USER MOD reduce.3.24.130724 H: found=0, std=0, add=265, rem=0, adj=5 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+ -128:sc= 0.0915 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= -3.17! C(o=-3.2!,f=-1.1!) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc= -7.61! C(o=-7.6!,f=-6.6!) 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= -1.59! K(o=-1.6!,f=-0.46) USER MOD Single : A 21 SER OG : rot 180:sc= -1.56 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 2.078 -0.950 0.997 1.00 44.31 N ATOM 2 CA PHE A 1 3.040 -0.475 0.017 1.00 42.04 C ATOM 3 C PHE A 1 3.953 -1.611 -0.451 1.00 0.45 C ATOM 4 O PHE A 1 3.958 -2.690 0.139 1.00 72.33 O ATOM 5 CB PHE A 1 3.889 0.595 0.705 1.00 42.50 C ATOM 6 CG PHE A 1 5.067 0.036 1.505 1.00 65.02 C ATOM 7 CD1 PHE A 1 6.205 -0.345 0.864 1.00 72.14 C ATOM 8 CD2 PHE A 1 4.978 -0.080 2.857 1.00 75.52 C ATOM 9 CE1 PHE A 1 7.298 -0.864 1.606 1.00 62.41 C ATOM 10 CE2 PHE A 1 6.071 -0.600 3.599 1.00 10.11 C ATOM 11 CZ PHE A 1 7.208 -0.981 2.958 1.00 43.11 C ATOM 0 H1 PHE A 1 1.119 -0.673 0.705 1.00 44.31 H new ATOM 0 H2 PHE A 1 2.134 -1.986 1.064 1.00 44.31 H new ATOM 0 H3 PHE A 1 2.291 -0.531 1.925 1.00 44.31 H new ATOM 0 HA PHE A 1 2.518 -0.081 -0.855 1.00 42.04 H new ATOM 0 HB2 PHE A 1 4.270 1.283 -0.050 1.00 42.50 H new ATOM 0 HB3 PHE A 1 3.252 1.175 1.373 1.00 42.50 H new ATOM 0 HD1 PHE A 1 6.277 -0.253 -0.210 1.00 72.14 H new ATOM 0 HD2 PHE A 1 4.075 0.224 3.367 1.00 75.52 H new ATOM 0 HE1 PHE A 1 8.201 -1.166 1.097 1.00 62.41 H new ATOM 0 HE2 PHE A 1 5.999 -0.693 4.673 1.00 10.11 H new ATOM 0 HZ PHE A 1 8.040 -1.376 3.522 1.00 43.11 H new ATOM 21 N ASN A 2 4.704 -1.328 -1.505 1.00 12.20 N ATOM 22 CA ASN A 2 5.619 -2.312 -2.058 1.00 34.01 C ATOM 23 C ASN A 2 6.450 -1.663 -3.167 1.00 32.24 C ATOM 24 O ASN A 2 7.658 -1.879 -3.249 1.00 31.03 O ATOM 25 CB ASN A 2 4.857 -3.491 -2.667 1.00 21.14 C ATOM 26 CG ASN A 2 5.666 -4.146 -3.789 1.00 15.44 C ATOM 27 OD1 ASN A 2 6.305 -5.170 -3.612 1.00 55.14 O ATOM 28 ND2 ASN A 2 5.602 -3.499 -4.949 1.00 42.10 N ATOM 0 H ASN A 2 4.698 -0.431 -1.991 1.00 12.20 H new ATOM 0 HA ASN A 2 6.256 -2.672 -1.250 1.00 34.01 H new ATOM 0 HB2 ASN A 2 4.640 -4.227 -1.893 1.00 21.14 H new ATOM 0 HB3 ASN A 2 3.899 -3.147 -3.057 1.00 21.14 H new ATOM 0 HD21 ASN A 2 6.107 -3.855 -5.760 1.00 42.10 H new ATOM 0 HD22 ASN A 2 5.048 -2.646 -5.028 1.00 42.10 H new ATOM 35 N ARG A 3 5.769 -0.881 -3.992 1.00 23.13 N ATOM 36 CA ARG A 3 6.430 -0.199 -5.092 1.00 32.42 C ATOM 37 C ARG A 3 7.224 1.001 -4.572 1.00 60.24 C ATOM 38 O ARG A 3 8.090 1.525 -5.270 1.00 44.34 O ATOM 39 CB ARG A 3 5.415 0.281 -6.131 1.00 73.20 C ATOM 40 CG ARG A 3 4.692 1.541 -5.650 1.00 44.15 C ATOM 41 CD ARG A 3 3.188 1.444 -5.912 1.00 31.05 C ATOM 42 NE ARG A 3 2.943 0.906 -7.269 1.00 4.54 N ATOM 43 CZ ARG A 3 1.755 0.972 -7.906 1.00 21.12 C ATOM 44 NH1 ARG A 3 0.691 1.553 -7.313 1.00 12.52 N ATOM 45 NH2 ARG A 3 1.649 0.459 -9.117 1.00 63.43 N ATOM 0 H ARG A 3 4.767 -0.705 -3.921 1.00 23.13 H new ATOM 0 HA ARG A 3 7.108 -0.910 -5.564 1.00 32.42 H new ATOM 0 HB2 ARG A 3 5.923 0.486 -7.073 1.00 73.20 H new ATOM 0 HB3 ARG A 3 4.688 -0.508 -6.326 1.00 73.20 H new ATOM 0 HG2 ARG A 3 4.871 1.683 -4.584 1.00 44.15 H new ATOM 0 HG3 ARG A 3 5.098 2.415 -6.160 1.00 44.15 H new ATOM 0 HD2 ARG A 3 2.722 0.799 -5.167 1.00 31.05 H new ATOM 0 HD3 ARG A 3 2.729 2.428 -5.814 1.00 31.05 H new ATOM 0 HE ARG A 3 3.721 0.457 -7.753 1.00 4.54 H new ATOM 0 HH11 ARG A 3 0.781 1.947 -6.376 1.00 12.52 H new ATOM 0 HH12 ARG A 3 -0.203 1.599 -7.802 1.00 12.52 H new ATOM 0 HH21 ARG A 3 2.458 0.021 -9.558 1.00 63.43 H new ATOM 0 HH22 ARG A 3 0.758 0.501 -9.612 1.00 63.43 H new ATOM 58 N GLY A 4 6.900 1.400 -3.351 1.00 43.44 N ATOM 59 CA GLY A 4 7.573 2.529 -2.730 1.00 72.14 C ATOM 60 C GLY A 4 6.872 3.844 -3.078 1.00 31.21 C ATOM 61 O GLY A 4 6.629 4.672 -2.202 1.00 0.32 O ATOM 0 H GLY A 4 6.181 0.962 -2.775 1.00 43.44 H new ATOM 0 HA2 GLY A 4 7.590 2.397 -1.648 1.00 72.14 H new ATOM 0 HA3 GLY A 4 8.610 2.567 -3.063 1.00 72.14 H new ATOM 65 N GLY A 5 6.567 3.994 -4.358 1.00 55.23 N ATOM 66 CA GLY A 5 5.898 5.194 -4.832 1.00 43.35 C ATOM 67 C GLY A 5 6.900 6.173 -5.448 1.00 5.13 C ATOM 68 O GLY A 5 6.608 7.359 -5.590 1.00 13.30 O ATOM 0 H GLY A 5 6.771 3.305 -5.082 1.00 55.23 H new ATOM 0 HA2 GLY A 5 5.144 4.926 -5.572 1.00 43.35 H new ATOM 0 HA3 GLY A 5 5.376 5.675 -4.005 1.00 43.35 H new ATOM 72 N TYR A 6 8.062 5.640 -5.796 1.00 62.11 N ATOM 73 CA TYR A 6 9.109 6.452 -6.393 1.00 23.32 C ATOM 74 C TYR A 6 10.101 5.583 -7.170 1.00 54.11 C ATOM 75 O TYR A 6 11.258 5.962 -7.346 1.00 74.42 O ATOM 76 CB TYR A 6 9.840 7.120 -5.227 1.00 44.30 C ATOM 77 CG TYR A 6 10.931 6.252 -4.596 1.00 53.02 C ATOM 78 CD1 TYR A 6 10.613 5.012 -4.080 1.00 11.11 C ATOM 79 CD2 TYR A 6 12.232 6.709 -4.543 1.00 60.53 C ATOM 80 CE1 TYR A 6 11.639 4.195 -3.486 1.00 61.21 C ATOM 81 CE2 TYR A 6 13.258 5.891 -3.950 1.00 2.24 C ATOM 82 CZ TYR A 6 12.911 4.675 -3.450 1.00 61.33 C ATOM 83 OH TYR A 6 13.880 3.903 -2.890 1.00 23.25 O ATOM 0 H TYR A 6 8.302 4.656 -5.676 1.00 62.11 H new ATOM 0 HA TYR A 6 8.684 7.174 -7.090 1.00 23.32 H new ATOM 0 HB2 TYR A 6 10.288 8.050 -5.577 1.00 44.30 H new ATOM 0 HB3 TYR A 6 9.113 7.385 -4.460 1.00 44.30 H new ATOM 0 HD1 TYR A 6 9.595 4.655 -4.122 1.00 11.11 H new ATOM 0 HD2 TYR A 6 12.481 7.680 -4.946 1.00 60.53 H new ATOM 0 HE1 TYR A 6 11.404 3.223 -3.078 1.00 61.21 H new ATOM 0 HE2 TYR A 6 14.280 6.236 -3.903 1.00 2.24 H new ATOM 0 HH TYR A 6 14.739 4.372 -2.935 1.00 23.25 H new ATOM 93 N ASN A 7 9.611 4.435 -7.614 1.00 53.13 N ATOM 94 CA ASN A 7 10.439 3.510 -8.369 1.00 20.24 C ATOM 95 C ASN A 7 10.915 4.190 -9.654 1.00 21.41 C ATOM 96 O ASN A 7 10.647 5.370 -9.872 1.00 3.22 O ATOM 97 CB ASN A 7 9.651 2.258 -8.760 1.00 11.22 C ATOM 98 CG ASN A 7 9.524 1.298 -7.576 1.00 22.43 C ATOM 99 OD1 ASN A 7 10.374 1.232 -6.702 1.00 53.15 O ATOM 100 ND2 ASN A 7 8.419 0.558 -7.595 1.00 60.00 N ATOM 0 H ASN A 7 8.651 4.124 -7.465 1.00 53.13 H new ATOM 0 HA ASN A 7 11.283 3.223 -7.741 1.00 20.24 H new ATOM 0 HB2 ASN A 7 8.659 2.543 -9.110 1.00 11.22 H new ATOM 0 HB3 ASN A 7 10.149 1.755 -9.589 1.00 11.22 H new ATOM 0 HD21 ASN A 7 8.242 -0.114 -6.848 1.00 60.00 H new ATOM 0 HD22 ASN A 7 7.748 0.663 -8.356 1.00 60.00 H new ATOM 107 N PHE A 8 11.613 3.415 -10.472 1.00 10.25 N ATOM 108 CA PHE A 8 12.129 3.928 -11.729 1.00 71.25 C ATOM 109 C PHE A 8 12.663 2.793 -12.606 1.00 53.33 C ATOM 110 O PHE A 8 13.641 2.971 -13.331 1.00 14.42 O ATOM 111 CB PHE A 8 13.279 4.877 -11.388 1.00 23.45 C ATOM 112 CG PHE A 8 14.057 4.484 -10.130 1.00 21.31 C ATOM 113 CD1 PHE A 8 14.765 3.323 -10.103 1.00 63.02 C ATOM 114 CD2 PHE A 8 14.040 5.295 -9.039 1.00 3.34 C ATOM 115 CE1 PHE A 8 15.487 2.958 -8.936 1.00 42.30 C ATOM 116 CE2 PHE A 8 14.762 4.931 -7.871 1.00 61.45 C ATOM 117 CZ PHE A 8 15.470 3.770 -7.845 1.00 24.12 C ATOM 0 H PHE A 8 11.833 2.436 -10.288 1.00 10.25 H new ATOM 0 HA PHE A 8 11.335 4.433 -12.278 1.00 71.25 H new ATOM 0 HB2 PHE A 8 13.968 4.915 -12.232 1.00 23.45 H new ATOM 0 HB3 PHE A 8 12.880 5.883 -11.257 1.00 23.45 H new ATOM 0 HD1 PHE A 8 14.778 2.678 -10.969 1.00 63.02 H new ATOM 0 HD2 PHE A 8 13.477 6.217 -9.060 1.00 3.34 H new ATOM 0 HE1 PHE A 8 16.049 2.036 -8.915 1.00 42.30 H new ATOM 0 HE2 PHE A 8 14.749 5.576 -7.005 1.00 61.45 H new ATOM 0 HZ PHE A 8 16.019 3.493 -6.957 1.00 24.12 H new ATOM 127 N GLY A 9 11.997 1.652 -12.512 1.00 32.23 N ATOM 128 CA GLY A 9 12.392 0.488 -13.287 1.00 40.33 C ATOM 129 C GLY A 9 11.183 -0.392 -13.610 1.00 71.01 C ATOM 130 O GLY A 9 10.929 -0.702 -14.773 1.00 51.31 O ATOM 0 H GLY A 9 11.186 1.508 -11.911 1.00 32.23 H new ATOM 0 HA2 GLY A 9 12.871 0.808 -14.212 1.00 40.33 H new ATOM 0 HA3 GLY A 9 13.129 -0.091 -12.730 1.00 40.33 H new ATOM 134 N LYS A 10 10.469 -0.770 -12.560 1.00 24.21 N ATOM 135 CA LYS A 10 9.293 -1.609 -12.717 1.00 1.21 C ATOM 136 C LYS A 10 8.218 -0.834 -13.482 1.00 22.00 C ATOM 137 O LYS A 10 7.729 -1.297 -14.511 1.00 53.42 O ATOM 138 CB LYS A 10 8.824 -2.133 -11.358 1.00 74.14 C ATOM 139 CG LYS A 10 10.009 -2.355 -10.417 1.00 21.40 C ATOM 140 CD LYS A 10 10.030 -1.305 -9.304 1.00 62.34 C ATOM 141 CE LYS A 10 11.423 -0.690 -9.157 1.00 63.15 C ATOM 142 NZ LYS A 10 12.232 -1.464 -8.190 1.00 24.41 N ATOM 0 H LYS A 10 10.682 -0.511 -11.597 1.00 24.21 H new ATOM 0 HA LYS A 10 9.531 -2.493 -13.309 1.00 1.21 H new ATOM 0 HB2 LYS A 10 8.128 -1.423 -10.911 1.00 74.14 H new ATOM 0 HB3 LYS A 10 8.282 -3.069 -11.493 1.00 74.14 H new ATOM 0 HG2 LYS A 10 9.949 -3.352 -9.980 1.00 21.40 H new ATOM 0 HG3 LYS A 10 10.940 -2.310 -10.982 1.00 21.40 H new ATOM 0 HD2 LYS A 10 9.304 -0.522 -9.524 1.00 62.34 H new ATOM 0 HD3 LYS A 10 9.729 -1.763 -8.362 1.00 62.34 H new ATOM 0 HE2 LYS A 10 11.923 -0.671 -10.126 1.00 63.15 H new ATOM 0 HE3 LYS A 10 11.337 0.344 -8.823 1.00 63.15 H new ATOM 0 HZ1 LYS A 10 13.174 -1.033 -8.102 1.00 24.41 H new ATOM 0 HZ2 LYS A 10 11.762 -1.460 -7.262 1.00 24.41 H new ATOM 0 HZ3 LYS A 10 12.329 -2.444 -8.525 1.00 24.41 H new ATOM 155 N SER A 11 7.883 0.332 -12.949 1.00 74.25 N ATOM 156 CA SER A 11 6.875 1.175 -13.569 1.00 53.23 C ATOM 157 C SER A 11 7.231 1.424 -15.036 1.00 74.04 C ATOM 158 O SER A 11 6.345 1.550 -15.881 1.00 3.21 O ATOM 159 CB SER A 11 6.735 2.504 -12.824 1.00 52.23 C ATOM 160 OG SER A 11 5.379 2.789 -12.491 1.00 52.32 O ATOM 0 H SER A 11 8.291 0.712 -12.095 1.00 74.25 H new ATOM 0 HA SER A 11 5.917 0.657 -13.517 1.00 53.23 H new ATOM 0 HB2 SER A 11 7.333 2.474 -11.913 1.00 52.23 H new ATOM 0 HB3 SER A 11 7.134 3.309 -13.441 1.00 52.23 H new ATOM 0 HG SER A 11 5.332 3.644 -12.015 1.00 52.32 H new ATOM 166 N VAL A 12 8.529 1.487 -15.295 1.00 14.14 N ATOM 167 CA VAL A 12 9.013 1.718 -16.645 1.00 14.50 C ATOM 168 C VAL A 12 8.578 0.559 -17.544 1.00 21.24 C ATOM 169 O VAL A 12 8.298 0.756 -18.725 1.00 64.51 O ATOM 170 CB VAL A 12 10.528 1.927 -16.629 1.00 43.01 C ATOM 171 CG1 VAL A 12 11.146 1.561 -17.980 1.00 23.11 C ATOM 172 CG2 VAL A 12 10.880 3.363 -16.236 1.00 51.34 C ATOM 0 H VAL A 12 9.261 1.382 -14.592 1.00 14.14 H new ATOM 0 HA VAL A 12 8.577 2.629 -17.056 1.00 14.50 H new ATOM 0 HB VAL A 12 10.950 1.261 -15.876 1.00 43.01 H new ATOM 0 HG11 VAL A 12 12.224 1.719 -17.942 1.00 23.11 H new ATOM 0 HG12 VAL A 12 10.940 0.514 -18.203 1.00 23.11 H new ATOM 0 HG13 VAL A 12 10.715 2.189 -18.759 1.00 23.11 H new ATOM 0 HG21 VAL A 12 11.963 3.484 -16.232 1.00 51.34 H new ATOM 0 HG22 VAL A 12 10.440 4.055 -16.954 1.00 51.34 H new ATOM 0 HG23 VAL A 12 10.488 3.574 -15.241 1.00 51.34 H new ATOM 182 N ARG A 13 8.535 -0.624 -16.949 1.00 62.41 N ATOM 183 CA ARG A 13 8.140 -1.816 -17.681 1.00 55.30 C ATOM 184 C ARG A 13 6.658 -1.742 -18.054 1.00 53.55 C ATOM 185 O ARG A 13 6.251 -2.246 -19.100 1.00 24.30 O ATOM 186 CB ARG A 13 8.387 -3.078 -16.853 1.00 62.32 C ATOM 187 CG ARG A 13 9.834 -3.135 -16.359 1.00 62.02 C ATOM 188 CD ARG A 13 10.799 -2.621 -17.429 1.00 44.13 C ATOM 189 NE ARG A 13 10.576 -3.343 -18.702 1.00 31.15 N ATOM 190 CZ ARG A 13 10.885 -4.642 -18.899 1.00 31.44 C ATOM 191 NH1 ARG A 13 11.434 -5.374 -17.906 1.00 62.30 N ATOM 192 NH2 ARG A 13 10.642 -5.187 -20.077 1.00 0.55 N ATOM 0 H ARG A 13 8.767 -0.783 -15.969 1.00 62.41 H new ATOM 0 HA ARG A 13 8.745 -1.865 -18.586 1.00 55.30 H new ATOM 0 HB2 ARG A 13 7.707 -3.097 -16.001 1.00 62.32 H new ATOM 0 HB3 ARG A 13 8.169 -3.960 -17.455 1.00 62.32 H new ATOM 0 HG2 ARG A 13 9.937 -2.537 -15.454 1.00 62.02 H new ATOM 0 HG3 ARG A 13 10.092 -4.161 -16.094 1.00 62.02 H new ATOM 0 HD2 ARG A 13 10.653 -1.551 -17.578 1.00 44.13 H new ATOM 0 HD3 ARG A 13 11.828 -2.759 -17.099 1.00 44.13 H new ATOM 0 HE ARG A 13 10.163 -2.827 -19.479 1.00 31.15 H new ATOM 0 HH11 ARG A 13 11.618 -4.946 -16.999 1.00 62.30 H new ATOM 0 HH12 ARG A 13 11.665 -6.355 -18.063 1.00 62.30 H new ATOM 0 HH21 ARG A 13 10.227 -4.627 -20.822 1.00 0.55 H new ATOM 0 HH22 ARG A 13 10.870 -6.167 -20.242 1.00 0.55 H new ATOM 205 N HIS A 14 5.891 -1.108 -17.179 1.00 73.23 N ATOM 206 CA HIS A 14 4.463 -0.961 -17.404 1.00 74.50 C ATOM 207 C HIS A 14 4.217 0.122 -18.456 1.00 3.32 C ATOM 208 O HIS A 14 3.388 -0.049 -19.347 1.00 74.25 O ATOM 209 CB HIS A 14 3.731 -0.688 -16.089 1.00 10.44 C ATOM 210 CG HIS A 14 2.517 0.199 -16.234 1.00 72.51 C ATOM 211 ND1 HIS A 14 1.226 -0.259 -16.034 1.00 62.41 N ATOM 212 CD2 HIS A 14 2.411 1.519 -16.561 1.00 32.43 C ATOM 213 CE1 HIS A 14 0.389 0.748 -16.235 1.00 23.21 C ATOM 214 NE2 HIS A 14 1.125 1.849 -16.562 1.00 23.34 N ATOM 0 H HIS A 14 6.232 -0.690 -16.313 1.00 73.23 H new ATOM 0 HA HIS A 14 4.055 -1.894 -17.792 1.00 74.50 H new ATOM 0 HB2 HIS A 14 3.424 -1.638 -15.652 1.00 10.44 H new ATOM 0 HB3 HIS A 14 4.425 -0.224 -15.388 1.00 10.44 H new ATOM 0 HD2 HIS A 14 3.234 2.183 -16.782 1.00 32.43 H new ATOM 0 HE1 HIS A 14 -0.687 0.705 -16.154 1.00 23.21 H new ATOM 0 HE2 HIS A 14 0.749 2.774 -16.773 1.00 23.34 H new ATOM 222 N VAL A 15 4.954 1.214 -18.317 1.00 4.45 N ATOM 223 CA VAL A 15 4.828 2.326 -19.243 1.00 55.25 C ATOM 224 C VAL A 15 5.344 1.899 -20.619 1.00 54.10 C ATOM 225 O VAL A 15 4.827 2.340 -21.644 1.00 54.13 O ATOM 226 CB VAL A 15 5.551 3.555 -18.689 1.00 13.22 C ATOM 227 CG1 VAL A 15 6.971 3.655 -19.249 1.00 31.32 C ATOM 228 CG2 VAL A 15 4.758 4.833 -18.973 1.00 61.54 C ATOM 0 H VAL A 15 5.641 1.352 -17.576 1.00 4.45 H new ATOM 0 HA VAL A 15 3.782 2.607 -19.360 1.00 55.25 H new ATOM 0 HB VAL A 15 5.625 3.440 -17.608 1.00 13.22 H new ATOM 0 HG11 VAL A 15 7.462 4.537 -18.839 1.00 31.32 H new ATOM 0 HG12 VAL A 15 7.535 2.764 -18.972 1.00 31.32 H new ATOM 0 HG13 VAL A 15 6.929 3.735 -20.335 1.00 31.32 H new ATOM 0 HG21 VAL A 15 5.294 5.691 -18.569 1.00 61.54 H new ATOM 0 HG22 VAL A 15 4.637 4.955 -20.049 1.00 61.54 H new ATOM 0 HG23 VAL A 15 3.777 4.764 -18.503 1.00 61.54 H new ATOM 238 N VAL A 16 6.357 1.046 -20.597 1.00 32.33 N ATOM 239 CA VAL A 16 6.949 0.554 -21.829 1.00 55.14 C ATOM 240 C VAL A 16 5.851 -0.035 -22.718 1.00 13.53 C ATOM 241 O VAL A 16 5.796 0.249 -23.913 1.00 63.35 O ATOM 242 CB VAL A 16 8.062 -0.446 -21.513 1.00 30.42 C ATOM 243 CG1 VAL A 16 8.290 -1.402 -22.685 1.00 72.34 C ATOM 244 CG2 VAL A 16 9.357 0.276 -21.134 1.00 74.23 C ATOM 0 H VAL A 16 6.783 0.683 -19.745 1.00 32.33 H new ATOM 0 HA VAL A 16 7.412 1.371 -22.382 1.00 55.14 H new ATOM 0 HB VAL A 16 7.745 -1.039 -20.655 1.00 30.42 H new ATOM 0 HG11 VAL A 16 9.087 -2.102 -22.434 1.00 72.34 H new ATOM 0 HG12 VAL A 16 7.372 -1.954 -22.888 1.00 72.34 H new ATOM 0 HG13 VAL A 16 8.574 -0.832 -23.570 1.00 72.34 H new ATOM 0 HG21 VAL A 16 10.132 -0.458 -20.914 1.00 74.23 H new ATOM 0 HG22 VAL A 16 9.679 0.906 -21.963 1.00 74.23 H new ATOM 0 HG23 VAL A 16 9.184 0.895 -20.254 1.00 74.23 H new ATOM 254 N ASP A 17 5.003 -0.843 -22.099 1.00 10.03 N ATOM 255 CA ASP A 17 3.910 -1.474 -22.818 1.00 73.03 C ATOM 256 C ASP A 17 2.947 -0.397 -23.321 1.00 14.41 C ATOM 257 O ASP A 17 2.233 -0.605 -24.301 1.00 33.24 O ATOM 258 CB ASP A 17 3.126 -2.422 -21.908 1.00 53.43 C ATOM 259 CG ASP A 17 2.183 -3.384 -22.635 1.00 5.44 C ATOM 260 OD1 ASP A 17 2.486 -3.863 -23.737 1.00 50.04 O ATOM 261 OD2 ASP A 17 1.082 -3.641 -22.014 1.00 3.13 O ATOM 0 H ASP A 17 5.051 -1.075 -21.107 1.00 10.03 H new ATOM 0 HA ASP A 17 4.334 -2.040 -23.647 1.00 73.03 H new ATOM 0 HB2 ASP A 17 3.834 -3.006 -21.320 1.00 53.43 H new ATOM 0 HB3 ASP A 17 2.543 -1.827 -21.205 1.00 53.43 H new ATOM 267 N ALA A 18 2.958 0.732 -22.627 1.00 53.12 N ATOM 268 CA ALA A 18 2.094 1.843 -22.991 1.00 21.41 C ATOM 269 C ALA A 18 2.500 2.369 -24.369 1.00 62.31 C ATOM 270 O ALA A 18 1.646 2.748 -25.169 1.00 2.31 O ATOM 271 CB ALA A 18 2.168 2.922 -21.910 1.00 2.54 C ATOM 0 H ALA A 18 3.551 0.901 -21.815 1.00 53.12 H new ATOM 0 HA ALA A 18 1.056 1.517 -23.056 1.00 21.41 H new ATOM 0 HB1 ALA A 18 1.520 3.755 -22.183 1.00 2.54 H new ATOM 0 HB2 ALA A 18 1.842 2.505 -20.957 1.00 2.54 H new ATOM 0 HB3 ALA A 18 3.195 3.276 -21.819 1.00 2.54 H new ATOM 277 N ILE A 19 3.804 2.374 -24.604 1.00 40.34 N ATOM 278 CA ILE A 19 4.334 2.848 -25.872 1.00 33.40 C ATOM 279 C ILE A 19 3.653 2.095 -27.017 1.00 51.00 C ATOM 280 O ILE A 19 3.498 2.633 -28.112 1.00 71.34 O ATOM 281 CB ILE A 19 5.860 2.742 -25.888 1.00 31.50 C ATOM 282 CG1 ILE A 19 6.467 3.383 -24.639 1.00 2.23 C ATOM 283 CG2 ILE A 19 6.437 3.334 -27.175 1.00 42.11 C ATOM 284 CD1 ILE A 19 5.762 4.698 -24.300 1.00 1.02 C ATOM 0 H ILE A 19 4.509 2.058 -23.938 1.00 40.34 H new ATOM 0 HA ILE A 19 4.110 3.906 -26.007 1.00 33.40 H new ATOM 0 HB ILE A 19 6.130 1.686 -25.871 1.00 31.50 H new ATOM 0 HG12 ILE A 19 6.386 2.695 -23.797 1.00 2.23 H new ATOM 0 HG13 ILE A 19 7.529 3.567 -24.800 1.00 2.23 H new ATOM 0 HG21 ILE A 19 7.523 3.246 -27.161 1.00 42.11 H new ATOM 0 HG22 ILE A 19 6.040 2.793 -28.034 1.00 42.11 H new ATOM 0 HG23 ILE A 19 6.159 4.385 -27.248 1.00 42.11 H new ATOM 0 HD11 ILE A 19 6.213 5.133 -23.408 1.00 1.02 H new ATOM 0 HD12 ILE A 19 5.866 5.392 -25.134 1.00 1.02 H new ATOM 0 HD13 ILE A 19 4.705 4.507 -24.116 1.00 1.02 H new ATOM 296 N GLY A 20 3.265 0.863 -26.724 1.00 73.54 N ATOM 297 CA GLY A 20 2.604 0.031 -27.716 1.00 22.42 C ATOM 298 C GLY A 20 1.101 -0.059 -27.443 1.00 23.11 C ATOM 299 O GLY A 20 0.325 -0.409 -28.331 1.00 24.02 O ATOM 0 H GLY A 20 3.395 0.420 -25.814 1.00 73.54 H new ATOM 0 HA2 GLY A 20 2.772 0.442 -28.711 1.00 22.42 H new ATOM 0 HA3 GLY A 20 3.039 -0.968 -27.706 1.00 22.42 H new ATOM 303 N SER A 21 0.736 0.263 -26.211 1.00 12.21 N ATOM 304 CA SER A 21 -0.660 0.223 -25.810 1.00 12.42 C ATOM 305 C SER A 21 -1.413 1.408 -26.418 1.00 54.21 C ATOM 306 O SER A 21 -2.642 1.452 -26.382 1.00 71.22 O ATOM 307 CB SER A 21 -0.796 0.234 -24.286 1.00 30.00 C ATOM 308 OG SER A 21 -1.950 -0.478 -23.848 1.00 21.32 O ATOM 0 H SER A 21 1.383 0.553 -25.477 1.00 12.21 H new ATOM 0 HA SER A 21 -1.096 -0.705 -26.180 1.00 12.42 H new ATOM 0 HB2 SER A 21 0.094 -0.209 -23.839 1.00 30.00 H new ATOM 0 HB3 SER A 21 -0.850 1.264 -23.934 1.00 30.00 H new ATOM 0 HG SER A 21 -2.000 -0.449 -22.870 1.00 21.32 H new ATOM 314 N VAL A 22 -0.645 2.340 -26.963 1.00 0.04 N ATOM 315 CA VAL A 22 -1.224 3.522 -27.578 1.00 11.11 C ATOM 316 C VAL A 22 -2.164 3.095 -28.707 1.00 42.44 C ATOM 317 O VAL A 22 -3.190 3.733 -28.941 1.00 24.15 O ATOM 318 CB VAL A 22 -0.114 4.465 -28.048 1.00 32.25 C ATOM 319 CG1 VAL A 22 -0.693 5.652 -28.820 1.00 33.31 C ATOM 320 CG2 VAL A 22 0.737 4.940 -26.868 1.00 53.32 C ATOM 0 H VAL A 22 0.374 2.300 -26.991 1.00 0.04 H new ATOM 0 HA VAL A 22 -1.818 4.078 -26.853 1.00 11.11 H new ATOM 0 HB VAL A 22 0.534 3.909 -28.726 1.00 32.25 H new ATOM 0 HG11 VAL A 22 0.117 6.306 -29.142 1.00 33.31 H new ATOM 0 HG12 VAL A 22 -1.235 5.289 -29.693 1.00 33.31 H new ATOM 0 HG13 VAL A 22 -1.374 6.208 -28.175 1.00 33.31 H new ATOM 0 HG21 VAL A 22 1.518 5.609 -27.229 1.00 53.32 H new ATOM 0 HG22 VAL A 22 0.106 5.471 -26.155 1.00 53.32 H new ATOM 0 HG23 VAL A 22 1.193 4.079 -26.379 1.00 53.32 H new ATOM 330 N ALA A 23 -1.780 2.020 -29.379 1.00 21.21 N ATOM 331 CA ALA A 23 -2.575 1.500 -30.478 1.00 53.44 C ATOM 332 C ALA A 23 -3.833 0.831 -29.921 1.00 11.24 C ATOM 333 O ALA A 23 -4.793 0.597 -30.654 1.00 24.45 O ATOM 334 CB ALA A 23 -1.726 0.541 -31.314 1.00 71.32 C ATOM 0 H ALA A 23 -0.928 1.494 -29.183 1.00 21.21 H new ATOM 0 HA ALA A 23 -2.896 2.308 -31.135 1.00 53.44 H new ATOM 0 HB1 ALA A 23 -2.323 0.151 -32.138 1.00 71.32 H new ATOM 0 HB2 ALA A 23 -0.861 1.073 -31.712 1.00 71.32 H new ATOM 0 HB3 ALA A 23 -1.388 -0.285 -30.689 1.00 71.32 H new ATOM 340 N GLY A 24 -3.788 0.543 -28.628 1.00 63.13 N ATOM 341 CA GLY A 24 -4.912 -0.095 -27.964 1.00 3.42 C ATOM 342 C GLY A 24 -5.581 0.864 -26.977 1.00 1.11 C ATOM 343 O GLY A 24 -6.354 0.439 -26.120 1.00 24.44 O ATOM 0 H GLY A 24 -2.991 0.740 -28.023 1.00 63.13 H new ATOM 0 HA2 GLY A 24 -5.639 -0.424 -28.707 1.00 3.42 H new ATOM 0 HA3 GLY A 24 -4.570 -0.985 -27.437 1.00 3.42 H new ATOM 347 N ILE A 25 -5.260 2.140 -27.131 1.00 4.24 N ATOM 348 CA ILE A 25 -5.820 3.163 -26.264 1.00 20.23 C ATOM 349 C ILE A 25 -6.056 4.439 -27.074 1.00 20.01 C ATOM 350 O ILE A 25 -7.185 4.919 -27.168 1.00 64.00 O ATOM 351 CB ILE A 25 -4.931 3.370 -25.035 1.00 75.34 C ATOM 352 CG1 ILE A 25 -5.173 2.276 -23.993 1.00 73.33 C ATOM 353 CG2 ILE A 25 -5.122 4.771 -24.451 1.00 30.44 C ATOM 354 CD1 ILE A 25 -3.934 1.394 -23.826 1.00 71.04 C ATOM 0 H ILE A 25 -4.619 2.489 -27.843 1.00 4.24 H new ATOM 0 HA ILE A 25 -6.789 2.846 -25.878 1.00 20.23 H new ATOM 0 HB ILE A 25 -3.890 3.291 -25.348 1.00 75.34 H new ATOM 0 HG12 ILE A 25 -5.432 2.731 -23.037 1.00 73.33 H new ATOM 0 HG13 ILE A 25 -6.022 1.663 -24.295 1.00 73.33 H new ATOM 0 HG21 ILE A 25 -4.479 4.892 -23.579 1.00 30.44 H new ATOM 0 HG22 ILE A 25 -4.860 5.517 -25.201 1.00 30.44 H new ATOM 0 HG23 ILE A 25 -6.163 4.903 -24.156 1.00 30.44 H new ATOM 0 HD11 ILE A 25 -4.133 0.625 -23.080 1.00 71.04 H new ATOM 0 HD12 ILE A 25 -3.692 0.922 -24.778 1.00 71.04 H new ATOM 0 HD13 ILE A 25 -3.093 2.006 -23.501 1.00 71.04 H new ATOM 366 N ARG A 26 -4.973 4.952 -27.638 1.00 42.24 N ATOM 367 CA ARG A 26 -5.048 6.163 -28.438 1.00 3.44 C ATOM 368 C ARG A 26 -5.772 5.885 -29.756 1.00 52.32 C ATOM 369 O ARG A 26 -6.590 6.689 -30.200 1.00 55.14 O ATOM 370 CB ARG A 26 -3.652 6.713 -28.737 1.00 24.02 C ATOM 371 CG ARG A 26 -3.592 8.222 -28.489 1.00 64.32 C ATOM 372 CD ARG A 26 -3.808 8.543 -27.009 1.00 44.40 C ATOM 373 NE ARG A 26 -4.562 9.809 -26.871 1.00 44.31 N ATOM 374 CZ ARG A 26 -4.032 11.033 -27.082 1.00 64.23 C ATOM 375 NH1 ARG A 26 -2.738 11.166 -27.444 1.00 23.02 N ATOM 376 NH2 ARG A 26 -4.798 12.097 -26.930 1.00 45.11 N ATOM 0 H ARG A 26 -4.038 4.551 -27.557 1.00 42.24 H new ATOM 0 HA ARG A 26 -5.603 6.905 -27.864 1.00 3.44 H new ATOM 0 HB2 ARG A 26 -2.917 6.208 -28.110 1.00 24.02 H new ATOM 0 HB3 ARG A 26 -3.388 6.500 -29.773 1.00 24.02 H new ATOM 0 HG2 ARG A 26 -2.625 8.609 -28.811 1.00 64.32 H new ATOM 0 HG3 ARG A 26 -4.352 8.723 -29.088 1.00 64.32 H new ATOM 0 HD2 ARG A 26 -4.353 7.731 -26.528 1.00 44.40 H new ATOM 0 HD3 ARG A 26 -2.847 8.625 -26.502 1.00 44.40 H new ATOM 0 HE ARG A 26 -5.544 9.754 -26.599 1.00 44.31 H new ATOM 0 HH11 ARG A 26 -2.153 10.338 -27.560 1.00 23.02 H new ATOM 0 HH12 ARG A 26 -2.345 12.094 -27.602 1.00 23.02 H new ATOM 0 HH21 ARG A 26 -5.775 11.987 -26.657 1.00 45.11 H new ATOM 0 HH22 ARG A 26 -4.413 13.029 -27.085 1.00 45.11 H new ATOM 389 N GLY A 27 -5.445 4.744 -30.345 1.00 13.40 N ATOM 390 CA GLY A 27 -6.055 4.350 -31.604 1.00 3.32 C ATOM 391 C GLY A 27 -7.547 4.065 -31.425 1.00 32.01 C ATOM 392 O GLY A 27 -8.361 4.449 -32.263 1.00 52.13 O ATOM 0 H GLY A 27 -4.766 4.080 -29.974 1.00 13.40 H new ATOM 0 HA2 GLY A 27 -5.918 5.141 -32.342 1.00 3.32 H new ATOM 0 HA3 GLY A 27 -5.556 3.462 -31.992 1.00 3.32 H new ATOM 396 N ILE A 28 -7.861 3.393 -30.327 1.00 12.43 N ATOM 397 CA ILE A 28 -9.241 3.052 -30.027 1.00 55.21 C ATOM 398 C ILE A 28 -9.960 4.287 -29.479 1.00 71.21 C ATOM 399 O ILE A 28 -11.189 4.332 -29.449 1.00 41.04 O ATOM 400 CB ILE A 28 -9.304 1.840 -29.095 1.00 45.32 C ATOM 401 CG1 ILE A 28 -9.285 2.275 -27.628 1.00 43.13 C ATOM 402 CG2 ILE A 28 -8.184 0.846 -29.413 1.00 15.51 C ATOM 403 CD1 ILE A 28 -10.705 2.377 -27.068 1.00 41.14 C ATOM 0 H ILE A 28 -7.183 3.076 -29.634 1.00 12.43 H new ATOM 0 HA ILE A 28 -9.765 2.754 -30.935 1.00 55.21 H new ATOM 0 HB ILE A 28 -10.250 1.326 -29.266 1.00 45.32 H new ATOM 0 HG12 ILE A 28 -8.709 1.560 -27.040 1.00 43.13 H new ATOM 0 HG13 ILE A 28 -8.784 3.239 -27.537 1.00 43.13 H new ATOM 0 HG21 ILE A 28 -8.251 -0.006 -28.737 1.00 15.51 H new ATOM 0 HG22 ILE A 28 -8.285 0.501 -30.442 1.00 15.51 H new ATOM 0 HG23 ILE A 28 -7.218 1.334 -29.287 1.00 15.51 H new ATOM 0 HD11 ILE A 28 -10.663 2.688 -26.024 1.00 41.14 H new ATOM 0 HD12 ILE A 28 -11.271 3.110 -27.642 1.00 41.14 H new ATOM 0 HD13 ILE A 28 -11.194 1.406 -27.138 1.00 41.14 H new ATOM 415 N LEU A 29 -9.163 5.258 -29.059 1.00 40.20 N ATOM 416 CA LEU A 29 -9.708 6.490 -28.514 1.00 24.03 C ATOM 417 C LEU A 29 -10.569 7.176 -29.576 1.00 31.21 C ATOM 418 O LEU A 29 -11.542 7.853 -29.249 1.00 34.14 O ATOM 419 CB LEU A 29 -8.586 7.375 -27.966 1.00 14.12 C ATOM 420 CG LEU A 29 -8.704 7.772 -26.493 1.00 20.54 C ATOM 421 CD1 LEU A 29 -8.561 6.550 -25.583 1.00 71.30 C ATOM 422 CD2 LEU A 29 -7.700 8.870 -26.139 1.00 3.24 C ATOM 0 H LEU A 29 -8.144 5.217 -29.085 1.00 40.20 H new ATOM 0 HA LEU A 29 -10.358 6.277 -27.666 1.00 24.03 H new ATOM 0 HB2 LEU A 29 -7.638 6.855 -28.107 1.00 14.12 H new ATOM 0 HB3 LEU A 29 -8.543 8.285 -28.565 1.00 14.12 H new ATOM 0 HG LEU A 29 -9.701 8.182 -26.328 1.00 20.54 H new ATOM 0 HD11 LEU A 29 -8.649 6.860 -24.542 1.00 71.30 H new ATOM 0 HD12 LEU A 29 -9.346 5.830 -25.815 1.00 71.30 H new ATOM 0 HD13 LEU A 29 -7.587 6.089 -25.744 1.00 71.30 H new ATOM 0 HD21 LEU A 29 -7.805 9.134 -25.087 1.00 3.24 H new ATOM 0 HD22 LEU A 29 -6.688 8.511 -26.324 1.00 3.24 H new ATOM 0 HD23 LEU A 29 -7.891 9.749 -26.754 1.00 3.24 H new ATOM 434 N LYS A 30 -10.180 6.977 -30.827 1.00 21.34 N ATOM 435 CA LYS A 30 -10.904 7.568 -31.939 1.00 35.50 C ATOM 436 C LYS A 30 -12.308 6.963 -32.006 1.00 73.13 C ATOM 437 O LYS A 30 -13.171 7.465 -32.725 1.00 43.50 O ATOM 438 CB LYS A 30 -10.108 7.419 -33.237 1.00 21.22 C ATOM 439 CG LYS A 30 -10.071 5.959 -33.693 1.00 61.21 C ATOM 440 CD LYS A 30 -11.093 5.705 -34.803 1.00 11.21 C ATOM 441 CE LYS A 30 -10.405 5.583 -36.164 1.00 73.31 C ATOM 442 NZ LYS A 30 -11.266 6.139 -37.232 1.00 13.23 N ATOM 0 H LYS A 30 -9.372 6.414 -31.095 1.00 21.34 H new ATOM 0 HA LYS A 30 -11.025 8.641 -31.788 1.00 35.50 H new ATOM 0 HB2 LYS A 30 -10.557 8.036 -34.016 1.00 21.22 H new ATOM 0 HB3 LYS A 30 -9.091 7.783 -33.088 1.00 21.22 H new ATOM 0 HG2 LYS A 30 -9.072 5.711 -34.050 1.00 61.21 H new ATOM 0 HG3 LYS A 30 -10.278 5.305 -32.846 1.00 61.21 H new ATOM 0 HD2 LYS A 30 -11.648 4.792 -34.589 1.00 11.21 H new ATOM 0 HD3 LYS A 30 -11.817 6.519 -34.829 1.00 11.21 H new ATOM 0 HE2 LYS A 30 -9.452 6.112 -36.145 1.00 73.31 H new ATOM 0 HE3 LYS A 30 -10.185 4.536 -36.374 1.00 73.31 H new ATOM 0 HZ1 LYS A 30 -10.784 6.048 -38.149 1.00 13.23 H new ATOM 0 HZ2 LYS A 30 -12.165 5.617 -37.260 1.00 13.23 H new ATOM 0 HZ3 LYS A 30 -11.455 7.143 -37.038 1.00 13.23 H new ATOM 455 N SER A 31 -12.494 5.893 -31.248 1.00 21.43 N ATOM 456 CA SER A 31 -13.778 5.214 -31.212 1.00 53.11 C ATOM 457 C SER A 31 -14.568 5.653 -29.978 1.00 12.35 C ATOM 458 O SER A 31 -15.757 5.359 -29.859 1.00 44.14 O ATOM 459 CB SER A 31 -13.599 3.695 -31.215 1.00 23.35 C ATOM 460 OG SER A 31 -14.557 3.045 -32.045 1.00 51.25 O ATOM 0 H SER A 31 -11.776 5.479 -30.653 1.00 21.43 H new ATOM 0 HA SER A 31 -14.334 5.488 -32.108 1.00 53.11 H new ATOM 0 HB2 SER A 31 -12.595 3.449 -31.560 1.00 23.35 H new ATOM 0 HB3 SER A 31 -13.687 3.318 -30.196 1.00 23.35 H new ATOM 0 HG SER A 31 -14.407 2.077 -32.021 1.00 51.25 H new ATOM 466 N ILE A 32 -13.876 6.350 -29.089 1.00 3.42 N ATOM 467 CA ILE A 32 -14.498 6.833 -27.867 1.00 45.14 C ATOM 468 C ILE A 32 -14.869 8.308 -28.038 1.00 30.53 C ATOM 469 O ILE A 32 -15.932 8.739 -27.594 1.00 73.32 O ATOM 470 CB ILE A 32 -13.594 6.562 -26.663 1.00 31.32 C ATOM 471 CG1 ILE A 32 -12.729 5.321 -26.895 1.00 2.42 C ATOM 472 CG2 ILE A 32 -14.414 6.456 -25.375 1.00 40.03 C ATOM 473 CD1 ILE A 32 -13.588 4.057 -26.954 1.00 21.33 C ATOM 0 H ILE A 32 -12.890 6.592 -29.190 1.00 3.42 H new ATOM 0 HA ILE A 32 -15.423 6.292 -27.670 1.00 45.14 H new ATOM 0 HB ILE A 32 -12.918 7.409 -26.546 1.00 31.32 H new ATOM 0 HG12 ILE A 32 -12.172 5.430 -27.826 1.00 2.42 H new ATOM 0 HG13 ILE A 32 -11.996 5.230 -26.094 1.00 2.42 H new ATOM 0 HG21 ILE A 32 -13.748 6.263 -24.534 1.00 40.03 H new ATOM 0 HG22 ILE A 32 -14.950 7.390 -25.207 1.00 40.03 H new ATOM 0 HG23 ILE A 32 -15.130 5.639 -25.466 1.00 40.03 H new ATOM 0 HD11 ILE A 32 -12.949 3.190 -27.120 1.00 21.33 H new ATOM 0 HD12 ILE A 32 -14.125 3.938 -26.013 1.00 21.33 H new ATOM 0 HD13 ILE A 32 -14.304 4.141 -27.772 1.00 21.33 H new ATOM 485 N ARG A 33 -13.972 9.040 -28.681 1.00 51.31 N ATOM 486 CA ARG A 33 -14.192 10.457 -28.915 1.00 54.35 C ATOM 487 C ARG A 33 -14.198 11.220 -27.589 1.00 53.01 C ATOM 488 O ARG A 33 -15.090 11.030 -26.764 1.00 12.03 O ATOM 489 CB ARG A 33 -15.519 10.696 -29.639 1.00 50.22 C ATOM 490 CG ARG A 33 -15.302 10.846 -31.146 1.00 72.23 C ATOM 491 CD ARG A 33 -14.200 11.864 -31.443 1.00 42.42 C ATOM 492 NE ARG A 33 -14.243 12.961 -30.450 1.00 71.12 N ATOM 493 CZ ARG A 33 -13.941 14.247 -30.729 1.00 32.10 C ATOM 494 NH1 ARG A 33 -13.571 14.609 -31.976 1.00 24.14 N ATOM 495 NH2 ARG A 33 -14.014 15.145 -29.764 1.00 64.13 N ATOM 0 H ARG A 33 -13.091 8.679 -29.047 1.00 51.31 H new ATOM 0 HA ARG A 33 -13.378 10.819 -29.543 1.00 54.35 H new ATOM 0 HB2 ARG A 33 -16.197 9.865 -29.447 1.00 50.22 H new ATOM 0 HB3 ARG A 33 -15.996 11.594 -29.245 1.00 50.22 H new ATOM 0 HG2 ARG A 33 -15.036 9.881 -31.576 1.00 72.23 H new ATOM 0 HG3 ARG A 33 -16.231 11.161 -31.621 1.00 72.23 H new ATOM 0 HD2 ARG A 33 -13.226 11.376 -31.416 1.00 42.42 H new ATOM 0 HD3 ARG A 33 -14.327 12.267 -32.448 1.00 42.42 H new ATOM 0 HE ARG A 33 -14.518 12.731 -29.495 1.00 71.12 H new ATOM 0 HH11 ARG A 33 -13.518 13.909 -32.716 1.00 24.14 H new ATOM 0 HH12 ARG A 33 -13.345 15.583 -32.178 1.00 24.14 H new ATOM 0 HH21 ARG A 33 -14.295 14.863 -28.825 1.00 64.13 H new ATOM 0 HH22 ARG A 33 -13.789 16.121 -29.957 1.00 64.13 H new TER 508 ARG A 33