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 Single : A 1 PHE N :NH3+ 159:sc= -0.592! (180deg=-1.5!) USER MOD Single : A 2 ASN : amide:sc= -5! C(o=-5!,f=-5.2!) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc= -5.81! C(o=-5.8!,f=-10!) USER MOD Single : A 10 LYS NZ :NH3+ -107:sc= -6.29! (180deg=-8.42!) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 14 HIS :FLIP no HD1:sc= -0.647 F(o=-2!,f=-0.65) USER MOD Single : A 21 SER OG : rot -12:sc= -1.57! 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 3.970 2.197 0.385 1.00 31.12 N ATOM 2 CA PHE A 1 4.748 1.824 1.555 1.00 51.34 C ATOM 3 C PHE A 1 5.847 0.826 1.186 1.00 24.04 C ATOM 4 O PHE A 1 6.287 0.044 2.027 1.00 25.34 O ATOM 5 CB PHE A 1 3.784 1.162 2.541 1.00 53.12 C ATOM 6 CG PHE A 1 2.553 0.536 1.882 1.00 15.32 C ATOM 7 CD1 PHE A 1 2.655 -0.031 0.650 1.00 33.15 C ATOM 8 CD2 PHE A 1 1.356 0.547 2.529 1.00 40.43 C ATOM 9 CE1 PHE A 1 1.512 -0.612 0.039 1.00 1.13 C ATOM 10 CE2 PHE A 1 0.213 -0.033 1.918 1.00 65.55 C ATOM 11 CZ PHE A 1 0.316 -0.601 0.686 1.00 54.12 C ATOM 0 H1 PHE A 1 3.047 2.569 0.686 1.00 31.12 H new ATOM 0 H2 PHE A 1 4.479 2.927 -0.152 1.00 31.12 H new ATOM 0 H3 PHE A 1 3.826 1.361 -0.217 1.00 31.12 H new ATOM 0 HA PHE A 1 5.224 2.706 1.983 1.00 51.34 H new ATOM 0 HB2 PHE A 1 4.319 0.390 3.094 1.00 53.12 H new ATOM 0 HB3 PHE A 1 3.456 1.905 3.267 1.00 53.12 H new ATOM 0 HD1 PHE A 1 3.605 -0.039 0.136 1.00 33.15 H new ATOM 0 HD2 PHE A 1 1.275 0.997 3.507 1.00 40.43 H new ATOM 0 HE1 PHE A 1 1.593 -1.062 -0.939 1.00 1.13 H new ATOM 0 HE2 PHE A 1 -0.737 -0.023 2.431 1.00 65.55 H new ATOM 0 HZ PHE A 1 -0.553 -1.044 0.222 1.00 54.12 H new ATOM 21 N ASN A 2 6.259 0.886 -0.071 1.00 64.54 N ATOM 22 CA ASN A 2 7.299 -0.004 -0.561 1.00 41.43 C ATOM 23 C ASN A 2 8.007 0.652 -1.749 1.00 1.14 C ATOM 24 O ASN A 2 9.210 0.904 -1.697 1.00 20.41 O ATOM 25 CB ASN A 2 6.708 -1.332 -1.038 1.00 3.11 C ATOM 26 CG ASN A 2 5.331 -1.574 -0.417 1.00 2.14 C ATOM 27 OD1 ASN A 2 5.174 -1.674 0.789 1.00 5.12 O ATOM 28 ND2 ASN A 2 4.345 -1.662 -1.305 1.00 21.45 N ATOM 0 H ASN A 2 5.892 1.537 -0.766 1.00 64.54 H new ATOM 0 HA ASN A 2 7.995 -0.192 0.257 1.00 41.43 H new ATOM 0 HB2 ASN A 2 6.625 -1.328 -2.125 1.00 3.11 H new ATOM 0 HB3 ASN A 2 7.379 -2.149 -0.773 1.00 3.11 H new ATOM 0 HD21 ASN A 2 3.388 -1.822 -0.990 1.00 21.45 H new ATOM 0 HD22 ASN A 2 4.546 -1.569 -2.301 1.00 21.45 H new ATOM 35 N ARG A 3 7.231 0.910 -2.791 1.00 14.24 N ATOM 36 CA ARG A 3 7.768 1.532 -3.989 1.00 23.31 C ATOM 37 C ARG A 3 7.643 3.054 -3.899 1.00 75.14 C ATOM 38 O ARG A 3 8.374 3.781 -4.570 1.00 13.22 O ATOM 39 CB ARG A 3 7.038 1.039 -5.240 1.00 0.21 C ATOM 40 CG ARG A 3 5.523 1.049 -5.029 1.00 74.45 C ATOM 41 CD ARG A 3 4.999 -0.361 -4.748 1.00 63.43 C ATOM 42 NE ARG A 3 5.282 -1.245 -5.901 1.00 74.33 N ATOM 43 CZ ARG A 3 4.561 -2.346 -6.206 1.00 10.52 C ATOM 44 NH1 ARG A 3 3.507 -2.707 -5.444 1.00 10.24 N ATOM 45 NH2 ARG A 3 4.903 -3.063 -7.260 1.00 15.20 N ATOM 0 H ARG A 3 6.234 0.699 -2.830 1.00 14.24 H new ATOM 0 HA ARG A 3 8.820 1.255 -4.064 1.00 23.31 H new ATOM 0 HB2 ARG A 3 7.295 1.673 -6.089 1.00 0.21 H new ATOM 0 HB3 ARG A 3 7.368 0.029 -5.484 1.00 0.21 H new ATOM 0 HG2 ARG A 3 5.273 1.706 -4.196 1.00 74.45 H new ATOM 0 HG3 ARG A 3 5.032 1.454 -5.914 1.00 74.45 H new ATOM 0 HD2 ARG A 3 5.469 -0.760 -3.849 1.00 63.43 H new ATOM 0 HD3 ARG A 3 3.926 -0.328 -4.559 1.00 63.43 H new ATOM 0 HE ARG A 3 6.071 -1.008 -6.503 1.00 74.33 H new ATOM 0 HH11 ARG A 3 3.250 -2.147 -4.631 1.00 10.24 H new ATOM 0 HH12 ARG A 3 2.968 -3.540 -5.681 1.00 10.24 H new ATOM 0 HH21 ARG A 3 5.701 -2.783 -7.830 1.00 15.20 H new ATOM 0 HH22 ARG A 3 4.369 -3.897 -7.504 1.00 15.20 H new ATOM 58 N GLY A 4 6.710 3.491 -3.066 1.00 30.32 N ATOM 59 CA GLY A 4 6.479 4.913 -2.880 1.00 40.20 C ATOM 60 C GLY A 4 5.447 5.437 -3.881 1.00 32.51 C ATOM 61 O GLY A 4 4.663 6.329 -3.560 1.00 71.54 O ATOM 0 H GLY A 4 6.105 2.885 -2.512 1.00 30.32 H new ATOM 0 HA2 GLY A 4 6.132 5.099 -1.864 1.00 40.20 H new ATOM 0 HA3 GLY A 4 7.416 5.456 -3.001 1.00 40.20 H new ATOM 65 N GLY A 5 5.480 4.859 -5.073 1.00 1.21 N ATOM 66 CA GLY A 5 4.557 5.256 -6.123 1.00 1.23 C ATOM 67 C GLY A 5 5.309 5.828 -7.326 1.00 51.14 C ATOM 68 O GLY A 5 4.793 5.825 -8.443 1.00 45.32 O ATOM 0 H GLY A 5 6.131 4.119 -5.335 1.00 1.21 H new ATOM 0 HA2 GLY A 5 3.964 4.396 -6.435 1.00 1.23 H new ATOM 0 HA3 GLY A 5 3.860 6.000 -5.738 1.00 1.23 H new ATOM 72 N TYR A 6 6.516 6.305 -7.058 1.00 35.11 N ATOM 73 CA TYR A 6 7.343 6.879 -8.105 1.00 64.11 C ATOM 74 C TYR A 6 8.037 5.784 -8.918 1.00 21.22 C ATOM 75 O TYR A 6 8.263 5.944 -10.116 1.00 41.12 O ATOM 76 CB TYR A 6 8.405 7.718 -7.391 1.00 23.50 C ATOM 77 CG TYR A 6 9.177 6.956 -6.311 1.00 40.24 C ATOM 78 CD1 TYR A 6 10.275 6.194 -6.656 1.00 3.53 C ATOM 79 CD2 TYR A 6 8.775 7.031 -4.993 1.00 40.03 C ATOM 80 CE1 TYR A 6 11.002 5.478 -5.640 1.00 33.14 C ATOM 81 CE2 TYR A 6 9.501 6.314 -3.977 1.00 44.52 C ATOM 82 CZ TYR A 6 10.579 5.573 -4.350 1.00 50.35 C ATOM 83 OH TYR A 6 11.265 4.897 -3.391 1.00 20.42 O ATOM 0 H TYR A 6 6.941 6.306 -6.131 1.00 35.11 H new ATOM 0 HA TYR A 6 6.737 7.469 -8.793 1.00 64.11 H new ATOM 0 HB2 TYR A 6 9.112 8.096 -8.130 1.00 23.50 H new ATOM 0 HB3 TYR A 6 7.924 8.584 -6.937 1.00 23.50 H new ATOM 0 HD1 TYR A 6 10.589 6.135 -7.688 1.00 3.53 H new ATOM 0 HD2 TYR A 6 7.916 7.627 -4.724 1.00 40.03 H new ATOM 0 HE1 TYR A 6 11.864 4.879 -5.896 1.00 33.14 H new ATOM 0 HE2 TYR A 6 9.196 6.363 -2.942 1.00 44.52 H new ATOM 0 HH TYR A 6 10.851 5.058 -2.518 1.00 20.42 H new ATOM 93 N ASN A 7 8.356 4.695 -8.233 1.00 53.21 N ATOM 94 CA ASN A 7 9.019 3.574 -8.876 1.00 60.25 C ATOM 95 C ASN A 7 10.111 4.100 -9.811 1.00 15.24 C ATOM 96 O ASN A 7 10.516 5.257 -9.707 1.00 63.32 O ATOM 97 CB ASN A 7 8.033 2.758 -9.714 1.00 70.53 C ATOM 98 CG ASN A 7 7.602 3.531 -10.962 1.00 12.21 C ATOM 99 OD1 ASN A 7 8.302 3.592 -11.959 1.00 41.30 O ATOM 100 ND2 ASN A 7 6.413 4.117 -10.851 1.00 71.11 N ATOM 0 H ASN A 7 8.167 4.566 -7.239 1.00 53.21 H new ATOM 0 HA ASN A 7 9.441 2.940 -8.096 1.00 60.25 H new ATOM 0 HB2 ASN A 7 8.494 1.815 -10.007 1.00 70.53 H new ATOM 0 HB3 ASN A 7 7.157 2.512 -9.114 1.00 70.53 H new ATOM 0 HD21 ASN A 7 6.036 4.657 -11.630 1.00 71.11 H new ATOM 0 HD22 ASN A 7 5.878 4.026 -9.987 1.00 71.11 H new ATOM 107 N PHE A 8 10.555 3.226 -10.701 1.00 73.23 N ATOM 108 CA PHE A 8 11.591 3.588 -11.653 1.00 63.10 C ATOM 109 C PHE A 8 12.186 2.344 -12.316 1.00 23.34 C ATOM 110 O PHE A 8 13.399 2.256 -12.504 1.00 54.11 O ATOM 111 CB PHE A 8 12.689 4.307 -10.867 1.00 22.35 C ATOM 112 CG PHE A 8 12.920 3.743 -9.463 1.00 62.21 C ATOM 113 CD1 PHE A 8 12.618 2.444 -9.194 1.00 3.32 C ATOM 114 CD2 PHE A 8 13.427 4.540 -8.485 1.00 25.01 C ATOM 115 CE1 PHE A 8 12.833 1.921 -7.891 1.00 73.13 C ATOM 116 CE2 PHE A 8 13.642 4.017 -7.182 1.00 71.55 C ATOM 117 CZ PHE A 8 13.340 2.718 -6.913 1.00 40.11 C ATOM 0 H PHE A 8 10.216 2.267 -10.783 1.00 73.23 H new ATOM 0 HA PHE A 8 11.172 4.219 -12.437 1.00 63.10 H new ATOM 0 HB2 PHE A 8 13.621 4.249 -11.429 1.00 22.35 H new ATOM 0 HB3 PHE A 8 12.431 5.363 -10.785 1.00 22.35 H new ATOM 0 HD1 PHE A 8 12.215 1.811 -9.971 1.00 3.32 H new ATOM 0 HD2 PHE A 8 13.666 5.571 -8.699 1.00 25.01 H new ATOM 0 HE1 PHE A 8 12.594 0.890 -7.677 1.00 73.13 H new ATOM 0 HE2 PHE A 8 14.045 4.650 -6.405 1.00 71.55 H new ATOM 0 HZ PHE A 8 13.503 2.320 -5.922 1.00 40.11 H new ATOM 127 N GLY A 9 11.306 1.412 -12.651 1.00 15.43 N ATOM 128 CA GLY A 9 11.729 0.177 -13.288 1.00 55.12 C ATOM 129 C GLY A 9 10.522 -0.670 -13.698 1.00 12.32 C ATOM 130 O GLY A 9 10.402 -1.067 -14.856 1.00 12.42 O ATOM 0 H GLY A 9 10.301 1.488 -12.493 1.00 15.43 H new ATOM 0 HA2 GLY A 9 12.333 0.405 -14.166 1.00 55.12 H new ATOM 0 HA3 GLY A 9 12.361 -0.391 -12.605 1.00 55.12 H new ATOM 134 N LYS A 10 9.658 -0.921 -12.725 1.00 23.50 N ATOM 135 CA LYS A 10 8.465 -1.714 -12.970 1.00 2.13 C ATOM 136 C LYS A 10 7.545 -0.959 -13.931 1.00 0.31 C ATOM 137 O LYS A 10 7.173 -1.482 -14.980 1.00 64.22 O ATOM 138 CB LYS A 10 7.795 -2.095 -11.648 1.00 73.03 C ATOM 139 CG LYS A 10 8.831 -2.261 -10.535 1.00 44.13 C ATOM 140 CD LYS A 10 8.793 -1.075 -9.569 1.00 62.13 C ATOM 141 CE LYS A 10 7.497 -1.072 -8.756 1.00 24.22 C ATOM 142 NZ LYS A 10 7.489 -2.194 -7.791 1.00 33.41 N ATOM 0 H LYS A 10 9.760 -0.589 -11.766 1.00 23.50 H new ATOM 0 HA LYS A 10 8.725 -2.656 -13.452 1.00 2.13 H new ATOM 0 HB2 LYS A 10 7.074 -1.327 -11.367 1.00 73.03 H new ATOM 0 HB3 LYS A 10 7.238 -3.024 -11.773 1.00 73.03 H new ATOM 0 HG2 LYS A 10 8.639 -3.185 -9.990 1.00 44.13 H new ATOM 0 HG3 LYS A 10 9.827 -2.348 -10.970 1.00 44.13 H new ATOM 0 HD2 LYS A 10 9.649 -1.122 -8.896 1.00 62.13 H new ATOM 0 HD3 LYS A 10 8.878 -0.143 -10.128 1.00 62.13 H new ATOM 0 HE2 LYS A 10 7.397 -0.126 -8.224 1.00 24.22 H new ATOM 0 HE3 LYS A 10 6.641 -1.154 -9.425 1.00 24.22 H new ATOM 0 HZ1 LYS A 10 6.824 -2.925 -8.115 1.00 33.41 H new ATOM 0 HZ2 LYS A 10 8.444 -2.600 -7.723 1.00 33.41 H new ATOM 0 HZ3 LYS A 10 7.193 -1.846 -6.857 1.00 33.41 H new ATOM 155 N SER A 11 7.204 0.260 -13.538 1.00 71.22 N ATOM 156 CA SER A 11 6.334 1.092 -14.352 1.00 2.21 C ATOM 157 C SER A 11 6.915 1.236 -15.760 1.00 2.41 C ATOM 158 O SER A 11 6.172 1.331 -16.735 1.00 70.35 O ATOM 159 CB SER A 11 6.137 2.469 -13.715 1.00 51.55 C ATOM 160 OG SER A 11 5.008 3.151 -14.257 1.00 23.15 O ATOM 0 H SER A 11 7.514 0.691 -12.667 1.00 71.22 H new ATOM 0 HA SER A 11 5.359 0.608 -14.416 1.00 2.21 H new ATOM 0 HB2 SER A 11 6.010 2.356 -12.638 1.00 51.55 H new ATOM 0 HB3 SER A 11 7.033 3.071 -13.869 1.00 51.55 H new ATOM 0 HG SER A 11 4.915 4.025 -13.824 1.00 23.15 H new ATOM 166 N VAL A 12 8.239 1.249 -15.821 1.00 13.12 N ATOM 167 CA VAL A 12 8.928 1.380 -17.093 1.00 41.22 C ATOM 168 C VAL A 12 8.567 0.193 -17.989 1.00 0.34 C ATOM 169 O VAL A 12 8.477 0.335 -19.207 1.00 41.21 O ATOM 170 CB VAL A 12 10.434 1.517 -16.861 1.00 2.34 C ATOM 171 CG1 VAL A 12 11.222 1.082 -18.098 1.00 32.32 C ATOM 172 CG2 VAL A 12 10.798 2.947 -16.454 1.00 22.52 C ATOM 0 H VAL A 12 8.852 1.171 -15.010 1.00 13.12 H new ATOM 0 HA VAL A 12 8.608 2.286 -17.608 1.00 41.22 H new ATOM 0 HB VAL A 12 10.708 0.854 -16.040 1.00 2.34 H new ATOM 0 HG11 VAL A 12 12.290 1.190 -17.906 1.00 32.32 H new ATOM 0 HG12 VAL A 12 10.997 0.040 -18.325 1.00 32.32 H new ATOM 0 HG13 VAL A 12 10.941 1.706 -18.946 1.00 32.32 H new ATOM 0 HG21 VAL A 12 11.874 3.017 -16.295 1.00 22.52 H new ATOM 0 HG22 VAL A 12 10.502 3.637 -17.244 1.00 22.52 H new ATOM 0 HG23 VAL A 12 10.277 3.207 -15.532 1.00 22.52 H new ATOM 182 N ARG A 13 8.370 -0.950 -17.350 1.00 31.53 N ATOM 183 CA ARG A 13 8.021 -2.161 -18.073 1.00 74.32 C ATOM 184 C ARG A 13 6.618 -2.036 -18.672 1.00 20.24 C ATOM 185 O ARG A 13 6.350 -2.563 -19.750 1.00 44.14 O ATOM 186 CB ARG A 13 8.069 -3.384 -17.155 1.00 72.54 C ATOM 187 CG ARG A 13 9.437 -3.511 -16.482 1.00 71.22 C ATOM 188 CD ARG A 13 10.557 -3.075 -17.429 1.00 54.33 C ATOM 189 NE ARG A 13 10.491 -3.856 -18.684 1.00 65.52 N ATOM 190 CZ ARG A 13 10.785 -5.171 -18.773 1.00 65.12 C ATOM 191 NH1 ARG A 13 11.168 -5.863 -17.679 1.00 61.10 N ATOM 192 NH2 ARG A 13 10.693 -5.770 -19.946 1.00 44.41 N ATOM 0 H ARG A 13 8.445 -1.063 -16.339 1.00 31.53 H new ATOM 0 HA ARG A 13 8.751 -2.292 -18.872 1.00 74.32 H new ATOM 0 HB2 ARG A 13 7.292 -3.303 -16.395 1.00 72.54 H new ATOM 0 HB3 ARG A 13 7.858 -4.285 -17.732 1.00 72.54 H new ATOM 0 HG2 ARG A 13 9.460 -2.900 -15.580 1.00 71.22 H new ATOM 0 HG3 ARG A 13 9.599 -4.543 -16.172 1.00 71.22 H new ATOM 0 HD2 ARG A 13 10.466 -2.011 -17.648 1.00 54.33 H new ATOM 0 HD3 ARG A 13 11.526 -3.220 -16.951 1.00 54.33 H new ATOM 0 HE ARG A 13 10.206 -3.371 -19.535 1.00 65.52 H new ATOM 0 HH11 ARG A 13 11.237 -5.393 -16.776 1.00 61.10 H new ATOM 0 HH12 ARG A 13 11.388 -6.856 -17.755 1.00 61.10 H new ATOM 0 HH21 ARG A 13 10.403 -5.240 -20.768 1.00 44.41 H new ATOM 0 HH22 ARG A 13 10.912 -6.763 -20.030 1.00 44.41 H new ATOM 205 N HIS A 14 5.760 -1.336 -17.945 1.00 14.21 N ATOM 206 CA HIS A 14 4.391 -1.135 -18.390 1.00 43.15 C ATOM 207 C HIS A 14 4.362 -0.080 -19.498 1.00 11.40 C ATOM 208 O HIS A 14 3.669 -0.246 -20.501 1.00 11.45 O ATOM 209 CB HIS A 14 3.482 -0.782 -17.211 1.00 63.44 C ATOM 210 CG HIS A 14 2.348 0.148 -17.567 1.00 54.35 C ATOM 211 ND1 HIS A 14 2.358 1.440 -18.005 1.00 14.24 N flip ATOM 212 CD2 HIS A 14 1.018 -0.226 -17.487 1.00 45.13 C flip ATOM 213 CE1 HIS A 14 1.103 1.833 -18.184 1.00 75.12 C flip ATOM 214 NE2 HIS A 14 0.271 0.802 -17.862 1.00 4.22 N flip ATOM 0 H HIS A 14 5.986 -0.901 -17.051 1.00 14.21 H new ATOM 0 HA HIS A 14 4.001 -2.063 -18.808 1.00 43.15 H new ATOM 0 HB2 HIS A 14 3.068 -1.701 -16.797 1.00 63.44 H new ATOM 0 HB3 HIS A 14 4.083 -0.322 -16.427 1.00 63.44 H new ATOM 0 HD2 HIS A 14 0.651 -1.192 -17.172 1.00 45.13 H new ATOM 0 HE1 HIS A 14 0.792 2.808 -18.528 1.00 75.12 H new ATOM 0 HE2 HIS A 14 -0.748 0.819 -17.903 1.00 4.22 H new ATOM 222 N VAL A 15 5.123 0.983 -19.279 1.00 71.32 N ATOM 223 CA VAL A 15 5.193 2.065 -20.246 1.00 51.01 C ATOM 224 C VAL A 15 5.895 1.568 -21.511 1.00 42.14 C ATOM 225 O VAL A 15 5.556 1.984 -22.618 1.00 74.01 O ATOM 226 CB VAL A 15 5.878 3.282 -19.621 1.00 21.22 C ATOM 227 CG1 VAL A 15 7.378 3.283 -19.924 1.00 73.40 C ATOM 228 CG2 VAL A 15 5.223 4.582 -20.091 1.00 73.12 C ATOM 0 H VAL A 15 5.696 1.118 -18.446 1.00 71.32 H new ATOM 0 HA VAL A 15 4.192 2.385 -20.534 1.00 51.01 H new ATOM 0 HB VAL A 15 5.755 3.217 -18.540 1.00 21.22 H new ATOM 0 HG11 VAL A 15 7.841 4.158 -19.468 1.00 73.40 H new ATOM 0 HG12 VAL A 15 7.832 2.379 -19.517 1.00 73.40 H new ATOM 0 HG13 VAL A 15 7.531 3.312 -21.003 1.00 73.40 H new ATOM 0 HG21 VAL A 15 5.729 5.431 -19.632 1.00 73.12 H new ATOM 0 HG22 VAL A 15 5.300 4.657 -21.176 1.00 73.12 H new ATOM 0 HG23 VAL A 15 4.172 4.586 -19.801 1.00 73.12 H new ATOM 238 N VAL A 16 6.861 0.685 -21.305 1.00 45.45 N ATOM 239 CA VAL A 16 7.614 0.127 -22.416 1.00 5.41 C ATOM 240 C VAL A 16 6.643 -0.464 -23.439 1.00 71.21 C ATOM 241 O VAL A 16 6.804 -0.264 -24.642 1.00 4.51 O ATOM 242 CB VAL A 16 8.632 -0.892 -21.899 1.00 13.23 C ATOM 243 CG1 VAL A 16 9.005 -1.896 -22.991 1.00 21.24 C ATOM 244 CG2 VAL A 16 9.876 -0.193 -21.348 1.00 2.15 C ATOM 0 H VAL A 16 7.140 0.342 -20.386 1.00 45.45 H new ATOM 0 HA VAL A 16 8.183 0.907 -22.922 1.00 5.41 H new ATOM 0 HB VAL A 16 8.168 -1.444 -21.081 1.00 13.23 H new ATOM 0 HG11 VAL A 16 9.730 -2.609 -22.598 1.00 21.24 H new ATOM 0 HG12 VAL A 16 8.111 -2.429 -23.316 1.00 21.24 H new ATOM 0 HG13 VAL A 16 9.440 -1.367 -23.839 1.00 21.24 H new ATOM 0 HG21 VAL A 16 10.583 -0.940 -20.987 1.00 2.15 H new ATOM 0 HG22 VAL A 16 10.342 0.396 -22.138 1.00 2.15 H new ATOM 0 HG23 VAL A 16 9.590 0.463 -20.526 1.00 2.15 H new ATOM 254 N ASP A 17 5.655 -1.181 -22.924 1.00 23.40 N ATOM 255 CA ASP A 17 4.658 -1.804 -23.778 1.00 13.51 C ATOM 256 C ASP A 17 3.708 -0.729 -24.312 1.00 21.14 C ATOM 257 O ASP A 17 3.097 -0.903 -25.365 1.00 65.21 O ATOM 258 CB ASP A 17 3.826 -2.825 -22.999 1.00 42.05 C ATOM 259 CG ASP A 17 3.717 -4.204 -23.654 1.00 3.40 C ATOM 260 OD1 ASP A 17 3.998 -4.366 -24.851 1.00 21.43 O ATOM 261 OD2 ASP A 17 3.320 -5.149 -22.871 1.00 53.22 O ATOM 0 H ASP A 17 5.524 -1.344 -21.926 1.00 23.40 H new ATOM 0 HA ASP A 17 5.178 -2.309 -24.592 1.00 13.51 H new ATOM 0 HB2 ASP A 17 4.260 -2.944 -22.006 1.00 42.05 H new ATOM 0 HB3 ASP A 17 2.822 -2.424 -22.861 1.00 42.05 H new ATOM 267 N ALA A 18 3.613 0.358 -23.560 1.00 64.12 N ATOM 268 CA ALA A 18 2.749 1.460 -23.945 1.00 15.45 C ATOM 269 C ALA A 18 3.186 1.994 -25.310 1.00 1.20 C ATOM 270 O ALA A 18 2.389 2.592 -26.031 1.00 70.35 O ATOM 271 CB ALA A 18 2.782 2.538 -22.859 1.00 42.21 C ATOM 0 H ALA A 18 4.120 0.499 -22.686 1.00 64.12 H new ATOM 0 HA ALA A 18 1.717 1.123 -24.039 1.00 15.45 H new ATOM 0 HB1 ALA A 18 2.134 3.365 -23.148 1.00 42.21 H new ATOM 0 HB2 ALA A 18 2.434 2.116 -21.916 1.00 42.21 H new ATOM 0 HB3 ALA A 18 3.802 2.902 -22.738 1.00 42.21 H new ATOM 277 N ILE A 19 4.452 1.759 -25.624 1.00 12.35 N ATOM 278 CA ILE A 19 5.005 2.209 -26.890 1.00 0.04 C ATOM 279 C ILE A 19 4.258 1.528 -28.038 1.00 63.22 C ATOM 280 O ILE A 19 4.222 2.046 -29.153 1.00 74.12 O ATOM 281 CB ILE A 19 6.518 1.986 -26.922 1.00 44.43 C ATOM 282 CG1 ILE A 19 7.250 3.075 -26.134 1.00 51.14 C ATOM 283 CG2 ILE A 19 7.026 1.881 -28.362 1.00 2.42 C ATOM 284 CD1 ILE A 19 8.084 2.468 -25.005 1.00 31.43 C ATOM 0 H ILE A 19 5.110 1.263 -25.023 1.00 12.35 H new ATOM 0 HA ILE A 19 4.862 3.283 -27.009 1.00 0.04 H new ATOM 0 HB ILE A 19 6.734 1.036 -26.434 1.00 44.43 H new ATOM 0 HG12 ILE A 19 7.896 3.642 -26.804 1.00 51.14 H new ATOM 0 HG13 ILE A 19 6.527 3.777 -25.720 1.00 51.14 H new ATOM 0 HG21 ILE A 19 8.104 1.723 -28.357 1.00 2.42 H new ATOM 0 HG22 ILE A 19 6.539 1.043 -28.860 1.00 2.42 H new ATOM 0 HG23 ILE A 19 6.797 2.803 -28.897 1.00 2.42 H new ATOM 0 HD11 ILE A 19 8.594 3.263 -24.461 1.00 31.43 H new ATOM 0 HD12 ILE A 19 7.431 1.923 -24.323 1.00 31.43 H new ATOM 0 HD13 ILE A 19 8.822 1.785 -25.425 1.00 31.43 H new ATOM 296 N GLY A 20 3.681 0.377 -27.726 1.00 63.32 N ATOM 297 CA GLY A 20 2.938 -0.381 -28.718 1.00 54.24 C ATOM 298 C GLY A 20 1.438 -0.359 -28.415 1.00 2.55 C ATOM 299 O GLY A 20 0.615 -0.459 -29.323 1.00 65.13 O ATOM 0 H GLY A 20 3.713 -0.049 -26.800 1.00 63.32 H new ATOM 0 HA2 GLY A 20 3.119 0.035 -29.709 1.00 54.24 H new ATOM 0 HA3 GLY A 20 3.294 -1.411 -28.735 1.00 54.24 H new ATOM 303 N SER A 21 1.129 -0.226 -27.133 1.00 75.21 N ATOM 304 CA SER A 21 -0.257 -0.189 -26.698 1.00 74.41 C ATOM 305 C SER A 21 -0.909 1.123 -27.137 1.00 51.35 C ATOM 306 O SER A 21 -2.095 1.153 -27.464 1.00 45.14 O ATOM 307 CB SER A 21 -0.363 -0.352 -25.180 1.00 63.35 C ATOM 308 OG SER A 21 0.816 -0.927 -24.622 1.00 51.22 O ATOM 0 H SER A 21 1.814 -0.143 -26.382 1.00 75.21 H new ATOM 0 HA SER A 21 -0.783 -1.022 -27.164 1.00 74.41 H new ATOM 0 HB2 SER A 21 -0.544 0.621 -24.722 1.00 63.35 H new ATOM 0 HB3 SER A 21 -1.221 -0.981 -24.942 1.00 63.35 H new ATOM 0 HG SER A 21 1.379 -1.282 -25.341 1.00 51.22 H new ATOM 314 N VAL A 22 -0.106 2.177 -27.131 1.00 22.11 N ATOM 315 CA VAL A 22 -0.589 3.489 -27.525 1.00 14.22 C ATOM 316 C VAL A 22 -1.101 3.428 -28.965 1.00 51.24 C ATOM 317 O VAL A 22 -2.026 4.153 -29.331 1.00 24.32 O ATOM 318 CB VAL A 22 0.510 4.534 -27.325 1.00 23.03 C ATOM 319 CG1 VAL A 22 1.734 4.214 -28.186 1.00 32.23 C ATOM 320 CG2 VAL A 22 -0.012 5.942 -27.616 1.00 1.30 C ATOM 0 H VAL A 22 0.877 2.149 -26.859 1.00 22.11 H new ATOM 0 HA VAL A 22 -1.425 3.793 -26.895 1.00 14.22 H new ATOM 0 HB VAL A 22 0.817 4.501 -26.280 1.00 23.03 H new ATOM 0 HG11 VAL A 22 2.500 4.972 -28.025 1.00 32.23 H new ATOM 0 HG12 VAL A 22 2.128 3.236 -27.910 1.00 32.23 H new ATOM 0 HG13 VAL A 22 1.447 4.206 -29.238 1.00 32.23 H new ATOM 0 HG21 VAL A 22 0.789 6.665 -27.466 1.00 1.30 H new ATOM 0 HG22 VAL A 22 -0.360 5.995 -28.647 1.00 1.30 H new ATOM 0 HG23 VAL A 22 -0.838 6.170 -26.942 1.00 1.30 H new ATOM 330 N ALA A 23 -0.478 2.557 -29.745 1.00 25.14 N ATOM 331 CA ALA A 23 -0.858 2.392 -31.137 1.00 72.22 C ATOM 332 C ALA A 23 -2.214 1.687 -31.211 1.00 13.24 C ATOM 333 O ALA A 23 -2.877 1.715 -32.247 1.00 21.34 O ATOM 334 CB ALA A 23 0.238 1.625 -31.879 1.00 23.21 C ATOM 0 H ALA A 23 0.288 1.958 -29.439 1.00 25.14 H new ATOM 0 HA ALA A 23 -0.963 3.362 -31.623 1.00 72.22 H new ATOM 0 HB1 ALA A 23 -0.048 1.501 -32.924 1.00 23.21 H new ATOM 0 HB2 ALA A 23 1.174 2.181 -31.822 1.00 23.21 H new ATOM 0 HB3 ALA A 23 0.370 0.645 -31.421 1.00 23.21 H new ATOM 340 N GLY A 24 -2.587 1.072 -30.098 1.00 2.53 N ATOM 341 CA GLY A 24 -3.852 0.362 -30.023 1.00 30.22 C ATOM 342 C GLY A 24 -4.678 0.837 -28.826 1.00 11.40 C ATOM 343 O GLY A 24 -5.523 0.101 -28.318 1.00 45.21 O ATOM 0 H GLY A 24 -2.035 1.051 -29.241 1.00 2.53 H new ATOM 0 HA2 GLY A 24 -4.416 0.518 -30.943 1.00 30.22 H new ATOM 0 HA3 GLY A 24 -3.667 -0.709 -29.940 1.00 30.22 H new ATOM 347 N ILE A 25 -4.406 2.066 -28.410 1.00 64.51 N ATOM 348 CA ILE A 25 -5.113 2.648 -27.283 1.00 11.14 C ATOM 349 C ILE A 25 -5.377 4.129 -27.562 1.00 3.24 C ATOM 350 O ILE A 25 -6.491 4.612 -27.368 1.00 53.22 O ATOM 351 CB ILE A 25 -4.349 2.394 -25.981 1.00 73.25 C ATOM 352 CG1 ILE A 25 -4.586 0.969 -25.476 1.00 53.20 C ATOM 353 CG2 ILE A 25 -4.702 3.443 -24.925 1.00 24.11 C ATOM 354 CD1 ILE A 25 -3.266 0.207 -25.345 1.00 50.22 C ATOM 0 H ILE A 25 -3.705 2.674 -28.834 1.00 64.51 H new ATOM 0 HA ILE A 25 -6.084 2.169 -27.154 1.00 11.14 H new ATOM 0 HB ILE A 25 -3.283 2.490 -26.186 1.00 73.25 H new ATOM 0 HG12 ILE A 25 -5.089 1.001 -24.510 1.00 53.20 H new ATOM 0 HG13 ILE A 25 -5.248 0.441 -26.163 1.00 53.20 H new ATOM 0 HG21 ILE A 25 -4.146 3.240 -24.010 1.00 24.11 H new ATOM 0 HG22 ILE A 25 -4.441 4.434 -25.295 1.00 24.11 H new ATOM 0 HG23 ILE A 25 -5.771 3.404 -24.716 1.00 24.11 H new ATOM 0 HD11 ILE A 25 -3.463 -0.803 -24.984 1.00 50.22 H new ATOM 0 HD12 ILE A 25 -2.777 0.156 -26.318 1.00 50.22 H new ATOM 0 HD13 ILE A 25 -2.616 0.724 -24.639 1.00 50.22 H new ATOM 366 N ARG A 26 -4.332 4.809 -28.012 1.00 32.33 N ATOM 367 CA ARG A 26 -4.437 6.225 -28.319 1.00 62.03 C ATOM 368 C ARG A 26 -5.409 6.446 -29.480 1.00 20.31 C ATOM 369 O ARG A 26 -6.310 7.278 -29.390 1.00 2.52 O ATOM 370 CB ARG A 26 -3.072 6.811 -28.688 1.00 32.24 C ATOM 371 CG ARG A 26 -2.852 8.160 -28.001 1.00 44.33 C ATOM 372 CD ARG A 26 -1.360 8.483 -27.892 1.00 61.34 C ATOM 373 NE ARG A 26 -1.145 9.940 -28.036 1.00 72.15 N ATOM 374 CZ ARG A 26 -1.073 10.581 -29.222 1.00 60.25 C ATOM 375 NH1 ARG A 26 -1.198 9.897 -30.380 1.00 21.34 N ATOM 376 NH2 ARG A 26 -0.878 11.886 -29.234 1.00 12.33 N ATOM 0 H ARG A 26 -3.409 4.405 -28.171 1.00 32.33 H new ATOM 0 HA ARG A 26 -4.809 6.731 -27.428 1.00 62.03 H new ATOM 0 HB2 ARG A 26 -2.283 6.117 -28.397 1.00 32.24 H new ATOM 0 HB3 ARG A 26 -3.005 6.934 -29.769 1.00 32.24 H new ATOM 0 HG2 ARG A 26 -3.358 8.945 -28.563 1.00 44.33 H new ATOM 0 HG3 ARG A 26 -3.298 8.143 -27.006 1.00 44.33 H new ATOM 0 HD2 ARG A 26 -0.976 8.144 -26.930 1.00 61.34 H new ATOM 0 HD3 ARG A 26 -0.806 7.948 -28.663 1.00 61.34 H new ATOM 0 HE ARG A 26 -1.045 10.495 -27.186 1.00 72.15 H new ATOM 0 HH11 ARG A 26 -1.348 8.888 -30.363 1.00 21.34 H new ATOM 0 HH12 ARG A 26 -1.142 10.389 -31.272 1.00 21.34 H new ATOM 0 HH21 ARG A 26 -0.784 12.396 -28.355 1.00 12.33 H new ATOM 0 HH22 ARG A 26 -0.821 12.385 -30.122 1.00 12.33 H new ATOM 389 N GLY A 27 -5.194 5.685 -30.543 1.00 43.21 N ATOM 390 CA GLY A 27 -6.040 5.787 -31.720 1.00 43.31 C ATOM 391 C GLY A 27 -7.490 5.431 -31.386 1.00 24.13 C ATOM 392 O GLY A 27 -8.418 6.085 -31.858 1.00 11.23 O ATOM 0 H GLY A 27 -4.446 4.995 -30.614 1.00 43.21 H new ATOM 0 HA2 GLY A 27 -5.993 6.800 -32.119 1.00 43.31 H new ATOM 0 HA3 GLY A 27 -5.668 5.121 -32.498 1.00 43.31 H new ATOM 396 N ILE A 28 -7.639 4.394 -30.574 1.00 5.50 N ATOM 397 CA ILE A 28 -8.960 3.943 -30.171 1.00 3.30 C ATOM 398 C ILE A 28 -9.500 4.870 -29.080 1.00 5.11 C ATOM 399 O ILE A 28 -10.699 4.882 -28.808 1.00 51.12 O ATOM 400 CB ILE A 28 -8.921 2.469 -29.762 1.00 41.42 C ATOM 401 CG1 ILE A 28 -8.520 2.318 -28.293 1.00 52.23 C ATOM 402 CG2 ILE A 28 -8.008 1.667 -30.691 1.00 23.30 C ATOM 403 CD1 ILE A 28 -9.710 1.866 -27.444 1.00 41.31 C ATOM 0 H ILE A 28 -6.867 3.854 -30.185 1.00 5.50 H new ATOM 0 HA ILE A 28 -9.654 3.999 -31.010 1.00 3.30 H new ATOM 0 HB ILE A 28 -9.926 2.059 -29.865 1.00 41.42 H new ATOM 0 HG12 ILE A 28 -7.710 1.593 -28.206 1.00 52.23 H new ATOM 0 HG13 ILE A 28 -8.140 3.268 -27.917 1.00 52.23 H new ATOM 0 HG21 ILE A 28 -7.998 0.623 -30.379 1.00 23.30 H new ATOM 0 HG22 ILE A 28 -8.378 1.736 -31.714 1.00 23.30 H new ATOM 0 HG23 ILE A 28 -6.996 2.070 -30.643 1.00 23.30 H new ATOM 0 HD11 ILE A 28 -9.398 1.766 -26.404 1.00 41.31 H new ATOM 0 HD12 ILE A 28 -10.508 2.605 -27.514 1.00 41.31 H new ATOM 0 HD13 ILE A 28 -10.072 0.905 -27.808 1.00 41.31 H new ATOM 415 N LEU A 29 -8.588 5.624 -28.484 1.00 44.21 N ATOM 416 CA LEU A 29 -8.957 6.552 -27.429 1.00 11.13 C ATOM 417 C LEU A 29 -9.949 7.577 -27.981 1.00 53.33 C ATOM 418 O LEU A 29 -10.813 8.065 -27.254 1.00 0.21 O ATOM 419 CB LEU A 29 -7.709 7.179 -26.805 1.00 25.10 C ATOM 420 CG LEU A 29 -7.530 6.963 -25.301 1.00 2.33 C ATOM 421 CD1 LEU A 29 -8.814 7.304 -24.542 1.00 5.53 C ATOM 422 CD2 LEU A 29 -7.049 5.541 -25.004 1.00 12.40 C ATOM 0 H LEU A 29 -7.594 5.611 -28.712 1.00 44.21 H new ATOM 0 HA LEU A 29 -9.460 6.025 -26.618 1.00 11.13 H new ATOM 0 HB2 LEU A 29 -6.832 6.781 -27.316 1.00 25.10 H new ATOM 0 HB3 LEU A 29 -7.730 8.252 -26.998 1.00 25.10 H new ATOM 0 HG LEU A 29 -6.756 7.644 -24.948 1.00 2.33 H new ATOM 0 HD11 LEU A 29 -8.660 7.142 -23.475 1.00 5.53 H new ATOM 0 HD12 LEU A 29 -9.074 8.348 -24.717 1.00 5.53 H new ATOM 0 HD13 LEU A 29 -9.625 6.665 -24.893 1.00 5.53 H new ATOM 0 HD21 LEU A 29 -6.930 5.414 -23.928 1.00 12.40 H new ATOM 0 HD22 LEU A 29 -7.782 4.824 -25.375 1.00 12.40 H new ATOM 0 HD23 LEU A 29 -6.092 5.370 -25.497 1.00 12.40 H new ATOM 434 N LYS A 30 -9.793 7.874 -29.263 1.00 63.41 N ATOM 435 CA LYS A 30 -10.664 8.832 -29.922 1.00 31.14 C ATOM 436 C LYS A 30 -12.084 8.265 -29.983 1.00 10.52 C ATOM 437 O LYS A 30 -13.028 8.981 -30.314 1.00 10.22 O ATOM 438 CB LYS A 30 -10.097 9.220 -31.289 1.00 14.23 C ATOM 439 CG LYS A 30 -10.207 8.058 -32.278 1.00 11.02 C ATOM 440 CD LYS A 30 -11.395 8.252 -33.222 1.00 40.24 C ATOM 441 CE LYS A 30 -10.924 8.668 -34.617 1.00 61.55 C ATOM 442 NZ LYS A 30 -11.797 8.078 -35.656 1.00 74.54 N ATOM 0 H LYS A 30 -9.075 7.467 -29.863 1.00 63.41 H new ATOM 0 HA LYS A 30 -10.714 9.758 -29.350 1.00 31.14 H new ATOM 0 HB2 LYS A 30 -10.635 10.085 -31.677 1.00 14.23 H new ATOM 0 HB3 LYS A 30 -9.053 9.515 -31.183 1.00 14.23 H new ATOM 0 HG2 LYS A 30 -9.287 7.980 -32.857 1.00 11.02 H new ATOM 0 HG3 LYS A 30 -10.321 7.121 -31.733 1.00 11.02 H new ATOM 0 HD2 LYS A 30 -11.967 7.326 -33.288 1.00 40.24 H new ATOM 0 HD3 LYS A 30 -12.064 9.012 -32.819 1.00 40.24 H new ATOM 0 HE2 LYS A 30 -10.932 9.755 -34.701 1.00 61.55 H new ATOM 0 HE3 LYS A 30 -9.895 8.344 -34.771 1.00 61.55 H new ATOM 0 HZ1 LYS A 30 -11.463 8.370 -36.597 1.00 74.54 H new ATOM 0 HZ2 LYS A 30 -11.769 7.041 -35.585 1.00 74.54 H new ATOM 0 HZ3 LYS A 30 -12.774 8.408 -35.517 1.00 74.54 H new ATOM 455 N SER A 31 -12.191 6.985 -29.658 1.00 44.34 N ATOM 456 CA SER A 31 -13.479 6.315 -29.672 1.00 75.53 C ATOM 457 C SER A 31 -14.047 6.241 -28.253 1.00 43.42 C ATOM 458 O SER A 31 -15.215 5.905 -28.064 1.00 65.31 O ATOM 459 CB SER A 31 -13.364 4.911 -30.270 1.00 45.25 C ATOM 460 OG SER A 31 -14.338 4.681 -31.285 1.00 22.03 O ATOM 0 H SER A 31 -11.406 6.394 -29.383 1.00 44.34 H new ATOM 0 HA SER A 31 -14.157 6.894 -30.299 1.00 75.53 H new ATOM 0 HB2 SER A 31 -12.366 4.776 -30.688 1.00 45.25 H new ATOM 0 HB3 SER A 31 -13.482 4.170 -29.480 1.00 45.25 H new ATOM 0 HG SER A 31 -14.230 3.775 -31.642 1.00 22.03 H new ATOM 466 N ILE A 32 -13.193 6.562 -27.292 1.00 12.41 N ATOM 467 CA ILE A 32 -13.595 6.537 -25.896 1.00 4.44 C ATOM 468 C ILE A 32 -13.900 7.963 -25.432 1.00 32.13 C ATOM 469 O ILE A 32 -14.870 8.190 -24.710 1.00 2.24 O ATOM 470 CB ILE A 32 -12.538 5.828 -25.047 1.00 23.30 C ATOM 471 CG1 ILE A 32 -11.768 4.799 -25.878 1.00 31.35 C ATOM 472 CG2 ILE A 32 -13.165 5.203 -23.799 1.00 53.40 C ATOM 473 CD1 ILE A 32 -10.674 4.128 -25.043 1.00 55.35 C ATOM 0 H ILE A 32 -12.225 6.841 -27.453 1.00 12.41 H new ATOM 0 HA ILE A 32 -14.511 5.958 -25.774 1.00 4.44 H new ATOM 0 HB ILE A 32 -11.818 6.572 -24.707 1.00 23.30 H new ATOM 0 HG12 ILE A 32 -12.456 4.043 -26.257 1.00 31.35 H new ATOM 0 HG13 ILE A 32 -11.322 5.287 -26.745 1.00 31.35 H new ATOM 0 HG21 ILE A 32 -12.392 4.706 -23.214 1.00 53.40 H new ATOM 0 HG22 ILE A 32 -13.631 5.983 -23.197 1.00 53.40 H new ATOM 0 HG23 ILE A 32 -13.919 4.475 -24.097 1.00 53.40 H new ATOM 0 HD11 ILE A 32 -10.142 3.401 -25.657 1.00 55.35 H new ATOM 0 HD12 ILE A 32 -9.974 4.883 -24.686 1.00 55.35 H new ATOM 0 HD13 ILE A 32 -11.126 3.621 -24.191 1.00 55.35 H new ATOM 485 N ARG A 33 -13.055 8.886 -25.866 1.00 1.35 N ATOM 486 CA ARG A 33 -13.222 10.284 -25.504 1.00 34.53 C ATOM 487 C ARG A 33 -13.082 10.461 -23.990 1.00 61.45 C ATOM 488 O ARG A 33 -12.308 11.298 -23.529 1.00 55.31 O ATOM 489 CB ARG A 33 -14.590 10.807 -25.947 1.00 31.03 C ATOM 490 CG ARG A 33 -14.568 11.221 -27.419 1.00 40.05 C ATOM 491 CD ARG A 33 -15.891 10.876 -28.106 1.00 12.21 C ATOM 492 NE ARG A 33 -17.026 11.220 -27.220 1.00 43.40 N ATOM 493 CZ ARG A 33 -18.265 11.525 -27.661 1.00 2.12 C ATOM 494 NH1 ARG A 33 -18.540 11.531 -28.982 1.00 63.25 N ATOM 495 NH2 ARG A 33 -19.203 11.817 -26.780 1.00 15.50 N ATOM 0 H ARG A 33 -12.252 8.694 -26.465 1.00 1.35 H new ATOM 0 HA ARG A 33 -12.445 10.854 -26.013 1.00 34.53 H new ATOM 0 HB2 ARG A 33 -15.345 10.036 -25.794 1.00 31.03 H new ATOM 0 HB3 ARG A 33 -14.875 11.659 -25.330 1.00 31.03 H new ATOM 0 HG2 ARG A 33 -14.383 12.292 -27.496 1.00 40.05 H new ATOM 0 HG3 ARG A 33 -13.747 10.718 -27.930 1.00 40.05 H new ATOM 0 HD2 ARG A 33 -15.975 11.421 -29.046 1.00 12.21 H new ATOM 0 HD3 ARG A 33 -15.918 9.814 -28.349 1.00 12.21 H new ATOM 0 HE ARG A 33 -16.862 11.227 -26.213 1.00 43.40 H new ATOM 0 HH11 ARG A 33 -17.809 11.304 -29.656 1.00 63.25 H new ATOM 0 HH12 ARG A 33 -19.479 11.763 -29.306 1.00 63.25 H new ATOM 0 HH21 ARG A 33 -18.986 11.810 -25.783 1.00 15.50 H new ATOM 0 HH22 ARG A 33 -20.145 12.050 -27.096 1.00 15.50 H new TER 508 ARG A 33