USER MOD reduce.3.24.130724 H: found=0, std=0, add=130, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 130 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 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= -0.02 K(o=-0.02,f=-0.52) USER MOD ----------------------------------------------------------------- ATOM 72 N SER A 5 -13.263 -0.666 0.682 1.00 0.00 N ATOM 73 CA SER A 5 -12.515 0.312 1.534 1.00 0.00 C ATOM 74 C SER A 5 -11.171 -0.277 1.985 1.00 0.00 C ATOM 75 O SER A 5 -10.279 0.443 2.390 1.00 0.00 O ATOM 76 CB SER A 5 -13.419 0.574 2.738 1.00 0.00 C ATOM 77 OG SER A 5 -13.572 1.977 2.909 1.00 0.00 O ATOM 0 HA SER A 5 -12.287 1.229 0.991 1.00 0.00 H new ATOM 0 HB2 SER A 5 -14.391 0.105 2.587 1.00 0.00 H new ATOM 0 HB3 SER A 5 -12.988 0.131 3.636 1.00 0.00 H new ATOM 0 HG SER A 5 -14.153 2.151 3.679 1.00 0.00 H new ATOM 83 N HIS A 6 -11.018 -1.576 1.916 1.00 0.00 N ATOM 84 CA HIS A 6 -9.729 -2.206 2.338 1.00 0.00 C ATOM 85 C HIS A 6 -8.746 -2.258 1.162 1.00 0.00 C ATOM 86 O HIS A 6 -7.549 -2.258 1.354 1.00 0.00 O ATOM 87 CB HIS A 6 -10.099 -3.621 2.796 1.00 0.00 C ATOM 88 CG HIS A 6 -8.875 -4.312 3.337 1.00 0.00 C ATOM 89 ND1 HIS A 6 -8.273 -5.374 2.679 1.00 0.00 N ATOM 90 CD2 HIS A 6 -8.127 -4.100 4.468 1.00 0.00 C ATOM 91 CE1 HIS A 6 -7.213 -5.756 3.412 1.00 0.00 C ATOM 92 NE2 HIS A 6 -7.077 -5.013 4.513 1.00 0.00 N ATOM 0 H HIS A 6 -11.730 -2.227 1.586 1.00 0.00 H new ATOM 0 HA HIS A 6 -9.240 -1.640 3.131 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -10.872 -3.576 3.563 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -10.511 -4.189 1.961 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -8.323 -3.340 5.210 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -6.551 -6.566 3.143 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -6.359 -5.096 5.232 1.00 0.00 H new ATOM 100 N TYR A 7 -9.245 -2.297 -0.048 1.00 0.00 N ATOM 101 CA TYR A 7 -8.335 -2.344 -1.238 1.00 0.00 C ATOM 102 C TYR A 7 -7.493 -1.071 -1.298 1.00 0.00 C ATOM 103 O TYR A 7 -6.293 -1.121 -1.487 1.00 0.00 O ATOM 104 CB TYR A 7 -9.253 -2.445 -2.462 1.00 0.00 C ATOM 105 CG TYR A 7 -10.002 -3.758 -2.435 1.00 0.00 C ATOM 106 CD1 TYR A 7 -9.331 -4.955 -2.714 1.00 0.00 C ATOM 107 CD2 TYR A 7 -11.368 -3.776 -2.129 1.00 0.00 C ATOM 108 CE1 TYR A 7 -10.028 -6.169 -2.686 1.00 0.00 C ATOM 109 CE2 TYR A 7 -12.064 -4.989 -2.101 1.00 0.00 C ATOM 110 CZ TYR A 7 -11.394 -6.186 -2.380 1.00 0.00 C ATOM 111 OH TYR A 7 -12.080 -7.382 -2.351 1.00 0.00 O ATOM 0 H TYR A 7 -10.242 -2.298 -0.265 1.00 0.00 H new ATOM 0 HA TYR A 7 -7.645 -3.186 -1.192 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -9.958 -1.614 -2.468 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -8.664 -2.371 -3.376 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -8.277 -4.942 -2.950 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -11.885 -2.852 -1.914 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -9.512 -7.093 -2.901 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -13.118 -5.002 -1.864 1.00 0.00 H new ATOM 0 HH TYR A 7 -13.018 -7.216 -2.121 1.00 0.00 H new ATOM 121 N VAL A 8 -8.111 0.067 -1.116 1.00 0.00 N ATOM 122 CA VAL A 8 -7.345 1.351 -1.135 1.00 0.00 C ATOM 123 C VAL A 8 -6.369 1.391 0.052 1.00 0.00 C ATOM 124 O VAL A 8 -5.345 2.043 0.003 1.00 0.00 O ATOM 125 CB VAL A 8 -8.400 2.465 -1.025 1.00 0.00 C ATOM 126 CG1 VAL A 8 -9.027 2.464 0.374 1.00 0.00 C ATOM 127 CG2 VAL A 8 -7.738 3.821 -1.282 1.00 0.00 C ATOM 0 H VAL A 8 -9.114 0.164 -0.955 1.00 0.00 H new ATOM 0 HA VAL A 8 -6.749 1.466 -2.041 1.00 0.00 H new ATOM 0 HB VAL A 8 -9.180 2.288 -1.765 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -9.772 3.257 0.439 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -9.504 1.501 0.558 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -8.251 2.633 1.121 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -8.485 4.611 -1.204 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -6.954 3.989 -0.544 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -7.303 3.830 -2.281 1.00 0.00 H new ATOM 137 N LEU A 9 -6.681 0.681 1.108 1.00 0.00 N ATOM 138 CA LEU A 9 -5.781 0.652 2.299 1.00 0.00 C ATOM 139 C LEU A 9 -4.678 -0.395 2.098 1.00 0.00 C ATOM 140 O LEU A 9 -3.541 -0.184 2.476 1.00 0.00 O ATOM 141 CB LEU A 9 -6.687 0.262 3.472 1.00 0.00 C ATOM 142 CG LEU A 9 -6.194 0.943 4.752 1.00 0.00 C ATOM 143 CD1 LEU A 9 -6.940 2.263 4.950 1.00 0.00 C ATOM 144 CD2 LEU A 9 -6.455 0.025 5.950 1.00 0.00 C ATOM 0 H LEU A 9 -7.526 0.117 1.195 1.00 0.00 H new ATOM 0 HA LEU A 9 -5.286 1.608 2.469 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -7.715 0.558 3.264 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -6.686 -0.820 3.601 1.00 0.00 H new ATOM 0 HG LEU A 9 -5.125 1.140 4.669 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -6.588 2.747 5.861 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -6.755 2.917 4.098 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -8.009 2.068 5.032 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -6.105 0.508 6.862 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -7.524 -0.172 6.031 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.922 -0.916 5.810 1.00 0.00 H new ATOM 156 N LYS A 10 -5.004 -1.519 1.502 1.00 0.00 N ATOM 157 CA LYS A 10 -3.971 -2.578 1.275 1.00 0.00 C ATOM 158 C LYS A 10 -3.024 -2.164 0.143 1.00 0.00 C ATOM 159 O LYS A 10 -1.826 -2.366 0.226 1.00 0.00 O ATOM 160 CB LYS A 10 -4.755 -3.838 0.889 1.00 0.00 C ATOM 161 CG LYS A 10 -4.053 -5.077 1.458 1.00 0.00 C ATOM 162 CD LYS A 10 -3.046 -5.618 0.438 1.00 0.00 C ATOM 163 CE LYS A 10 -2.012 -6.495 1.152 1.00 0.00 C ATOM 164 NZ LYS A 10 -1.540 -7.468 0.124 1.00 0.00 N ATOM 0 H LYS A 10 -5.939 -1.747 1.164 1.00 0.00 H new ATOM 0 HA LYS A 10 -3.355 -2.742 2.159 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -5.773 -3.776 1.273 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -4.827 -3.915 -0.196 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -3.542 -4.822 2.387 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -4.789 -5.845 1.699 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -3.563 -6.197 -0.327 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -2.548 -4.792 -0.070 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -1.186 -5.896 1.534 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -2.455 -7.009 2.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -0.829 -8.100 0.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -2.345 -8.031 -0.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -1.116 -6.952 -0.673 1.00 0.00 H new ATOM 178 N PHE A 11 -3.547 -1.587 -0.914 1.00 0.00 N ATOM 179 CA PHE A 11 -2.672 -1.161 -2.053 1.00 0.00 C ATOM 180 C PHE A 11 -1.671 -0.096 -1.586 1.00 0.00 C ATOM 181 O PHE A 11 -0.503 -0.148 -1.920 1.00 0.00 O ATOM 182 CB PHE A 11 -3.630 -0.583 -3.101 1.00 0.00 C ATOM 183 CG PHE A 11 -2.840 0.000 -4.251 1.00 0.00 C ATOM 184 CD1 PHE A 11 -2.113 -0.842 -5.101 1.00 0.00 C ATOM 185 CD2 PHE A 11 -2.833 1.384 -4.466 1.00 0.00 C ATOM 186 CE1 PHE A 11 -1.380 -0.302 -6.164 1.00 0.00 C ATOM 187 CE2 PHE A 11 -2.101 1.924 -5.530 1.00 0.00 C ATOM 188 CZ PHE A 11 -1.374 1.081 -6.379 1.00 0.00 C ATOM 0 H PHE A 11 -4.541 -1.393 -1.037 1.00 0.00 H new ATOM 0 HA PHE A 11 -2.087 -1.989 -2.454 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -4.298 -1.363 -3.465 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -4.255 0.187 -2.650 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -2.118 -1.909 -4.936 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -3.393 2.035 -3.811 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -0.819 -0.953 -6.818 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -2.097 2.991 -5.696 1.00 0.00 H new ATOM 0 HZ PHE A 11 -0.809 1.498 -7.200 1.00 0.00 H new ATOM 198 N PHE A 12 -2.119 0.864 -0.813 1.00 0.00 N ATOM 199 CA PHE A 12 -1.191 1.931 -0.320 1.00 0.00 C ATOM 200 C PHE A 12 -0.120 1.319 0.590 1.00 0.00 C ATOM 201 O PHE A 12 1.043 1.661 0.503 1.00 0.00 O ATOM 202 CB PHE A 12 -2.075 2.908 0.463 1.00 0.00 C ATOM 203 CG PHE A 12 -2.562 4.003 -0.459 1.00 0.00 C ATOM 204 CD1 PHE A 12 -3.401 3.692 -1.537 1.00 0.00 C ATOM 205 CD2 PHE A 12 -2.173 5.329 -0.236 1.00 0.00 C ATOM 206 CE1 PHE A 12 -3.850 4.706 -2.391 1.00 0.00 C ATOM 207 CE2 PHE A 12 -2.623 6.344 -1.090 1.00 0.00 C ATOM 208 CZ PHE A 12 -3.461 6.032 -2.167 1.00 0.00 C ATOM 0 H PHE A 12 -3.086 0.955 -0.502 1.00 0.00 H new ATOM 0 HA PHE A 12 -0.667 2.430 -1.136 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -2.924 2.379 0.896 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -1.513 3.339 1.291 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -3.702 2.669 -1.709 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -1.526 5.570 0.595 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -4.496 4.466 -3.222 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -2.323 7.367 -0.918 1.00 0.00 H new ATOM 0 HZ PHE A 12 -3.808 6.815 -2.825 1.00 0.00 H new ATOM 218 N LEU A 13 -0.504 0.410 1.453 1.00 0.00 N ATOM 219 CA LEU A 13 0.493 -0.236 2.363 1.00 0.00 C ATOM 220 C LEU A 13 1.522 -1.033 1.547 1.00 0.00 C ATOM 221 O LEU A 13 2.682 -1.108 1.904 1.00 0.00 O ATOM 222 CB LEU A 13 -0.325 -1.172 3.258 1.00 0.00 C ATOM 223 CG LEU A 13 0.438 -1.436 4.558 1.00 0.00 C ATOM 224 CD1 LEU A 13 0.076 -0.367 5.592 1.00 0.00 C ATOM 225 CD2 LEU A 13 0.059 -2.816 5.101 1.00 0.00 C ATOM 0 H LEU A 13 -1.465 0.087 1.567 1.00 0.00 H new ATOM 0 HA LEU A 13 1.050 0.497 2.946 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -1.295 -0.726 3.478 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -0.517 -2.112 2.740 1.00 0.00 H new ATOM 0 HG LEU A 13 1.510 -1.403 4.361 1.00 0.00 H new ATOM 0 HD11 LEU A 13 0.620 -0.557 6.517 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.345 0.617 5.208 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -0.996 -0.399 5.788 1.00 0.00 H new ATOM 0 HD21 LEU A 13 0.602 -3.004 6.027 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -1.013 -2.848 5.296 1.00 0.00 H new ATOM 0 HD23 LEU A 13 0.317 -3.579 4.367 1.00 0.00 H new ATOM 237 N LEU A 14 1.103 -1.623 0.451 1.00 0.00 N ATOM 238 CA LEU A 14 2.053 -2.410 -0.394 1.00 0.00 C ATOM 239 C LEU A 14 3.032 -1.471 -1.105 1.00 0.00 C ATOM 240 O LEU A 14 4.228 -1.696 -1.112 1.00 0.00 O ATOM 241 CB LEU A 14 1.172 -3.144 -1.413 1.00 0.00 C ATOM 242 CG LEU A 14 1.926 -4.358 -1.961 1.00 0.00 C ATOM 243 CD1 LEU A 14 1.995 -5.449 -0.890 1.00 0.00 C ATOM 244 CD2 LEU A 14 1.194 -4.898 -3.191 1.00 0.00 C ATOM 0 H LEU A 14 0.143 -1.592 0.107 1.00 0.00 H new ATOM 0 HA LEU A 14 2.651 -3.103 0.197 1.00 0.00 H new ATOM 0 HB2 LEU A 14 0.242 -3.463 -0.942 1.00 0.00 H new ATOM 0 HB3 LEU A 14 0.903 -2.472 -2.228 1.00 0.00 H new ATOM 0 HG LEU A 14 2.937 -4.060 -2.238 1.00 0.00 H new ATOM 0 HD11 LEU A 14 2.532 -6.312 -1.284 1.00 0.00 H new ATOM 0 HD12 LEU A 14 2.517 -5.066 -0.013 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.985 -5.748 -0.609 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.730 -5.763 -3.583 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.183 -5.194 -2.912 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.147 -4.123 -3.956 1.00 0.00 H new ATOM 256 N VAL A 15 2.529 -0.417 -1.694 1.00 0.00 N ATOM 257 CA VAL A 15 3.421 0.554 -2.405 1.00 0.00 C ATOM 258 C VAL A 15 4.295 1.298 -1.385 1.00 0.00 C ATOM 259 O VAL A 15 5.493 1.422 -1.556 1.00 0.00 O ATOM 260 CB VAL A 15 2.475 1.524 -3.128 1.00 0.00 C ATOM 261 CG1 VAL A 15 3.286 2.638 -3.796 1.00 0.00 C ATOM 262 CG2 VAL A 15 1.682 0.766 -4.199 1.00 0.00 C ATOM 0 H VAL A 15 1.536 -0.184 -1.715 1.00 0.00 H new ATOM 0 HA VAL A 15 4.095 0.063 -3.106 1.00 0.00 H new ATOM 0 HB VAL A 15 1.788 1.960 -2.402 1.00 0.00 H new ATOM 0 HG11 VAL A 15 2.610 3.323 -4.308 1.00 0.00 H new ATOM 0 HG12 VAL A 15 3.850 3.182 -3.038 1.00 0.00 H new ATOM 0 HG13 VAL A 15 3.976 2.202 -4.518 1.00 0.00 H new ATOM 0 HG21 VAL A 15 1.011 1.456 -4.711 1.00 0.00 H new ATOM 0 HG22 VAL A 15 2.372 0.328 -4.920 1.00 0.00 H new ATOM 0 HG23 VAL A 15 1.099 -0.025 -3.728 1.00 0.00 H new ATOM 272 N PHE A 16 3.702 1.782 -0.319 1.00 0.00 N ATOM 273 CA PHE A 16 4.495 2.505 0.722 1.00 0.00 C ATOM 274 C PHE A 16 5.487 1.540 1.384 1.00 0.00 C ATOM 275 O PHE A 16 6.607 1.904 1.689 1.00 0.00 O ATOM 276 CB PHE A 16 3.466 3.008 1.740 1.00 0.00 C ATOM 277 CG PHE A 16 4.046 4.166 2.518 1.00 0.00 C ATOM 278 CD1 PHE A 16 3.981 5.463 1.995 1.00 0.00 C ATOM 279 CD2 PHE A 16 4.648 3.942 3.762 1.00 0.00 C ATOM 280 CE1 PHE A 16 4.517 6.537 2.717 1.00 0.00 C ATOM 281 CE2 PHE A 16 5.185 5.015 4.483 1.00 0.00 C ATOM 282 CZ PHE A 16 5.120 6.313 3.960 1.00 0.00 C ATOM 0 H PHE A 16 2.703 1.707 -0.126 1.00 0.00 H new ATOM 0 HA PHE A 16 5.077 3.326 0.304 1.00 0.00 H new ATOM 0 HB2 PHE A 16 2.556 3.320 1.228 1.00 0.00 H new ATOM 0 HB3 PHE A 16 3.189 2.203 2.420 1.00 0.00 H new ATOM 0 HD1 PHE A 16 3.518 5.635 1.035 1.00 0.00 H new ATOM 0 HD2 PHE A 16 4.698 2.941 4.165 1.00 0.00 H new ATOM 0 HE1 PHE A 16 4.465 7.538 2.315 1.00 0.00 H new ATOM 0 HE2 PHE A 16 5.649 4.842 5.443 1.00 0.00 H new ATOM 0 HZ PHE A 16 5.535 7.141 4.516 1.00 0.00 H new ATOM 292 N GLY A 17 5.084 0.308 1.597 1.00 0.00 N ATOM 293 CA GLY A 17 5.998 -0.691 2.226 1.00 0.00 C ATOM 294 C GLY A 17 7.206 -0.928 1.313 1.00 0.00 C ATOM 295 O GLY A 17 8.328 -1.001 1.770 1.00 0.00 O ATOM 0 H GLY A 17 4.157 -0.046 1.360 1.00 0.00 H new ATOM 0 HA2 GLY A 17 6.330 -0.332 3.200 1.00 0.00 H new ATOM 0 HA3 GLY A 17 5.468 -1.628 2.395 1.00 0.00 H new ATOM 299 N GLU A 18 6.985 -1.041 0.026 1.00 0.00 N ATOM 300 CA GLU A 18 8.127 -1.265 -0.918 1.00 0.00 C ATOM 301 C GLU A 18 9.107 -0.087 -0.866 1.00 0.00 C ATOM 302 O GLU A 18 10.303 -0.257 -0.995 1.00 0.00 O ATOM 303 CB GLU A 18 7.481 -1.370 -2.306 1.00 0.00 C ATOM 304 CG GLU A 18 8.391 -2.168 -3.246 1.00 0.00 C ATOM 305 CD GLU A 18 8.008 -3.651 -3.199 1.00 0.00 C ATOM 306 OE1 GLU A 18 8.296 -4.286 -2.198 1.00 0.00 O ATOM 307 OE2 GLU A 18 7.434 -4.124 -4.165 1.00 0.00 O ATOM 0 H GLU A 18 6.065 -0.988 -0.412 1.00 0.00 H new ATOM 0 HA GLU A 18 8.699 -2.158 -0.665 1.00 0.00 H new ATOM 0 HB2 GLU A 18 6.508 -1.856 -2.228 1.00 0.00 H new ATOM 0 HB3 GLU A 18 7.308 -0.374 -2.712 1.00 0.00 H new ATOM 0 HG2 GLU A 18 8.299 -1.791 -4.264 1.00 0.00 H new ATOM 0 HG3 GLU A 18 9.433 -2.042 -2.953 1.00 0.00 H new ATOM 314 N ASN A 19 8.606 1.103 -0.673 1.00 0.00 N ATOM 315 CA ASN A 19 9.501 2.301 -0.608 1.00 0.00 C ATOM 316 C ASN A 19 10.343 2.300 0.678 1.00 0.00 C ATOM 317 O ASN A 19 11.328 3.004 0.774 1.00 0.00 O ATOM 318 CB ASN A 19 8.559 3.509 -0.624 1.00 0.00 C ATOM 319 CG ASN A 19 8.029 3.736 -2.043 1.00 0.00 C ATOM 320 OD1 ASN A 19 8.776 3.683 -3.001 1.00 0.00 O ATOM 321 ND2 ASN A 19 6.763 3.992 -2.221 1.00 0.00 N ATOM 0 H ASN A 19 7.612 1.301 -0.557 1.00 0.00 H new ATOM 0 HA ASN A 19 10.207 2.314 -1.439 1.00 0.00 H new ATOM 0 HB2 ASN A 19 7.728 3.343 0.062 1.00 0.00 H new ATOM 0 HB3 ASN A 19 9.086 4.397 -0.277 1.00 0.00 H new ATOM 0 HD21 ASN A 19 6.401 4.147 -3.162 1.00 0.00 H new ATOM 0 HD22 ASN A 19 6.134 4.037 -1.419 1.00 0.00 H new ATOM 328 N GLY A 20 9.958 1.530 1.667 1.00 0.00 N ATOM 329 CA GLY A 20 10.733 1.507 2.946 1.00 0.00 C ATOM 330 C GLY A 20 11.386 0.135 3.179 1.00 0.00 C ATOM 331 O GLY A 20 12.407 0.043 3.831 1.00 0.00 O ATOM 0 H GLY A 20 9.142 0.918 1.644 1.00 0.00 H new ATOM 0 HA2 GLY A 20 11.502 2.279 2.921 1.00 0.00 H new ATOM 0 HA3 GLY A 20 10.071 1.743 3.779 1.00 0.00 H new