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+ -166:sc= 0.00153 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= -0.571 X(o=-0.57,f=-0.27) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc= -8.97! C(o=-9!,f=-10!) 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 :FLIP no HD1:sc= -0.64 F(o=-2.1!,f=-0.64) USER MOD Single : A 21 SER OG : rot 180:sc= -1.16 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 8.452 2.546 4.326 1.00 61.44 N ATOM 2 CA PHE A 1 8.804 1.909 3.068 1.00 70.41 C ATOM 3 C PHE A 1 9.983 2.622 2.403 1.00 71.00 C ATOM 4 O PHE A 1 10.731 3.341 3.064 1.00 70.22 O ATOM 5 CB PHE A 1 7.580 2.013 2.156 1.00 60.31 C ATOM 6 CG PHE A 1 7.093 0.668 1.613 1.00 54.04 C ATOM 7 CD1 PHE A 1 7.989 -0.313 1.321 1.00 52.43 C ATOM 8 CD2 PHE A 1 5.763 0.453 1.421 1.00 4.34 C ATOM 9 CE1 PHE A 1 7.536 -1.560 0.816 1.00 25.54 C ATOM 10 CE2 PHE A 1 5.311 -0.795 0.917 1.00 41.30 C ATOM 11 CZ PHE A 1 6.207 -1.775 0.625 1.00 22.21 C ATOM 0 H1 PHE A 1 7.822 1.920 4.868 1.00 61.44 H new ATOM 0 H2 PHE A 1 9.315 2.729 4.876 1.00 61.44 H new ATOM 0 H3 PHE A 1 7.966 3.446 4.136 1.00 61.44 H new ATOM 0 HA PHE A 1 9.093 0.873 3.244 1.00 70.41 H new ATOM 0 HB2 PHE A 1 6.768 2.486 2.708 1.00 60.31 H new ATOM 0 HB3 PHE A 1 7.819 2.667 1.317 1.00 60.31 H new ATOM 0 HD1 PHE A 1 9.045 -0.143 1.473 1.00 52.43 H new ATOM 0 HD2 PHE A 1 5.051 1.232 1.652 1.00 4.34 H new ATOM 0 HE1 PHE A 1 8.247 -2.339 0.583 1.00 25.54 H new ATOM 0 HE2 PHE A 1 4.255 -0.966 0.766 1.00 41.30 H new ATOM 0 HZ PHE A 1 5.863 -2.724 0.241 1.00 22.21 H new ATOM 21 N ASN A 2 10.112 2.398 1.103 1.00 11.54 N ATOM 22 CA ASN A 2 11.187 3.011 0.342 1.00 61.13 C ATOM 23 C ASN A 2 10.662 3.419 -1.036 1.00 71.12 C ATOM 24 O ASN A 2 10.633 4.603 -1.368 1.00 13.14 O ATOM 25 CB ASN A 2 12.344 2.031 0.136 1.00 73.13 C ATOM 26 CG ASN A 2 12.390 0.993 1.259 1.00 12.21 C ATOM 27 OD1 ASN A 2 13.117 1.123 2.230 1.00 43.22 O ATOM 28 ND2 ASN A 2 11.575 -0.041 1.074 1.00 72.33 N ATOM 0 H ASN A 2 9.490 1.801 0.558 1.00 11.54 H new ATOM 0 HA ASN A 2 11.543 3.878 0.899 1.00 61.13 H new ATOM 0 HB2 ASN A 2 12.233 1.528 -0.825 1.00 73.13 H new ATOM 0 HB3 ASN A 2 13.287 2.577 0.102 1.00 73.13 H new ATOM 0 HD21 ASN A 2 11.532 -0.787 1.768 1.00 72.33 H new ATOM 0 HD22 ASN A 2 10.993 -0.088 0.238 1.00 72.33 H new ATOM 35 N ARG A 3 10.260 2.415 -1.802 1.00 1.21 N ATOM 36 CA ARG A 3 9.738 2.655 -3.136 1.00 74.45 C ATOM 37 C ARG A 3 8.471 3.510 -3.065 1.00 33.40 C ATOM 38 O ARG A 3 8.406 4.581 -3.665 1.00 42.32 O ATOM 39 CB ARG A 3 9.417 1.338 -3.847 1.00 13.13 C ATOM 40 CG ARG A 3 10.698 0.610 -4.257 1.00 63.11 C ATOM 41 CD ARG A 3 11.232 -0.250 -3.110 1.00 33.14 C ATOM 42 NE ARG A 3 10.129 -1.033 -2.509 1.00 13.34 N ATOM 43 CZ ARG A 3 9.754 -2.259 -2.930 1.00 74.11 C ATOM 44 NH1 ARG A 3 10.391 -2.854 -3.960 1.00 64.34 N ATOM 45 NH2 ARG A 3 8.754 -2.868 -2.320 1.00 12.32 N ATOM 0 H ARG A 3 10.285 1.434 -1.524 1.00 1.21 H new ATOM 0 HA ARG A 3 10.505 3.183 -3.702 1.00 74.45 H new ATOM 0 HB2 ARG A 3 8.827 0.700 -3.189 1.00 13.13 H new ATOM 0 HB3 ARG A 3 8.809 1.536 -4.729 1.00 13.13 H new ATOM 0 HG2 ARG A 3 10.501 -0.018 -5.126 1.00 63.11 H new ATOM 0 HG3 ARG A 3 11.454 1.337 -4.554 1.00 63.11 H new ATOM 0 HD2 ARG A 3 12.007 -0.922 -3.479 1.00 33.14 H new ATOM 0 HD3 ARG A 3 11.693 0.384 -2.353 1.00 33.14 H new ATOM 0 HE ARG A 3 9.620 -0.620 -1.727 1.00 13.34 H new ATOM 0 HH11 ARG A 3 11.162 -2.377 -4.427 1.00 64.34 H new ATOM 0 HH12 ARG A 3 10.101 -3.781 -4.272 1.00 64.34 H new ATOM 0 HH21 ARG A 3 8.277 -2.412 -1.543 1.00 12.32 H new ATOM 0 HH22 ARG A 3 8.458 -3.795 -2.626 1.00 12.32 H new ATOM 58 N GLY A 4 7.495 3.003 -2.326 1.00 14.52 N ATOM 59 CA GLY A 4 6.233 3.707 -2.168 1.00 43.41 C ATOM 60 C GLY A 4 5.095 2.953 -2.858 1.00 15.22 C ATOM 61 O GLY A 4 3.923 3.183 -2.561 1.00 3.35 O ATOM 0 H GLY A 4 7.552 2.113 -1.830 1.00 14.52 H new ATOM 0 HA2 GLY A 4 6.007 3.823 -1.108 1.00 43.41 H new ATOM 0 HA3 GLY A 4 6.317 4.710 -2.587 1.00 43.41 H new ATOM 65 N GLY A 5 5.478 2.068 -3.766 1.00 24.03 N ATOM 66 CA GLY A 5 4.504 1.279 -4.500 1.00 21.40 C ATOM 67 C GLY A 5 4.539 1.614 -5.992 1.00 43.24 C ATOM 68 O GLY A 5 4.327 0.742 -6.834 1.00 3.15 O ATOM 0 H GLY A 5 6.450 1.880 -4.010 1.00 24.03 H new ATOM 0 HA2 GLY A 5 4.708 0.218 -4.357 1.00 21.40 H new ATOM 0 HA3 GLY A 5 3.506 1.467 -4.105 1.00 21.40 H new ATOM 72 N TYR A 6 4.808 2.880 -6.275 1.00 45.24 N ATOM 73 CA TYR A 6 4.874 3.342 -7.652 1.00 21.24 C ATOM 74 C TYR A 6 6.220 2.985 -8.286 1.00 50.01 C ATOM 75 O TYR A 6 6.369 3.038 -9.506 1.00 34.50 O ATOM 76 CB TYR A 6 4.739 4.865 -7.593 1.00 24.45 C ATOM 77 CG TYR A 6 6.046 5.593 -7.273 1.00 22.02 C ATOM 78 CD1 TYR A 6 6.461 5.724 -5.963 1.00 14.13 C ATOM 79 CD2 TYR A 6 6.811 6.119 -8.294 1.00 71.01 C ATOM 80 CE1 TYR A 6 7.691 6.410 -5.662 1.00 34.43 C ATOM 81 CE2 TYR A 6 8.041 6.804 -7.993 1.00 50.52 C ATOM 82 CZ TYR A 6 8.420 6.916 -6.692 1.00 21.12 C ATOM 83 OH TYR A 6 9.582 7.563 -6.408 1.00 11.44 O ATOM 0 H TYR A 6 4.983 3.601 -5.575 1.00 45.24 H new ATOM 0 HA TYR A 6 4.092 2.876 -8.251 1.00 21.24 H new ATOM 0 HB2 TYR A 6 4.360 5.223 -8.550 1.00 24.45 H new ATOM 0 HB3 TYR A 6 3.996 5.125 -6.839 1.00 24.45 H new ATOM 0 HD1 TYR A 6 5.863 5.312 -5.164 1.00 14.13 H new ATOM 0 HD2 TYR A 6 6.487 6.017 -9.319 1.00 71.01 H new ATOM 0 HE1 TYR A 6 8.027 6.520 -4.641 1.00 34.43 H new ATOM 0 HE2 TYR A 6 8.649 7.220 -8.783 1.00 50.52 H new ATOM 0 HH TYR A 6 9.997 7.870 -7.241 1.00 11.44 H new ATOM 93 N ASN A 7 7.166 2.630 -7.429 1.00 43.24 N ATOM 94 CA ASN A 7 8.495 2.265 -7.891 1.00 32.22 C ATOM 95 C ASN A 7 8.911 3.201 -9.027 1.00 12.30 C ATOM 96 O ASN A 7 8.442 4.336 -9.104 1.00 4.12 O ATOM 97 CB ASN A 7 8.517 0.832 -8.427 1.00 10.10 C ATOM 98 CG ASN A 7 9.803 0.113 -8.015 1.00 70.55 C ATOM 99 OD1 ASN A 7 10.885 0.392 -8.505 1.00 2.14 O ATOM 100 ND2 ASN A 7 9.625 -0.827 -7.091 1.00 70.34 N ATOM 0 H ASN A 7 7.039 2.587 -6.418 1.00 43.24 H new ATOM 0 HA ASN A 7 9.179 2.345 -7.046 1.00 32.22 H new ATOM 0 HB2 ASN A 7 7.653 0.285 -8.049 1.00 10.10 H new ATOM 0 HB3 ASN A 7 8.435 0.845 -9.514 1.00 10.10 H new ATOM 0 HD21 ASN A 7 10.422 -1.365 -6.751 1.00 70.34 H new ATOM 0 HD22 ASN A 7 8.692 -1.010 -6.723 1.00 70.34 H new ATOM 107 N PHE A 8 9.786 2.691 -9.881 1.00 11.30 N ATOM 108 CA PHE A 8 10.270 3.468 -11.010 1.00 23.25 C ATOM 109 C PHE A 8 11.046 2.585 -11.990 1.00 12.51 C ATOM 110 O PHE A 8 12.017 3.033 -12.598 1.00 72.55 O ATOM 111 CB PHE A 8 11.212 4.535 -10.447 1.00 72.42 C ATOM 112 CG PHE A 8 11.995 4.085 -9.212 1.00 32.20 C ATOM 113 CD1 PHE A 8 12.482 2.817 -9.140 1.00 43.23 C ATOM 114 CD2 PHE A 8 12.203 4.953 -8.186 1.00 20.53 C ATOM 115 CE1 PHE A 8 13.209 2.400 -7.994 1.00 32.31 C ATOM 116 CE2 PHE A 8 12.930 4.535 -7.039 1.00 55.03 C ATOM 117 CZ PHE A 8 13.417 3.267 -6.968 1.00 1.44 C ATOM 0 H PHE A 8 10.172 1.749 -9.814 1.00 11.30 H new ATOM 0 HA PHE A 8 9.430 3.909 -11.547 1.00 23.25 H new ATOM 0 HB2 PHE A 8 11.917 4.829 -11.224 1.00 72.42 H new ATOM 0 HB3 PHE A 8 10.630 5.421 -10.193 1.00 72.42 H new ATOM 0 HD1 PHE A 8 12.316 2.128 -9.954 1.00 43.23 H new ATOM 0 HD2 PHE A 8 11.816 5.960 -8.243 1.00 20.53 H new ATOM 0 HE1 PHE A 8 13.597 1.394 -7.937 1.00 32.31 H new ATOM 0 HE2 PHE A 8 13.096 5.224 -6.224 1.00 55.03 H new ATOM 0 HZ PHE A 8 13.969 2.949 -6.096 1.00 1.44 H new ATOM 127 N GLY A 9 10.588 1.348 -12.112 1.00 41.22 N ATOM 128 CA GLY A 9 11.227 0.399 -13.008 1.00 52.22 C ATOM 129 C GLY A 9 10.225 -0.644 -13.507 1.00 54.44 C ATOM 130 O GLY A 9 10.067 -0.832 -14.713 1.00 4.52 O ATOM 0 H GLY A 9 9.782 0.981 -11.606 1.00 41.22 H new ATOM 0 HA2 GLY A 9 11.659 0.929 -13.857 1.00 52.22 H new ATOM 0 HA3 GLY A 9 12.048 -0.098 -12.491 1.00 52.22 H new ATOM 134 N LYS A 10 9.573 -1.294 -12.555 1.00 75.31 N ATOM 135 CA LYS A 10 8.590 -2.313 -12.883 1.00 72.20 C ATOM 136 C LYS A 10 7.406 -1.662 -13.600 1.00 52.42 C ATOM 137 O LYS A 10 7.045 -2.066 -14.705 1.00 24.15 O ATOM 138 CB LYS A 10 8.194 -3.098 -11.631 1.00 30.40 C ATOM 139 CG LYS A 10 9.367 -3.200 -10.654 1.00 12.54 C ATOM 140 CD LYS A 10 9.156 -2.282 -9.447 1.00 71.33 C ATOM 141 CE LYS A 10 7.989 -2.769 -8.586 1.00 23.44 C ATOM 142 NZ LYS A 10 8.437 -3.835 -7.661 1.00 4.52 N ATOM 0 H LYS A 10 9.706 -1.135 -11.556 1.00 75.31 H new ATOM 0 HA LYS A 10 9.015 -3.045 -13.569 1.00 72.20 H new ATOM 0 HB2 LYS A 10 7.351 -2.609 -11.143 1.00 30.40 H new ATOM 0 HB3 LYS A 10 7.863 -4.097 -11.914 1.00 30.40 H new ATOM 0 HG2 LYS A 10 9.476 -4.231 -10.317 1.00 12.54 H new ATOM 0 HG3 LYS A 10 10.293 -2.931 -11.162 1.00 12.54 H new ATOM 0 HD2 LYS A 10 10.066 -2.248 -8.848 1.00 71.33 H new ATOM 0 HD3 LYS A 10 8.961 -1.265 -9.788 1.00 71.33 H new ATOM 0 HE2 LYS A 10 7.576 -1.936 -8.017 1.00 23.44 H new ATOM 0 HE3 LYS A 10 7.190 -3.146 -9.225 1.00 23.44 H new ATOM 0 HZ1 LYS A 10 7.633 -4.154 -7.084 1.00 4.52 H new ATOM 0 HZ2 LYS A 10 8.810 -4.636 -8.209 1.00 4.52 H new ATOM 0 HZ3 LYS A 10 9.184 -3.464 -7.039 1.00 4.52 H new ATOM 155 N SER A 11 6.833 -0.664 -12.943 1.00 44.31 N ATOM 156 CA SER A 11 5.698 0.048 -13.504 1.00 75.11 C ATOM 157 C SER A 11 6.038 0.554 -14.907 1.00 62.23 C ATOM 158 O SER A 11 5.168 0.623 -15.774 1.00 43.32 O ATOM 159 CB SER A 11 5.280 1.214 -12.606 1.00 41.12 C ATOM 160 OG SER A 11 4.109 1.867 -13.089 1.00 33.33 O ATOM 0 H SER A 11 7.134 -0.332 -12.027 1.00 44.31 H new ATOM 0 HA SER A 11 4.859 -0.645 -13.568 1.00 75.11 H new ATOM 0 HB2 SER A 11 5.100 0.847 -11.596 1.00 41.12 H new ATOM 0 HB3 SER A 11 6.096 1.934 -12.543 1.00 41.12 H new ATOM 0 HG SER A 11 3.874 2.604 -12.488 1.00 33.33 H new ATOM 166 N VAL A 12 7.306 0.894 -15.087 1.00 51.23 N ATOM 167 CA VAL A 12 7.772 1.392 -16.370 1.00 63.34 C ATOM 168 C VAL A 12 7.603 0.299 -17.428 1.00 53.42 C ATOM 169 O VAL A 12 7.323 0.593 -18.590 1.00 21.05 O ATOM 170 CB VAL A 12 9.215 1.886 -16.247 1.00 62.40 C ATOM 171 CG1 VAL A 12 9.932 1.827 -17.597 1.00 61.23 C ATOM 172 CG2 VAL A 12 9.263 3.298 -15.662 1.00 12.42 C ATOM 0 H VAL A 12 8.025 0.834 -14.366 1.00 51.23 H new ATOM 0 HA VAL A 12 7.175 2.247 -16.687 1.00 63.34 H new ATOM 0 HB VAL A 12 9.739 1.221 -15.560 1.00 62.40 H new ATOM 0 HG11 VAL A 12 10.956 2.184 -17.481 1.00 61.23 H new ATOM 0 HG12 VAL A 12 9.945 0.798 -17.958 1.00 61.23 H new ATOM 0 HG13 VAL A 12 9.407 2.457 -18.315 1.00 61.23 H new ATOM 0 HG21 VAL A 12 10.300 3.625 -15.585 1.00 12.42 H new ATOM 0 HG22 VAL A 12 8.715 3.980 -16.312 1.00 12.42 H new ATOM 0 HG23 VAL A 12 8.809 3.297 -14.671 1.00 12.42 H new ATOM 182 N ARG A 13 7.779 -0.938 -16.989 1.00 0.03 N ATOM 183 CA ARG A 13 7.649 -2.076 -17.883 1.00 40.32 C ATOM 184 C ARG A 13 6.191 -2.248 -18.315 1.00 3.33 C ATOM 185 O ARG A 13 5.918 -2.673 -19.436 1.00 63.30 O ATOM 186 CB ARG A 13 8.130 -3.363 -17.211 1.00 11.15 C ATOM 187 CG ARG A 13 9.547 -3.197 -16.659 1.00 4.20 C ATOM 188 CD ARG A 13 10.410 -2.360 -17.606 1.00 72.12 C ATOM 189 NE ARG A 13 10.368 -2.935 -18.969 1.00 63.13 N ATOM 190 CZ ARG A 13 10.943 -4.107 -19.314 1.00 74.21 C ATOM 191 NH1 ARG A 13 11.608 -4.840 -18.396 1.00 65.14 N ATOM 192 NH2 ARG A 13 10.843 -4.526 -20.562 1.00 5.10 N ATOM 0 H ARG A 13 8.011 -1.178 -16.025 1.00 0.03 H new ATOM 0 HA ARG A 13 8.270 -1.883 -18.757 1.00 40.32 H new ATOM 0 HB2 ARG A 13 7.450 -3.631 -16.402 1.00 11.15 H new ATOM 0 HB3 ARG A 13 8.110 -4.182 -17.930 1.00 11.15 H new ATOM 0 HG2 ARG A 13 9.506 -2.719 -15.680 1.00 4.20 H new ATOM 0 HG3 ARG A 13 10.003 -4.177 -16.516 1.00 4.20 H new ATOM 0 HD2 ARG A 13 10.051 -1.331 -17.625 1.00 72.12 H new ATOM 0 HD3 ARG A 13 11.438 -2.332 -17.246 1.00 72.12 H new ATOM 0 HE ARG A 13 9.874 -2.413 -19.693 1.00 63.13 H new ATOM 0 HH11 ARG A 13 11.679 -4.510 -17.434 1.00 65.14 H new ATOM 0 HH12 ARG A 13 12.040 -5.724 -18.665 1.00 65.14 H new ATOM 0 HH21 ARG A 13 10.337 -3.967 -21.249 1.00 5.10 H new ATOM 0 HH22 ARG A 13 11.272 -5.409 -20.839 1.00 5.10 H new ATOM 205 N HIS A 14 5.293 -1.908 -17.402 1.00 22.12 N ATOM 206 CA HIS A 14 3.870 -2.020 -17.674 1.00 2.40 C ATOM 207 C HIS A 14 3.430 -0.871 -18.584 1.00 22.01 C ATOM 208 O HIS A 14 2.673 -1.079 -19.530 1.00 72.35 O ATOM 209 CB HIS A 14 3.071 -2.083 -16.371 1.00 23.23 C ATOM 210 CG HIS A 14 1.704 -1.447 -16.457 1.00 4.12 C ATOM 211 ND1 HIS A 14 1.336 -0.151 -16.672 1.00 54.43 N flip ATOM 212 CD2 HIS A 14 0.532 -2.168 -16.313 1.00 24.22 C flip ATOM 213 CE1 HIS A 14 0.011 -0.084 -16.662 1.00 61.41 C flip ATOM 214 NE2 HIS A 14 -0.490 -1.333 -16.439 1.00 31.33 N flip ATOM 0 H HIS A 14 5.523 -1.555 -16.473 1.00 22.12 H new ATOM 0 HA HIS A 14 3.669 -2.953 -18.201 1.00 2.40 H new ATOM 0 HB2 HIS A 14 2.957 -3.126 -16.077 1.00 23.23 H new ATOM 0 HB3 HIS A 14 3.641 -1.590 -15.583 1.00 23.23 H new ATOM 0 HD2 HIS A 14 0.462 -3.230 -16.129 1.00 24.22 H new ATOM 0 HE1 HIS A 14 -0.575 0.812 -16.807 1.00 61.41 H new ATOM 0 HE2 HIS A 14 -1.478 -1.581 -16.380 1.00 31.33 H new ATOM 222 N VAL A 15 3.924 0.316 -18.265 1.00 11.30 N ATOM 223 CA VAL A 15 3.591 1.498 -19.042 1.00 2.42 C ATOM 224 C VAL A 15 4.212 1.379 -20.435 1.00 3.20 C ATOM 225 O VAL A 15 3.611 1.794 -21.424 1.00 54.04 O ATOM 226 CB VAL A 15 4.036 2.758 -18.295 1.00 35.41 C ATOM 227 CG1 VAL A 15 5.425 3.206 -18.754 1.00 35.22 C ATOM 228 CG2 VAL A 15 3.013 3.883 -18.462 1.00 0.53 C ATOM 0 H VAL A 15 4.552 0.485 -17.479 1.00 11.30 H new ATOM 0 HA VAL A 15 2.512 1.577 -19.173 1.00 2.42 H new ATOM 0 HB VAL A 15 4.097 2.515 -17.234 1.00 35.41 H new ATOM 0 HG11 VAL A 15 5.717 4.103 -18.208 1.00 35.22 H new ATOM 0 HG12 VAL A 15 6.146 2.412 -18.560 1.00 35.22 H new ATOM 0 HG13 VAL A 15 5.403 3.423 -19.822 1.00 35.22 H new ATOM 0 HG21 VAL A 15 3.353 4.767 -17.922 1.00 0.53 H new ATOM 0 HG22 VAL A 15 2.906 4.123 -19.520 1.00 0.53 H new ATOM 0 HG23 VAL A 15 2.051 3.562 -18.063 1.00 0.53 H new ATOM 238 N VAL A 16 5.408 0.811 -20.468 1.00 25.50 N ATOM 239 CA VAL A 16 6.118 0.632 -21.723 1.00 73.55 C ATOM 240 C VAL A 16 5.219 -0.117 -22.710 1.00 21.44 C ATOM 241 O VAL A 16 5.223 0.176 -23.904 1.00 74.21 O ATOM 242 CB VAL A 16 7.452 -0.075 -21.475 1.00 33.22 C ATOM 243 CG1 VAL A 16 7.943 -0.780 -22.741 1.00 1.13 C ATOM 244 CG2 VAL A 16 8.502 0.905 -20.950 1.00 43.51 C ATOM 0 H VAL A 16 5.904 0.468 -19.645 1.00 25.50 H new ATOM 0 HA VAL A 16 6.356 1.598 -22.168 1.00 73.55 H new ATOM 0 HB VAL A 16 7.291 -0.835 -20.710 1.00 33.22 H new ATOM 0 HG11 VAL A 16 8.893 -1.274 -22.537 1.00 1.13 H new ATOM 0 HG12 VAL A 16 7.208 -1.522 -23.053 1.00 1.13 H new ATOM 0 HG13 VAL A 16 8.079 -0.047 -23.536 1.00 1.13 H new ATOM 0 HG21 VAL A 16 9.441 0.377 -20.782 1.00 43.51 H new ATOM 0 HG22 VAL A 16 8.658 1.698 -21.682 1.00 43.51 H new ATOM 0 HG23 VAL A 16 8.157 1.340 -20.012 1.00 43.51 H new ATOM 254 N ASP A 17 4.471 -1.070 -22.173 1.00 12.01 N ATOM 255 CA ASP A 17 3.569 -1.863 -22.991 1.00 31.23 C ATOM 256 C ASP A 17 2.441 -0.970 -23.511 1.00 73.40 C ATOM 257 O ASP A 17 1.823 -1.275 -24.530 1.00 71.11 O ATOM 258 CB ASP A 17 2.939 -2.995 -22.177 1.00 31.14 C ATOM 259 CG ASP A 17 3.543 -4.380 -22.419 1.00 51.30 C ATOM 260 OD1 ASP A 17 4.377 -4.564 -23.318 1.00 74.41 O ATOM 261 OD2 ASP A 17 3.118 -5.306 -21.628 1.00 3.23 O ATOM 0 H ASP A 17 4.471 -1.311 -21.182 1.00 12.01 H new ATOM 0 HA ASP A 17 4.145 -2.287 -23.814 1.00 31.23 H new ATOM 0 HB2 ASP A 17 3.031 -2.755 -21.118 1.00 31.14 H new ATOM 0 HB3 ASP A 17 1.873 -3.035 -22.403 1.00 31.14 H new ATOM 267 N ALA A 18 2.206 0.114 -22.787 1.00 41.44 N ATOM 268 CA ALA A 18 1.163 1.054 -23.163 1.00 61.42 C ATOM 269 C ALA A 18 1.711 2.026 -24.209 1.00 43.33 C ATOM 270 O ALA A 18 0.952 2.590 -24.996 1.00 63.44 O ATOM 271 CB ALA A 18 0.647 1.771 -21.914 1.00 23.30 C ATOM 0 H ALA A 18 2.720 0.363 -21.942 1.00 41.44 H new ATOM 0 HA ALA A 18 0.318 0.531 -23.611 1.00 61.42 H new ATOM 0 HB1 ALA A 18 -0.135 2.476 -22.196 1.00 23.30 H new ATOM 0 HB2 ALA A 18 0.241 1.039 -21.216 1.00 23.30 H new ATOM 0 HB3 ALA A 18 1.467 2.310 -21.439 1.00 23.30 H new ATOM 277 N ILE A 19 3.025 2.194 -24.184 1.00 24.41 N ATOM 278 CA ILE A 19 3.684 3.088 -25.120 1.00 41.43 C ATOM 279 C ILE A 19 3.441 2.595 -26.548 1.00 32.22 C ATOM 280 O ILE A 19 3.325 3.396 -27.474 1.00 61.32 O ATOM 281 CB ILE A 19 5.165 3.239 -24.766 1.00 12.43 C ATOM 282 CG1 ILE A 19 5.379 4.397 -23.788 1.00 43.04 C ATOM 283 CG2 ILE A 19 6.018 3.388 -26.027 1.00 1.41 C ATOM 284 CD1 ILE A 19 4.164 4.577 -22.876 1.00 62.41 C ATOM 0 H ILE A 19 3.651 1.725 -23.529 1.00 24.41 H new ATOM 0 HA ILE A 19 3.260 4.090 -25.051 1.00 41.43 H new ATOM 0 HB ILE A 19 5.491 2.328 -24.263 1.00 12.43 H new ATOM 0 HG12 ILE A 19 6.267 4.208 -23.184 1.00 43.04 H new ATOM 0 HG13 ILE A 19 5.561 5.317 -24.343 1.00 43.04 H new ATOM 0 HG21 ILE A 19 7.066 3.494 -25.747 1.00 1.41 H new ATOM 0 HG22 ILE A 19 5.897 2.505 -26.654 1.00 1.41 H new ATOM 0 HG23 ILE A 19 5.699 4.272 -26.580 1.00 1.41 H new ATOM 0 HD11 ILE A 19 4.343 5.406 -22.191 1.00 62.41 H new ATOM 0 HD12 ILE A 19 3.283 4.790 -23.481 1.00 62.41 H new ATOM 0 HD13 ILE A 19 3.999 3.664 -22.305 1.00 62.41 H new ATOM 296 N GLY A 20 3.370 1.278 -26.681 1.00 4.42 N ATOM 297 CA GLY A 20 3.143 0.668 -27.980 1.00 10.52 C ATOM 298 C GLY A 20 1.658 0.367 -28.192 1.00 30.04 C ATOM 299 O GLY A 20 1.206 0.222 -29.326 1.00 50.24 O ATOM 0 H GLY A 20 3.466 0.617 -25.910 1.00 4.42 H new ATOM 0 HA2 GLY A 20 3.498 1.334 -28.766 1.00 10.52 H new ATOM 0 HA3 GLY A 20 3.719 -0.254 -28.059 1.00 10.52 H new ATOM 303 N SER A 21 0.940 0.281 -27.081 1.00 41.34 N ATOM 304 CA SER A 21 -0.485 0.000 -27.131 1.00 65.31 C ATOM 305 C SER A 21 -1.264 1.290 -27.390 1.00 13.40 C ATOM 306 O SER A 21 -2.494 1.292 -27.370 1.00 32.55 O ATOM 307 CB SER A 21 -0.962 -0.658 -25.835 1.00 5.34 C ATOM 308 OG SER A 21 -2.187 -1.363 -26.013 1.00 11.40 O ATOM 0 H SER A 21 1.318 0.401 -26.141 1.00 41.34 H new ATOM 0 HA SER A 21 -0.668 -0.697 -27.949 1.00 65.31 H new ATOM 0 HB2 SER A 21 -0.197 -1.346 -25.475 1.00 5.34 H new ATOM 0 HB3 SER A 21 -1.091 0.105 -25.067 1.00 5.34 H new ATOM 0 HG SER A 21 -2.457 -1.770 -25.163 1.00 11.40 H new ATOM 314 N VAL A 22 -0.517 2.358 -27.628 1.00 3.15 N ATOM 315 CA VAL A 22 -1.122 3.652 -27.890 1.00 55.51 C ATOM 316 C VAL A 22 -1.990 3.559 -29.147 1.00 43.31 C ATOM 317 O VAL A 22 -3.010 4.238 -29.253 1.00 71.04 O ATOM 318 CB VAL A 22 -0.038 4.727 -27.990 1.00 50.13 C ATOM 319 CG1 VAL A 22 -0.594 6.011 -28.608 1.00 53.44 C ATOM 320 CG2 VAL A 22 0.588 5.003 -26.622 1.00 1.51 C ATOM 0 H VAL A 22 0.503 2.353 -27.645 1.00 3.15 H new ATOM 0 HA VAL A 22 -1.773 3.943 -27.066 1.00 55.51 H new ATOM 0 HB VAL A 22 0.746 4.352 -28.648 1.00 50.13 H new ATOM 0 HG11 VAL A 22 0.197 6.758 -28.667 1.00 53.44 H new ATOM 0 HG12 VAL A 22 -0.970 5.800 -29.609 1.00 53.44 H new ATOM 0 HG13 VAL A 22 -1.406 6.391 -27.988 1.00 53.44 H new ATOM 0 HG21 VAL A 22 1.355 5.771 -26.721 1.00 1.51 H new ATOM 0 HG22 VAL A 22 -0.183 5.347 -25.932 1.00 1.51 H new ATOM 0 HG23 VAL A 22 1.038 4.088 -26.237 1.00 1.51 H new ATOM 330 N ALA A 23 -1.552 2.713 -30.068 1.00 10.11 N ATOM 331 CA ALA A 23 -2.276 2.522 -31.313 1.00 44.44 C ATOM 332 C ALA A 23 -3.554 1.727 -31.039 1.00 44.21 C ATOM 333 O ALA A 23 -4.473 1.721 -31.857 1.00 24.03 O ATOM 334 CB ALA A 23 -1.366 1.831 -32.332 1.00 13.54 C ATOM 0 H ALA A 23 -0.705 2.152 -29.977 1.00 10.11 H new ATOM 0 HA ALA A 23 -2.570 3.482 -31.737 1.00 44.44 H new ATOM 0 HB1 ALA A 23 -1.909 1.688 -33.266 1.00 13.54 H new ATOM 0 HB2 ALA A 23 -0.488 2.450 -32.514 1.00 13.54 H new ATOM 0 HB3 ALA A 23 -1.053 0.863 -31.942 1.00 13.54 H new ATOM 340 N GLY A 24 -3.571 1.076 -29.886 1.00 20.34 N ATOM 341 CA GLY A 24 -4.721 0.279 -29.493 1.00 51.03 C ATOM 342 C GLY A 24 -5.472 0.935 -28.333 1.00 33.12 C ATOM 343 O GLY A 24 -6.287 0.291 -27.673 1.00 50.23 O ATOM 0 H GLY A 24 -2.807 1.084 -29.211 1.00 20.34 H new ATOM 0 HA2 GLY A 24 -5.392 0.158 -30.343 1.00 51.03 H new ATOM 0 HA3 GLY A 24 -4.394 -0.719 -29.201 1.00 51.03 H new ATOM 347 N ILE A 25 -5.171 2.207 -28.119 1.00 13.31 N ATOM 348 CA ILE A 25 -5.808 2.957 -27.049 1.00 41.35 C ATOM 349 C ILE A 25 -6.023 4.402 -27.504 1.00 54.21 C ATOM 350 O ILE A 25 -7.155 4.884 -27.538 1.00 63.23 O ATOM 351 CB ILE A 25 -5.002 2.834 -25.755 1.00 22.41 C ATOM 352 CG1 ILE A 25 -5.248 1.481 -25.083 1.00 44.11 C ATOM 353 CG2 ILE A 25 -5.295 4.003 -24.813 1.00 3.21 C ATOM 354 CD1 ILE A 25 -4.009 0.588 -25.179 1.00 41.11 C ATOM 0 H ILE A 25 -4.495 2.738 -28.668 1.00 13.31 H new ATOM 0 HA ILE A 25 -6.791 2.542 -26.826 1.00 41.35 H new ATOM 0 HB ILE A 25 -3.943 2.881 -26.007 1.00 22.41 H new ATOM 0 HG12 ILE A 25 -5.511 1.633 -24.036 1.00 44.11 H new ATOM 0 HG13 ILE A 25 -6.096 0.985 -25.556 1.00 44.11 H new ATOM 0 HG21 ILE A 25 -4.709 3.891 -23.901 1.00 3.21 H new ATOM 0 HG22 ILE A 25 -5.029 4.940 -25.302 1.00 3.21 H new ATOM 0 HG23 ILE A 25 -6.356 4.012 -24.564 1.00 3.21 H new ATOM 0 HD11 ILE A 25 -4.210 -0.367 -24.694 1.00 41.11 H new ATOM 0 HD12 ILE A 25 -3.763 0.418 -26.227 1.00 41.11 H new ATOM 0 HD13 ILE A 25 -3.169 1.076 -24.684 1.00 41.11 H new ATOM 366 N ARG A 26 -4.920 5.053 -27.842 1.00 11.41 N ATOM 367 CA ARG A 26 -4.974 6.434 -28.293 1.00 71.40 C ATOM 368 C ARG A 26 -5.613 6.514 -29.681 1.00 31.21 C ATOM 369 O ARG A 26 -6.402 7.417 -29.954 1.00 1.34 O ATOM 370 CB ARG A 26 -3.575 7.050 -28.347 1.00 10.52 C ATOM 371 CG ARG A 26 -3.632 8.497 -28.843 1.00 33.23 C ATOM 372 CD ARG A 26 -3.517 8.559 -30.367 1.00 61.21 C ATOM 373 NE ARG A 26 -2.471 9.531 -30.756 1.00 61.44 N ATOM 374 CZ ARG A 26 -1.940 9.616 -31.995 1.00 30.23 C ATOM 375 NH1 ARG A 26 -2.354 8.786 -32.976 1.00 42.21 N ATOM 376 NH2 ARG A 26 -1.010 10.522 -32.232 1.00 12.35 N ATOM 0 H ARG A 26 -3.983 4.650 -27.813 1.00 11.41 H new ATOM 0 HA ARG A 26 -5.578 6.993 -27.578 1.00 71.40 H new ATOM 0 HB2 ARG A 26 -3.122 7.019 -27.356 1.00 10.52 H new ATOM 0 HB3 ARG A 26 -2.939 6.460 -29.007 1.00 10.52 H new ATOM 0 HG2 ARG A 26 -4.568 8.957 -28.526 1.00 33.23 H new ATOM 0 HG3 ARG A 26 -2.825 9.073 -28.390 1.00 33.23 H new ATOM 0 HD2 ARG A 26 -3.274 7.573 -30.762 1.00 61.21 H new ATOM 0 HD3 ARG A 26 -4.474 8.849 -30.801 1.00 61.21 H new ATOM 0 HE ARG A 26 -2.130 10.177 -30.044 1.00 61.44 H new ATOM 0 HH11 ARG A 26 -3.073 8.088 -32.784 1.00 42.21 H new ATOM 0 HH12 ARG A 26 -1.948 8.857 -33.909 1.00 42.21 H new ATOM 0 HH21 ARG A 26 -0.703 11.145 -31.485 1.00 12.35 H new ATOM 0 HH22 ARG A 26 -0.599 10.599 -33.162 1.00 12.35 H new ATOM 389 N GLY A 27 -5.249 5.557 -30.521 1.00 63.33 N ATOM 390 CA GLY A 27 -5.777 5.508 -31.874 1.00 65.32 C ATOM 391 C GLY A 27 -7.268 5.166 -31.869 1.00 22.51 C ATOM 392 O GLY A 27 -8.047 5.757 -32.615 1.00 2.24 O ATOM 0 H GLY A 27 -4.595 4.809 -30.291 1.00 63.33 H new ATOM 0 HA2 GLY A 27 -5.623 6.470 -32.363 1.00 65.32 H new ATOM 0 HA3 GLY A 27 -5.232 4.764 -32.454 1.00 65.32 H new ATOM 396 N ILE A 28 -7.620 4.212 -31.020 1.00 34.25 N ATOM 397 CA ILE A 28 -9.004 3.784 -30.907 1.00 75.23 C ATOM 398 C ILE A 28 -9.785 4.807 -30.079 1.00 64.03 C ATOM 399 O ILE A 28 -11.014 4.826 -30.108 1.00 12.12 O ATOM 400 CB ILE A 28 -9.082 2.359 -30.355 1.00 64.15 C ATOM 401 CG1 ILE A 28 -9.055 2.361 -28.826 1.00 1.14 C ATOM 402 CG2 ILE A 28 -7.976 1.481 -30.947 1.00 14.42 C ATOM 403 CD1 ILE A 28 -9.269 0.951 -28.271 1.00 51.25 C ATOM 0 H ILE A 28 -6.971 3.723 -30.404 1.00 34.25 H new ATOM 0 HA ILE A 28 -9.471 3.746 -31.891 1.00 75.23 H new ATOM 0 HB ILE A 28 -10.035 1.926 -30.659 1.00 64.15 H new ATOM 0 HG12 ILE A 28 -8.100 2.752 -28.476 1.00 1.14 H new ATOM 0 HG13 ILE A 28 -9.830 3.027 -28.446 1.00 1.14 H new ATOM 0 HG21 ILE A 28 -8.054 0.473 -30.539 1.00 14.42 H new ATOM 0 HG22 ILE A 28 -8.083 1.442 -32.031 1.00 14.42 H new ATOM 0 HG23 ILE A 28 -7.003 1.901 -30.693 1.00 14.42 H new ATOM 0 HD11 ILE A 28 -9.245 0.981 -27.182 1.00 51.25 H new ATOM 0 HD12 ILE A 28 -10.236 0.572 -28.602 1.00 51.25 H new ATOM 0 HD13 ILE A 28 -8.479 0.294 -28.633 1.00 51.25 H new ATOM 415 N LEU A 29 -9.038 5.633 -29.361 1.00 63.33 N ATOM 416 CA LEU A 29 -9.644 6.656 -28.527 1.00 1.22 C ATOM 417 C LEU A 29 -10.469 7.600 -29.404 1.00 10.34 C ATOM 418 O LEU A 29 -11.480 8.141 -28.959 1.00 34.00 O ATOM 419 CB LEU A 29 -8.577 7.367 -27.692 1.00 14.45 C ATOM 420 CG LEU A 29 -8.710 8.888 -27.588 1.00 53.21 C ATOM 421 CD1 LEU A 29 -8.422 9.556 -28.934 1.00 10.42 C ATOM 422 CD2 LEU A 29 -10.081 9.282 -27.034 1.00 50.44 C ATOM 0 H LEU A 29 -8.018 5.614 -29.340 1.00 63.33 H new ATOM 0 HA LEU A 29 -10.330 6.206 -27.809 1.00 1.22 H new ATOM 0 HB2 LEU A 29 -8.595 6.951 -26.685 1.00 14.45 H new ATOM 0 HB3 LEU A 29 -7.599 7.136 -28.115 1.00 14.45 H new ATOM 0 HG LEU A 29 -7.962 9.249 -26.882 1.00 53.21 H new ATOM 0 HD11 LEU A 29 -8.523 10.637 -28.833 1.00 10.42 H new ATOM 0 HD12 LEU A 29 -7.407 9.315 -29.250 1.00 10.42 H new ATOM 0 HD13 LEU A 29 -9.130 9.193 -29.679 1.00 10.42 H new ATOM 0 HD21 LEU A 29 -10.149 10.368 -26.970 1.00 50.44 H new ATOM 0 HD22 LEU A 29 -10.862 8.908 -27.696 1.00 50.44 H new ATOM 0 HD23 LEU A 29 -10.210 8.851 -26.041 1.00 50.44 H new ATOM 434 N LYS A 30 -10.007 7.770 -30.634 1.00 25.44 N ATOM 435 CA LYS A 30 -10.689 8.639 -31.577 1.00 12.03 C ATOM 436 C LYS A 30 -12.057 8.043 -31.915 1.00 61.25 C ATOM 437 O LYS A 30 -12.891 8.705 -32.531 1.00 34.43 O ATOM 438 CB LYS A 30 -9.810 8.896 -32.802 1.00 64.20 C ATOM 439 CG LYS A 30 -9.683 7.635 -33.660 1.00 0.21 C ATOM 440 CD LYS A 30 -10.613 7.702 -34.873 1.00 34.43 C ATOM 441 CE LYS A 30 -9.826 7.987 -36.153 1.00 1.41 C ATOM 442 NZ LYS A 30 -10.439 7.290 -37.305 1.00 70.41 N ATOM 0 H LYS A 30 -9.168 7.320 -30.999 1.00 25.44 H new ATOM 0 HA LYS A 30 -10.868 9.618 -31.132 1.00 12.03 H new ATOM 0 HB2 LYS A 30 -10.236 9.704 -33.397 1.00 64.20 H new ATOM 0 HB3 LYS A 30 -8.821 9.224 -32.482 1.00 64.20 H new ATOM 0 HG2 LYS A 30 -8.652 7.520 -33.994 1.00 0.21 H new ATOM 0 HG3 LYS A 30 -9.924 6.757 -33.061 1.00 0.21 H new ATOM 0 HD2 LYS A 30 -11.151 6.760 -34.975 1.00 34.43 H new ATOM 0 HD3 LYS A 30 -11.360 8.481 -34.720 1.00 34.43 H new ATOM 0 HE2 LYS A 30 -9.802 9.060 -36.341 1.00 1.41 H new ATOM 0 HE3 LYS A 30 -8.793 7.662 -36.032 1.00 1.41 H new ATOM 0 HZ1 LYS A 30 -9.892 7.494 -38.166 1.00 70.41 H new ATOM 0 HZ2 LYS A 30 -10.439 6.265 -37.130 1.00 70.41 H new ATOM 0 HZ3 LYS A 30 -11.417 7.620 -37.430 1.00 70.41 H new ATOM 455 N SER A 31 -12.244 6.799 -31.499 1.00 12.10 N ATOM 456 CA SER A 31 -13.496 6.106 -31.751 1.00 14.14 C ATOM 457 C SER A 31 -14.387 6.167 -30.508 1.00 51.51 C ATOM 458 O SER A 31 -15.570 5.837 -30.571 1.00 72.11 O ATOM 459 CB SER A 31 -13.249 4.652 -32.155 1.00 72.51 C ATOM 460 OG SER A 31 -14.079 4.252 -33.243 1.00 22.54 O ATOM 0 H SER A 31 -11.549 6.253 -30.989 1.00 12.10 H new ATOM 0 HA SER A 31 -14.002 6.604 -32.578 1.00 14.14 H new ATOM 0 HB2 SER A 31 -12.202 4.525 -32.432 1.00 72.51 H new ATOM 0 HB3 SER A 31 -13.434 4.002 -31.300 1.00 72.51 H new ATOM 0 HG SER A 31 -13.890 3.318 -33.472 1.00 22.54 H new ATOM 466 N ILE A 32 -13.784 6.593 -29.408 1.00 35.14 N ATOM 467 CA ILE A 32 -14.508 6.702 -28.152 1.00 72.14 C ATOM 468 C ILE A 32 -14.917 8.159 -27.929 1.00 5.41 C ATOM 469 O ILE A 32 -16.030 8.435 -27.485 1.00 20.23 O ATOM 470 CB ILE A 32 -13.685 6.111 -27.006 1.00 42.31 C ATOM 471 CG1 ILE A 32 -12.748 5.013 -27.513 1.00 44.32 C ATOM 472 CG2 ILE A 32 -14.592 5.615 -25.878 1.00 60.24 C ATOM 473 CD1 ILE A 32 -11.889 4.457 -26.376 1.00 31.43 C ATOM 0 H ILE A 32 -12.803 6.867 -29.360 1.00 35.14 H new ATOM 0 HA ILE A 32 -15.426 6.115 -28.189 1.00 72.14 H new ATOM 0 HB ILE A 32 -13.060 6.902 -26.592 1.00 42.31 H new ATOM 0 HG12 ILE A 32 -13.333 4.208 -27.959 1.00 44.32 H new ATOM 0 HG13 ILE A 32 -12.105 5.412 -28.297 1.00 44.32 H new ATOM 0 HG21 ILE A 32 -13.981 5.200 -25.076 1.00 60.24 H new ATOM 0 HG22 ILE A 32 -15.181 6.447 -25.492 1.00 60.24 H new ATOM 0 HG23 ILE A 32 -15.261 4.844 -26.261 1.00 60.24 H new ATOM 0 HD11 ILE A 32 -11.232 3.678 -26.764 1.00 31.43 H new ATOM 0 HD12 ILE A 32 -11.288 5.259 -25.948 1.00 31.43 H new ATOM 0 HD13 ILE A 32 -12.534 4.037 -25.605 1.00 31.43 H new ATOM 485 N ARG A 33 -13.993 9.055 -28.247 1.00 71.41 N ATOM 486 CA ARG A 33 -14.243 10.477 -28.087 1.00 21.03 C ATOM 487 C ARG A 33 -14.401 10.824 -26.605 1.00 40.40 C ATOM 488 O ARG A 33 -15.506 10.777 -26.067 1.00 71.02 O ATOM 489 CB ARG A 33 -15.504 10.903 -28.841 1.00 12.13 C ATOM 490 CG ARG A 33 -15.154 11.468 -30.219 1.00 15.32 C ATOM 491 CD ARG A 33 -14.180 12.642 -30.099 1.00 14.11 C ATOM 492 NE ARG A 33 -14.532 13.474 -28.927 1.00 14.23 N ATOM 493 CZ ARG A 33 -13.648 14.232 -28.243 1.00 73.33 C ATOM 494 NH1 ARG A 33 -12.350 14.268 -28.610 1.00 43.33 N ATOM 495 NH2 ARG A 33 -14.073 14.936 -27.211 1.00 3.03 N ATOM 0 H ARG A 33 -13.070 8.823 -28.615 1.00 71.41 H new ATOM 0 HA ARG A 33 -13.388 11.013 -28.500 1.00 21.03 H new ATOM 0 HB2 ARG A 33 -16.171 10.048 -28.953 1.00 12.13 H new ATOM 0 HB3 ARG A 33 -16.042 11.654 -28.262 1.00 12.13 H new ATOM 0 HG2 ARG A 33 -14.712 10.685 -30.835 1.00 15.32 H new ATOM 0 HG3 ARG A 33 -16.063 11.795 -30.723 1.00 15.32 H new ATOM 0 HD2 ARG A 33 -13.160 12.270 -29.998 1.00 14.11 H new ATOM 0 HD3 ARG A 33 -14.211 13.245 -31.006 1.00 14.11 H new ATOM 0 HE ARG A 33 -15.503 13.475 -28.616 1.00 14.23 H new ATOM 0 HH11 ARG A 33 -12.031 13.720 -29.409 1.00 43.33 H new ATOM 0 HH12 ARG A 33 -11.688 14.843 -28.088 1.00 43.33 H new ATOM 0 HH21 ARG A 33 -15.056 14.902 -26.941 1.00 3.03 H new ATOM 0 HH22 ARG A 33 -13.419 15.514 -26.683 1.00 3.03 H new TER 508 ARG A 33