USER MOD reduce.3.24.130724 H: found=0, std=0, add=271, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 274 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 NoAdj-H: X 341 HIS HE2 : X 341 HIS NE2 : X 401 ZNZN :(H bumps) USER MOD Single : X 312 ASN :FLIP amide:sc= 0.769 F(o=-0.075,f=0.77) USER MOD Single : X 313 ASN : amide:sc= 0.168 K(o=0.17,f=-0.41) USER MOD Single : X 314 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0568) USER MOD Single : X 315 TYR OH : rot 180:sc= 0 USER MOD Single : X 316 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0161) USER MOD Single : X 317 THR OG1 : rot -111:sc= 0.451 USER MOD Single : X 318 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 321 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 322 ASN : amide:sc= 0.0807 K(o=0.081,f=-1.4) USER MOD Single : X 328 THR OG1 : rot 180:sc= 0.0523 USER MOD Single : X 333 TYR OH : rot 180:sc= 0 USER MOD Single : X 343 THR OG1 : rot -122:sc= 0.244 USER MOD Single : X 345 LYS NZ :NH3+ -120:sc= 0.255 (180deg=0.232) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN X 312 -11.994 12.080 -3.831 1.00 1.00 N ATOM 2 CA ASN X 312 -11.858 11.000 -4.840 1.00 64.21 C ATOM 3 C ASN X 312 -10.383 10.833 -5.227 1.00 74.42 C ATOM 4 O ASN X 312 -9.892 11.479 -6.155 1.00 42.43 O ATOM 5 CB ASN X 312 -12.740 11.288 -6.093 1.00 54.43 C ATOM 6 CG ASN X 312 -14.249 11.311 -5.794 1.00 42.31 C ATOM 7 OD1 ASN X 312 -15.062 10.955 -6.782 1.00 43.02 O flip ATOM 8 ND2 ASN X 312 -14.678 11.663 -4.694 1.00 34.14 N flip ATOM 0 HA ASN X 312 -12.212 10.066 -4.403 1.00 64.21 H new ATOM 0 HB2 ASN X 312 -12.448 12.248 -6.519 1.00 54.43 H new ATOM 0 HB3 ASN X 312 -12.540 10.529 -6.850 1.00 54.43 H new ATOM 0 HD21 ASN X 312 -14.028 11.931 -3.955 1.00 34.14 H new ATOM 0 HD22 ASN X 312 -15.683 11.687 -4.522 1.00 34.14 H new ATOM 17 N ASN X 313 -9.667 9.991 -4.471 1.00 33.23 N ATOM 18 CA ASN X 313 -8.224 9.775 -4.665 1.00 12.10 C ATOM 19 C ASN X 313 -7.976 8.394 -5.283 1.00 40.55 C ATOM 20 O ASN X 313 -8.207 7.364 -4.640 1.00 4.22 O ATOM 21 CB ASN X 313 -7.462 9.922 -3.316 1.00 0.42 C ATOM 22 CG ASN X 313 -7.556 11.328 -2.700 1.00 42.34 C ATOM 23 OD1 ASN X 313 -7.653 12.326 -3.412 1.00 25.13 O ATOM 24 ND2 ASN X 313 -7.534 11.409 -1.373 1.00 41.52 N ATOM 0 H ASN X 313 -10.068 9.442 -3.711 1.00 33.23 H new ATOM 0 HA ASN X 313 -7.846 10.534 -5.350 1.00 12.10 H new ATOM 0 HB2 ASN X 313 -7.858 9.197 -2.605 1.00 0.42 H new ATOM 0 HB3 ASN X 313 -6.412 9.674 -3.473 1.00 0.42 H new ATOM 0 HD21 ASN X 313 -7.599 12.319 -0.916 1.00 41.52 H new ATOM 0 HD22 ASN X 313 -7.453 10.561 -0.812 1.00 41.52 H new ATOM 31 N LYS X 314 -7.535 8.382 -6.546 1.00 20.43 N ATOM 32 CA LYS X 314 -7.047 7.166 -7.224 1.00 31.13 C ATOM 33 C LYS X 314 -5.531 7.338 -7.510 1.00 41.12 C ATOM 34 O LYS X 314 -4.932 6.596 -8.296 1.00 43.13 O ATOM 35 CB LYS X 314 -7.866 6.946 -8.532 1.00 43.21 C ATOM 36 CG LYS X 314 -7.735 5.549 -9.179 1.00 73.52 C ATOM 37 CD LYS X 314 -8.268 4.428 -8.261 1.00 71.11 C ATOM 38 CE LYS X 314 -8.193 3.035 -8.910 1.00 44.23 C ATOM 39 NZ LYS X 314 -9.028 2.930 -10.146 1.00 52.23 N ATOM 0 H LYS X 314 -7.505 9.216 -7.132 1.00 20.43 H new ATOM 0 HA LYS X 314 -7.181 6.284 -6.598 1.00 31.13 H new ATOM 0 HB2 LYS X 314 -8.918 7.128 -8.314 1.00 43.21 H new ATOM 0 HB3 LYS X 314 -7.557 7.694 -9.262 1.00 43.21 H new ATOM 0 HG2 LYS X 314 -8.282 5.535 -10.122 1.00 73.52 H new ATOM 0 HG3 LYS X 314 -6.688 5.356 -9.414 1.00 73.52 H new ATOM 0 HD2 LYS X 314 -7.696 4.422 -7.333 1.00 71.11 H new ATOM 0 HD3 LYS X 314 -9.303 4.644 -7.996 1.00 71.11 H new ATOM 0 HE2 LYS X 314 -7.156 2.809 -9.157 1.00 44.23 H new ATOM 0 HE3 LYS X 314 -8.520 2.285 -8.190 1.00 44.23 H new ATOM 0 HZ1 LYS X 314 -9.037 1.944 -10.476 1.00 52.23 H new ATOM 0 HZ2 LYS X 314 -10.000 3.233 -9.935 1.00 52.23 H new ATOM 0 HZ3 LYS X 314 -8.628 3.540 -10.888 1.00 52.23 H new ATOM 53 N TYR X 315 -4.922 8.314 -6.812 1.00 31.10 N ATOM 54 CA TYR X 315 -3.537 8.750 -7.040 1.00 5.35 C ATOM 55 C TYR X 315 -2.548 7.781 -6.391 1.00 62.23 C ATOM 56 O TYR X 315 -1.655 7.250 -7.058 1.00 13.32 O ATOM 57 CB TYR X 315 -3.347 10.187 -6.486 1.00 64.44 C ATOM 58 CG TYR X 315 -4.312 11.210 -7.088 1.00 72.11 C ATOM 59 CD1 TYR X 315 -5.386 11.727 -6.354 1.00 25.14 C ATOM 60 CD2 TYR X 315 -4.158 11.641 -8.408 1.00 53.01 C ATOM 61 CE1 TYR X 315 -6.262 12.632 -6.910 1.00 20.13 C ATOM 62 CE2 TYR X 315 -5.030 12.550 -8.970 1.00 11.02 C ATOM 63 CZ TYR X 315 -6.079 13.045 -8.220 1.00 5.22 C ATOM 64 OH TYR X 315 -6.957 13.950 -8.781 1.00 32.41 O ATOM 0 H TYR X 315 -5.387 8.828 -6.064 1.00 31.10 H new ATOM 0 HA TYR X 315 -3.339 8.755 -8.112 1.00 5.35 H new ATOM 0 HB2 TYR X 315 -3.478 10.170 -5.404 1.00 64.44 H new ATOM 0 HB3 TYR X 315 -2.324 10.509 -6.678 1.00 64.44 H new ATOM 0 HD1 TYR X 315 -5.530 11.410 -5.332 1.00 25.14 H new ATOM 0 HD2 TYR X 315 -3.341 11.255 -8.999 1.00 53.01 H new ATOM 0 HE1 TYR X 315 -7.087 13.018 -6.329 1.00 20.13 H new ATOM 0 HE2 TYR X 315 -4.893 12.873 -9.991 1.00 11.02 H new ATOM 0 HH TYR X 315 -6.689 14.137 -9.705 1.00 32.41 H new ATOM 74 N LYS X 316 -2.728 7.548 -5.085 1.00 35.34 N ATOM 75 CA LYS X 316 -1.897 6.623 -4.309 1.00 24.30 C ATOM 76 C LYS X 316 -2.471 5.200 -4.433 1.00 43.02 C ATOM 77 O LYS X 316 -3.260 4.750 -3.594 1.00 42.31 O ATOM 78 CB LYS X 316 -1.815 7.088 -2.829 1.00 31.35 C ATOM 79 CG LYS X 316 -1.163 8.474 -2.626 1.00 15.11 C ATOM 80 CD LYS X 316 -1.042 8.855 -1.136 1.00 20.35 C ATOM 81 CE LYS X 316 -0.510 10.281 -0.922 1.00 33.32 C ATOM 82 NZ LYS X 316 0.832 10.488 -1.536 1.00 41.41 N ATOM 0 H LYS X 316 -3.459 7.999 -4.535 1.00 35.34 H new ATOM 0 HA LYS X 316 -0.880 6.616 -4.702 1.00 24.30 H new ATOM 0 HB2 LYS X 316 -2.822 7.110 -2.412 1.00 31.35 H new ATOM 0 HB3 LYS X 316 -1.251 6.349 -2.260 1.00 31.35 H new ATOM 0 HG2 LYS X 316 -0.172 8.476 -3.080 1.00 15.11 H new ATOM 0 HG3 LYS X 316 -1.753 9.230 -3.145 1.00 15.11 H new ATOM 0 HD2 LYS X 316 -2.020 8.763 -0.663 1.00 20.35 H new ATOM 0 HD3 LYS X 316 -0.379 8.147 -0.638 1.00 20.35 H new ATOM 0 HE2 LYS X 316 -1.215 10.996 -1.347 1.00 33.32 H new ATOM 0 HE3 LYS X 316 -0.453 10.487 0.147 1.00 33.32 H new ATOM 0 HZ1 LYS X 316 1.168 11.448 -1.320 1.00 41.41 H new ATOM 0 HZ2 LYS X 316 1.501 9.792 -1.150 1.00 41.41 H new ATOM 0 HZ3 LYS X 316 0.764 10.368 -2.567 1.00 41.41 H new ATOM 96 N THR X 317 -2.113 4.521 -5.538 1.00 5.34 N ATOM 97 CA THR X 317 -2.580 3.154 -5.848 1.00 22.44 C ATOM 98 C THR X 317 -1.419 2.259 -6.327 1.00 51.32 C ATOM 99 O THR X 317 -1.657 1.158 -6.847 1.00 34.34 O ATOM 100 CB THR X 317 -3.722 3.188 -6.922 1.00 52.33 C ATOM 101 OG1 THR X 317 -3.344 4.068 -7.996 1.00 1.11 O ATOM 102 CG2 THR X 317 -5.067 3.646 -6.335 1.00 53.43 C ATOM 0 H THR X 317 -1.488 4.906 -6.246 1.00 5.34 H new ATOM 0 HA THR X 317 -2.979 2.725 -4.929 1.00 22.44 H new ATOM 0 HB THR X 317 -3.855 2.170 -7.289 1.00 52.33 H new ATOM 0 HG1 THR X 317 -3.919 4.862 -7.986 1.00 1.11 H new ATOM 0 HG21 THR X 317 -5.823 3.652 -7.120 1.00 53.43 H new ATOM 0 HG22 THR X 317 -5.371 2.961 -5.544 1.00 53.43 H new ATOM 0 HG23 THR X 317 -4.962 4.650 -5.925 1.00 53.43 H new ATOM 110 N LYS X 318 -0.160 2.736 -6.150 1.00 52.32 N ATOM 111 CA LYS X 318 1.035 1.893 -6.346 1.00 14.22 C ATOM 112 C LYS X 318 1.092 0.874 -5.197 1.00 61.43 C ATOM 113 O LYS X 318 1.729 1.123 -4.160 1.00 74.12 O ATOM 114 CB LYS X 318 2.340 2.743 -6.410 1.00 43.24 C ATOM 115 CG LYS X 318 2.444 3.637 -7.663 1.00 51.23 C ATOM 116 CD LYS X 318 3.740 4.477 -7.726 1.00 33.32 C ATOM 117 CE LYS X 318 3.846 5.496 -6.586 1.00 45.52 C ATOM 118 NZ LYS X 318 5.017 6.400 -6.728 1.00 3.40 N ATOM 0 H LYS X 318 0.047 3.696 -5.873 1.00 52.32 H new ATOM 0 HA LYS X 318 0.962 1.376 -7.303 1.00 14.22 H new ATOM 0 HB2 LYS X 318 2.396 3.372 -5.522 1.00 43.24 H new ATOM 0 HB3 LYS X 318 3.200 2.073 -6.381 1.00 43.24 H new ATOM 0 HG2 LYS X 318 2.386 3.009 -8.552 1.00 51.23 H new ATOM 0 HG3 LYS X 318 1.586 4.308 -7.691 1.00 51.23 H new ATOM 0 HD2 LYS X 318 4.601 3.810 -7.692 1.00 33.32 H new ATOM 0 HD3 LYS X 318 3.781 5.002 -8.681 1.00 33.32 H new ATOM 0 HE2 LYS X 318 2.934 6.093 -6.552 1.00 45.52 H new ATOM 0 HE3 LYS X 318 3.915 4.966 -5.636 1.00 45.52 H new ATOM 0 HZ1 LYS X 318 5.039 7.067 -5.931 1.00 3.40 H new ATOM 0 HZ2 LYS X 318 5.892 5.837 -6.733 1.00 3.40 H new ATOM 0 HZ3 LYS X 318 4.941 6.929 -7.620 1.00 3.40 H new ATOM 132 N LEU X 319 0.345 -0.229 -5.381 1.00 52.45 N ATOM 133 CA LEU X 319 0.145 -1.250 -4.349 1.00 44.11 C ATOM 134 C LEU X 319 1.448 -2.005 -4.059 1.00 64.21 C ATOM 135 O LEU X 319 2.300 -2.165 -4.942 1.00 54.01 O ATOM 136 CB LEU X 319 -0.998 -2.251 -4.733 1.00 33.14 C ATOM 137 CG LEU X 319 -0.693 -3.311 -5.848 1.00 54.15 C ATOM 138 CD1 LEU X 319 -1.738 -4.438 -5.848 1.00 23.12 C ATOM 139 CD2 LEU X 319 -0.597 -2.661 -7.247 1.00 12.40 C ATOM 0 H LEU X 319 -0.137 -0.434 -6.256 1.00 52.45 H new ATOM 0 HA LEU X 319 -0.162 -0.731 -3.441 1.00 44.11 H new ATOM 0 HB2 LEU X 319 -1.291 -2.788 -3.831 1.00 33.14 H new ATOM 0 HB3 LEU X 319 -1.862 -1.668 -5.052 1.00 33.14 H new ATOM 0 HG LEU X 319 0.279 -3.746 -5.616 1.00 54.15 H new ATOM 0 HD11 LEU X 319 -1.498 -5.156 -6.632 1.00 23.12 H new ATOM 0 HD12 LEU X 319 -1.731 -4.941 -4.881 1.00 23.12 H new ATOM 0 HD13 LEU X 319 -2.727 -4.017 -6.031 1.00 23.12 H new ATOM 0 HD21 LEU X 319 -0.385 -3.429 -7.991 1.00 12.40 H new ATOM 0 HD22 LEU X 319 -1.542 -2.174 -7.488 1.00 12.40 H new ATOM 0 HD23 LEU X 319 0.204 -1.921 -7.250 1.00 12.40 H new ATOM 151 N CYS X 320 1.590 -2.442 -2.807 1.00 74.44 N ATOM 152 CA CYS X 320 2.721 -3.245 -2.368 1.00 41.43 C ATOM 153 C CYS X 320 2.605 -4.662 -2.931 1.00 0.10 C ATOM 154 O CYS X 320 1.563 -5.304 -2.763 1.00 21.21 O ATOM 155 CB CYS X 320 2.764 -3.285 -0.832 1.00 22.52 C ATOM 156 SG CYS X 320 2.893 -1.636 -0.076 1.00 60.24 S ATOM 0 H CYS X 320 0.916 -2.245 -2.067 1.00 74.44 H new ATOM 0 HA CYS X 320 3.644 -2.797 -2.736 1.00 41.43 H new ATOM 0 HB2 CYS X 320 1.865 -3.778 -0.462 1.00 22.52 H new ATOM 0 HB3 CYS X 320 3.613 -3.891 -0.514 1.00 22.52 H new ATOM 161 N LYS X 321 3.667 -5.127 -3.610 1.00 61.45 N ATOM 162 CA LYS X 321 3.784 -6.530 -4.054 1.00 24.43 C ATOM 163 C LYS X 321 3.900 -7.472 -2.835 1.00 24.32 C ATOM 164 O LYS X 321 3.632 -8.683 -2.936 1.00 2.01 O ATOM 165 CB LYS X 321 5.006 -6.706 -4.992 1.00 22.41 C ATOM 166 CG LYS X 321 6.373 -6.310 -4.368 1.00 32.21 C ATOM 167 CD LYS X 321 7.567 -6.776 -5.225 1.00 24.21 C ATOM 168 CE LYS X 321 7.657 -8.313 -5.315 1.00 14.43 C ATOM 169 NZ LYS X 321 8.801 -8.764 -6.148 1.00 2.03 N ATOM 0 H LYS X 321 4.465 -4.546 -3.866 1.00 61.45 H new ATOM 0 HA LYS X 321 2.884 -6.791 -4.611 1.00 24.43 H new ATOM 0 HB2 LYS X 321 5.056 -7.748 -5.308 1.00 22.41 H new ATOM 0 HB3 LYS X 321 4.846 -6.108 -5.889 1.00 22.41 H new ATOM 0 HG2 LYS X 321 6.415 -5.227 -4.249 1.00 32.21 H new ATOM 0 HG3 LYS X 321 6.454 -6.743 -3.371 1.00 32.21 H new ATOM 0 HD2 LYS X 321 7.476 -6.360 -6.228 1.00 24.21 H new ATOM 0 HD3 LYS X 321 8.491 -6.384 -4.800 1.00 24.21 H new ATOM 0 HE2 LYS X 321 7.755 -8.728 -4.312 1.00 14.43 H new ATOM 0 HE3 LYS X 321 6.730 -8.705 -5.733 1.00 14.43 H new ATOM 0 HZ1 LYS X 321 8.820 -9.803 -6.178 1.00 2.03 H new ATOM 0 HZ2 LYS X 321 8.696 -8.391 -7.113 1.00 2.03 H new ATOM 0 HZ3 LYS X 321 9.690 -8.414 -5.736 1.00 2.03 H new ATOM 183 N ASN X 322 4.314 -6.885 -1.697 1.00 11.13 N ATOM 184 CA ASN X 322 4.319 -7.532 -0.381 1.00 33.21 C ATOM 185 C ASN X 322 2.891 -7.990 -0.027 1.00 23.53 C ATOM 186 O ASN X 322 2.667 -9.148 0.296 1.00 54.12 O ATOM 187 CB ASN X 322 4.806 -6.505 0.680 1.00 24.33 C ATOM 188 CG ASN X 322 6.190 -5.917 0.386 1.00 40.13 C ATOM 189 OD1 ASN X 322 6.341 -5.063 -0.498 1.00 62.33 O ATOM 190 ND2 ASN X 322 7.192 -6.321 1.146 1.00 42.42 N ATOM 0 H ASN X 322 4.661 -5.926 -1.671 1.00 11.13 H new ATOM 0 HA ASN X 322 4.982 -8.397 -0.397 1.00 33.21 H new ATOM 0 HB2 ASN X 322 4.083 -5.692 0.743 1.00 24.33 H new ATOM 0 HB3 ASN X 322 4.828 -6.989 1.656 1.00 24.33 H new ATOM 0 HD21 ASN X 322 8.124 -5.928 1.013 1.00 42.42 H new ATOM 0 HD22 ASN X 322 7.034 -7.026 1.866 1.00 42.42 H new ATOM 197 N PHE X 323 1.928 -7.067 -0.227 1.00 43.23 N ATOM 198 CA PHE X 323 0.498 -7.275 0.092 1.00 13.13 C ATOM 199 C PHE X 323 -0.246 -7.963 -1.070 1.00 11.23 C ATOM 200 O PHE X 323 -1.307 -8.556 -0.852 1.00 64.41 O ATOM 201 CB PHE X 323 -0.185 -5.923 0.447 1.00 2.41 C ATOM 202 CG PHE X 323 0.072 -5.416 1.870 1.00 22.32 C ATOM 203 CD1 PHE X 323 -0.978 -5.303 2.788 1.00 61.13 C ATOM 204 CD2 PHE X 323 1.352 -5.063 2.293 1.00 24.52 C ATOM 205 CE1 PHE X 323 -0.757 -4.855 4.071 1.00 34.41 C ATOM 206 CE2 PHE X 323 1.570 -4.616 3.580 1.00 0.24 C ATOM 207 CZ PHE X 323 0.516 -4.512 4.468 1.00 3.11 C ATOM 0 H PHE X 323 2.122 -6.146 -0.619 1.00 43.23 H new ATOM 0 HA PHE X 323 0.446 -7.934 0.959 1.00 13.13 H new ATOM 0 HB2 PHE X 323 0.156 -5.166 -0.259 1.00 2.41 H new ATOM 0 HB3 PHE X 323 -1.260 -6.029 0.305 1.00 2.41 H new ATOM 0 HD1 PHE X 323 -1.979 -5.572 2.485 1.00 61.13 H new ATOM 0 HD2 PHE X 323 2.182 -5.140 1.606 1.00 24.52 H new ATOM 0 HE1 PHE X 323 -1.581 -4.773 4.765 1.00 34.41 H new ATOM 0 HE2 PHE X 323 2.567 -4.347 3.895 1.00 0.24 H new ATOM 0 HZ PHE X 323 0.691 -4.161 5.474 1.00 3.11 H new ATOM 217 N ALA X 324 0.303 -7.859 -2.299 1.00 61.52 N ATOM 218 CA ALA X 324 -0.261 -8.535 -3.481 1.00 52.34 C ATOM 219 C ALA X 324 -0.143 -10.059 -3.328 1.00 3.52 C ATOM 220 O ALA X 324 0.823 -10.548 -2.714 1.00 41.33 O ATOM 221 CB ALA X 324 0.437 -8.053 -4.759 1.00 1.02 C ATOM 0 H ALA X 324 1.140 -7.310 -2.496 1.00 61.52 H new ATOM 0 HA ALA X 324 -1.318 -8.282 -3.560 1.00 52.34 H new ATOM 0 HB1 ALA X 324 0.008 -8.562 -5.622 1.00 1.02 H new ATOM 0 HB2 ALA X 324 0.297 -6.977 -4.866 1.00 1.02 H new ATOM 0 HB3 ALA X 324 1.502 -8.276 -4.698 1.00 1.02 H new ATOM 227 N ARG X 325 -1.131 -10.785 -3.889 1.00 62.31 N ATOM 228 CA ARG X 325 -1.271 -12.248 -3.739 1.00 51.02 C ATOM 229 C ARG X 325 0.010 -13.008 -4.171 1.00 40.43 C ATOM 230 O ARG X 325 0.537 -12.775 -5.257 1.00 11.44 O ATOM 231 CB ARG X 325 -2.511 -12.738 -4.532 1.00 60.22 C ATOM 232 CG ARG X 325 -2.461 -12.464 -6.061 1.00 41.54 C ATOM 233 CD ARG X 325 -3.663 -13.057 -6.813 1.00 5.13 C ATOM 234 NE ARG X 325 -3.795 -14.506 -6.555 1.00 72.25 N ATOM 235 CZ ARG X 325 -4.949 -15.183 -6.502 1.00 21.33 C ATOM 236 NH1 ARG X 325 -6.113 -14.571 -6.680 1.00 0.12 N ATOM 237 NH2 ARG X 325 -4.940 -16.475 -6.216 1.00 63.32 N ATOM 0 H ARG X 325 -1.862 -10.368 -4.465 1.00 62.31 H new ATOM 0 HA ARG X 325 -1.415 -12.467 -2.681 1.00 51.02 H new ATOM 0 HB2 ARG X 325 -2.625 -13.810 -4.373 1.00 60.22 H new ATOM 0 HB3 ARG X 325 -3.400 -12.259 -4.121 1.00 60.22 H new ATOM 0 HG2 ARG X 325 -2.427 -11.388 -6.232 1.00 41.54 H new ATOM 0 HG3 ARG X 325 -1.541 -12.881 -6.470 1.00 41.54 H new ATOM 0 HD2 ARG X 325 -4.575 -12.546 -6.506 1.00 5.13 H new ATOM 0 HD3 ARG X 325 -3.546 -12.885 -7.883 1.00 5.13 H new ATOM 0 HE ARG X 325 -2.936 -15.034 -6.405 1.00 72.25 H new ATOM 0 HH11 ARG X 325 -6.139 -13.568 -6.861 1.00 0.12 H new ATOM 0 HH12 ARG X 325 -6.981 -15.104 -6.636 1.00 0.12 H new ATOM 0 HH21 ARG X 325 -4.056 -16.952 -6.037 1.00 63.32 H new ATOM 0 HH22 ARG X 325 -5.817 -16.994 -6.175 1.00 63.32 H new ATOM 251 N GLY X 326 0.517 -13.884 -3.286 1.00 23.35 N ATOM 252 CA GLY X 326 1.787 -14.590 -3.505 1.00 31.14 C ATOM 253 C GLY X 326 2.911 -14.028 -2.642 1.00 25.12 C ATOM 254 O GLY X 326 3.926 -14.693 -2.430 1.00 22.34 O ATOM 0 H GLY X 326 0.060 -14.120 -2.405 1.00 23.35 H new ATOM 0 HA2 GLY X 326 1.655 -15.649 -3.284 1.00 31.14 H new ATOM 0 HA3 GLY X 326 2.066 -14.516 -4.556 1.00 31.14 H new ATOM 258 N GLY X 327 2.736 -12.780 -2.169 1.00 24.21 N ATOM 259 CA GLY X 327 3.652 -12.169 -1.204 1.00 41.21 C ATOM 260 C GLY X 327 3.382 -12.630 0.226 1.00 0.32 C ATOM 261 O GLY X 327 2.471 -13.424 0.467 1.00 73.31 O ATOM 0 H GLY X 327 1.962 -12.177 -2.445 1.00 24.21 H new ATOM 0 HA2 GLY X 327 4.679 -12.416 -1.475 1.00 41.21 H new ATOM 0 HA3 GLY X 327 3.560 -11.084 -1.257 1.00 41.21 H new ATOM 265 N THR X 328 4.163 -12.116 1.177 1.00 74.45 N ATOM 266 CA THR X 328 4.025 -12.444 2.613 1.00 52.02 C ATOM 267 C THR X 328 2.791 -11.750 3.224 1.00 34.32 C ATOM 268 O THR X 328 2.183 -12.247 4.171 1.00 44.13 O ATOM 269 CB THR X 328 5.301 -11.986 3.382 1.00 65.34 C ATOM 270 OG1 THR X 328 5.520 -10.586 3.131 1.00 51.24 O ATOM 271 CG2 THR X 328 6.549 -12.779 2.955 1.00 24.43 C ATOM 0 H THR X 328 4.916 -11.456 0.981 1.00 74.45 H new ATOM 0 HA THR X 328 3.900 -13.523 2.704 1.00 52.02 H new ATOM 0 HB THR X 328 5.139 -12.170 4.444 1.00 65.34 H new ATOM 0 HG1 THR X 328 6.320 -10.289 3.612 1.00 51.24 H new ATOM 0 HG21 THR X 328 7.414 -12.426 3.517 1.00 24.43 H new ATOM 0 HG22 THR X 328 6.393 -13.839 3.157 1.00 24.43 H new ATOM 0 HG23 THR X 328 6.725 -12.634 1.889 1.00 24.43 H new ATOM 279 N GLY X 329 2.459 -10.583 2.657 1.00 42.43 N ATOM 280 CA GLY X 329 1.369 -9.720 3.132 1.00 12.44 C ATOM 281 C GLY X 329 1.877 -8.596 4.031 1.00 3.30 C ATOM 282 O GLY X 329 1.106 -7.725 4.430 1.00 41.43 O ATOM 0 H GLY X 329 2.947 -10.206 1.844 1.00 42.43 H new ATOM 0 HA2 GLY X 329 0.847 -9.291 2.276 1.00 12.44 H new ATOM 0 HA3 GLY X 329 0.643 -10.321 3.679 1.00 12.44 H new ATOM 286 N PHE X 330 3.183 -8.640 4.362 1.00 64.43 N ATOM 287 CA PHE X 330 3.835 -7.687 5.282 1.00 60.34 C ATOM 288 C PHE X 330 4.904 -6.837 4.562 1.00 52.13 C ATOM 289 O PHE X 330 5.745 -7.379 3.823 1.00 51.01 O ATOM 290 CB PHE X 330 4.482 -8.455 6.473 1.00 24.40 C ATOM 291 CG PHE X 330 3.490 -9.291 7.284 1.00 20.54 C ATOM 292 CD1 PHE X 330 3.237 -10.625 6.949 1.00 13.34 C ATOM 293 CD2 PHE X 330 2.797 -8.740 8.365 1.00 12.42 C ATOM 294 CE1 PHE X 330 2.332 -11.373 7.665 1.00 71.43 C ATOM 295 CE2 PHE X 330 1.892 -9.495 9.085 1.00 12.45 C ATOM 296 CZ PHE X 330 1.657 -10.810 8.735 1.00 14.02 C ATOM 0 H PHE X 330 3.821 -9.346 3.994 1.00 64.43 H new ATOM 0 HA PHE X 330 3.068 -7.010 5.656 1.00 60.34 H new ATOM 0 HB2 PHE X 330 5.264 -9.109 6.088 1.00 24.40 H new ATOM 0 HB3 PHE X 330 4.964 -7.737 7.136 1.00 24.40 H new ATOM 0 HD1 PHE X 330 3.759 -11.074 6.117 1.00 13.34 H new ATOM 0 HD2 PHE X 330 2.971 -7.711 8.641 1.00 12.42 H new ATOM 0 HE1 PHE X 330 2.147 -12.402 7.392 1.00 71.43 H new ATOM 0 HE2 PHE X 330 1.368 -9.057 9.922 1.00 12.45 H new ATOM 0 HZ PHE X 330 0.947 -11.399 9.296 1.00 14.02 H new ATOM 306 N CYS X 331 4.856 -5.506 4.760 1.00 15.04 N ATOM 307 CA CYS X 331 5.957 -4.593 4.408 1.00 3.22 C ATOM 308 C CYS X 331 6.917 -4.473 5.607 1.00 1.03 C ATOM 309 O CYS X 331 6.455 -4.358 6.743 1.00 52.24 O ATOM 310 CB CYS X 331 5.402 -3.205 4.031 1.00 40.12 C ATOM 311 SG CYS X 331 4.375 -3.213 2.523 1.00 41.23 S ATOM 0 H CYS X 331 4.050 -5.034 5.170 1.00 15.04 H new ATOM 0 HA CYS X 331 6.496 -4.992 3.548 1.00 3.22 H new ATOM 0 HB2 CYS X 331 4.809 -2.822 4.862 1.00 40.12 H new ATOM 0 HB3 CYS X 331 6.235 -2.516 3.889 1.00 40.12 H new ATOM 316 N PRO X 332 8.279 -4.510 5.383 1.00 60.21 N ATOM 317 CA PRO X 332 9.289 -4.400 6.484 1.00 40.42 C ATOM 318 C PRO X 332 9.135 -3.129 7.341 1.00 65.51 C ATOM 319 O PRO X 332 9.411 -3.144 8.539 1.00 3.44 O ATOM 320 CB PRO X 332 10.641 -4.412 5.732 1.00 60.13 C ATOM 321 CG PRO X 332 10.350 -5.130 4.443 1.00 62.31 C ATOM 322 CD PRO X 332 8.945 -4.710 4.060 1.00 23.20 C ATOM 0 HA PRO X 332 9.181 -5.209 7.207 1.00 40.42 H new ATOM 0 HB2 PRO X 332 11.002 -3.400 5.550 1.00 60.13 H new ATOM 0 HB3 PRO X 332 11.411 -4.926 6.308 1.00 60.13 H new ATOM 0 HG2 PRO X 332 11.067 -4.856 3.669 1.00 62.31 H new ATOM 0 HG3 PRO X 332 10.417 -6.210 4.571 1.00 62.31 H new ATOM 0 HD2 PRO X 332 8.945 -3.796 3.466 1.00 23.20 H new ATOM 0 HD3 PRO X 332 8.443 -5.475 3.467 1.00 23.20 H new ATOM 330 N TYR X 333 8.673 -2.037 6.705 1.00 23.43 N ATOM 331 CA TYR X 333 8.516 -0.718 7.358 1.00 4.35 C ATOM 332 C TYR X 333 7.136 -0.591 8.049 1.00 12.03 C ATOM 333 O TYR X 333 6.897 0.373 8.790 1.00 20.54 O ATOM 334 CB TYR X 333 8.689 0.403 6.303 1.00 12.04 C ATOM 335 CG TYR X 333 10.018 0.350 5.537 1.00 54.11 C ATOM 336 CD1 TYR X 333 11.140 1.055 5.979 1.00 25.25 C ATOM 337 CD2 TYR X 333 10.160 -0.425 4.378 1.00 63.51 C ATOM 338 CE1 TYR X 333 12.340 0.997 5.295 1.00 55.41 C ATOM 339 CE2 TYR X 333 11.357 -0.486 3.693 1.00 54.21 C ATOM 340 CZ TYR X 333 12.447 0.223 4.153 1.00 2.41 C ATOM 341 OH TYR X 333 13.646 0.166 3.471 1.00 24.31 O ATOM 0 H TYR X 333 8.397 -2.041 5.723 1.00 23.43 H new ATOM 0 HA TYR X 333 9.282 -0.621 8.127 1.00 4.35 H new ATOM 0 HB2 TYR X 333 7.868 0.343 5.588 1.00 12.04 H new ATOM 0 HB3 TYR X 333 8.608 1.370 6.800 1.00 12.04 H new ATOM 0 HD1 TYR X 333 11.069 1.657 6.873 1.00 25.25 H new ATOM 0 HD2 TYR X 333 9.314 -0.987 4.012 1.00 63.51 H new ATOM 0 HE1 TYR X 333 13.193 1.555 5.652 1.00 55.41 H new ATOM 0 HE2 TYR X 333 11.440 -1.087 2.800 1.00 54.21 H new ATOM 0 HH TYR X 333 13.552 -0.422 2.693 1.00 24.31 H new ATOM 351 N GLY X 334 6.243 -1.573 7.806 1.00 74.52 N ATOM 352 CA GLY X 334 4.869 -1.523 8.299 1.00 55.33 C ATOM 353 C GLY X 334 4.055 -0.459 7.582 1.00 53.34 C ATOM 354 O GLY X 334 4.020 -0.453 6.350 1.00 22.43 O ATOM 0 H GLY X 334 6.460 -2.411 7.267 1.00 74.52 H new ATOM 0 HA2 GLY X 334 4.397 -2.496 8.162 1.00 55.33 H new ATOM 0 HA3 GLY X 334 4.873 -1.318 9.370 1.00 55.33 H new ATOM 358 N LEU X 335 3.425 0.464 8.341 1.00 12.54 N ATOM 359 CA LEU X 335 2.653 1.593 7.762 1.00 4.42 C ATOM 360 C LEU X 335 3.602 2.722 7.281 1.00 43.42 C ATOM 361 O LEU X 335 3.206 3.559 6.480 1.00 35.31 O ATOM 362 CB LEU X 335 1.605 2.106 8.795 1.00 14.14 C ATOM 363 CG LEU X 335 0.644 3.274 8.354 1.00 3.33 C ATOM 364 CD1 LEU X 335 -0.148 2.935 7.074 1.00 71.21 C ATOM 365 CD2 LEU X 335 -0.319 3.664 9.500 1.00 75.42 C ATOM 0 H LEU X 335 3.434 0.452 9.361 1.00 12.54 H new ATOM 0 HA LEU X 335 2.110 1.242 6.884 1.00 4.42 H new ATOM 0 HB2 LEU X 335 0.987 1.259 9.093 1.00 14.14 H new ATOM 0 HB3 LEU X 335 2.145 2.435 9.683 1.00 14.14 H new ATOM 0 HG LEU X 335 1.279 4.130 8.123 1.00 3.33 H new ATOM 0 HD11 LEU X 335 -0.795 3.773 6.814 1.00 71.21 H new ATOM 0 HD12 LEU X 335 0.547 2.745 6.256 1.00 71.21 H new ATOM 0 HD13 LEU X 335 -0.756 2.047 7.247 1.00 71.21 H new ATOM 0 HD21 LEU X 335 -0.971 4.472 9.168 1.00 75.42 H new ATOM 0 HD22 LEU X 335 -0.924 2.800 9.777 1.00 75.42 H new ATOM 0 HD23 LEU X 335 0.258 3.995 10.364 1.00 75.42 H new ATOM 377 N ARG X 336 4.881 2.688 7.730 1.00 4.41 N ATOM 378 CA ARG X 336 5.934 3.632 7.260 1.00 64.22 C ATOM 379 C ARG X 336 6.374 3.330 5.803 1.00 0.30 C ATOM 380 O ARG X 336 7.186 4.065 5.243 1.00 52.02 O ATOM 381 CB ARG X 336 7.178 3.568 8.195 1.00 23.12 C ATOM 382 CG ARG X 336 6.949 4.065 9.643 1.00 61.43 C ATOM 383 CD ARG X 336 8.103 3.674 10.589 1.00 71.53 C ATOM 384 NE ARG X 336 8.228 2.205 10.701 1.00 3.12 N ATOM 385 CZ ARG X 336 9.336 1.536 11.078 1.00 13.22 C ATOM 386 NH1 ARG X 336 10.453 2.181 11.407 1.00 62.11 N ATOM 387 NH2 ARG X 336 9.305 0.215 11.142 1.00 61.12 N ATOM 0 H ARG X 336 5.213 2.015 8.421 1.00 4.41 H new ATOM 0 HA ARG X 336 5.502 4.632 7.287 1.00 64.22 H new ATOM 0 HB2 ARG X 336 7.528 2.537 8.235 1.00 23.12 H new ATOM 0 HB3 ARG X 336 7.977 4.159 7.748 1.00 23.12 H new ATOM 0 HG2 ARG X 336 6.838 5.149 9.639 1.00 61.43 H new ATOM 0 HG3 ARG X 336 6.015 3.651 10.023 1.00 61.43 H new ATOM 0 HD2 ARG X 336 9.038 4.094 10.219 1.00 71.53 H new ATOM 0 HD3 ARG X 336 7.929 4.103 11.576 1.00 71.53 H new ATOM 0 HE ARG X 336 7.404 1.649 10.473 1.00 3.12 H new ATOM 0 HH11 ARG X 336 10.481 3.200 11.377 1.00 62.11 H new ATOM 0 HH12 ARG X 336 11.281 1.656 11.690 1.00 62.11 H new ATOM 0 HH21 ARG X 336 8.449 -0.287 10.907 1.00 61.12 H new ATOM 0 HH22 ARG X 336 10.137 -0.302 11.426 1.00 61.12 H new ATOM 401 N CYS X 337 5.837 2.236 5.219 1.00 42.44 N ATOM 402 CA CYS X 337 6.106 1.809 3.830 1.00 2.33 C ATOM 403 C CYS X 337 5.860 2.932 2.802 1.00 43.43 C ATOM 404 O CYS X 337 4.900 3.692 2.936 1.00 20.10 O ATOM 405 CB CYS X 337 5.201 0.609 3.508 1.00 74.14 C ATOM 406 SG CYS X 337 5.244 0.042 1.782 1.00 15.14 S ATOM 0 H CYS X 337 5.193 1.615 5.709 1.00 42.44 H new ATOM 0 HA CYS X 337 7.160 1.541 3.758 1.00 2.33 H new ATOM 0 HB2 CYS X 337 5.485 -0.222 4.153 1.00 74.14 H new ATOM 0 HB3 CYS X 337 4.174 0.872 3.761 1.00 74.14 H new ATOM 411 N GLU X 338 6.737 3.016 1.781 1.00 34.14 N ATOM 412 CA GLU X 338 6.623 4.009 0.688 1.00 23.31 C ATOM 413 C GLU X 338 5.442 3.674 -0.242 1.00 62.13 C ATOM 414 O GLU X 338 4.758 4.571 -0.754 1.00 13.31 O ATOM 415 CB GLU X 338 7.946 4.061 -0.136 1.00 12.21 C ATOM 416 CG GLU X 338 9.196 4.491 0.670 1.00 24.52 C ATOM 417 CD GLU X 338 9.074 5.907 1.271 1.00 34.20 C ATOM 418 OE1 GLU X 338 8.693 6.040 2.449 1.00 43.34 O ATOM 419 OE2 GLU X 338 9.341 6.892 0.550 1.00 41.04 O ATOM 0 H GLU X 338 7.544 2.399 1.689 1.00 34.14 H new ATOM 0 HA GLU X 338 6.442 4.985 1.138 1.00 23.31 H new ATOM 0 HB2 GLU X 338 8.129 3.076 -0.566 1.00 12.21 H new ATOM 0 HB3 GLU X 338 7.812 4.752 -0.968 1.00 12.21 H new ATOM 0 HG2 GLU X 338 9.366 3.775 1.474 1.00 24.52 H new ATOM 0 HG3 GLU X 338 10.070 4.453 0.020 1.00 24.52 H new ATOM 426 N PHE X 339 5.243 2.372 -0.466 1.00 14.42 N ATOM 427 CA PHE X 339 4.202 1.848 -1.359 1.00 1.05 C ATOM 428 C PHE X 339 2.882 1.663 -0.584 1.00 62.15 C ATOM 429 O PHE X 339 2.883 1.295 0.604 1.00 54.23 O ATOM 430 CB PHE X 339 4.669 0.510 -1.997 1.00 31.22 C ATOM 431 CG PHE X 339 6.015 0.625 -2.718 1.00 32.51 C ATOM 432 CD1 PHE X 339 6.090 1.118 -4.024 1.00 12.35 C ATOM 433 CD2 PHE X 339 7.208 0.265 -2.079 1.00 52.03 C ATOM 434 CE1 PHE X 339 7.310 1.242 -4.664 1.00 4.41 C ATOM 435 CE2 PHE X 339 8.421 0.389 -2.721 1.00 32.23 C ATOM 436 CZ PHE X 339 8.475 0.877 -4.013 1.00 22.13 C ATOM 0 H PHE X 339 5.806 1.643 -0.028 1.00 14.42 H new ATOM 0 HA PHE X 339 4.026 2.564 -2.162 1.00 1.05 H new ATOM 0 HB2 PHE X 339 4.744 -0.250 -1.219 1.00 31.22 H new ATOM 0 HB3 PHE X 339 3.913 0.168 -2.704 1.00 31.22 H new ATOM 0 HD1 PHE X 339 5.185 1.405 -4.539 1.00 12.35 H new ATOM 0 HD2 PHE X 339 7.177 -0.115 -1.069 1.00 52.03 H new ATOM 0 HE1 PHE X 339 7.353 1.624 -5.673 1.00 4.41 H new ATOM 0 HE2 PHE X 339 9.331 0.104 -2.214 1.00 32.23 H new ATOM 0 HZ PHE X 339 9.427 0.973 -4.514 1.00 22.13 H new ATOM 446 N VAL X 340 1.768 1.905 -1.281 1.00 51.32 N ATOM 447 CA VAL X 340 0.415 1.890 -0.694 1.00 45.13 C ATOM 448 C VAL X 340 -0.074 0.453 -0.538 1.00 44.32 C ATOM 449 O VAL X 340 0.218 -0.402 -1.364 1.00 2.03 O ATOM 450 CB VAL X 340 -0.577 2.713 -1.588 1.00 45.02 C ATOM 451 CG1 VAL X 340 -2.011 2.781 -0.994 1.00 21.34 C ATOM 452 CG2 VAL X 340 -0.008 4.122 -1.827 1.00 64.22 C ATOM 0 H VAL X 340 1.775 2.119 -2.278 1.00 51.32 H new ATOM 0 HA VAL X 340 0.455 2.353 0.292 1.00 45.13 H new ATOM 0 HB VAL X 340 -0.672 2.193 -2.541 1.00 45.02 H new ATOM 0 HG11 VAL X 340 -2.652 3.363 -1.656 1.00 21.34 H new ATOM 0 HG12 VAL X 340 -2.412 1.772 -0.895 1.00 21.34 H new ATOM 0 HG13 VAL X 340 -1.976 3.255 -0.013 1.00 21.34 H new ATOM 0 HG21 VAL X 340 -0.698 4.693 -2.448 1.00 64.22 H new ATOM 0 HG22 VAL X 340 0.123 4.629 -0.871 1.00 64.22 H new ATOM 0 HG23 VAL X 340 0.955 4.045 -2.332 1.00 64.22 H new ATOM 462 N HIS X 341 -0.796 0.194 0.546 1.00 2.12 N ATOM 463 CA HIS X 341 -1.330 -1.134 0.857 1.00 2.31 C ATOM 464 C HIS X 341 -2.734 -1.250 0.235 1.00 43.14 C ATOM 465 O HIS X 341 -3.569 -0.405 0.506 1.00 63.54 O ATOM 466 CB HIS X 341 -1.342 -1.327 2.405 1.00 64.31 C ATOM 467 CG HIS X 341 0.015 -1.050 3.022 1.00 52.34 C ATOM 468 ND1 HIS X 341 0.232 -0.403 4.210 1.00 1.10 N ATOM 469 CD2 HIS X 341 1.241 -1.317 2.514 1.00 4.15 C ATOM 470 CE1 HIS X 341 1.552 -0.294 4.381 1.00 14.20 C ATOM 471 NE2 HIS X 341 2.222 -0.835 3.363 1.00 0.33 N ATOM 0 H HIS X 341 -1.031 0.902 1.241 1.00 2.12 H new ATOM 0 HA HIS X 341 -0.710 -1.925 0.436 1.00 2.31 H new ATOM 0 HB2 HIS X 341 -2.084 -0.662 2.848 1.00 64.31 H new ATOM 0 HB3 HIS X 341 -1.646 -2.347 2.641 1.00 64.31 H new ATOM 0 HD1 HIS X 341 -0.487 -0.065 4.850 1.00 1.10 H new ATOM 0 HD2 HIS X 341 1.426 -1.831 1.582 1.00 4.15 H new ATOM 0 HE1 HIS X 341 2.018 0.173 5.236 1.00 14.20 H new ATOM 479 N PRO X 342 -3.008 -2.267 -0.649 1.00 14.14 N ATOM 480 CA PRO X 342 -4.357 -2.482 -1.248 1.00 0.44 C ATOM 481 C PRO X 342 -5.461 -2.669 -0.178 1.00 3.13 C ATOM 482 O PRO X 342 -6.637 -2.426 -0.443 1.00 53.25 O ATOM 483 CB PRO X 342 -4.179 -3.754 -2.131 1.00 1.03 C ATOM 484 CG PRO X 342 -2.906 -4.390 -1.651 1.00 51.23 C ATOM 485 CD PRO X 342 -2.027 -3.254 -1.171 1.00 24.40 C ATOM 0 HA PRO X 342 -4.691 -1.617 -1.822 1.00 0.44 H new ATOM 0 HB2 PRO X 342 -5.025 -4.432 -2.020 1.00 1.03 H new ATOM 0 HB3 PRO X 342 -4.116 -3.494 -3.188 1.00 1.03 H new ATOM 0 HG2 PRO X 342 -3.103 -5.098 -0.846 1.00 51.23 H new ATOM 0 HG3 PRO X 342 -2.421 -4.946 -2.453 1.00 51.23 H new ATOM 0 HD2 PRO X 342 -1.333 -3.581 -0.397 1.00 24.40 H new ATOM 0 HD3 PRO X 342 -1.428 -2.838 -1.981 1.00 24.40 H new ATOM 493 N THR X 343 -5.049 -3.087 1.025 1.00 54.13 N ATOM 494 CA THR X 343 -5.924 -3.234 2.191 1.00 63.11 C ATOM 495 C THR X 343 -6.275 -1.871 2.824 1.00 55.21 C ATOM 496 O THR X 343 -7.359 -1.709 3.383 1.00 51.21 O ATOM 497 CB THR X 343 -5.223 -4.146 3.241 1.00 22.34 C ATOM 498 OG1 THR X 343 -3.897 -3.653 3.491 1.00 11.41 O ATOM 499 CG2 THR X 343 -5.136 -5.602 2.766 1.00 24.11 C ATOM 0 H THR X 343 -4.079 -3.337 1.217 1.00 54.13 H new ATOM 0 HA THR X 343 -6.859 -3.688 1.862 1.00 63.11 H new ATOM 0 HB THR X 343 -5.819 -4.123 4.153 1.00 22.34 H new ATOM 0 HG1 THR X 343 -3.244 -4.355 3.289 1.00 11.41 H new ATOM 0 HG21 THR X 343 -4.640 -6.204 3.528 1.00 24.11 H new ATOM 0 HG22 THR X 343 -6.140 -5.989 2.594 1.00 24.11 H new ATOM 0 HG23 THR X 343 -4.565 -5.649 1.838 1.00 24.11 H new ATOM 507 N ASP X 344 -5.335 -0.909 2.745 1.00 51.33 N ATOM 508 CA ASP X 344 -5.515 0.459 3.287 1.00 52.31 C ATOM 509 C ASP X 344 -5.676 1.461 2.127 1.00 4.34 C ATOM 510 O ASP X 344 -4.708 1.799 1.440 1.00 31.43 O ATOM 511 CB ASP X 344 -4.316 0.843 4.190 1.00 71.23 C ATOM 512 CG ASP X 344 -4.480 2.222 4.864 1.00 32.14 C ATOM 513 OD1 ASP X 344 -3.836 3.204 4.427 1.00 3.12 O ATOM 514 OD2 ASP X 344 -5.265 2.324 5.829 1.00 21.32 O ATOM 0 H ASP X 344 -4.427 -1.055 2.304 1.00 51.33 H new ATOM 0 HA ASP X 344 -6.417 0.487 3.898 1.00 52.31 H new ATOM 0 HB2 ASP X 344 -4.191 0.082 4.960 1.00 71.23 H new ATOM 0 HB3 ASP X 344 -3.405 0.844 3.592 1.00 71.23 H new ATOM 519 N LYS X 345 -6.908 1.929 1.928 1.00 23.42 N ATOM 520 CA LYS X 345 -7.283 2.808 0.803 1.00 43.43 C ATOM 521 C LYS X 345 -8.026 4.041 1.331 1.00 71.32 C ATOM 522 O LYS X 345 -8.662 3.977 2.383 1.00 64.25 O ATOM 523 CB LYS X 345 -8.196 2.027 -0.188 1.00 1.51 C ATOM 524 CG LYS X 345 -8.654 2.837 -1.429 1.00 31.12 C ATOM 525 CD LYS X 345 -9.679 2.098 -2.307 1.00 24.10 C ATOM 526 CE LYS X 345 -10.978 1.759 -1.556 1.00 40.03 C ATOM 527 NZ LYS X 345 -11.690 2.974 -1.077 1.00 35.11 N ATOM 0 H LYS X 345 -7.689 1.710 2.547 1.00 23.42 H new ATOM 0 HA LYS X 345 -6.381 3.131 0.284 1.00 43.43 H new ATOM 0 HB2 LYS X 345 -7.663 1.139 -0.528 1.00 1.51 H new ATOM 0 HB3 LYS X 345 -9.079 1.682 0.349 1.00 1.51 H new ATOM 0 HG2 LYS X 345 -9.087 3.780 -1.096 1.00 31.12 H new ATOM 0 HG3 LYS X 345 -7.781 3.083 -2.034 1.00 31.12 H new ATOM 0 HD2 LYS X 345 -9.917 2.713 -3.175 1.00 24.10 H new ATOM 0 HD3 LYS X 345 -9.232 1.178 -2.682 1.00 24.10 H new ATOM 0 HE2 LYS X 345 -11.636 1.191 -2.213 1.00 40.03 H new ATOM 0 HE3 LYS X 345 -10.746 1.118 -0.705 1.00 40.03 H new ATOM 0 HZ1 LYS X 345 -11.776 2.940 -0.041 1.00 35.11 H new ATOM 0 HZ2 LYS X 345 -11.154 3.822 -1.353 1.00 35.11 H new ATOM 0 HZ3 LYS X 345 -12.639 3.011 -1.502 1.00 35.11 H new ATOM 541 N GLU X 346 -7.927 5.165 0.587 1.00 15.31 N ATOM 542 CA GLU X 346 -8.730 6.382 0.837 1.00 13.10 C ATOM 543 C GLU X 346 -10.249 6.042 0.750 1.00 72.15 C ATOM 544 O GLU X 346 -10.954 6.144 1.773 1.00 32.31 O ATOM 545 CB GLU X 346 -8.359 7.480 -0.195 1.00 74.32 C ATOM 546 CG GLU X 346 -6.883 7.929 -0.187 1.00 73.24 C ATOM 547 CD GLU X 346 -6.469 8.710 1.078 1.00 11.21 C ATOM 548 OE1 GLU X 346 -5.975 8.090 2.038 1.00 33.12 O ATOM 549 OE2 GLU X 346 -6.646 9.947 1.112 1.00 62.32 O ATOM 550 OXT GLU X 346 -10.701 5.590 -0.327 1.00 34.27 O ATOM 0 H GLU X 346 -7.288 5.254 -0.203 1.00 15.31 H new ATOM 0 HA GLU X 346 -8.514 6.757 1.837 1.00 13.10 H new ATOM 0 HB2 GLU X 346 -8.604 7.114 -1.192 1.00 74.32 H new ATOM 0 HB3 GLU X 346 -8.987 8.352 -0.013 1.00 74.32 H new ATOM 0 HG2 GLU X 346 -6.246 7.049 -0.283 1.00 73.24 H new ATOM 0 HG3 GLU X 346 -6.699 8.552 -1.062 1.00 73.24 H new TER 557 GLU X 346 HETATM 558 ZN ZN X 401 3.661 -1.373 1.840 1.00 32.11 ZN