1.00 0.00 H new ATOM 0 HB VAL A 50 12.940 -2.511 -9.410 1.00 0.00 H new ATOM 0 HG11 VAL A 50 13.545 -0.699 -10.982 1.00 0.00 H new ATOM 0 HG12 VAL A 50 14.973 -1.273 -10.089 1.00 0.00 H new ATOM 0 HG13 VAL A 50 14.718 -1.777 -11.776 1.00 0.00 H new ATOM 0 HG21 VAL A 50 11.699 -2.296 -11.538 1.00 0.00 H new ATOM 0 HG22 VAL A 50 12.869 -3.377 -12.331 1.00 0.00 H new ATOM 0 HG23 VAL A 50 11.819 -4.000 -11.037 1.00 0.00 H new ATOM 743 N PHE A 51 14.857 -3.413 -7.847 1.00 0.00 N ATOM 744 CA PHE A 51 15.743 -3.116 -6.693 1.00 0.00 C ATOM 745 C PHE A 51 16.744 -4.258 -6.531 1.00 0.00 C ATOM 746 O PHE A 51 17.923 -4.047 -6.326 1.00 0.00 O ATOM 747 CB PHE A 51 14.809 -3.037 -5.488 1.00 0.00 C ATOM 748 CG PHE A 51 15.627 -2.980 -4.224 1.00 0.00 C ATOM 749 CD1 PHE A 51 16.576 -1.967 -4.054 1.00 0.00 C ATOM 750 CD2 PHE A 51 15.436 -3.940 -3.224 1.00 0.00 C ATOM 751 CE1 PHE A 51 17.337 -1.912 -2.879 1.00 0.00 C ATOM 752 CE2 PHE A 51 16.196 -3.886 -2.050 1.00 0.00 C ATOM 753 CZ PHE A 51 17.146 -2.872 -1.877 1.00 0.00 C ATOM 0 H PHE A 51 13.860 -3.443 -7.632 1.00 0.00 H new ATOM 0 HA PHE A 51 16.312 -2.194 -6.815 1.00 0.00 H new ATOM 0 HB2 PHE A 51 14.174 -2.154 -5.563 1.00 0.00 H new ATOM 0 HB3 PHE A 51 14.149 -3.904 -5.468 1.00 0.00 H new ATOM 0 HD1 PHE A 51 16.722 -1.228 -4.828 1.00 0.00 H new ATOM 0 HD2 PHE A 51 14.703 -4.722 -3.358 1.00 0.00 H new ATOM 0 HE1 PHE A 51 18.070 -1.130 -2.746 1.00 0.00 H new ATOM 0 HE2 PHE A 51 16.050 -4.626 -1.277 1.00 0.00 H new ATOM 0 HZ PHE A 51 17.732 -2.830 -0.971 1.00 0.00 H new ATOM 763 N PHE A 52 16.275 -5.468 -6.639 1.00 0.00 N ATOM 764 CA PHE A 52 17.186 -6.638 -6.512 1.00 0.00 C ATOM 765 C PHE A 52 18.204 -6.620 -7.654 1.00 0.00 C ATOM 766 O PHE A 52 19.370 -6.904 -7.465 1.00 0.00 O ATOM 767 CB PHE A 52 16.271 -7.859 -6.620 1.00 0.00 C ATOM 768 CG PHE A 52 15.726 -8.200 -5.253 1.00 0.00 C ATOM 769 CD1 PHE A 52 16.565 -8.168 -4.132 1.00 0.00 C ATOM 770 CD2 PHE A 52 14.377 -8.542 -5.107 1.00 0.00 C ATOM 771 CE1 PHE A 52 16.054 -8.477 -2.866 1.00 0.00 C ATOM 772 CE2 PHE A 52 13.868 -8.852 -3.843 1.00 0.00 C ATOM 773 CZ PHE A 52 14.704 -8.819 -2.722 1.00 0.00 C ATOM 0 H PHE A 52 15.296 -5.698 -6.810 1.00 0.00 H new ATOM 0 HA PHE A 52 17.749 -6.638 -5.579 1.00 0.00 H new ATOM 0 HB2 PHE A 52 15.452 -7.654 -7.309 1.00 0.00 H new ATOM 0 HB3 PHE A 52 16.824 -8.707 -7.025 1.00 0.00 H new ATOM 0 HD1 PHE A 52 17.606 -7.905 -4.244 1.00 0.00 H new ATOM 0 HD2 PHE A 52 13.729 -8.566 -5.971 1.00 0.00 H new ATOM 0 HE1 PHE A 52 16.700 -8.452 -2.001 1.00 0.00 H new ATOM 0 HE2 PHE A 52 12.827 -9.118 -3.731 1.00 0.00 H new ATOM 0 HZ PHE A 52 14.308 -9.057 -1.746 1.00 0.00 H new ATOM 783 N GLN A 53 17.770 -6.279 -8.836 1.00 0.00 N ATOM 784 CA GLN A 53 18.713 -6.230 -9.989 1.00 0.00 C ATOM 785 C GLN A 53 19.777 -5.162 -9.737 1.00 0.00 C ATOM 786 O GLN A 53 20.959 -5.397 -9.892 1.00 0.00 O ATOM 787 CB GLN A 53 17.845 -5.850 -11.188 1.00 0.00 C ATOM 788 CG GLN A 53 18.571 -6.221 -12.482 1.00 0.00 C ATOM 789 CD GLN A 53 17.852 -5.581 -13.671 1.00 0.00 C ATOM 790 OE1 GLN A 53 18.462 -5.292 -14.681 1.00 0.00 O ATOM 791 NE2 GLN A 53 16.571 -5.345 -13.593 1.00 0.00 N ATOM 0 H GLN A 53 16.804 -6.032 -9.053 1.00 0.00 H new ATOM 0 HA GLN A 53 19.234 -7.174 -10.148 1.00 0.00 H new ATOM 0 HB2 GLN A 53 16.887 -6.367 -11.135 1.00 0.00 H new ATOM 0 HB3 GLN A 53 17.632 -4.781 -11.172 1.00 0.00 H new ATOM 0 HG2 GLN A 53 19.605 -5.880 -12.442 1.00 0.00 H new ATOM 0 HG3 GLN A 53 18.597 -7.304 -12.599 1.00 0.00 H new ATOM 0 HE21 GLN A 53 16.058 -5.588 -12.745 1.00 0.00 H new ATOM 0 HE22 GLN A 53 16.082 -4.918 -14.380 1.00 0.00 H new ATOM 800 N ALA A 54 19.362 -3.989 -9.346 1.00 0.00 N ATOM 801 CA ALA A 54 20.345 -2.900 -9.077 1.00 0.00 C ATOM 802 C ALA A 54 21.349 -3.352 -8.014 1.00 0.00 C ATOM 803 O ALA A 54 22.513 -3.006 -8.060 1.00 0.00 O ATOM 804 CB ALA A 54 19.507 -1.729 -8.560 1.00 0.00 C ATOM 0 H ALA A 54 18.384 -3.737 -9.201 1.00 0.00 H new ATOM 0 HA ALA A 54 20.918 -2.629 -9.964 1.00 0.00 H new ATOM 0 HB1 ALA A 54 20.160 -0.885 -8.338 1.00 0.00 H new ATOM 0 HB2 ALA A 54 18.782 -1.437 -9.320 1.00 0.00 H new ATOM 0 HB3 ALA A 54 18.982 -2.030 -7.653 1.00 0.00 H new ATOM 810 N GLU A 55 20.909 -4.125 -7.059 1.00 0.00 N ATOM 811 CA GLU A 55 21.843 -4.600 -5.997 1.00 0.00 C ATOM 812 C GLU A 55 22.881 -5.550 -6.598 1.00 0.00 C ATOM 813 O GLU A 55 23.953 -5.737 -6.058 1.00 0.00 O ATOM 814 CB GLU A 55 20.959 -5.336 -4.991 1.00 0.00 C ATOM 815 CG GLU A 55 20.145 -4.320 -4.187 1.00 0.00 C ATOM 816 CD GLU A 55 21.095 -3.336 -3.500 1.00 0.00 C ATOM 817 OE1 GLU A 55 22.263 -3.661 -3.376 1.00 0.00 O ATOM 818 OE2 GLU A 55 20.637 -2.275 -3.112 1.00 0.00 O ATOM 0 H GLU A 55 19.946 -4.448 -6.968 1.00 0.00 H new ATOM 0 HA GLU A 55 22.392 -3.782 -5.531 1.00 0.00 H new ATOM 0 HB2 GLU A 55 20.291 -6.022 -5.512 1.00 0.00 H new ATOM 0 HB3 GLU A 55 21.574 -5.937 -4.321 1.00 0.00 H new ATOM 0 HG2 GLU A 55 19.461 -3.783 -4.845 1.00 0.00 H new ATOM 0 HG3 GLU A 55 19.535 -4.833 -3.443 1.00 0.00 H new ATOM 825 N GLU A 56 22.571 -6.150 -7.716 1.00 0.00 N ATOM 826 CA GLU A 56 23.539 -7.086 -8.354 1.00 0.00 C ATOM 827 C GLU A 56 24.721 -6.306 -8.934 1.00 0.00 C ATOM 828 O GLU A 56 25.837 -6.787 -8.972 1.00 0.00 O ATOM 829 CB GLU A 56 22.749 -7.772 -9.468 1.00 0.00 C ATOM 830 CG GLU A 56 23.612 -8.861 -10.109 1.00 0.00 C ATOM 831 CD GLU A 56 22.855 -9.486 -11.283 1.00 0.00 C ATOM 832 OE1 GLU A 56 21.757 -9.035 -11.563 1.00 0.00 O ATOM 833 OE2 GLU A 56 23.387 -10.408 -11.881 1.00 0.00 O ATOM 0 H GLU A 56 21.689 -6.032 -8.214 1.00 0.00 H new ATOM 0 HA GLU A 56 23.950 -7.805 -7.645 1.00 0.00 H new ATOM 0 HB2 GLU A 56 21.835 -8.208 -9.065 1.00 0.00 H new ATOM 0 HB3 GLU A 56 22.449 -7.041 -10.219 1.00 0.00 H new ATOM 0 HG2 GLU A 56 24.555 -8.437 -10.455 1.00 0.00 H new ATOM 0 HG3 GLU A 56 23.858 -9.626 -9.372 1.00 0.00 H new