USER MOD reduce.3.24.130724 H: found=0, std=0, add=265, rem=0, adj=7 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 Set 1.1: A 6 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 10 LYS NZ :NH3+ -145:sc= 0.106! (180deg=-2.48!) USER MOD Single : A 1 PHE N :NH3+ 165:sc= -1.05! (180deg=-1.73!) USER MOD Single : A 2 ASN : amide:sc= -5.6! C(o=-5.6!,f=-6.4!) USER MOD Single : A 7 ASN : amide:sc= -6.41! C(o=-6.4!,f=-18!) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 14 HIS :FLIP no HD1:sc= -0.607 F(o=-2!,f=-0.61) USER MOD Single : A 21 SER OG : rot 28:sc= 0.383 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 4.727 0.226 -10.435 1.00 40.20 N ATOM 2 CA PHE A 1 3.765 -0.383 -11.338 1.00 44.22 C ATOM 3 C PHE A 1 2.338 -0.218 -10.812 1.00 22.44 C ATOM 4 O PHE A 1 1.427 -0.920 -11.248 1.00 21.21 O ATOM 5 CB PHE A 1 4.101 -1.874 -11.410 1.00 2.30 C ATOM 6 CG PHE A 1 4.778 -2.420 -10.151 1.00 63.34 C ATOM 7 CD1 PHE A 1 4.488 -1.885 -8.936 1.00 13.53 C ATOM 8 CD2 PHE A 1 5.671 -3.442 -10.249 1.00 33.04 C ATOM 9 CE1 PHE A 1 5.116 -2.392 -7.768 1.00 10.13 C ATOM 10 CE2 PHE A 1 6.299 -3.949 -9.081 1.00 31.44 C ATOM 11 CZ PHE A 1 6.008 -3.414 -7.865 1.00 4.42 C ATOM 0 H1 PHE A 1 5.683 -0.110 -10.669 1.00 40.20 H new ATOM 0 H2 PHE A 1 4.690 1.261 -10.534 1.00 40.20 H new ATOM 0 H3 PHE A 1 4.498 -0.036 -9.455 1.00 40.20 H new ATOM 0 HA PHE A 1 3.820 0.094 -12.317 1.00 44.22 H new ATOM 0 HB2 PHE A 1 3.184 -2.435 -11.589 1.00 2.30 H new ATOM 0 HB3 PHE A 1 4.753 -2.048 -12.266 1.00 2.30 H new ATOM 0 HD1 PHE A 1 3.779 -1.074 -8.859 1.00 13.53 H new ATOM 0 HD2 PHE A 1 5.902 -3.867 -11.215 1.00 33.04 H new ATOM 0 HE1 PHE A 1 4.885 -1.966 -6.803 1.00 10.13 H new ATOM 0 HE2 PHE A 1 7.008 -4.760 -9.158 1.00 31.44 H new ATOM 0 HZ PHE A 1 6.485 -3.801 -6.977 1.00 4.42 H new ATOM 21 N ASN A 2 2.188 0.713 -9.881 1.00 65.12 N ATOM 22 CA ASN A 2 0.888 0.978 -9.291 1.00 13.44 C ATOM 23 C ASN A 2 0.847 2.422 -8.786 1.00 55.32 C ATOM 24 O ASN A 2 -0.122 3.141 -9.028 1.00 71.33 O ATOM 25 CB ASN A 2 0.624 0.054 -8.100 1.00 43.12 C ATOM 26 CG ASN A 2 1.510 -1.192 -8.167 1.00 10.31 C ATOM 27 OD1 ASN A 2 1.460 -1.971 -9.104 1.00 33.40 O ATOM 28 ND2 ASN A 2 2.322 -1.335 -7.123 1.00 53.11 N ATOM 0 H ASN A 2 2.946 1.293 -9.521 1.00 65.12 H new ATOM 0 HA ASN A 2 0.130 0.807 -10.055 1.00 13.44 H new ATOM 0 HB2 ASN A 2 0.814 0.590 -7.170 1.00 43.12 H new ATOM 0 HB3 ASN A 2 -0.425 -0.241 -8.090 1.00 43.12 H new ATOM 0 HD21 ASN A 2 2.953 -2.135 -7.074 1.00 53.11 H new ATOM 0 HD22 ASN A 2 2.313 -0.645 -6.372 1.00 53.11 H new ATOM 35 N ARG A 3 1.910 2.804 -8.094 1.00 52.12 N ATOM 36 CA ARG A 3 2.007 4.149 -7.554 1.00 4.34 C ATOM 37 C ARG A 3 2.590 5.101 -8.600 1.00 44.01 C ATOM 38 O ARG A 3 2.180 6.257 -8.690 1.00 73.14 O ATOM 39 CB ARG A 3 2.887 4.178 -6.302 1.00 62.52 C ATOM 40 CG ARG A 3 2.741 2.883 -5.500 1.00 21.10 C ATOM 41 CD ARG A 3 1.268 2.558 -5.246 1.00 54.51 C ATOM 42 NE ARG A 3 0.582 3.736 -4.669 1.00 2.41 N ATOM 43 CZ ARG A 3 0.501 3.992 -3.346 1.00 5.02 C ATOM 44 NH1 ARG A 3 1.064 3.153 -2.450 1.00 71.13 N ATOM 45 NH2 ARG A 3 -0.136 5.075 -2.941 1.00 22.21 N ATOM 0 H ARG A 3 2.712 2.205 -7.895 1.00 52.12 H new ATOM 0 HA ARG A 3 1.001 4.471 -7.285 1.00 4.34 H new ATOM 0 HB2 ARG A 3 3.929 4.317 -6.589 1.00 62.52 H new ATOM 0 HB3 ARG A 3 2.612 5.029 -5.679 1.00 62.52 H new ATOM 0 HG2 ARG A 3 3.210 2.061 -6.041 1.00 21.10 H new ATOM 0 HG3 ARG A 3 3.265 2.979 -4.549 1.00 21.10 H new ATOM 0 HD2 ARG A 3 0.785 2.266 -6.179 1.00 54.51 H new ATOM 0 HD3 ARG A 3 1.186 1.710 -4.566 1.00 54.51 H new ATOM 0 HE ARG A 3 0.143 4.396 -5.311 1.00 2.41 H new ATOM 0 HH11 ARG A 3 1.555 2.319 -2.771 1.00 71.13 H new ATOM 0 HH12 ARG A 3 0.998 3.354 -1.452 1.00 71.13 H new ATOM 0 HH21 ARG A 3 -0.558 5.704 -3.624 1.00 22.21 H new ATOM 0 HH22 ARG A 3 -0.206 5.283 -1.945 1.00 22.21 H new ATOM 58 N GLY A 4 3.539 4.580 -9.365 1.00 34.44 N ATOM 59 CA GLY A 4 4.182 5.369 -10.401 1.00 62.54 C ATOM 60 C GLY A 4 4.364 6.820 -9.953 1.00 22.15 C ATOM 61 O GLY A 4 4.182 7.745 -10.742 1.00 43.13 O ATOM 0 H GLY A 4 3.878 3.621 -9.287 1.00 34.44 H new ATOM 0 HA2 GLY A 4 5.152 4.935 -10.644 1.00 62.54 H new ATOM 0 HA3 GLY A 4 3.583 5.338 -11.311 1.00 62.54 H new ATOM 65 N GLY A 5 4.721 6.974 -8.686 1.00 22.41 N ATOM 66 CA GLY A 5 4.930 8.297 -8.123 1.00 31.45 C ATOM 67 C GLY A 5 6.177 8.325 -7.236 1.00 71.24 C ATOM 68 O GLY A 5 6.406 9.292 -6.511 1.00 72.43 O ATOM 0 H GLY A 5 4.871 6.204 -8.034 1.00 22.41 H new ATOM 0 HA2 GLY A 5 5.035 9.026 -8.927 1.00 31.45 H new ATOM 0 HA3 GLY A 5 4.057 8.590 -7.539 1.00 31.45 H new ATOM 72 N TYR A 6 6.950 7.253 -7.324 1.00 64.21 N ATOM 73 CA TYR A 6 8.168 7.142 -6.539 1.00 44.44 C ATOM 74 C TYR A 6 9.136 6.138 -7.167 1.00 62.54 C ATOM 75 O TYR A 6 10.341 6.379 -7.218 1.00 3.02 O ATOM 76 CB TYR A 6 7.739 6.628 -5.164 1.00 73.42 C ATOM 77 CG TYR A 6 7.453 5.125 -5.124 1.00 11.12 C ATOM 78 CD1 TYR A 6 6.311 4.624 -5.715 1.00 62.32 C ATOM 79 CD2 TYR A 6 8.337 4.271 -4.496 1.00 12.12 C ATOM 80 CE1 TYR A 6 6.042 3.210 -5.677 1.00 62.51 C ATOM 81 CE2 TYR A 6 8.068 2.857 -4.458 1.00 32.03 C ATOM 82 CZ TYR A 6 6.934 2.396 -5.050 1.00 72.02 C ATOM 83 OH TYR A 6 6.680 1.060 -5.014 1.00 53.42 O ATOM 0 H TYR A 6 6.757 6.453 -7.927 1.00 64.21 H new ATOM 0 HA TYR A 6 8.678 8.104 -6.485 1.00 44.44 H new ATOM 0 HB2 TYR A 6 8.521 6.858 -4.441 1.00 73.42 H new ATOM 0 HB3 TYR A 6 6.845 7.166 -4.849 1.00 73.42 H new ATOM 0 HD1 TYR A 6 5.619 5.292 -6.206 1.00 62.32 H new ATOM 0 HD2 TYR A 6 9.230 4.663 -4.033 1.00 12.12 H new ATOM 0 HE1 TYR A 6 5.152 2.805 -6.136 1.00 62.51 H new ATOM 0 HE2 TYR A 6 8.752 2.178 -3.970 1.00 32.03 H new ATOM 0 HH TYR A 6 7.402 0.602 -4.535 1.00 53.42 H new ATOM 93 N ASN A 7 8.573 5.032 -7.631 1.00 35.45 N ATOM 94 CA ASN A 7 9.371 3.989 -8.253 1.00 55.02 C ATOM 95 C ASN A 7 10.087 4.564 -9.477 1.00 25.34 C ATOM 96 O ASN A 7 9.909 5.733 -9.813 1.00 14.32 O ATOM 97 CB ASN A 7 8.491 2.829 -8.723 1.00 30.54 C ATOM 98 CG ASN A 7 7.879 3.124 -10.093 1.00 70.14 C ATOM 99 OD1 ASN A 7 7.818 2.278 -10.970 1.00 75.40 O ATOM 100 ND2 ASN A 7 7.431 4.369 -10.229 1.00 21.21 N ATOM 0 H ASN A 7 7.573 4.835 -7.589 1.00 35.45 H new ATOM 0 HA ASN A 7 10.085 3.624 -7.514 1.00 55.02 H new ATOM 0 HB2 ASN A 7 9.084 1.916 -8.775 1.00 30.54 H new ATOM 0 HB3 ASN A 7 7.697 2.653 -7.997 1.00 30.54 H new ATOM 0 HD21 ASN A 7 7.006 4.665 -11.108 1.00 21.21 H new ATOM 0 HD22 ASN A 7 7.513 5.028 -9.455 1.00 21.21 H new ATOM 107 N PHE A 8 10.884 3.715 -10.109 1.00 30.40 N ATOM 108 CA PHE A 8 11.629 4.123 -11.288 1.00 13.32 C ATOM 109 C PHE A 8 12.293 2.921 -11.961 1.00 20.40 C ATOM 110 O PHE A 8 13.444 3.001 -12.389 1.00 15.24 O ATOM 111 CB PHE A 8 12.714 5.093 -10.817 1.00 3.11 C ATOM 112 CG PHE A 8 13.270 4.778 -9.427 1.00 20.33 C ATOM 113 CD1 PHE A 8 13.350 3.488 -9.003 1.00 65.11 C ATOM 114 CD2 PHE A 8 13.684 5.787 -8.615 1.00 14.34 C ATOM 115 CE1 PHE A 8 13.866 3.195 -7.713 1.00 3.21 C ATOM 116 CE2 PHE A 8 14.199 5.495 -7.324 1.00 64.55 C ATOM 117 CZ PHE A 8 14.280 4.205 -6.901 1.00 31.32 C ATOM 0 H PHE A 8 11.030 2.746 -9.827 1.00 30.40 H new ATOM 0 HA PHE A 8 10.957 4.584 -12.012 1.00 13.32 H new ATOM 0 HB2 PHE A 8 13.533 5.082 -11.536 1.00 3.11 H new ATOM 0 HB3 PHE A 8 12.306 6.104 -10.813 1.00 3.11 H new ATOM 0 HD1 PHE A 8 13.021 2.686 -9.648 1.00 65.11 H new ATOM 0 HD2 PHE A 8 13.621 6.811 -8.952 1.00 14.34 H new ATOM 0 HE1 PHE A 8 13.930 2.171 -7.377 1.00 3.21 H new ATOM 0 HE2 PHE A 8 14.526 6.297 -6.679 1.00 64.55 H new ATOM 0 HZ PHE A 8 14.673 3.982 -5.920 1.00 31.32 H new ATOM 127 N GLY A 9 11.540 1.833 -12.034 1.00 52.11 N ATOM 128 CA GLY A 9 12.041 0.615 -12.648 1.00 41.30 C ATOM 129 C GLY A 9 10.890 -0.297 -13.076 1.00 51.03 C ATOM 130 O GLY A 9 10.797 -0.680 -14.242 1.00 1.15 O ATOM 0 H GLY A 9 10.586 1.770 -11.678 1.00 52.11 H new ATOM 0 HA2 GLY A 9 12.653 0.866 -13.515 1.00 41.30 H new ATOM 0 HA3 GLY A 9 12.685 0.088 -11.945 1.00 41.30 H new ATOM 134 N LYS A 10 10.042 -0.619 -12.111 1.00 14.22 N ATOM 135 CA LYS A 10 8.900 -1.479 -12.373 1.00 42.13 C ATOM 136 C LYS A 10 7.941 -0.768 -13.330 1.00 71.11 C ATOM 137 O LYS A 10 7.600 -1.303 -14.384 1.00 35.23 O ATOM 138 CB LYS A 10 8.247 -1.918 -11.061 1.00 42.12 C ATOM 139 CG LYS A 10 9.289 -2.054 -9.949 1.00 21.30 C ATOM 140 CD LYS A 10 9.172 -0.906 -8.944 1.00 61.34 C ATOM 141 CE LYS A 10 7.841 -0.968 -8.194 1.00 35.35 C ATOM 142 NZ LYS A 10 7.987 -1.744 -6.942 1.00 21.42 N ATOM 0 H LYS A 10 10.123 -0.300 -11.146 1.00 14.22 H new ATOM 0 HA LYS A 10 9.220 -2.397 -12.865 1.00 42.13 H new ATOM 0 HB2 LYS A 10 7.489 -1.192 -10.767 1.00 42.12 H new ATOM 0 HB3 LYS A 10 7.737 -2.871 -11.205 1.00 42.12 H new ATOM 0 HG2 LYS A 10 9.156 -3.006 -9.436 1.00 21.30 H new ATOM 0 HG3 LYS A 10 10.289 -2.062 -10.382 1.00 21.30 H new ATOM 0 HD2 LYS A 10 9.997 -0.955 -8.233 1.00 61.34 H new ATOM 0 HD3 LYS A 10 9.256 0.048 -9.465 1.00 61.34 H new ATOM 0 HE2 LYS A 10 7.498 0.041 -7.965 1.00 35.35 H new ATOM 0 HE3 LYS A 10 7.081 -1.427 -8.827 1.00 35.35 H new ATOM 0 HZ1 LYS A 10 7.112 -2.274 -6.758 1.00 21.42 H new ATOM 0 HZ2 LYS A 10 8.781 -2.409 -7.036 1.00 21.42 H new ATOM 0 HZ3 LYS A 10 8.171 -1.095 -6.151 1.00 21.42 H new ATOM 155 N SER A 11 7.533 0.427 -12.929 1.00 31.23 N ATOM 156 CA SER A 11 6.620 1.216 -13.737 1.00 54.42 C ATOM 157 C SER A 11 7.175 1.370 -15.155 1.00 10.44 C ATOM 158 O SER A 11 6.415 1.433 -16.120 1.00 31.44 O ATOM 159 CB SER A 11 6.376 2.591 -13.110 1.00 65.33 C ATOM 160 OG SER A 11 5.509 3.394 -13.906 1.00 3.43 O ATOM 0 H SER A 11 7.818 0.868 -12.055 1.00 31.23 H new ATOM 0 HA SER A 11 5.665 0.693 -13.782 1.00 54.42 H new ATOM 0 HB2 SER A 11 5.944 2.465 -12.117 1.00 65.33 H new ATOM 0 HB3 SER A 11 7.329 3.105 -12.980 1.00 65.33 H new ATOM 0 HG SER A 11 5.377 4.262 -13.472 1.00 3.43 H new ATOM 166 N VAL A 12 8.496 1.427 -15.235 1.00 42.31 N ATOM 167 CA VAL A 12 9.162 1.573 -16.518 1.00 62.23 C ATOM 168 C VAL A 12 8.862 0.349 -17.386 1.00 34.23 C ATOM 169 O VAL A 12 8.748 0.461 -18.605 1.00 61.43 O ATOM 170 CB VAL A 12 10.660 1.803 -16.307 1.00 61.33 C ATOM 171 CG1 VAL A 12 11.461 1.353 -17.530 1.00 65.25 C ATOM 172 CG2 VAL A 12 10.948 3.267 -15.971 1.00 50.44 C ATOM 0 H VAL A 12 9.123 1.375 -14.432 1.00 42.31 H new ATOM 0 HA VAL A 12 8.784 2.448 -17.047 1.00 62.23 H new ATOM 0 HB VAL A 12 10.976 1.197 -15.458 1.00 61.33 H new ATOM 0 HG11 VAL A 12 12.522 1.527 -17.354 1.00 65.25 H new ATOM 0 HG12 VAL A 12 11.292 0.290 -17.705 1.00 65.25 H new ATOM 0 HG13 VAL A 12 11.140 1.920 -18.404 1.00 65.25 H new ATOM 0 HG21 VAL A 12 12.020 3.403 -15.826 1.00 50.44 H new ATOM 0 HG22 VAL A 12 10.609 3.902 -16.790 1.00 50.44 H new ATOM 0 HG23 VAL A 12 10.421 3.541 -15.057 1.00 50.44 H new ATOM 182 N ARG A 13 8.741 -0.792 -16.722 1.00 43.32 N ATOM 183 CA ARG A 13 8.456 -2.035 -17.417 1.00 61.44 C ATOM 184 C ARG A 13 7.039 -2.008 -17.994 1.00 63.23 C ATOM 185 O ARG A 13 6.788 -2.570 -19.059 1.00 41.35 O ATOM 186 CB ARG A 13 8.594 -3.235 -16.478 1.00 70.33 C ATOM 187 CG ARG A 13 9.960 -3.237 -15.788 1.00 74.53 C ATOM 188 CD ARG A 13 11.060 -2.781 -16.749 1.00 12.14 C ATOM 189 NE ARG A 13 11.019 -3.591 -17.987 1.00 0.33 N ATOM 190 CZ ARG A 13 11.361 -4.895 -18.050 1.00 22.15 C ATOM 191 NH1 ARG A 13 11.773 -5.549 -16.943 1.00 22.51 N ATOM 192 NH2 ARG A 13 11.287 -5.521 -19.209 1.00 70.13 N ATOM 0 H ARG A 13 8.835 -0.881 -15.710 1.00 43.32 H new ATOM 0 HA ARG A 13 9.179 -2.136 -18.226 1.00 61.44 H new ATOM 0 HB2 ARG A 13 7.804 -3.207 -15.728 1.00 70.33 H new ATOM 0 HB3 ARG A 13 8.466 -4.159 -17.042 1.00 70.33 H new ATOM 0 HG2 ARG A 13 9.934 -2.578 -14.920 1.00 74.53 H new ATOM 0 HG3 ARG A 13 10.185 -4.239 -15.421 1.00 74.53 H new ATOM 0 HD2 ARG A 13 10.929 -1.726 -16.990 1.00 12.14 H new ATOM 0 HD3 ARG A 13 12.035 -2.880 -16.272 1.00 12.14 H new ATOM 0 HE ARG A 13 10.713 -3.135 -18.847 1.00 0.33 H new ATOM 0 HH11 ARG A 13 11.827 -5.057 -16.051 1.00 22.51 H new ATOM 0 HH12 ARG A 13 12.030 -6.535 -16.999 1.00 22.51 H new ATOM 0 HH21 ARG A 13 10.975 -5.019 -20.041 1.00 70.13 H new ATOM 0 HH22 ARG A 13 11.542 -6.507 -19.274 1.00 70.13 H new ATOM 205 N HIS A 14 6.150 -1.349 -17.265 1.00 64.43 N ATOM 206 CA HIS A 14 4.765 -1.242 -17.691 1.00 44.34 C ATOM 207 C HIS A 14 4.653 -0.210 -18.815 1.00 50.33 C ATOM 208 O HIS A 14 3.955 -0.436 -19.803 1.00 4.50 O ATOM 209 CB HIS A 14 3.855 -0.926 -16.503 1.00 54.13 C ATOM 210 CG HIS A 14 2.659 -0.074 -16.856 1.00 35.13 C ATOM 211 ND1 HIS A 14 2.581 1.210 -17.310 1.00 22.13 N flip ATOM 212 CD2 HIS A 14 1.356 -0.531 -16.753 1.00 24.15 C flip ATOM 213 CE1 HIS A 14 1.302 1.520 -17.476 1.00 24.10 C flip ATOM 214 NE2 HIS A 14 0.540 0.442 -17.131 1.00 74.22 N flip ATOM 0 H HIS A 14 6.362 -0.884 -16.382 1.00 64.43 H new ATOM 0 HA HIS A 14 4.427 -2.199 -18.088 1.00 44.34 H new ATOM 0 HB2 HIS A 14 3.506 -1.862 -16.067 1.00 54.13 H new ATOM 0 HB3 HIS A 14 4.439 -0.416 -15.737 1.00 54.13 H new ATOM 0 HD2 HIS A 14 1.056 -1.514 -16.421 1.00 24.15 H new ATOM 0 HE1 HIS A 14 0.926 2.470 -17.827 1.00 24.10 H new ATOM 0 HE2 HIS A 14 -0.478 0.394 -17.159 1.00 74.22 H new ATOM 222 N VAL A 15 5.350 0.901 -18.627 1.00 64.02 N ATOM 223 CA VAL A 15 5.338 1.969 -19.613 1.00 32.51 C ATOM 224 C VAL A 15 6.049 1.494 -20.882 1.00 34.42 C ATOM 225 O VAL A 15 5.663 1.865 -21.989 1.00 70.44 O ATOM 226 CB VAL A 15 5.957 3.236 -19.020 1.00 32.23 C ATOM 227 CG1 VAL A 15 7.450 3.319 -19.342 1.00 50.43 C ATOM 228 CG2 VAL A 15 5.220 4.485 -19.506 1.00 12.31 C ATOM 0 H VAL A 15 5.927 1.085 -17.806 1.00 64.02 H new ATOM 0 HA VAL A 15 4.314 2.222 -19.889 1.00 32.51 H new ATOM 0 HB VAL A 15 5.851 3.186 -17.936 1.00 32.23 H new ATOM 0 HG11 VAL A 15 7.866 4.229 -18.909 1.00 50.43 H new ATOM 0 HG12 VAL A 15 7.961 2.452 -18.924 1.00 50.43 H new ATOM 0 HG13 VAL A 15 7.589 3.336 -20.423 1.00 50.43 H new ATOM 0 HG21 VAL A 15 5.680 5.372 -19.070 1.00 12.31 H new ATOM 0 HG22 VAL A 15 5.280 4.543 -20.593 1.00 12.31 H new ATOM 0 HG23 VAL A 15 4.175 4.432 -19.202 1.00 12.31 H new ATOM 238 N VAL A 16 7.074 0.680 -20.678 1.00 21.10 N ATOM 239 CA VAL A 16 7.842 0.150 -21.792 1.00 2.41 C ATOM 240 C VAL A 16 6.898 -0.553 -22.768 1.00 74.44 C ATOM 241 O VAL A 16 7.040 -0.417 -23.982 1.00 70.15 O ATOM 242 CB VAL A 16 8.955 -0.763 -21.273 1.00 52.02 C ATOM 243 CG1 VAL A 16 9.384 -1.767 -22.345 1.00 21.02 C ATOM 244 CG2 VAL A 16 10.149 0.055 -20.778 1.00 22.11 C ATOM 0 H VAL A 16 7.391 0.374 -19.758 1.00 21.10 H new ATOM 0 HA VAL A 16 8.331 0.957 -22.338 1.00 2.41 H new ATOM 0 HB VAL A 16 8.561 -1.325 -20.426 1.00 52.02 H new ATOM 0 HG11 VAL A 16 10.176 -2.404 -21.951 1.00 21.02 H new ATOM 0 HG12 VAL A 16 8.531 -2.383 -22.629 1.00 21.02 H new ATOM 0 HG13 VAL A 16 9.751 -1.230 -23.220 1.00 21.02 H new ATOM 0 HG21 VAL A 16 10.926 -0.618 -20.415 1.00 22.11 H new ATOM 0 HG22 VAL A 16 10.544 0.655 -21.598 1.00 22.11 H new ATOM 0 HG23 VAL A 16 9.830 0.711 -19.968 1.00 22.11 H new ATOM 254 N ASP A 17 5.954 -1.291 -22.201 1.00 40.45 N ATOM 255 CA ASP A 17 4.986 -2.016 -23.007 1.00 22.02 C ATOM 256 C ASP A 17 4.007 -1.023 -23.636 1.00 73.42 C ATOM 257 O ASP A 17 3.416 -1.304 -24.678 1.00 20.51 O ATOM 258 CB ASP A 17 4.181 -2.996 -22.151 1.00 4.12 C ATOM 259 CG ASP A 17 3.600 -4.191 -22.909 1.00 53.53 C ATOM 260 OD1 ASP A 17 4.146 -4.623 -23.935 1.00 54.34 O ATOM 261 OD2 ASP A 17 2.525 -4.689 -22.399 1.00 71.32 O ATOM 0 H ASP A 17 5.839 -1.402 -21.194 1.00 40.45 H new ATOM 0 HA ASP A 17 5.531 -2.569 -23.772 1.00 22.02 H new ATOM 0 HB2 ASP A 17 4.822 -3.369 -21.352 1.00 4.12 H new ATOM 0 HB3 ASP A 17 3.363 -2.454 -21.677 1.00 4.12 H new ATOM 267 N ALA A 18 3.865 0.117 -22.977 1.00 52.34 N ATOM 268 CA ALA A 18 2.967 1.153 -23.459 1.00 41.34 C ATOM 269 C ALA A 18 3.443 1.637 -24.830 1.00 44.44 C ATOM 270 O ALA A 18 2.639 2.072 -25.653 1.00 71.02 O ATOM 271 CB ALA A 18 2.897 2.286 -22.433 1.00 74.12 C ATOM 0 H ALA A 18 4.357 0.346 -22.113 1.00 52.34 H new ATOM 0 HA ALA A 18 1.958 0.760 -23.580 1.00 41.34 H new ATOM 0 HB1 ALA A 18 2.224 3.063 -22.794 1.00 74.12 H new ATOM 0 HB2 ALA A 18 2.526 1.896 -21.485 1.00 74.12 H new ATOM 0 HB3 ALA A 18 3.892 2.707 -22.287 1.00 74.12 H new ATOM 277 N ILE A 19 4.749 1.546 -25.034 1.00 5.23 N ATOM 278 CA ILE A 19 5.343 1.970 -26.291 1.00 34.52 C ATOM 279 C ILE A 19 4.677 1.215 -27.443 1.00 62.34 C ATOM 280 O ILE A 19 4.643 1.703 -28.572 1.00 32.31 O ATOM 281 CB ILE A 19 6.863 1.808 -26.247 1.00 4.41 C ATOM 282 CG1 ILE A 19 7.456 2.529 -25.034 1.00 63.13 C ATOM 283 CG2 ILE A 19 7.502 2.272 -27.558 1.00 30.22 C ATOM 284 CD1 ILE A 19 6.769 3.877 -24.807 1.00 73.32 C ATOM 0 H ILE A 19 5.413 1.185 -24.349 1.00 5.23 H new ATOM 0 HA ILE A 19 5.164 3.032 -26.459 1.00 34.52 H new ATOM 0 HB ILE A 19 7.091 0.748 -26.135 1.00 4.41 H new ATOM 0 HG12 ILE A 19 7.345 1.906 -24.146 1.00 63.13 H new ATOM 0 HG13 ILE A 19 8.525 2.682 -25.184 1.00 63.13 H new ATOM 0 HG21 ILE A 19 8.583 2.146 -27.500 1.00 30.22 H new ATOM 0 HG22 ILE A 19 7.111 1.677 -28.384 1.00 30.22 H new ATOM 0 HG23 ILE A 19 7.267 3.323 -27.725 1.00 30.22 H new ATOM 0 HD11 ILE A 19 7.209 4.368 -23.939 1.00 73.32 H new ATOM 0 HD12 ILE A 19 6.903 4.506 -25.687 1.00 73.32 H new ATOM 0 HD13 ILE A 19 5.705 3.718 -24.633 1.00 73.32 H new ATOM 296 N GLY A 20 4.165 0.036 -27.119 1.00 41.54 N ATOM 297 CA GLY A 20 3.503 -0.791 -28.114 1.00 13.43 C ATOM 298 C GLY A 20 2.004 -0.901 -27.825 1.00 22.13 C ATOM 299 O GLY A 20 1.214 -1.179 -28.725 1.00 73.31 O ATOM 0 H GLY A 20 4.195 -0.366 -26.182 1.00 41.54 H new ATOM 0 HA2 GLY A 20 3.656 -0.366 -29.106 1.00 13.43 H new ATOM 0 HA3 GLY A 20 3.950 -1.785 -28.121 1.00 13.43 H new ATOM 303 N SER A 21 1.659 -0.678 -26.565 1.00 52.43 N ATOM 304 CA SER A 21 0.269 -0.749 -26.146 1.00 43.45 C ATOM 305 C SER A 21 -0.428 0.586 -26.419 1.00 73.41 C ATOM 306 O SER A 21 -1.641 0.703 -26.248 1.00 23.31 O ATOM 307 CB SER A 21 0.159 -1.112 -24.665 1.00 33.35 C ATOM 308 OG SER A 21 1.141 -2.068 -24.275 1.00 21.14 O ATOM 0 H SER A 21 2.318 -0.448 -25.821 1.00 52.43 H new ATOM 0 HA SER A 21 -0.223 -1.533 -26.722 1.00 43.45 H new ATOM 0 HB2 SER A 21 0.271 -0.211 -24.062 1.00 33.35 H new ATOM 0 HB3 SER A 21 -0.835 -1.510 -24.462 1.00 33.35 H new ATOM 0 HG SER A 21 1.932 -1.975 -24.845 1.00 21.14 H new ATOM 314 N VAL A 22 0.368 1.558 -26.839 1.00 13.02 N ATOM 315 CA VAL A 22 -0.158 2.879 -27.137 1.00 0.43 C ATOM 316 C VAL A 22 -1.244 2.762 -28.208 1.00 33.23 C ATOM 317 O VAL A 22 -2.238 3.486 -28.171 1.00 32.40 O ATOM 318 CB VAL A 22 0.981 3.817 -27.541 1.00 65.15 C ATOM 319 CG1 VAL A 22 1.938 3.128 -28.517 1.00 54.32 C ATOM 320 CG2 VAL A 22 0.437 5.118 -28.134 1.00 14.22 C ATOM 0 H VAL A 22 1.373 1.457 -26.980 1.00 13.02 H new ATOM 0 HA VAL A 22 -0.621 3.314 -26.251 1.00 0.43 H new ATOM 0 HB VAL A 22 1.542 4.069 -26.641 1.00 65.15 H new ATOM 0 HG11 VAL A 22 2.739 3.816 -28.789 1.00 54.32 H new ATOM 0 HG12 VAL A 22 2.365 2.243 -28.045 1.00 54.32 H new ATOM 0 HG13 VAL A 22 1.393 2.833 -29.414 1.00 54.32 H new ATOM 0 HG21 VAL A 22 1.268 5.766 -28.413 1.00 14.22 H new ATOM 0 HG22 VAL A 22 -0.160 4.893 -29.018 1.00 14.22 H new ATOM 0 HG23 VAL A 22 -0.185 5.623 -27.395 1.00 14.22 H new ATOM 330 N ALA A 23 -1.018 1.844 -29.136 1.00 51.33 N ATOM 331 CA ALA A 23 -1.965 1.623 -30.216 1.00 32.53 C ATOM 332 C ALA A 23 -3.212 0.931 -29.660 1.00 51.33 C ATOM 333 O ALA A 23 -4.255 0.908 -30.311 1.00 54.34 O ATOM 334 CB ALA A 23 -1.294 0.811 -31.325 1.00 60.33 C ATOM 0 H ALA A 23 -0.193 1.245 -29.163 1.00 51.33 H new ATOM 0 HA ALA A 23 -2.280 2.571 -30.651 1.00 32.53 H new ATOM 0 HB1 ALA A 23 -2.004 0.645 -32.135 1.00 60.33 H new ATOM 0 HB2 ALA A 23 -0.431 1.358 -31.705 1.00 60.33 H new ATOM 0 HB3 ALA A 23 -0.968 -0.150 -30.926 1.00 60.33 H new ATOM 340 N GLY A 24 -3.063 0.385 -28.463 1.00 22.13 N ATOM 341 CA GLY A 24 -4.164 -0.305 -27.812 1.00 62.13 C ATOM 342 C GLY A 24 -4.580 0.415 -26.528 1.00 30.10 C ATOM 343 O GLY A 24 -5.268 -0.159 -25.685 1.00 71.24 O ATOM 0 H GLY A 24 -2.196 0.406 -27.926 1.00 22.13 H new ATOM 0 HA2 GLY A 24 -5.014 -0.364 -28.492 1.00 62.13 H new ATOM 0 HA3 GLY A 24 -3.870 -1.329 -27.580 1.00 62.13 H new ATOM 347 N ILE A 25 -4.145 1.662 -26.419 1.00 31.41 N ATOM 348 CA ILE A 25 -4.464 2.466 -25.252 1.00 1.04 C ATOM 349 C ILE A 25 -4.674 3.919 -25.681 1.00 53.31 C ATOM 350 O ILE A 25 -5.731 4.497 -25.432 1.00 11.34 O ATOM 351 CB ILE A 25 -3.393 2.293 -24.173 1.00 30.54 C ATOM 352 CG1 ILE A 25 -3.611 0.998 -23.387 1.00 13.14 C ATOM 353 CG2 ILE A 25 -3.334 3.517 -23.257 1.00 34.55 C ATOM 354 CD1 ILE A 25 -2.431 0.042 -23.566 1.00 64.22 C ATOM 0 H ILE A 25 -3.574 2.135 -27.120 1.00 31.41 H new ATOM 0 HA ILE A 25 -5.397 2.128 -24.800 1.00 1.04 H new ATOM 0 HB ILE A 25 -2.423 2.212 -24.664 1.00 30.54 H new ATOM 0 HG12 ILE A 25 -3.740 1.228 -22.329 1.00 13.14 H new ATOM 0 HG13 ILE A 25 -4.529 0.515 -23.722 1.00 13.14 H new ATOM 0 HG21 ILE A 25 -2.565 3.368 -22.499 1.00 34.55 H new ATOM 0 HG22 ILE A 25 -3.095 4.402 -23.847 1.00 34.55 H new ATOM 0 HG23 ILE A 25 -4.300 3.655 -22.771 1.00 34.55 H new ATOM 0 HD11 ILE A 25 -2.612 -0.870 -22.997 1.00 64.22 H new ATOM 0 HD12 ILE A 25 -2.320 -0.205 -24.622 1.00 64.22 H new ATOM 0 HD13 ILE A 25 -1.519 0.519 -23.207 1.00 64.22 H new ATOM 366 N ARG A 26 -3.651 4.468 -26.319 1.00 53.34 N ATOM 367 CA ARG A 26 -3.711 5.843 -26.786 1.00 1.11 C ATOM 368 C ARG A 26 -4.686 5.964 -27.959 1.00 63.20 C ATOM 369 O ARG A 26 -5.401 6.957 -28.076 1.00 52.45 O ATOM 370 CB ARG A 26 -2.331 6.336 -27.226 1.00 22.32 C ATOM 371 CG ARG A 26 -2.414 7.745 -27.817 1.00 32.43 C ATOM 372 CD ARG A 26 -2.703 7.693 -29.318 1.00 42.24 C ATOM 373 NE ARG A 26 -1.680 8.466 -30.057 1.00 44.21 N ATOM 374 CZ ARG A 26 -1.641 8.580 -31.402 1.00 33.52 C ATOM 375 NH1 ARG A 26 -2.571 7.970 -32.168 1.00 22.54 N ATOM 376 NH2 ARG A 26 -0.681 9.296 -31.957 1.00 33.33 N ATOM 0 H ARG A 26 -2.776 3.986 -26.524 1.00 53.34 H new ATOM 0 HA ARG A 26 -4.057 6.460 -25.957 1.00 1.11 H new ATOM 0 HB2 ARG A 26 -1.652 6.335 -26.373 1.00 22.32 H new ATOM 0 HB3 ARG A 26 -1.915 5.652 -27.966 1.00 22.32 H new ATOM 0 HG2 ARG A 26 -3.197 8.310 -27.311 1.00 32.43 H new ATOM 0 HG3 ARG A 26 -1.477 8.273 -27.641 1.00 32.43 H new ATOM 0 HD2 ARG A 26 -2.707 6.658 -29.660 1.00 42.24 H new ATOM 0 HD3 ARG A 26 -3.694 8.099 -29.520 1.00 42.24 H new ATOM 0 HE ARG A 26 -0.959 8.943 -29.516 1.00 44.21 H new ATOM 0 HH11 ARG A 26 -3.310 7.418 -31.731 1.00 22.54 H new ATOM 0 HH12 ARG A 26 -2.535 8.061 -33.183 1.00 22.54 H new ATOM 0 HH21 ARG A 26 0.018 9.753 -31.371 1.00 33.33 H new ATOM 0 HH22 ARG A 26 -0.638 9.392 -32.972 1.00 33.33 H new ATOM 389 N GLY A 27 -4.683 4.938 -28.798 1.00 24.05 N ATOM 390 CA GLY A 27 -5.558 4.917 -29.957 1.00 63.32 C ATOM 391 C GLY A 27 -7.019 4.743 -29.538 1.00 51.33 C ATOM 392 O GLY A 27 -7.907 5.395 -30.086 1.00 71.42 O ATOM 0 H GLY A 27 -4.088 4.115 -28.698 1.00 24.05 H new ATOM 0 HA2 GLY A 27 -5.445 5.844 -30.519 1.00 63.32 H new ATOM 0 HA3 GLY A 27 -5.267 4.104 -30.622 1.00 63.32 H new ATOM 396 N ILE A 28 -7.223 3.862 -28.570 1.00 73.14 N ATOM 397 CA ILE A 28 -8.562 3.595 -28.072 1.00 24.43 C ATOM 398 C ILE A 28 -8.986 4.725 -27.132 1.00 31.10 C ATOM 399 O ILE A 28 -10.170 4.881 -26.838 1.00 32.44 O ATOM 400 CB ILE A 28 -8.628 2.206 -27.433 1.00 0.03 C ATOM 401 CG1 ILE A 28 -8.285 2.271 -25.943 1.00 41.00 C ATOM 402 CG2 ILE A 28 -7.737 1.214 -28.183 1.00 52.04 C ATOM 403 CD1 ILE A 28 -8.326 0.879 -25.310 1.00 31.23 C ATOM 0 H ILE A 28 -6.484 3.324 -28.117 1.00 73.14 H new ATOM 0 HA ILE A 28 -9.278 3.577 -28.893 1.00 24.43 H new ATOM 0 HB ILE A 28 -9.652 1.842 -27.512 1.00 0.03 H new ATOM 0 HG12 ILE A 28 -7.293 2.704 -25.813 1.00 41.00 H new ATOM 0 HG13 ILE A 28 -8.989 2.928 -25.432 1.00 41.00 H new ATOM 0 HG21 ILE A 28 -7.803 0.235 -27.708 1.00 52.04 H new ATOM 0 HG22 ILE A 28 -8.069 1.138 -29.219 1.00 52.04 H new ATOM 0 HG23 ILE A 28 -6.704 1.561 -28.157 1.00 52.04 H new ATOM 0 HD11 ILE A 28 -8.078 0.953 -24.251 1.00 31.23 H new ATOM 0 HD12 ILE A 28 -9.326 0.458 -25.420 1.00 31.23 H new ATOM 0 HD13 ILE A 28 -7.603 0.232 -25.807 1.00 31.23 H new ATOM 415 N LEU A 29 -7.996 5.485 -26.687 1.00 71.21 N ATOM 416 CA LEU A 29 -8.252 6.596 -25.787 1.00 11.23 C ATOM 417 C LEU A 29 -9.184 7.598 -26.472 1.00 22.20 C ATOM 418 O LEU A 29 -9.977 8.266 -25.811 1.00 0.13 O ATOM 419 CB LEU A 29 -6.936 7.210 -25.306 1.00 1.23 C ATOM 420 CG LEU A 29 -6.708 7.208 -23.793 1.00 12.03 C ATOM 421 CD1 LEU A 29 -7.713 8.120 -23.086 1.00 31.42 C ATOM 422 CD2 LEU A 29 -6.737 5.783 -23.236 1.00 5.21 C ATOM 0 H LEU A 29 -7.015 5.353 -26.933 1.00 71.21 H new ATOM 0 HA LEU A 29 -8.762 6.248 -24.889 1.00 11.23 H new ATOM 0 HB2 LEU A 29 -6.113 6.673 -25.778 1.00 1.23 H new ATOM 0 HB3 LEU A 29 -6.888 8.240 -25.659 1.00 1.23 H new ATOM 0 HG LEU A 29 -5.714 7.610 -23.597 1.00 12.03 H new ATOM 0 HD11 LEU A 29 -7.529 8.100 -22.012 1.00 31.42 H new ATOM 0 HD12 LEU A 29 -7.601 9.140 -23.455 1.00 31.42 H new ATOM 0 HD13 LEU A 29 -8.726 7.770 -23.287 1.00 31.42 H new ATOM 0 HD21 LEU A 29 -6.572 5.810 -22.159 1.00 5.21 H new ATOM 0 HD22 LEU A 29 -7.707 5.331 -23.444 1.00 5.21 H new ATOM 0 HD23 LEU A 29 -5.952 5.192 -23.708 1.00 5.21 H new ATOM 434 N LYS A 30 -9.057 7.670 -27.789 1.00 2.42 N ATOM 435 CA LYS A 30 -9.878 8.579 -28.571 1.00 5.31 C ATOM 436 C LYS A 30 -11.341 8.141 -28.485 1.00 23.52 C ATOM 437 O LYS A 30 -12.238 8.877 -28.890 1.00 53.42 O ATOM 438 CB LYS A 30 -9.349 8.680 -30.003 1.00 51.42 C ATOM 439 CG LYS A 30 -9.596 7.381 -30.772 1.00 24.53 C ATOM 440 CD LYS A 30 -10.818 7.506 -31.683 1.00 70.22 C ATOM 441 CE LYS A 30 -10.398 7.652 -33.147 1.00 3.41 C ATOM 442 NZ LYS A 30 -11.350 8.520 -33.875 1.00 74.23 N ATOM 0 H LYS A 30 -8.398 7.114 -28.334 1.00 2.42 H new ATOM 0 HA LYS A 30 -9.823 9.588 -28.163 1.00 5.31 H new ATOM 0 HB2 LYS A 30 -9.836 9.509 -30.517 1.00 51.42 H new ATOM 0 HB3 LYS A 30 -8.281 8.899 -29.985 1.00 51.42 H new ATOM 0 HG2 LYS A 30 -8.717 7.135 -31.368 1.00 24.53 H new ATOM 0 HG3 LYS A 30 -9.744 6.561 -30.069 1.00 24.53 H new ATOM 0 HD2 LYS A 30 -11.452 6.627 -31.569 1.00 70.22 H new ATOM 0 HD3 LYS A 30 -11.412 8.369 -31.384 1.00 70.22 H new ATOM 0 HE2 LYS A 30 -9.395 8.075 -33.203 1.00 3.41 H new ATOM 0 HE3 LYS A 30 -10.357 6.671 -33.619 1.00 3.41 H new ATOM 0 HZ1 LYS A 30 -11.050 8.609 -34.867 1.00 74.23 H new ATOM 0 HZ2 LYS A 30 -12.301 8.101 -33.837 1.00 74.23 H new ATOM 0 HZ3 LYS A 30 -11.369 9.462 -33.434 1.00 74.23 H new ATOM 455 N SER A 31 -11.536 6.942 -27.954 1.00 43.31 N ATOM 456 CA SER A 31 -12.875 6.397 -27.810 1.00 24.44 C ATOM 457 C SER A 31 -13.370 6.599 -26.376 1.00 71.22 C ATOM 458 O SER A 31 -14.549 6.396 -26.089 1.00 2.24 O ATOM 459 CB SER A 31 -12.907 4.912 -28.178 1.00 0.01 C ATOM 460 OG SER A 31 -13.509 4.122 -27.156 1.00 62.54 O ATOM 0 H SER A 31 -10.789 6.334 -27.619 1.00 43.31 H new ATOM 0 HA SER A 31 -13.537 6.928 -28.495 1.00 24.44 H new ATOM 0 HB2 SER A 31 -13.458 4.781 -29.109 1.00 0.01 H new ATOM 0 HB3 SER A 31 -11.891 4.561 -28.357 1.00 0.01 H new ATOM 0 HG SER A 31 -13.512 3.181 -27.429 1.00 62.54 H new ATOM 466 N ILE A 32 -12.445 6.996 -25.515 1.00 30.32 N ATOM 467 CA ILE A 32 -12.773 7.227 -24.118 1.00 40.53 C ATOM 468 C ILE A 32 -12.951 8.729 -23.883 1.00 65.20 C ATOM 469 O ILE A 32 -13.852 9.145 -23.157 1.00 74.33 O ATOM 470 CB ILE A 32 -11.727 6.582 -23.208 1.00 25.21 C ATOM 471 CG1 ILE A 32 -11.092 5.363 -23.880 1.00 70.33 C ATOM 472 CG2 ILE A 32 -12.325 6.237 -21.843 1.00 34.41 C ATOM 473 CD1 ILE A 32 -12.119 4.244 -24.069 1.00 2.14 C ATOM 0 H ILE A 32 -11.468 7.164 -25.757 1.00 30.32 H new ATOM 0 HA ILE A 32 -13.719 6.749 -23.865 1.00 40.53 H new ATOM 0 HB ILE A 32 -10.931 7.306 -23.037 1.00 25.21 H new ATOM 0 HG12 ILE A 32 -10.680 5.650 -24.847 1.00 70.33 H new ATOM 0 HG13 ILE A 32 -10.261 5.001 -23.274 1.00 70.33 H new ATOM 0 HG21 ILE A 32 -11.560 5.780 -21.216 1.00 34.41 H new ATOM 0 HG22 ILE A 32 -12.690 7.146 -21.365 1.00 34.41 H new ATOM 0 HG23 ILE A 32 -13.152 5.539 -21.974 1.00 34.41 H new ATOM 0 HD11 ILE A 32 -11.642 3.389 -24.549 1.00 2.14 H new ATOM 0 HD12 ILE A 32 -12.512 3.943 -23.098 1.00 2.14 H new ATOM 0 HD13 ILE A 32 -12.936 4.602 -24.695 1.00 2.14 H new ATOM 485 N ARG A 33 -12.076 9.501 -24.510 1.00 43.25 N ATOM 486 CA ARG A 33 -12.125 10.947 -24.379 1.00 5.45 C ATOM 487 C ARG A 33 -11.892 11.356 -22.922 1.00 61.35 C ATOM 488 O ARG A 33 -11.691 10.503 -22.059 1.00 61.34 O ATOM 489 CB ARG A 33 -13.473 11.498 -24.846 1.00 72.11 C ATOM 490 CG ARG A 33 -13.472 11.741 -26.357 1.00 12.13 C ATOM 491 CD ARG A 33 -14.896 11.722 -26.916 1.00 52.11 C ATOM 492 NE ARG A 33 -15.344 10.325 -27.113 1.00 12.35 N ATOM 493 CZ ARG A 33 -16.065 9.628 -26.209 1.00 75.24 C ATOM 494 NH1 ARG A 33 -16.427 10.193 -25.038 1.00 31.42 N ATOM 495 NH2 ARG A 33 -16.412 8.385 -26.489 1.00 42.11 N ATOM 0 H ARG A 33 -11.329 9.152 -25.110 1.00 43.25 H new ATOM 0 HA ARG A 33 -11.338 11.363 -25.008 1.00 5.45 H new ATOM 0 HB2 ARG A 33 -14.266 10.796 -24.587 1.00 72.11 H new ATOM 0 HB3 ARG A 33 -13.689 12.430 -24.324 1.00 72.11 H new ATOM 0 HG2 ARG A 33 -13.005 12.702 -26.574 1.00 12.13 H new ATOM 0 HG3 ARG A 33 -12.873 10.976 -26.852 1.00 12.13 H new ATOM 0 HD2 ARG A 33 -15.571 12.236 -26.232 1.00 52.11 H new ATOM 0 HD3 ARG A 33 -14.931 12.261 -27.863 1.00 52.11 H new ATOM 0 HE ARG A 33 -15.093 9.860 -27.985 1.00 12.35 H new ATOM 0 HH11 ARG A 33 -16.156 11.154 -24.830 1.00 31.42 H new ATOM 0 HH12 ARG A 33 -16.972 9.659 -24.361 1.00 31.42 H new ATOM 0 HH21 ARG A 33 -16.135 7.966 -27.377 1.00 42.11 H new ATOM 0 HH22 ARG A 33 -16.957 7.844 -25.817 1.00 42.11 H new TER 508 ARG A 33