USER MOD reduce.3.24.130724 H: found=0, std=0, add=265, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 257 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 1 PHE N :NH3+ -142:sc= 0.778 (180deg=0.181) USER MOD Single : A 2 ASN :FLIP amide:sc= -0.485 F(o=-1.2,f=-0.49) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc= -4.56! C(o=-4.6!,f=-14!) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 14 HIS : no HD1:sc= -1.88! C(o=-1.9!,f=-2.7!) USER MOD Single : A 21 SER OG : rot 180:sc= -1.48 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 -1.781 2.391 -6.483 1.00 41.21 N ATOM 2 CA PHE A 1 -0.561 1.917 -7.115 1.00 10.54 C ATOM 3 C PHE A 1 0.103 0.825 -6.274 1.00 70.00 C ATOM 4 O PHE A 1 -0.437 0.410 -5.250 1.00 13.53 O ATOM 5 CB PHE A 1 0.386 3.115 -7.213 1.00 11.12 C ATOM 6 CG PHE A 1 0.691 3.779 -5.868 1.00 52.15 C ATOM 7 CD1 PHE A 1 1.637 3.250 -5.048 1.00 24.12 C ATOM 8 CD2 PHE A 1 0.015 4.899 -5.494 1.00 63.33 C ATOM 9 CE1 PHE A 1 1.920 3.866 -3.800 1.00 45.22 C ATOM 10 CE2 PHE A 1 0.298 5.515 -4.247 1.00 24.12 C ATOM 11 CZ PHE A 1 1.245 4.986 -3.426 1.00 71.20 C ATOM 0 H1 PHE A 1 -2.499 2.578 -7.211 1.00 41.21 H new ATOM 0 H2 PHE A 1 -2.135 1.667 -5.825 1.00 41.21 H new ATOM 0 H3 PHE A 1 -1.583 3.267 -5.959 1.00 41.21 H new ATOM 0 HA PHE A 1 -0.788 1.496 -8.095 1.00 10.54 H new ATOM 0 HB2 PHE A 1 1.322 2.789 -7.666 1.00 11.12 H new ATOM 0 HB3 PHE A 1 -0.051 3.857 -7.882 1.00 11.12 H new ATOM 0 HD1 PHE A 1 2.174 2.361 -5.345 1.00 24.12 H new ATOM 0 HD2 PHE A 1 -0.737 5.319 -6.146 1.00 63.33 H new ATOM 0 HE1 PHE A 1 2.671 3.445 -3.148 1.00 45.22 H new ATOM 0 HE2 PHE A 1 -0.239 6.404 -3.950 1.00 24.12 H new ATOM 0 HZ PHE A 1 1.461 5.455 -2.478 1.00 71.20 H new ATOM 21 N ASN A 2 1.265 0.390 -6.738 1.00 60.24 N ATOM 22 CA ASN A 2 2.008 -0.647 -6.042 1.00 44.52 C ATOM 23 C ASN A 2 3.503 -0.328 -6.109 1.00 4.24 C ATOM 24 O ASN A 2 4.201 -0.390 -5.097 1.00 55.11 O ATOM 25 CB ASN A 2 1.787 -2.014 -6.692 1.00 2.12 C ATOM 26 CG ASN A 2 0.455 -2.055 -7.443 1.00 33.25 C ATOM 27 OD1 ASN A 2 0.473 -1.422 -8.612 1.00 31.01 O flip ATOM 28 ND2 ASN A 2 -0.525 -2.624 -6.990 1.00 71.31 N flip ATOM 0 H ASN A 2 1.710 0.737 -7.588 1.00 60.24 H new ATOM 0 HA ASN A 2 1.658 -0.678 -5.010 1.00 44.52 H new ATOM 0 HB2 ASN A 2 2.604 -2.229 -7.381 1.00 2.12 H new ATOM 0 HB3 ASN A 2 1.802 -2.791 -5.928 1.00 2.12 H new ATOM 0 HD21 ASN A 2 -0.470 -3.091 -6.085 1.00 71.31 H new ATOM 0 HD22 ASN A 2 -1.399 -2.632 -7.516 1.00 71.31 H new ATOM 35 N ARG A 3 3.952 0.007 -7.310 1.00 33.43 N ATOM 36 CA ARG A 3 5.351 0.335 -7.521 1.00 42.24 C ATOM 37 C ARG A 3 5.721 1.605 -6.752 1.00 34.13 C ATOM 38 O ARG A 3 6.899 1.884 -6.538 1.00 2.44 O ATOM 39 CB ARG A 3 5.649 0.543 -9.008 1.00 25.05 C ATOM 40 CG ARG A 3 4.665 1.534 -9.631 1.00 12.30 C ATOM 41 CD ARG A 3 4.060 0.970 -10.918 1.00 34.00 C ATOM 42 NE ARG A 3 3.619 -0.426 -10.700 1.00 62.15 N ATOM 43 CZ ARG A 3 3.111 -1.219 -11.668 1.00 2.12 C ATOM 44 NH1 ARG A 3 2.975 -0.759 -12.930 1.00 1.33 N ATOM 45 NH2 ARG A 3 2.749 -2.451 -11.361 1.00 45.14 N ATOM 0 H ARG A 3 3.371 0.058 -8.147 1.00 33.43 H new ATOM 0 HA ARG A 3 5.946 -0.502 -7.155 1.00 42.24 H new ATOM 0 HB2 ARG A 3 6.668 0.911 -9.130 1.00 25.05 H new ATOM 0 HB3 ARG A 3 5.590 -0.411 -9.531 1.00 25.05 H new ATOM 0 HG2 ARG A 3 3.870 1.759 -8.920 1.00 12.30 H new ATOM 0 HG3 ARG A 3 5.176 2.473 -9.846 1.00 12.30 H new ATOM 0 HD2 ARG A 3 3.215 1.583 -11.231 1.00 34.00 H new ATOM 0 HD3 ARG A 3 4.795 1.007 -11.722 1.00 34.00 H new ATOM 0 HE ARG A 3 3.704 -0.813 -9.760 1.00 62.15 H new ATOM 0 HH11 ARG A 3 3.257 0.194 -13.159 1.00 1.33 H new ATOM 0 HH12 ARG A 3 2.590 -1.365 -13.655 1.00 1.33 H new ATOM 0 HH21 ARG A 3 2.855 -2.790 -10.405 1.00 45.14 H new ATOM 0 HH22 ARG A 3 2.363 -3.063 -12.080 1.00 45.14 H new ATOM 58 N GLY A 4 4.691 2.340 -6.357 1.00 23.21 N ATOM 59 CA GLY A 4 4.893 3.573 -5.616 1.00 10.23 C ATOM 60 C GLY A 4 5.008 4.769 -6.563 1.00 10.53 C ATOM 61 O GLY A 4 4.408 5.816 -6.322 1.00 72.13 O ATOM 0 H GLY A 4 3.715 2.105 -6.536 1.00 23.21 H new ATOM 0 HA2 GLY A 4 4.062 3.728 -4.928 1.00 10.23 H new ATOM 0 HA3 GLY A 4 5.797 3.495 -5.012 1.00 10.23 H new ATOM 65 N GLY A 5 5.783 4.575 -7.619 1.00 62.33 N ATOM 66 CA GLY A 5 5.985 5.624 -8.604 1.00 15.55 C ATOM 67 C GLY A 5 7.340 6.307 -8.408 1.00 30.21 C ATOM 68 O GLY A 5 7.781 7.076 -9.261 1.00 33.31 O ATOM 0 H GLY A 5 6.279 3.706 -7.815 1.00 62.33 H new ATOM 0 HA2 GLY A 5 5.929 5.201 -9.607 1.00 15.55 H new ATOM 0 HA3 GLY A 5 5.187 6.362 -8.524 1.00 15.55 H new ATOM 72 N TYR A 6 7.963 6.001 -7.279 1.00 61.15 N ATOM 73 CA TYR A 6 9.259 6.575 -6.961 1.00 4.10 C ATOM 74 C TYR A 6 10.390 5.761 -7.593 1.00 21.31 C ATOM 75 O TYR A 6 11.504 6.258 -7.753 1.00 54.00 O ATOM 76 CB TYR A 6 9.388 6.507 -5.438 1.00 12.51 C ATOM 77 CG TYR A 6 8.051 6.574 -4.697 1.00 51.42 C ATOM 78 CD1 TYR A 6 7.487 7.799 -4.400 1.00 60.40 C ATOM 79 CD2 TYR A 6 7.409 5.411 -4.326 1.00 75.41 C ATOM 80 CE1 TYR A 6 6.229 7.862 -3.703 1.00 34.42 C ATOM 81 CE2 TYR A 6 6.150 5.474 -3.629 1.00 22.41 C ATOM 82 CZ TYR A 6 5.622 6.696 -3.352 1.00 3.03 C ATOM 83 OH TYR A 6 4.434 6.756 -2.693 1.00 72.52 O ATOM 0 H TYR A 6 7.594 5.363 -6.574 1.00 61.15 H new ATOM 0 HA TYR A 6 9.331 7.594 -7.342 1.00 4.10 H new ATOM 0 HB2 TYR A 6 9.896 5.581 -5.168 1.00 12.51 H new ATOM 0 HB3 TYR A 6 10.021 7.328 -5.100 1.00 12.51 H new ATOM 0 HD1 TYR A 6 7.990 8.710 -4.691 1.00 60.40 H new ATOM 0 HD2 TYR A 6 7.850 4.453 -4.558 1.00 75.41 H new ATOM 0 HE1 TYR A 6 5.777 8.813 -3.464 1.00 34.42 H new ATOM 0 HE2 TYR A 6 5.637 4.571 -3.333 1.00 22.41 H new ATOM 0 HH TYR A 6 4.117 5.848 -2.507 1.00 72.52 H new ATOM 93 N ASN A 7 10.065 4.523 -7.935 1.00 31.42 N ATOM 94 CA ASN A 7 11.039 3.634 -8.546 1.00 3.54 C ATOM 95 C ASN A 7 11.537 4.253 -9.854 1.00 32.32 C ATOM 96 O ASN A 7 11.259 5.416 -10.140 1.00 2.44 O ATOM 97 CB ASN A 7 10.417 2.275 -8.872 1.00 3.24 C ATOM 98 CG ASN A 7 9.315 2.415 -9.923 1.00 60.34 C ATOM 99 OD1 ASN A 7 9.541 2.294 -11.116 1.00 53.44 O ATOM 100 ND2 ASN A 7 8.113 2.674 -9.416 1.00 43.44 N ATOM 0 H ASN A 7 9.140 4.114 -7.801 1.00 31.42 H new ATOM 0 HA ASN A 7 11.858 3.495 -7.840 1.00 3.54 H new ATOM 0 HB2 ASN A 7 11.188 1.596 -9.236 1.00 3.24 H new ATOM 0 HB3 ASN A 7 10.005 1.832 -7.965 1.00 3.24 H new ATOM 0 HD21 ASN A 7 7.311 2.784 -10.036 1.00 43.44 H new ATOM 0 HD22 ASN A 7 7.993 2.763 -8.407 1.00 43.44 H new ATOM 107 N PHE A 8 12.263 3.446 -10.613 1.00 44.24 N ATOM 108 CA PHE A 8 12.802 3.899 -11.885 1.00 2.45 C ATOM 109 C PHE A 8 13.429 2.738 -12.660 1.00 15.52 C ATOM 110 O PHE A 8 14.505 2.882 -13.238 1.00 13.33 O ATOM 111 CB PHE A 8 13.887 4.930 -11.568 1.00 45.32 C ATOM 112 CG PHE A 8 14.648 4.655 -10.269 1.00 73.22 C ATOM 113 CD1 PHE A 8 15.223 3.440 -10.063 1.00 31.15 C ATOM 114 CD2 PHE A 8 14.748 5.625 -9.321 1.00 62.13 C ATOM 115 CE1 PHE A 8 15.929 3.184 -8.857 1.00 55.30 C ATOM 116 CE2 PHE A 8 15.454 5.369 -8.116 1.00 12.31 C ATOM 117 CZ PHE A 8 16.029 4.154 -7.909 1.00 41.41 C ATOM 0 H PHE A 8 12.491 2.481 -10.372 1.00 44.24 H new ATOM 0 HA PHE A 8 12.005 4.321 -12.498 1.00 2.45 H new ATOM 0 HB2 PHE A 8 14.598 4.960 -12.394 1.00 45.32 H new ATOM 0 HB3 PHE A 8 13.429 5.917 -11.506 1.00 45.32 H new ATOM 0 HD1 PHE A 8 15.143 2.670 -10.816 1.00 31.15 H new ATOM 0 HD2 PHE A 8 14.291 6.590 -9.485 1.00 62.13 H new ATOM 0 HE1 PHE A 8 16.386 2.219 -8.693 1.00 55.30 H new ATOM 0 HE2 PHE A 8 15.534 6.139 -7.363 1.00 12.31 H new ATOM 0 HZ PHE A 8 16.565 3.959 -6.992 1.00 41.41 H new ATOM 127 N GLY A 9 12.728 1.614 -12.647 1.00 10.00 N ATOM 128 CA GLY A 9 13.202 0.429 -13.342 1.00 11.03 C ATOM 129 C GLY A 9 12.047 -0.529 -13.643 1.00 2.50 C ATOM 130 O GLY A 9 11.790 -0.852 -14.802 1.00 2.53 O ATOM 0 H GLY A 9 11.836 1.499 -12.166 1.00 10.00 H new ATOM 0 HA2 GLY A 9 13.690 0.720 -14.272 1.00 11.03 H new ATOM 0 HA3 GLY A 9 13.951 -0.078 -12.734 1.00 11.03 H new ATOM 134 N LYS A 10 11.382 -0.956 -12.580 1.00 1.33 N ATOM 135 CA LYS A 10 10.261 -1.870 -12.716 1.00 12.22 C ATOM 136 C LYS A 10 9.128 -1.172 -13.470 1.00 52.55 C ATOM 137 O LYS A 10 8.660 -1.668 -14.494 1.00 65.31 O ATOM 138 CB LYS A 10 9.845 -2.414 -11.348 1.00 35.41 C ATOM 139 CG LYS A 10 11.056 -2.565 -10.426 1.00 2.02 C ATOM 140 CD LYS A 10 11.042 -1.503 -9.324 1.00 61.23 C ATOM 141 CE LYS A 10 9.776 -1.614 -8.472 1.00 40.13 C ATOM 142 NZ LYS A 10 10.100 -2.144 -7.129 1.00 70.31 N ATOM 0 H LYS A 10 11.598 -0.686 -11.620 1.00 1.33 H new ATOM 0 HA LYS A 10 10.548 -2.740 -13.306 1.00 12.22 H new ATOM 0 HB2 LYS A 10 9.118 -1.743 -10.892 1.00 35.41 H new ATOM 0 HB3 LYS A 10 9.354 -3.380 -11.471 1.00 35.41 H new ATOM 0 HG2 LYS A 10 11.055 -3.559 -9.978 1.00 2.02 H new ATOM 0 HG3 LYS A 10 11.974 -2.478 -11.008 1.00 2.02 H new ATOM 0 HD2 LYS A 10 11.922 -1.619 -8.691 1.00 61.23 H new ATOM 0 HD3 LYS A 10 11.099 -0.510 -9.770 1.00 61.23 H new ATOM 0 HE2 LYS A 10 9.306 -0.635 -8.379 1.00 40.13 H new ATOM 0 HE3 LYS A 10 9.056 -2.268 -8.964 1.00 40.13 H new ATOM 0 HZ1 LYS A 10 9.230 -2.213 -6.564 1.00 70.31 H new ATOM 0 HZ2 LYS A 10 10.528 -3.087 -7.222 1.00 70.31 H new ATOM 0 HZ3 LYS A 10 10.770 -1.505 -6.656 1.00 70.31 H new ATOM 155 N SER A 11 8.719 -0.030 -12.936 1.00 31.32 N ATOM 156 CA SER A 11 7.650 0.741 -13.546 1.00 55.31 C ATOM 157 C SER A 11 7.972 1.010 -15.017 1.00 43.52 C ATOM 158 O SER A 11 7.071 1.076 -15.852 1.00 44.02 O ATOM 159 CB SER A 11 7.427 2.059 -12.802 1.00 4.24 C ATOM 160 OG SER A 11 6.292 2.766 -13.294 1.00 33.53 O ATOM 0 H SER A 11 9.109 0.380 -12.087 1.00 31.32 H new ATOM 0 HA SER A 11 6.730 0.159 -13.482 1.00 55.31 H new ATOM 0 HB2 SER A 11 7.295 1.857 -11.739 1.00 4.24 H new ATOM 0 HB3 SER A 11 8.314 2.685 -12.900 1.00 4.24 H new ATOM 0 HG SER A 11 6.184 3.601 -12.792 1.00 33.53 H new ATOM 166 N VAL A 12 9.260 1.159 -15.290 1.00 3.23 N ATOM 167 CA VAL A 12 9.713 1.420 -16.646 1.00 22.25 C ATOM 168 C VAL A 12 9.348 0.232 -17.538 1.00 14.11 C ATOM 169 O VAL A 12 9.043 0.407 -18.717 1.00 14.44 O ATOM 170 CB VAL A 12 11.212 1.729 -16.646 1.00 53.23 C ATOM 171 CG1 VAL A 12 11.838 1.402 -18.003 1.00 63.01 C ATOM 172 CG2 VAL A 12 11.471 3.187 -16.260 1.00 33.32 C ATOM 0 H VAL A 12 10.005 1.104 -14.595 1.00 3.23 H new ATOM 0 HA VAL A 12 9.213 2.299 -17.054 1.00 22.25 H new ATOM 0 HB VAL A 12 11.685 1.095 -15.896 1.00 53.23 H new ATOM 0 HG11 VAL A 12 12.903 1.630 -17.977 1.00 63.01 H new ATOM 0 HG12 VAL A 12 11.699 0.343 -18.222 1.00 63.01 H new ATOM 0 HG13 VAL A 12 11.358 1.999 -18.778 1.00 63.01 H new ATOM 0 HG21 VAL A 12 12.544 3.380 -16.268 1.00 33.32 H new ATOM 0 HG22 VAL A 12 10.978 3.846 -16.975 1.00 33.32 H new ATOM 0 HG23 VAL A 12 11.076 3.375 -15.262 1.00 33.32 H new ATOM 182 N ARG A 13 9.390 -0.950 -16.942 1.00 21.34 N ATOM 183 CA ARG A 13 9.067 -2.167 -17.668 1.00 1.32 C ATOM 184 C ARG A 13 7.579 -2.194 -18.023 1.00 1.41 C ATOM 185 O ARG A 13 7.197 -2.707 -19.074 1.00 3.43 O ATOM 186 CB ARG A 13 9.410 -3.408 -16.842 1.00 71.42 C ATOM 187 CG ARG A 13 10.863 -3.366 -16.366 1.00 23.11 C ATOM 188 CD ARG A 13 11.778 -2.788 -17.448 1.00 21.14 C ATOM 189 NE ARG A 13 11.590 -3.526 -18.717 1.00 12.32 N ATOM 190 CZ ARG A 13 11.985 -4.801 -18.917 1.00 43.10 C ATOM 191 NH1 ARG A 13 12.595 -5.492 -17.931 1.00 4.13 N ATOM 192 NH2 ARG A 13 11.767 -5.362 -20.092 1.00 15.13 N ATOM 0 H ARG A 13 9.643 -1.091 -15.964 1.00 21.34 H new ATOM 0 HA ARG A 13 9.662 -2.177 -18.581 1.00 1.32 H new ATOM 0 HB2 ARG A 13 8.744 -3.472 -15.982 1.00 71.42 H new ATOM 0 HB3 ARG A 13 9.245 -4.304 -17.440 1.00 71.42 H new ATOM 0 HG2 ARG A 13 10.936 -2.761 -15.462 1.00 23.11 H new ATOM 0 HG3 ARG A 13 11.193 -4.371 -16.105 1.00 23.11 H new ATOM 0 HD2 ARG A 13 11.557 -1.731 -17.596 1.00 21.14 H new ATOM 0 HD3 ARG A 13 12.818 -2.854 -17.130 1.00 21.14 H new ATOM 0 HE ARG A 13 11.133 -3.041 -19.489 1.00 12.32 H new ATOM 0 HH11 ARG A 13 12.761 -5.051 -17.026 1.00 4.13 H new ATOM 0 HH12 ARG A 13 12.890 -6.455 -18.091 1.00 4.13 H new ATOM 0 HH21 ARG A 13 11.306 -4.833 -20.832 1.00 15.13 H new ATOM 0 HH22 ARG A 13 12.059 -6.325 -20.260 1.00 15.13 H new ATOM 205 N HIS A 14 6.779 -1.635 -17.127 1.00 3.24 N ATOM 206 CA HIS A 14 5.342 -1.588 -17.332 1.00 74.33 C ATOM 207 C HIS A 14 5.004 -0.502 -18.355 1.00 44.42 C ATOM 208 O HIS A 14 4.176 -0.712 -19.240 1.00 64.30 O ATOM 209 CB HIS A 14 4.609 -1.399 -16.003 1.00 34.13 C ATOM 210 CG HIS A 14 3.330 -0.603 -16.114 1.00 71.43 C ATOM 211 ND1 HIS A 14 2.088 -1.134 -15.812 1.00 10.23 N ATOM 212 CD2 HIS A 14 3.114 0.688 -16.497 1.00 24.02 C ATOM 213 CE1 HIS A 14 1.173 -0.196 -16.008 1.00 4.41 C ATOM 214 NE2 HIS A 14 1.811 0.933 -16.433 1.00 24.41 N ATOM 0 H HIS A 14 7.099 -1.210 -16.257 1.00 3.24 H new ATOM 0 HA HIS A 14 4.998 -2.540 -17.737 1.00 74.33 H new ATOM 0 HB2 HIS A 14 4.380 -2.379 -15.584 1.00 34.13 H new ATOM 0 HB3 HIS A 14 5.276 -0.900 -15.300 1.00 34.13 H new ATOM 0 HD2 HIS A 14 3.875 1.392 -16.801 1.00 24.02 H new ATOM 0 HE1 HIS A 14 0.109 -0.306 -15.858 1.00 4.41 H new ATOM 0 HE2 HIS A 14 1.361 1.819 -16.663 1.00 24.41 H new ATOM 222 N VAL A 15 5.663 0.637 -18.200 1.00 4.22 N ATOM 223 CA VAL A 15 5.444 1.757 -19.099 1.00 1.52 C ATOM 224 C VAL A 15 5.976 1.402 -20.489 1.00 11.13 C ATOM 225 O VAL A 15 5.411 1.819 -21.499 1.00 31.23 O ATOM 226 CB VAL A 15 6.079 3.024 -18.521 1.00 64.04 C ATOM 227 CG1 VAL A 15 7.499 3.218 -19.057 1.00 42.32 C ATOM 228 CG2 VAL A 15 5.212 4.252 -18.808 1.00 24.34 C ATOM 0 H VAL A 15 6.349 0.808 -17.465 1.00 4.22 H new ATOM 0 HA VAL A 15 4.378 1.961 -19.202 1.00 1.52 H new ATOM 0 HB VAL A 15 6.142 2.904 -17.439 1.00 64.04 H new ATOM 0 HG11 VAL A 15 7.928 4.125 -18.631 1.00 42.32 H new ATOM 0 HG12 VAL A 15 8.113 2.361 -18.779 1.00 42.32 H new ATOM 0 HG13 VAL A 15 7.469 3.306 -20.143 1.00 42.32 H new ATOM 0 HG21 VAL A 15 5.686 5.139 -18.387 1.00 24.34 H new ATOM 0 HG22 VAL A 15 5.103 4.376 -19.885 1.00 24.34 H new ATOM 0 HG23 VAL A 15 4.229 4.117 -18.357 1.00 24.34 H new ATOM 238 N VAL A 16 7.057 0.636 -20.496 1.00 34.34 N ATOM 239 CA VAL A 16 7.671 0.219 -21.745 1.00 0.52 C ATOM 240 C VAL A 16 6.619 -0.457 -22.625 1.00 75.41 C ATOM 241 O VAL A 16 6.551 -0.202 -23.826 1.00 44.15 O ATOM 242 CB VAL A 16 8.879 -0.676 -21.461 1.00 52.02 C ATOM 243 CG1 VAL A 16 9.180 -1.584 -22.655 1.00 21.42 C ATOM 244 CG2 VAL A 16 10.104 0.159 -21.085 1.00 1.25 C ATOM 0 H VAL A 16 7.524 0.293 -19.656 1.00 34.34 H new ATOM 0 HA VAL A 16 8.046 1.083 -22.294 1.00 0.52 H new ATOM 0 HB VAL A 16 8.633 -1.311 -20.610 1.00 52.02 H new ATOM 0 HG11 VAL A 16 10.043 -2.210 -22.428 1.00 21.42 H new ATOM 0 HG12 VAL A 16 8.316 -2.217 -22.858 1.00 21.42 H new ATOM 0 HG13 VAL A 16 9.396 -0.973 -23.531 1.00 21.42 H new ATOM 0 HG21 VAL A 16 10.948 -0.502 -20.888 1.00 1.25 H new ATOM 0 HG22 VAL A 16 10.353 0.831 -21.907 1.00 1.25 H new ATOM 0 HG23 VAL A 16 9.885 0.744 -20.192 1.00 1.25 H new ATOM 254 N ASP A 17 5.823 -1.308 -21.993 1.00 52.42 N ATOM 255 CA ASP A 17 4.777 -2.023 -22.704 1.00 33.11 C ATOM 256 C ASP A 17 3.656 -1.048 -23.069 1.00 74.22 C ATOM 257 O ASP A 17 2.916 -1.277 -24.025 1.00 44.24 O ATOM 258 CB ASP A 17 4.177 -3.129 -21.833 1.00 53.14 C ATOM 259 CG ASP A 17 4.739 -4.529 -22.088 1.00 11.03 C ATOM 260 OD1 ASP A 17 5.933 -4.787 -21.873 1.00 13.53 O ATOM 261 OD2 ASP A 17 3.884 -5.387 -22.532 1.00 23.33 O ATOM 0 H ASP A 17 5.882 -1.518 -20.997 1.00 52.42 H new ATOM 0 HA ASP A 17 5.218 -2.466 -23.597 1.00 33.11 H new ATOM 0 HB2 ASP A 17 4.339 -2.874 -20.786 1.00 53.14 H new ATOM 0 HB3 ASP A 17 3.099 -3.152 -21.993 1.00 53.14 H new ATOM 267 N ALA A 18 3.564 0.018 -22.288 1.00 45.34 N ATOM 268 CA ALA A 18 2.546 1.029 -22.518 1.00 31.13 C ATOM 269 C ALA A 18 2.718 1.610 -23.923 1.00 15.15 C ATOM 270 O ALA A 18 1.742 2.009 -24.557 1.00 11.14 O ATOM 271 CB ALA A 18 2.635 2.100 -21.429 1.00 31.13 C ATOM 0 H ALA A 18 4.178 0.204 -21.495 1.00 45.34 H new ATOM 0 HA ALA A 18 1.550 0.590 -22.463 1.00 31.13 H new ATOM 0 HB1 ALA A 18 1.871 2.859 -21.601 1.00 31.13 H new ATOM 0 HB2 ALA A 18 2.477 1.641 -20.453 1.00 31.13 H new ATOM 0 HB3 ALA A 18 3.621 2.565 -21.455 1.00 31.13 H new ATOM 277 N ILE A 19 3.965 1.640 -24.368 1.00 20.52 N ATOM 278 CA ILE A 19 4.277 2.165 -25.686 1.00 0.31 C ATOM 279 C ILE A 19 3.470 1.403 -26.739 1.00 22.54 C ATOM 280 O ILE A 19 3.149 1.947 -27.794 1.00 31.51 O ATOM 281 CB ILE A 19 5.787 2.138 -25.930 1.00 2.31 C ATOM 282 CG1 ILE A 19 6.494 3.220 -25.111 1.00 4.11 C ATOM 283 CG2 ILE A 19 6.104 2.251 -27.423 1.00 35.24 C ATOM 284 CD1 ILE A 19 7.398 2.598 -24.045 1.00 23.41 C ATOM 0 H ILE A 19 4.772 1.309 -23.839 1.00 20.52 H new ATOM 0 HA ILE A 19 3.985 3.213 -25.757 1.00 0.31 H new ATOM 0 HB ILE A 19 6.170 1.175 -25.592 1.00 2.31 H new ATOM 0 HG12 ILE A 19 7.087 3.852 -25.772 1.00 4.11 H new ATOM 0 HG13 ILE A 19 5.754 3.863 -24.635 1.00 4.11 H new ATOM 0 HG21 ILE A 19 7.184 2.229 -27.568 1.00 35.24 H new ATOM 0 HG22 ILE A 19 5.649 1.416 -27.956 1.00 35.24 H new ATOM 0 HG23 ILE A 19 5.705 3.189 -27.810 1.00 35.24 H new ATOM 0 HD11 ILE A 19 7.888 3.389 -23.477 1.00 23.41 H new ATOM 0 HD12 ILE A 19 6.798 1.986 -23.371 1.00 23.41 H new ATOM 0 HD13 ILE A 19 8.152 1.975 -24.526 1.00 23.41 H new ATOM 296 N GLY A 20 3.166 0.154 -26.415 1.00 1.33 N ATOM 297 CA GLY A 20 2.403 -0.689 -27.319 1.00 51.23 C ATOM 298 C GLY A 20 0.923 -0.713 -26.930 1.00 5.42 C ATOM 299 O GLY A 20 0.058 -0.930 -27.777 1.00 3.23 O ATOM 0 H GLY A 20 3.435 -0.294 -25.539 1.00 1.33 H new ATOM 0 HA2 GLY A 20 2.508 -0.322 -28.340 1.00 51.23 H new ATOM 0 HA3 GLY A 20 2.804 -1.703 -27.302 1.00 51.23 H new ATOM 303 N SER A 21 0.678 -0.486 -25.648 1.00 24.24 N ATOM 304 CA SER A 21 -0.681 -0.479 -25.135 1.00 54.15 C ATOM 305 C SER A 21 -1.384 0.820 -25.535 1.00 73.05 C ATOM 306 O SER A 21 -2.612 0.875 -25.589 1.00 61.30 O ATOM 307 CB SER A 21 -0.698 -0.645 -23.615 1.00 11.23 C ATOM 308 OG SER A 21 0.496 -1.255 -23.131 1.00 55.21 O ATOM 0 H SER A 21 1.398 -0.305 -24.949 1.00 24.24 H new ATOM 0 HA SER A 21 -1.215 -1.323 -25.571 1.00 54.15 H new ATOM 0 HB2 SER A 21 -0.823 0.331 -23.145 1.00 11.23 H new ATOM 0 HB3 SER A 21 -1.557 -1.250 -23.326 1.00 11.23 H new ATOM 0 HG SER A 21 0.447 -1.342 -22.156 1.00 55.21 H new ATOM 314 N VAL A 22 -0.575 1.834 -25.806 1.00 74.21 N ATOM 315 CA VAL A 22 -1.104 3.129 -26.200 1.00 33.33 C ATOM 316 C VAL A 22 -1.949 2.967 -27.465 1.00 35.53 C ATOM 317 O VAL A 22 -2.984 3.616 -27.612 1.00 21.42 O ATOM 318 CB VAL A 22 0.039 4.131 -26.369 1.00 10.40 C ATOM 319 CG1 VAL A 22 1.143 3.559 -27.260 1.00 20.41 C ATOM 320 CG2 VAL A 22 -0.476 5.462 -26.921 1.00 12.10 C ATOM 0 H VAL A 22 0.443 1.785 -25.760 1.00 74.21 H new ATOM 0 HA VAL A 22 -1.756 3.528 -25.423 1.00 33.33 H new ATOM 0 HB VAL A 22 0.467 4.319 -25.384 1.00 10.40 H new ATOM 0 HG11 VAL A 22 1.943 4.292 -27.364 1.00 20.41 H new ATOM 0 HG12 VAL A 22 1.540 2.650 -26.809 1.00 20.41 H new ATOM 0 HG13 VAL A 22 0.734 3.327 -28.243 1.00 20.41 H new ATOM 0 HG21 VAL A 22 0.357 6.157 -27.032 1.00 12.10 H new ATOM 0 HG22 VAL A 22 -0.942 5.297 -27.892 1.00 12.10 H new ATOM 0 HG23 VAL A 22 -1.210 5.882 -26.233 1.00 12.10 H new ATOM 330 N ALA A 23 -1.478 2.097 -28.346 1.00 25.23 N ATOM 331 CA ALA A 23 -2.177 1.841 -29.593 1.00 41.04 C ATOM 332 C ALA A 23 -3.441 1.028 -29.307 1.00 62.31 C ATOM 333 O ALA A 23 -4.320 0.919 -30.160 1.00 52.43 O ATOM 334 CB ALA A 23 -1.236 1.132 -30.570 1.00 53.51 C ATOM 0 H ALA A 23 -0.620 1.560 -28.220 1.00 25.23 H new ATOM 0 HA ALA A 23 -2.486 2.777 -30.059 1.00 41.04 H new ATOM 0 HB1 ALA A 23 -1.761 0.940 -31.506 1.00 53.51 H new ATOM 0 HB2 ALA A 23 -0.369 1.764 -30.763 1.00 53.51 H new ATOM 0 HB3 ALA A 23 -0.907 0.187 -30.138 1.00 53.51 H new ATOM 340 N GLY A 24 -3.491 0.477 -28.103 1.00 72.43 N ATOM 341 CA GLY A 24 -4.633 -0.324 -27.694 1.00 2.22 C ATOM 342 C GLY A 24 -5.326 0.292 -26.477 1.00 0.13 C ATOM 343 O GLY A 24 -6.106 -0.375 -25.799 1.00 1.14 O ATOM 0 H GLY A 24 -2.760 0.569 -27.398 1.00 72.43 H new ATOM 0 HA2 GLY A 24 -5.341 -0.403 -28.519 1.00 2.22 H new ATOM 0 HA3 GLY A 24 -4.306 -1.336 -27.457 1.00 2.22 H new ATOM 347 N ILE A 25 -5.016 1.558 -26.237 1.00 34.20 N ATOM 348 CA ILE A 25 -5.600 2.271 -25.113 1.00 42.15 C ATOM 349 C ILE A 25 -5.848 3.727 -25.513 1.00 1.13 C ATOM 350 O ILE A 25 -6.969 4.222 -25.404 1.00 23.00 O ATOM 351 CB ILE A 25 -4.725 2.115 -23.868 1.00 14.44 C ATOM 352 CG1 ILE A 25 -4.929 0.743 -23.223 1.00 20.21 C ATOM 353 CG2 ILE A 25 -4.973 3.256 -22.878 1.00 62.12 C ATOM 354 CD1 ILE A 25 -3.676 -0.123 -23.369 1.00 2.35 C ATOM 0 H ILE A 25 -4.368 2.108 -26.801 1.00 34.20 H new ATOM 0 HA ILE A 25 -6.567 1.843 -24.850 1.00 42.15 H new ATOM 0 HB ILE A 25 -3.681 2.175 -24.174 1.00 14.44 H new ATOM 0 HG12 ILE A 25 -5.170 0.866 -22.167 1.00 20.21 H new ATOM 0 HG13 ILE A 25 -5.778 0.242 -23.687 1.00 20.21 H new ATOM 0 HG21 ILE A 25 -4.339 3.122 -22.002 1.00 62.12 H new ATOM 0 HG22 ILE A 25 -4.738 4.208 -23.354 1.00 62.12 H new ATOM 0 HG23 ILE A 25 -6.019 3.252 -22.573 1.00 62.12 H new ATOM 0 HD11 ILE A 25 -3.848 -1.093 -22.902 1.00 2.35 H new ATOM 0 HD12 ILE A 25 -3.452 -0.264 -24.426 1.00 2.35 H new ATOM 0 HD13 ILE A 25 -2.834 0.370 -22.883 1.00 2.35 H new ATOM 366 N ARG A 26 -4.783 4.372 -25.967 1.00 14.45 N ATOM 367 CA ARG A 26 -4.872 5.762 -26.383 1.00 24.25 C ATOM 368 C ARG A 26 -5.652 5.875 -27.693 1.00 75.13 C ATOM 369 O ARG A 26 -6.682 6.546 -27.751 1.00 23.01 O ATOM 370 CB ARG A 26 -3.480 6.369 -26.572 1.00 12.43 C ATOM 371 CG ARG A 26 -3.391 7.749 -25.916 1.00 25.22 C ATOM 372 CD ARG A 26 -2.187 7.831 -24.975 1.00 45.53 C ATOM 373 NE ARG A 26 -2.437 8.838 -23.920 1.00 32.14 N ATOM 374 CZ ARG A 26 -1.662 8.996 -22.826 1.00 11.53 C ATOM 375 NH1 ARG A 26 -0.579 8.214 -22.634 1.00 43.24 N ATOM 376 NH2 ARG A 26 -1.980 9.928 -21.946 1.00 23.12 N ATOM 0 H ARG A 26 -3.855 3.958 -26.056 1.00 14.45 H new ATOM 0 HA ARG A 26 -5.393 6.311 -25.598 1.00 24.25 H new ATOM 0 HB2 ARG A 26 -2.729 5.708 -26.140 1.00 12.43 H new ATOM 0 HB3 ARG A 26 -3.257 6.453 -27.636 1.00 12.43 H new ATOM 0 HG2 ARG A 26 -3.309 8.517 -26.685 1.00 25.22 H new ATOM 0 HG3 ARG A 26 -4.306 7.951 -25.360 1.00 25.22 H new ATOM 0 HD2 ARG A 26 -2.001 6.857 -24.523 1.00 45.53 H new ATOM 0 HD3 ARG A 26 -1.292 8.097 -25.538 1.00 45.53 H new ATOM 0 HE ARG A 26 -3.245 9.451 -24.026 1.00 32.14 H new ATOM 0 HH11 ARG A 26 -0.340 7.496 -23.318 1.00 43.24 H new ATOM 0 HH12 ARG A 26 0.001 8.341 -21.804 1.00 43.24 H new ATOM 0 HH21 ARG A 26 -2.800 10.515 -22.099 1.00 23.12 H new ATOM 0 HH22 ARG A 26 -1.405 10.061 -21.114 1.00 23.12 H new ATOM 389 N GLY A 27 -5.133 5.208 -28.714 1.00 12.42 N ATOM 390 CA GLY A 27 -5.769 5.226 -30.020 1.00 60.33 C ATOM 391 C GLY A 27 -7.233 4.793 -29.923 1.00 54.13 C ATOM 392 O GLY A 27 -8.084 5.300 -30.654 1.00 23.34 O ATOM 0 H GLY A 27 -4.279 4.652 -28.663 1.00 12.42 H new ATOM 0 HA2 GLY A 27 -5.710 6.229 -30.443 1.00 60.33 H new ATOM 0 HA3 GLY A 27 -5.234 4.562 -30.698 1.00 60.33 H new ATOM 396 N ILE A 28 -7.483 3.861 -29.015 1.00 61.04 N ATOM 397 CA ILE A 28 -8.830 3.355 -28.813 1.00 62.54 C ATOM 398 C ILE A 28 -9.627 4.357 -27.976 1.00 25.32 C ATOM 399 O ILE A 28 -10.855 4.307 -27.944 1.00 71.40 O ATOM 400 CB ILE A 28 -8.789 1.947 -28.214 1.00 42.41 C ATOM 401 CG1 ILE A 28 -8.668 2.004 -26.690 1.00 34.12 C ATOM 402 CG2 ILE A 28 -7.672 1.114 -28.847 1.00 13.31 C ATOM 403 CD1 ILE A 28 -8.830 0.612 -26.075 1.00 50.21 C ATOM 0 H ILE A 28 -6.775 3.443 -28.411 1.00 61.04 H new ATOM 0 HA ILE A 28 -9.347 3.255 -29.768 1.00 62.54 H new ATOM 0 HB ILE A 28 -9.731 1.450 -28.444 1.00 42.41 H new ATOM 0 HG12 ILE A 28 -7.698 2.417 -26.414 1.00 34.12 H new ATOM 0 HG13 ILE A 28 -9.427 2.675 -26.286 1.00 34.12 H new ATOM 0 HG21 ILE A 28 -7.665 0.118 -28.404 1.00 13.31 H new ATOM 0 HG22 ILE A 28 -7.843 1.032 -29.920 1.00 13.31 H new ATOM 0 HG23 ILE A 28 -6.712 1.598 -28.668 1.00 13.31 H new ATOM 0 HD11 ILE A 28 -8.740 0.680 -24.991 1.00 50.21 H new ATOM 0 HD12 ILE A 28 -9.811 0.212 -26.333 1.00 50.21 H new ATOM 0 HD13 ILE A 28 -8.055 -0.049 -26.463 1.00 50.21 H new ATOM 415 N LEU A 29 -8.894 5.244 -27.318 1.00 34.31 N ATOM 416 CA LEU A 29 -9.517 6.256 -26.482 1.00 55.13 C ATOM 417 C LEU A 29 -10.365 7.182 -27.357 1.00 1.31 C ATOM 418 O LEU A 29 -11.345 7.759 -26.888 1.00 40.24 O ATOM 419 CB LEU A 29 -8.462 6.990 -25.652 1.00 61.44 C ATOM 420 CG LEU A 29 -8.204 8.449 -26.033 1.00 73.14 C ATOM 421 CD1 LEU A 29 -9.127 9.390 -25.256 1.00 24.33 C ATOM 422 CD2 LEU A 29 -6.729 8.811 -25.850 1.00 12.21 C ATOM 0 H LEU A 29 -7.875 5.283 -27.347 1.00 34.31 H new ATOM 0 HA LEU A 29 -10.190 5.793 -25.761 1.00 55.13 H new ATOM 0 HB2 LEU A 29 -8.764 6.957 -24.605 1.00 61.44 H new ATOM 0 HB3 LEU A 29 -7.522 6.443 -25.730 1.00 61.44 H new ATOM 0 HG LEU A 29 -8.436 8.572 -27.091 1.00 73.14 H new ATOM 0 HD11 LEU A 29 -8.923 10.421 -25.546 1.00 24.33 H new ATOM 0 HD12 LEU A 29 -10.166 9.149 -25.481 1.00 24.33 H new ATOM 0 HD13 LEU A 29 -8.951 9.272 -24.187 1.00 24.33 H new ATOM 0 HD21 LEU A 29 -6.573 9.853 -26.128 1.00 12.21 H new ATOM 0 HD22 LEU A 29 -6.446 8.667 -24.807 1.00 12.21 H new ATOM 0 HD23 LEU A 29 -6.116 8.171 -26.484 1.00 12.21 H new ATOM 434 N LYS A 30 -9.956 7.296 -28.612 1.00 73.31 N ATOM 435 CA LYS A 30 -10.666 8.142 -29.557 1.00 22.14 C ATOM 436 C LYS A 30 -12.045 7.541 -29.837 1.00 44.11 C ATOM 437 O LYS A 30 -12.900 8.193 -30.435 1.00 64.41 O ATOM 438 CB LYS A 30 -9.824 8.363 -30.815 1.00 1.52 C ATOM 439 CG LYS A 30 -9.752 7.089 -31.658 1.00 73.20 C ATOM 440 CD LYS A 30 -10.708 7.166 -32.850 1.00 61.34 C ATOM 441 CE LYS A 30 -9.939 7.377 -34.156 1.00 53.33 C ATOM 442 NZ LYS A 30 -10.713 8.237 -35.080 1.00 11.04 N ATOM 0 H LYS A 30 -9.142 6.817 -28.997 1.00 73.31 H new ATOM 0 HA LYS A 30 -10.830 9.133 -29.133 1.00 22.14 H new ATOM 0 HB2 LYS A 30 -10.254 9.171 -31.407 1.00 1.52 H new ATOM 0 HB3 LYS A 30 -8.818 8.674 -30.533 1.00 1.52 H new ATOM 0 HG2 LYS A 30 -8.732 6.941 -32.014 1.00 73.20 H new ATOM 0 HG3 LYS A 30 -10.003 6.226 -31.041 1.00 73.20 H new ATOM 0 HD2 LYS A 30 -11.292 6.248 -32.912 1.00 61.34 H new ATOM 0 HD3 LYS A 30 -11.414 7.984 -32.703 1.00 61.34 H new ATOM 0 HE2 LYS A 30 -8.973 7.836 -33.946 1.00 53.33 H new ATOM 0 HE3 LYS A 30 -9.739 6.414 -34.627 1.00 53.33 H new ATOM 0 HZ1 LYS A 30 -10.177 8.370 -35.961 1.00 11.04 H new ATOM 0 HZ2 LYS A 30 -11.624 7.784 -35.294 1.00 11.04 H new ATOM 0 HZ3 LYS A 30 -10.882 9.161 -34.634 1.00 11.04 H new ATOM 455 N SER A 31 -12.218 6.305 -29.392 1.00 10.31 N ATOM 456 CA SER A 31 -13.478 5.609 -29.588 1.00 15.34 C ATOM 457 C SER A 31 -14.325 5.692 -28.315 1.00 64.35 C ATOM 458 O SER A 31 -15.508 5.358 -28.330 1.00 55.14 O ATOM 459 CB SER A 31 -13.246 4.148 -29.977 1.00 10.13 C ATOM 460 OG SER A 31 -13.697 3.249 -28.967 1.00 63.45 O ATOM 0 H SER A 31 -11.506 5.768 -28.896 1.00 10.31 H new ATOM 0 HA SER A 31 -14.013 6.093 -30.405 1.00 15.34 H new ATOM 0 HB2 SER A 31 -13.766 3.934 -30.911 1.00 10.13 H new ATOM 0 HB3 SER A 31 -12.184 3.985 -30.159 1.00 10.13 H new ATOM 0 HG SER A 31 -13.533 2.326 -29.253 1.00 63.45 H new ATOM 466 N ILE A 32 -13.684 6.138 -27.245 1.00 31.21 N ATOM 467 CA ILE A 32 -14.363 6.268 -25.967 1.00 10.21 C ATOM 468 C ILE A 32 -14.768 7.729 -25.756 1.00 71.52 C ATOM 469 O ILE A 32 -15.864 8.009 -25.273 1.00 21.12 O ATOM 470 CB ILE A 32 -13.497 5.701 -24.840 1.00 12.51 C ATOM 471 CG1 ILE A 32 -12.578 4.594 -25.359 1.00 21.11 C ATOM 472 CG2 ILE A 32 -14.362 5.228 -23.670 1.00 24.33 C ATOM 473 CD1 ILE A 32 -11.671 4.068 -24.245 1.00 23.41 C ATOM 0 H ILE A 32 -12.702 6.414 -27.237 1.00 31.21 H new ATOM 0 HA ILE A 32 -15.280 5.678 -25.961 1.00 10.21 H new ATOM 0 HB ILE A 32 -12.857 6.500 -24.465 1.00 12.51 H new ATOM 0 HG12 ILE A 32 -13.178 3.777 -25.761 1.00 21.11 H new ATOM 0 HG13 ILE A 32 -11.969 4.976 -26.179 1.00 21.11 H new ATOM 0 HG21 ILE A 32 -13.722 4.829 -22.882 1.00 24.33 H new ATOM 0 HG22 ILE A 32 -14.937 6.068 -23.280 1.00 24.33 H new ATOM 0 HG23 ILE A 32 -15.043 4.449 -24.013 1.00 24.33 H new ATOM 0 HD11 ILE A 32 -11.028 3.282 -24.640 1.00 23.41 H new ATOM 0 HD12 ILE A 32 -11.056 4.882 -23.862 1.00 23.41 H new ATOM 0 HD13 ILE A 32 -12.283 3.665 -23.438 1.00 23.41 H new ATOM 485 N ARG A 33 -13.862 8.620 -26.129 1.00 52.34 N ATOM 486 CA ARG A 33 -14.111 10.045 -25.987 1.00 74.24 C ATOM 487 C ARG A 33 -14.209 10.422 -24.508 1.00 20.33 C ATOM 488 O ARG A 33 -13.324 11.089 -23.974 1.00 31.32 O ATOM 489 CB ARG A 33 -15.405 10.451 -26.696 1.00 61.14 C ATOM 490 CG ARG A 33 -15.115 10.995 -28.097 1.00 31.12 C ATOM 491 CD ARG A 33 -14.241 12.249 -28.028 1.00 21.32 C ATOM 492 NE ARG A 33 -13.025 12.064 -28.852 1.00 13.13 N ATOM 493 CZ ARG A 33 -12.181 13.062 -29.189 1.00 23.23 C ATOM 494 NH1 ARG A 33 -12.413 14.326 -28.774 1.00 70.54 N ATOM 495 NH2 ARG A 33 -11.124 12.783 -29.930 1.00 13.25 N ATOM 0 H ARG A 33 -12.954 8.383 -26.529 1.00 52.34 H new ATOM 0 HA ARG A 33 -13.276 10.575 -26.446 1.00 74.24 H new ATOM 0 HB2 ARG A 33 -16.071 9.591 -26.767 1.00 61.14 H new ATOM 0 HB3 ARG A 33 -15.924 11.208 -26.108 1.00 61.14 H new ATOM 0 HG2 ARG A 33 -14.614 10.231 -28.691 1.00 31.12 H new ATOM 0 HG3 ARG A 33 -16.053 11.228 -28.602 1.00 31.12 H new ATOM 0 HD2 ARG A 33 -14.802 13.114 -28.382 1.00 21.32 H new ATOM 0 HD3 ARG A 33 -13.962 12.452 -26.994 1.00 21.32 H new ATOM 0 HE ARG A 33 -12.812 11.124 -29.186 1.00 13.13 H new ATOM 0 HH11 ARG A 33 -13.231 14.533 -28.201 1.00 70.54 H new ATOM 0 HH12 ARG A 33 -11.770 15.074 -29.033 1.00 70.54 H new ATOM 0 HH21 ARG A 33 -10.956 11.825 -30.238 1.00 13.25 H new ATOM 0 HH22 ARG A 33 -10.476 13.525 -30.194 1.00 13.25 H new TER 508 ARG A 33