USER MOD reduce.3.24.130724 H: found=0, std=0, add=265, rem=0, adj=8 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+ -120:sc= 0.0661 (180deg=0) USER MOD Single : A 2 ASN :FLIP amide:sc= -0.0754 F(o=-0.75,f=-0.075) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc= -9.26! C(o=-9.3!,f=-12!) USER MOD Single : A 10 LYS NZ :NH3+ 163:sc= -0.029 (180deg=-0.311) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 14 HIS :FLIP no HD1:sc= -0.721 F(o=-2.3!,f=-0.72) USER MOD Single : A 21 SER OG : rot 49:sc= 0.392 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 -2.055 3.307 -6.893 1.00 13.35 N ATOM 2 CA PHE A 1 -0.686 3.312 -6.405 1.00 75.10 C ATOM 3 C PHE A 1 -0.435 2.131 -5.466 1.00 31.35 C ATOM 4 O PHE A 1 -1.373 1.451 -5.052 1.00 53.21 O ATOM 5 CB PHE A 1 -0.492 4.616 -5.629 1.00 35.12 C ATOM 6 CG PHE A 1 -0.972 4.553 -4.177 1.00 55.33 C ATOM 7 CD1 PHE A 1 -0.200 3.956 -3.231 1.00 20.02 C ATOM 8 CD2 PHE A 1 -2.172 5.095 -3.834 1.00 3.13 C ATOM 9 CE1 PHE A 1 -0.645 3.898 -1.884 1.00 34.03 C ATOM 10 CE2 PHE A 1 -2.617 5.037 -2.487 1.00 11.03 C ATOM 11 CZ PHE A 1 -1.845 4.440 -1.540 1.00 64.21 C ATOM 0 H1 PHE A 1 -2.053 3.236 -7.931 1.00 13.35 H new ATOM 0 H2 PHE A 1 -2.564 2.494 -6.491 1.00 13.35 H new ATOM 0 H3 PHE A 1 -2.529 4.188 -6.607 1.00 13.35 H new ATOM 0 HA PHE A 1 0.008 3.230 -7.242 1.00 75.10 H new ATOM 0 HB2 PHE A 1 0.566 4.880 -5.640 1.00 35.12 H new ATOM 0 HB3 PHE A 1 -1.025 5.416 -6.143 1.00 35.12 H new ATOM 0 HD1 PHE A 1 0.752 3.526 -3.504 1.00 20.02 H new ATOM 0 HD2 PHE A 1 -2.786 5.569 -4.586 1.00 3.13 H new ATOM 0 HE1 PHE A 1 -0.031 3.424 -1.132 1.00 34.03 H new ATOM 0 HE2 PHE A 1 -3.569 5.467 -2.214 1.00 11.03 H new ATOM 0 HZ PHE A 1 -2.184 4.396 -0.516 1.00 64.21 H new ATOM 21 N ASN A 2 0.836 1.922 -5.156 1.00 2.21 N ATOM 22 CA ASN A 2 1.223 0.835 -4.273 1.00 32.11 C ATOM 23 C ASN A 2 2.723 0.925 -3.987 1.00 62.43 C ATOM 24 O ASN A 2 3.156 0.724 -2.854 1.00 21.34 O ATOM 25 CB ASN A 2 0.945 -0.524 -4.918 1.00 72.02 C ATOM 26 CG ASN A 2 1.979 -1.562 -4.478 1.00 32.14 C ATOM 27 OD1 ASN A 2 2.800 -1.953 -5.448 1.00 34.54 O flip ATOM 28 ND2 ASN A 2 2.028 -1.980 -3.333 1.00 2.02 N flip ATOM 0 H ASN A 2 1.612 2.488 -5.501 1.00 2.21 H new ATOM 0 HA ASN A 2 0.643 0.924 -3.355 1.00 32.11 H new ATOM 0 HB2 ASN A 2 -0.054 -0.863 -4.645 1.00 72.02 H new ATOM 0 HB3 ASN A 2 0.962 -0.426 -6.003 1.00 72.02 H new ATOM 0 HD21 ASN A 2 1.367 -1.637 -2.636 1.00 2.02 H new ATOM 0 HD22 ASN A 2 2.730 -2.672 -3.072 1.00 2.02 H new ATOM 35 N ARG A 3 3.476 1.227 -5.035 1.00 74.43 N ATOM 36 CA ARG A 3 4.918 1.345 -4.911 1.00 45.34 C ATOM 37 C ARG A 3 5.288 2.689 -4.281 1.00 2.43 C ATOM 38 O ARG A 3 6.430 2.894 -3.872 1.00 43.13 O ATOM 39 CB ARG A 3 5.600 1.225 -6.276 1.00 1.22 C ATOM 40 CG ARG A 3 4.747 0.404 -7.245 1.00 12.23 C ATOM 41 CD ARG A 3 4.039 1.310 -8.254 1.00 74.23 C ATOM 42 NE ARG A 3 3.502 2.508 -7.570 1.00 70.54 N ATOM 43 CZ ARG A 3 2.416 3.193 -7.986 1.00 13.13 C ATOM 44 NH1 ARG A 3 1.740 2.804 -9.088 1.00 0.12 N ATOM 45 NH2 ARG A 3 2.024 4.250 -7.298 1.00 21.40 N ATOM 0 H ARG A 3 3.114 1.393 -5.974 1.00 74.43 H new ATOM 0 HA ARG A 3 5.263 0.532 -4.272 1.00 45.34 H new ATOM 0 HB2 ARG A 3 5.772 2.219 -6.689 1.00 1.22 H new ATOM 0 HB3 ARG A 3 6.577 0.756 -6.158 1.00 1.22 H new ATOM 0 HG2 ARG A 3 5.377 -0.312 -7.773 1.00 12.23 H new ATOM 0 HG3 ARG A 3 4.009 -0.172 -6.687 1.00 12.23 H new ATOM 0 HD2 ARG A 3 4.735 1.610 -9.037 1.00 74.23 H new ATOM 0 HD3 ARG A 3 3.229 0.765 -8.739 1.00 74.23 H new ATOM 0 HE ARG A 3 3.983 2.836 -6.732 1.00 70.54 H new ATOM 0 HH11 ARG A 3 2.049 1.986 -9.614 1.00 0.12 H new ATOM 0 HH12 ARG A 3 0.920 3.328 -9.395 1.00 0.12 H new ATOM 0 HH21 ARG A 3 2.540 4.537 -6.466 1.00 21.40 H new ATOM 0 HH22 ARG A 3 1.205 4.779 -7.598 1.00 21.40 H new ATOM 58 N GLY A 4 4.301 3.571 -4.221 1.00 74.50 N ATOM 59 CA GLY A 4 4.508 4.889 -3.647 1.00 51.20 C ATOM 60 C GLY A 4 4.772 5.927 -4.739 1.00 45.34 C ATOM 61 O GLY A 4 4.605 7.125 -4.516 1.00 52.20 O ATOM 0 H GLY A 4 3.355 3.398 -4.561 1.00 74.50 H new ATOM 0 HA2 GLY A 4 3.631 5.179 -3.069 1.00 51.20 H new ATOM 0 HA3 GLY A 4 5.351 4.860 -2.956 1.00 51.20 H new ATOM 65 N GLY A 5 5.182 5.430 -5.897 1.00 75.13 N ATOM 66 CA GLY A 5 5.471 6.299 -7.025 1.00 11.41 C ATOM 67 C GLY A 5 6.977 6.521 -7.174 1.00 65.32 C ATOM 68 O GLY A 5 7.414 7.281 -8.037 1.00 4.23 O ATOM 0 H GLY A 5 5.321 4.436 -6.078 1.00 75.13 H new ATOM 0 HA2 GLY A 5 5.072 5.859 -7.939 1.00 11.41 H new ATOM 0 HA3 GLY A 5 4.970 7.257 -6.888 1.00 11.41 H new ATOM 72 N TYR A 6 7.730 5.842 -6.321 1.00 3.42 N ATOM 73 CA TYR A 6 9.179 5.955 -6.347 1.00 12.31 C ATOM 74 C TYR A 6 9.782 5.030 -7.406 1.00 52.41 C ATOM 75 O TYR A 6 11.001 4.958 -7.551 1.00 2.42 O ATOM 76 CB TYR A 6 9.661 5.511 -4.965 1.00 23.03 C ATOM 77 CG TYR A 6 9.859 4.000 -4.831 1.00 20.23 C ATOM 78 CD1 TYR A 6 9.006 3.132 -5.482 1.00 64.22 C ATOM 79 CD2 TYR A 6 10.890 3.505 -4.058 1.00 71.53 C ATOM 80 CE1 TYR A 6 9.192 1.709 -5.356 1.00 44.51 C ATOM 81 CE2 TYR A 6 11.076 2.082 -3.932 1.00 51.22 C ATOM 82 CZ TYR A 6 10.218 1.255 -4.587 1.00 61.24 C ATOM 83 OH TYR A 6 10.394 -0.088 -4.468 1.00 72.53 O ATOM 0 H TYR A 6 7.364 5.212 -5.607 1.00 3.42 H new ATOM 0 HA TYR A 6 9.480 6.975 -6.587 1.00 12.31 H new ATOM 0 HB2 TYR A 6 10.603 6.012 -4.742 1.00 23.03 H new ATOM 0 HB3 TYR A 6 8.940 5.840 -4.217 1.00 23.03 H new ATOM 0 HD1 TYR A 6 8.199 3.520 -6.086 1.00 64.22 H new ATOM 0 HD2 TYR A 6 11.557 4.184 -3.548 1.00 71.53 H new ATOM 0 HE1 TYR A 6 8.532 1.019 -5.860 1.00 44.51 H new ATOM 0 HE2 TYR A 6 11.879 1.681 -3.331 1.00 51.22 H new ATOM 0 HH TYR A 6 11.165 -0.267 -3.890 1.00 72.53 H new ATOM 93 N ASN A 7 8.900 4.346 -8.119 1.00 72.14 N ATOM 94 CA ASN A 7 9.330 3.429 -9.161 1.00 71.50 C ATOM 95 C ASN A 7 10.140 4.196 -10.208 1.00 33.01 C ATOM 96 O ASN A 7 9.959 5.401 -10.376 1.00 44.04 O ATOM 97 CB ASN A 7 8.130 2.793 -9.865 1.00 35.41 C ATOM 98 CG ASN A 7 7.574 1.621 -9.052 1.00 4.42 C ATOM 99 OD1 ASN A 7 7.734 1.539 -7.845 1.00 64.41 O ATOM 100 ND2 ASN A 7 6.915 0.723 -9.778 1.00 12.41 N ATOM 0 H ASN A 7 7.889 4.408 -7.996 1.00 72.14 H new ATOM 0 HA ASN A 7 9.931 2.648 -8.695 1.00 71.50 H new ATOM 0 HB2 ASN A 7 7.351 3.541 -10.010 1.00 35.41 H new ATOM 0 HB3 ASN A 7 8.427 2.445 -10.855 1.00 35.41 H new ATOM 0 HD21 ASN A 7 6.506 -0.096 -9.328 1.00 12.41 H new ATOM 0 HD22 ASN A 7 6.818 0.853 -10.785 1.00 12.41 H new ATOM 107 N PHE A 8 11.015 3.466 -10.884 1.00 52.31 N ATOM 108 CA PHE A 8 11.853 4.063 -11.910 1.00 50.30 C ATOM 109 C PHE A 8 12.578 2.987 -12.721 1.00 13.11 C ATOM 110 O PHE A 8 13.686 3.211 -13.205 1.00 60.22 O ATOM 111 CB PHE A 8 12.890 4.929 -11.192 1.00 41.22 C ATOM 112 CG PHE A 8 13.351 4.363 -9.848 1.00 35.54 C ATOM 113 CD1 PHE A 8 13.802 3.082 -9.768 1.00 13.11 C ATOM 114 CD2 PHE A 8 13.309 5.139 -8.732 1.00 55.40 C ATOM 115 CE1 PHE A 8 14.229 2.556 -8.520 1.00 41.20 C ATOM 116 CE2 PHE A 8 13.736 4.614 -7.484 1.00 72.52 C ATOM 117 CZ PHE A 8 14.187 3.333 -7.404 1.00 41.15 C ATOM 0 H PHE A 8 11.162 2.467 -10.741 1.00 52.31 H new ATOM 0 HA PHE A 8 11.241 4.647 -12.597 1.00 50.30 H new ATOM 0 HB2 PHE A 8 13.758 5.051 -11.840 1.00 41.22 H new ATOM 0 HB3 PHE A 8 12.470 5.922 -11.032 1.00 41.22 H new ATOM 0 HD1 PHE A 8 13.835 2.465 -10.654 1.00 13.11 H new ATOM 0 HD2 PHE A 8 12.950 6.156 -8.795 1.00 55.40 H new ATOM 0 HE1 PHE A 8 14.587 1.539 -8.457 1.00 41.20 H new ATOM 0 HE2 PHE A 8 13.703 5.231 -6.598 1.00 72.52 H new ATOM 0 HZ PHE A 8 14.512 2.933 -6.455 1.00 41.15 H new ATOM 127 N GLY A 9 11.922 1.842 -12.844 1.00 3.23 N ATOM 128 CA GLY A 9 12.490 0.731 -13.588 1.00 23.35 C ATOM 129 C GLY A 9 11.408 -0.276 -13.981 1.00 35.44 C ATOM 130 O GLY A 9 11.292 -0.645 -15.148 1.00 65.33 O ATOM 0 H GLY A 9 11.003 1.660 -12.441 1.00 3.23 H new ATOM 0 HA2 GLY A 9 12.987 1.105 -14.484 1.00 23.35 H new ATOM 0 HA3 GLY A 9 13.251 0.236 -12.985 1.00 23.35 H new ATOM 134 N LYS A 10 10.641 -0.692 -12.983 1.00 62.41 N ATOM 135 CA LYS A 10 9.572 -1.650 -13.210 1.00 12.41 C ATOM 136 C LYS A 10 8.500 -1.010 -14.095 1.00 31.02 C ATOM 137 O LYS A 10 8.156 -1.547 -15.147 1.00 25.24 O ATOM 138 CB LYS A 10 9.035 -2.179 -11.878 1.00 52.45 C ATOM 139 CG LYS A 10 10.140 -2.225 -10.821 1.00 60.44 C ATOM 140 CD LYS A 10 9.968 -1.101 -9.799 1.00 4.45 C ATOM 141 CE LYS A 10 8.728 -1.331 -8.933 1.00 71.11 C ATOM 142 NZ LYS A 10 8.915 -2.514 -8.064 1.00 30.32 N ATOM 0 H LYS A 10 10.739 -0.383 -12.016 1.00 62.41 H new ATOM 0 HA LYS A 10 9.948 -2.522 -13.744 1.00 12.41 H new ATOM 0 HB2 LYS A 10 8.221 -1.542 -11.531 1.00 52.45 H new ATOM 0 HB3 LYS A 10 8.620 -3.177 -12.020 1.00 52.45 H new ATOM 0 HG2 LYS A 10 10.122 -3.189 -10.313 1.00 60.44 H new ATOM 0 HG3 LYS A 10 11.113 -2.137 -11.303 1.00 60.44 H new ATOM 0 HD2 LYS A 10 10.853 -1.043 -9.165 1.00 4.45 H new ATOM 0 HD3 LYS A 10 9.883 -0.145 -10.316 1.00 4.45 H new ATOM 0 HE2 LYS A 10 8.536 -0.450 -8.321 1.00 71.11 H new ATOM 0 HE3 LYS A 10 7.854 -1.474 -9.569 1.00 71.11 H new ATOM 0 HZ1 LYS A 10 8.215 -2.494 -7.295 1.00 30.32 H new ATOM 0 HZ2 LYS A 10 8.789 -3.380 -8.625 1.00 30.32 H new ATOM 0 HZ3 LYS A 10 9.873 -2.500 -7.660 1.00 30.32 H new ATOM 155 N SER A 11 8.001 0.128 -13.636 1.00 2.42 N ATOM 156 CA SER A 11 6.975 0.847 -14.373 1.00 23.05 C ATOM 157 C SER A 11 7.449 1.115 -15.803 1.00 33.24 C ATOM 158 O SER A 11 6.645 1.131 -16.734 1.00 11.04 O ATOM 159 CB SER A 11 6.617 2.162 -13.677 1.00 71.21 C ATOM 160 OG SER A 11 5.213 2.288 -13.465 1.00 43.32 O ATOM 0 H SER A 11 8.288 0.570 -12.763 1.00 2.42 H new ATOM 0 HA SER A 11 6.078 0.228 -14.404 1.00 23.05 H new ATOM 0 HB2 SER A 11 7.135 2.218 -12.720 1.00 71.21 H new ATOM 0 HB3 SER A 11 6.969 2.999 -14.280 1.00 71.21 H new ATOM 0 HG SER A 11 5.025 3.139 -13.017 1.00 43.32 H new ATOM 166 N VAL A 12 8.751 1.318 -15.932 1.00 44.13 N ATOM 167 CA VAL A 12 9.342 1.584 -17.233 1.00 55.32 C ATOM 168 C VAL A 12 9.093 0.389 -18.155 1.00 63.13 C ATOM 169 O VAL A 12 8.909 0.557 -19.360 1.00 13.24 O ATOM 170 CB VAL A 12 10.826 1.920 -17.076 1.00 30.23 C ATOM 171 CG1 VAL A 12 11.588 1.658 -18.376 1.00 41.33 C ATOM 172 CG2 VAL A 12 11.015 3.365 -16.610 1.00 61.03 C ATOM 0 H VAL A 12 9.414 1.304 -15.157 1.00 44.13 H new ATOM 0 HA VAL A 12 8.874 2.454 -17.694 1.00 55.32 H new ATOM 0 HB VAL A 12 11.238 1.265 -16.309 1.00 30.23 H new ATOM 0 HG11 VAL A 12 12.640 1.905 -18.237 1.00 41.33 H new ATOM 0 HG12 VAL A 12 11.495 0.606 -18.647 1.00 41.33 H new ATOM 0 HG13 VAL A 12 11.172 2.276 -19.172 1.00 41.33 H new ATOM 0 HG21 VAL A 12 12.079 3.578 -16.506 1.00 61.03 H new ATOM 0 HG22 VAL A 12 10.579 4.044 -17.343 1.00 61.03 H new ATOM 0 HG23 VAL A 12 10.522 3.505 -15.648 1.00 61.03 H new ATOM 182 N ARG A 13 9.097 -0.792 -17.554 1.00 50.14 N ATOM 183 CA ARG A 13 8.874 -2.015 -18.307 1.00 25.14 C ATOM 184 C ARG A 13 7.433 -2.071 -18.815 1.00 55.30 C ATOM 185 O ARG A 13 7.172 -2.594 -19.897 1.00 71.41 O ATOM 186 CB ARG A 13 9.152 -3.249 -17.446 1.00 25.11 C ATOM 187 CG ARG A 13 10.403 -3.049 -16.588 1.00 2.43 C ATOM 188 CD ARG A 13 11.525 -2.394 -17.397 1.00 74.54 C ATOM 189 NE ARG A 13 11.629 -3.036 -18.727 1.00 43.10 N ATOM 190 CZ ARG A 13 12.760 -3.070 -19.464 1.00 31.31 C ATOM 191 NH1 ARG A 13 13.894 -2.499 -19.006 1.00 10.12 N ATOM 192 NH2 ARG A 13 12.740 -3.671 -20.639 1.00 51.22 N ATOM 0 H ARG A 13 9.251 -0.928 -16.555 1.00 50.14 H new ATOM 0 HA ARG A 13 9.561 -2.013 -19.153 1.00 25.14 H new ATOM 0 HB2 ARG A 13 8.294 -3.449 -16.804 1.00 25.11 H new ATOM 0 HB3 ARG A 13 9.281 -4.122 -18.086 1.00 25.11 H new ATOM 0 HG2 ARG A 13 10.161 -2.428 -15.726 1.00 2.43 H new ATOM 0 HG3 ARG A 13 10.742 -4.011 -16.203 1.00 2.43 H new ATOM 0 HD2 ARG A 13 11.327 -1.328 -17.513 1.00 74.54 H new ATOM 0 HD3 ARG A 13 12.471 -2.487 -16.864 1.00 74.54 H new ATOM 0 HE ARG A 13 10.795 -3.480 -19.110 1.00 43.10 H new ATOM 0 HH11 ARG A 13 13.901 -2.037 -18.097 1.00 10.12 H new ATOM 0 HH12 ARG A 13 14.744 -2.529 -19.569 1.00 10.12 H new ATOM 0 HH21 ARG A 13 11.879 -4.101 -20.978 1.00 51.22 H new ATOM 0 HH22 ARG A 13 13.585 -3.706 -21.208 1.00 51.22 H new ATOM 205 N HIS A 14 6.533 -1.523 -18.010 1.00 65.53 N ATOM 206 CA HIS A 14 5.125 -1.504 -18.365 1.00 74.32 C ATOM 207 C HIS A 14 4.877 -0.430 -19.426 1.00 63.13 C ATOM 208 O HIS A 14 4.150 -0.661 -20.391 1.00 14.12 O ATOM 209 CB HIS A 14 4.253 -1.320 -17.121 1.00 64.30 C ATOM 210 CG HIS A 14 2.980 -0.548 -17.371 1.00 43.35 C ATOM 211 ND1 HIS A 14 2.784 0.738 -17.784 1.00 34.23 N flip ATOM 212 CD2 HIS A 14 1.723 -1.098 -17.197 1.00 23.42 C flip ATOM 213 CE1 HIS A 14 1.478 0.960 -17.858 1.00 71.13 C flip ATOM 214 NE2 HIS A 14 0.818 -0.177 -17.494 1.00 72.34 N flip ATOM 0 H HIS A 14 6.753 -1.089 -17.113 1.00 65.53 H new ATOM 0 HA HIS A 14 4.843 -2.464 -18.797 1.00 74.32 H new ATOM 0 HB2 HIS A 14 3.998 -2.301 -16.721 1.00 64.30 H new ATOM 0 HB3 HIS A 14 4.834 -0.805 -16.356 1.00 64.30 H new ATOM 0 HD2 HIS A 14 1.514 -2.107 -16.874 1.00 23.42 H new ATOM 0 HE1 HIS A 14 1.014 1.888 -18.157 1.00 71.13 H new ATOM 0 HE2 HIS A 14 -0.194 -0.297 -17.457 1.00 72.34 H new ATOM 222 N VAL A 15 5.497 0.721 -19.212 1.00 40.23 N ATOM 223 CA VAL A 15 5.353 1.832 -20.138 1.00 65.22 C ATOM 224 C VAL A 15 6.035 1.478 -21.462 1.00 10.24 C ATOM 225 O VAL A 15 5.567 1.872 -22.529 1.00 65.52 O ATOM 226 CB VAL A 15 5.902 3.113 -19.507 1.00 54.42 C ATOM 227 CG1 VAL A 15 7.363 3.337 -19.902 1.00 12.15 C ATOM 228 CG2 VAL A 15 5.041 4.321 -19.883 1.00 51.23 C ATOM 0 H VAL A 15 6.100 0.909 -18.411 1.00 40.23 H new ATOM 0 HA VAL A 15 4.300 2.016 -20.353 1.00 65.22 H new ATOM 0 HB VAL A 15 5.862 2.997 -18.424 1.00 54.42 H new ATOM 0 HG11 VAL A 15 7.728 4.254 -19.440 1.00 12.15 H new ATOM 0 HG12 VAL A 15 7.965 2.495 -19.562 1.00 12.15 H new ATOM 0 HG13 VAL A 15 7.438 3.422 -20.986 1.00 12.15 H new ATOM 0 HG21 VAL A 15 5.453 5.219 -19.422 1.00 51.23 H new ATOM 0 HG22 VAL A 15 5.034 4.440 -20.966 1.00 51.23 H new ATOM 0 HG23 VAL A 15 4.022 4.166 -19.529 1.00 51.23 H new ATOM 238 N VAL A 16 7.129 0.740 -21.348 1.00 61.32 N ATOM 239 CA VAL A 16 7.880 0.329 -22.522 1.00 73.35 C ATOM 240 C VAL A 16 6.939 -0.373 -23.504 1.00 31.53 C ATOM 241 O VAL A 16 6.986 -0.117 -24.706 1.00 30.12 O ATOM 242 CB VAL A 16 9.067 -0.542 -22.106 1.00 43.43 C ATOM 243 CG1 VAL A 16 9.511 -1.449 -23.255 1.00 44.13 C ATOM 244 CG2 VAL A 16 10.229 0.319 -21.607 1.00 3.33 C ATOM 0 H VAL A 16 7.514 0.416 -20.461 1.00 61.32 H new ATOM 0 HA VAL A 16 8.295 1.198 -23.033 1.00 73.35 H new ATOM 0 HB VAL A 16 8.743 -1.179 -21.283 1.00 43.43 H new ATOM 0 HG11 VAL A 16 10.356 -2.057 -22.933 1.00 44.13 H new ATOM 0 HG12 VAL A 16 8.686 -2.099 -23.545 1.00 44.13 H new ATOM 0 HG13 VAL A 16 9.808 -0.838 -24.107 1.00 44.13 H new ATOM 0 HG21 VAL A 16 11.060 -0.324 -21.317 1.00 3.33 H new ATOM 0 HG22 VAL A 16 10.551 0.992 -22.402 1.00 3.33 H new ATOM 0 HG23 VAL A 16 9.905 0.903 -20.746 1.00 3.33 H new ATOM 254 N ASP A 17 6.106 -1.246 -22.954 1.00 43.55 N ATOM 255 CA ASP A 17 5.156 -1.987 -23.766 1.00 51.43 C ATOM 256 C ASP A 17 4.065 -1.035 -24.263 1.00 22.43 C ATOM 257 O ASP A 17 3.444 -1.282 -25.295 1.00 61.33 O ATOM 258 CB ASP A 17 4.483 -3.094 -22.953 1.00 62.34 C ATOM 259 CG ASP A 17 4.446 -4.464 -23.634 1.00 74.10 C ATOM 260 OD1 ASP A 17 4.122 -5.482 -23.004 1.00 3.23 O ATOM 261 OD2 ASP A 17 4.771 -4.462 -24.882 1.00 54.44 O ATOM 0 H ASP A 17 6.070 -1.456 -21.957 1.00 43.55 H new ATOM 0 HA ASP A 17 5.699 -2.431 -24.600 1.00 51.43 H new ATOM 0 HB2 ASP A 17 5.003 -3.192 -22.000 1.00 62.34 H new ATOM 0 HB3 ASP A 17 3.461 -2.789 -22.728 1.00 62.34 H new ATOM 267 N ALA A 18 3.865 0.032 -23.504 1.00 4.12 N ATOM 268 CA ALA A 18 2.860 1.022 -23.854 1.00 24.54 C ATOM 269 C ALA A 18 3.220 1.654 -25.200 1.00 22.24 C ATOM 270 O ALA A 18 2.345 2.139 -25.915 1.00 43.12 O ATOM 271 CB ALA A 18 2.752 2.058 -22.733 1.00 61.31 C ATOM 0 H ALA A 18 4.382 0.233 -22.648 1.00 4.12 H new ATOM 0 HA ALA A 18 1.881 0.554 -23.961 1.00 24.54 H new ATOM 0 HB1 ALA A 18 1.998 2.801 -22.995 1.00 61.31 H new ATOM 0 HB2 ALA A 18 2.465 1.562 -21.806 1.00 61.31 H new ATOM 0 HB3 ALA A 18 3.715 2.550 -22.599 1.00 61.31 H new ATOM 277 N ILE A 19 4.509 1.628 -25.504 1.00 24.43 N ATOM 278 CA ILE A 19 4.996 2.192 -26.751 1.00 52.21 C ATOM 279 C ILE A 19 4.353 1.452 -27.926 1.00 11.12 C ATOM 280 O ILE A 19 4.166 2.026 -28.998 1.00 35.53 O ATOM 281 CB ILE A 19 6.525 2.184 -26.782 1.00 44.44 C ATOM 282 CG1 ILE A 19 7.103 2.841 -25.527 1.00 32.34 C ATOM 283 CG2 ILE A 19 7.051 2.836 -28.063 1.00 51.20 C ATOM 284 CD1 ILE A 19 6.293 4.077 -25.132 1.00 52.44 C ATOM 0 H ILE A 19 5.232 1.225 -24.908 1.00 24.43 H new ATOM 0 HA ILE A 19 4.704 3.239 -26.835 1.00 52.21 H new ATOM 0 HB ILE A 19 6.860 1.147 -26.786 1.00 44.44 H new ATOM 0 HG12 ILE A 19 7.104 2.125 -24.705 1.00 32.34 H new ATOM 0 HG13 ILE A 19 8.141 3.124 -25.705 1.00 32.34 H new ATOM 0 HG21 ILE A 19 8.141 2.817 -28.060 1.00 51.20 H new ATOM 0 HG22 ILE A 19 6.681 2.287 -28.929 1.00 51.20 H new ATOM 0 HG23 ILE A 19 6.706 3.869 -28.114 1.00 51.20 H new ATOM 0 HD11 ILE A 19 6.725 4.525 -24.237 1.00 52.44 H new ATOM 0 HD12 ILE A 19 6.314 4.801 -25.946 1.00 52.44 H new ATOM 0 HD13 ILE A 19 5.262 3.787 -24.931 1.00 52.44 H new ATOM 296 N GLY A 20 4.033 0.189 -27.684 1.00 54.42 N ATOM 297 CA GLY A 20 3.415 -0.635 -28.709 1.00 33.23 C ATOM 298 C GLY A 20 1.931 -0.859 -28.411 1.00 33.41 C ATOM 299 O GLY A 20 1.161 -1.211 -29.304 1.00 11.44 O ATOM 0 H GLY A 20 4.190 -0.283 -26.794 1.00 54.42 H new ATOM 0 HA2 GLY A 20 3.526 -0.156 -29.682 1.00 33.23 H new ATOM 0 HA3 GLY A 20 3.927 -1.595 -28.766 1.00 33.23 H new ATOM 303 N SER A 21 1.574 -0.647 -27.153 1.00 31.23 N ATOM 304 CA SER A 21 0.196 -0.822 -26.726 1.00 11.30 C ATOM 305 C SER A 21 -0.564 0.500 -26.856 1.00 5.21 C ATOM 306 O SER A 21 -1.789 0.529 -26.753 1.00 1.02 O ATOM 307 CB SER A 21 0.126 -1.335 -25.286 1.00 51.24 C ATOM 308 OG SER A 21 1.216 -2.198 -24.974 1.00 33.32 O ATOM 0 H SER A 21 2.215 -0.356 -26.415 1.00 31.23 H new ATOM 0 HA SER A 21 -0.270 -1.567 -27.371 1.00 11.30 H new ATOM 0 HB2 SER A 21 0.125 -0.489 -24.599 1.00 51.24 H new ATOM 0 HB3 SER A 21 -0.813 -1.868 -25.136 1.00 51.24 H new ATOM 0 HG SER A 21 2.057 -1.774 -25.245 1.00 33.32 H new ATOM 314 N VAL A 22 0.196 1.562 -27.080 1.00 51.42 N ATOM 315 CA VAL A 22 -0.390 2.884 -27.225 1.00 50.23 C ATOM 316 C VAL A 22 -1.404 2.865 -28.371 1.00 21.10 C ATOM 317 O VAL A 22 -2.441 3.522 -28.298 1.00 32.22 O ATOM 318 CB VAL A 22 0.713 3.927 -27.420 1.00 74.12 C ATOM 319 CG1 VAL A 22 1.764 3.433 -28.416 1.00 1.31 C ATOM 320 CG2 VAL A 22 0.126 5.269 -27.862 1.00 50.03 C ATOM 0 H VAL A 22 1.212 1.534 -27.165 1.00 51.42 H new ATOM 0 HA VAL A 22 -0.928 3.165 -26.319 1.00 50.23 H new ATOM 0 HB VAL A 22 1.206 4.077 -26.460 1.00 74.12 H new ATOM 0 HG11 VAL A 22 2.536 4.193 -28.537 1.00 1.31 H new ATOM 0 HG12 VAL A 22 2.215 2.513 -28.043 1.00 1.31 H new ATOM 0 HG13 VAL A 22 1.291 3.241 -29.379 1.00 1.31 H new ATOM 0 HG21 VAL A 22 0.931 5.992 -27.993 1.00 50.03 H new ATOM 0 HG22 VAL A 22 -0.405 5.141 -28.805 1.00 50.03 H new ATOM 0 HG23 VAL A 22 -0.567 5.631 -27.102 1.00 50.03 H new ATOM 330 N ALA A 23 -1.068 2.105 -29.403 1.00 34.42 N ATOM 331 CA ALA A 23 -1.937 1.991 -30.562 1.00 44.15 C ATOM 332 C ALA A 23 -3.169 1.164 -30.192 1.00 54.11 C ATOM 333 O ALA A 23 -4.173 1.187 -30.903 1.00 30.11 O ATOM 334 CB ALA A 23 -1.155 1.382 -31.728 1.00 44.21 C ATOM 0 H ALA A 23 -0.206 1.562 -29.461 1.00 34.42 H new ATOM 0 HA ALA A 23 -2.284 2.974 -30.879 1.00 44.15 H new ATOM 0 HB1 ALA A 23 -1.806 1.296 -32.598 1.00 44.21 H new ATOM 0 HB2 ALA A 23 -0.307 2.022 -31.971 1.00 44.21 H new ATOM 0 HB3 ALA A 23 -0.794 0.393 -31.447 1.00 44.21 H new ATOM 340 N GLY A 24 -3.053 0.453 -29.080 1.00 53.22 N ATOM 341 CA GLY A 24 -4.146 -0.380 -28.607 1.00 0.42 C ATOM 342 C GLY A 24 -4.671 0.118 -27.259 1.00 2.53 C ATOM 343 O GLY A 24 -5.363 -0.611 -26.550 1.00 54.44 O ATOM 0 H GLY A 24 -2.219 0.436 -28.493 1.00 53.22 H new ATOM 0 HA2 GLY A 24 -4.953 -0.377 -29.339 1.00 0.42 H new ATOM 0 HA3 GLY A 24 -3.807 -1.411 -28.511 1.00 0.42 H new ATOM 347 N ILE A 25 -4.321 1.357 -26.945 1.00 3.14 N ATOM 348 CA ILE A 25 -4.748 1.961 -25.694 1.00 2.20 C ATOM 349 C ILE A 25 -5.025 3.449 -25.920 1.00 32.23 C ATOM 350 O ILE A 25 -6.126 3.926 -25.650 1.00 52.55 O ATOM 351 CB ILE A 25 -3.725 1.687 -24.590 1.00 20.13 C ATOM 352 CG1 ILE A 25 -3.901 0.279 -24.016 1.00 55.51 C ATOM 353 CG2 ILE A 25 -3.791 2.761 -23.502 1.00 44.44 C ATOM 354 CD1 ILE A 25 -2.670 -0.585 -24.295 1.00 52.23 C ATOM 0 H ILE A 25 -3.747 1.959 -27.535 1.00 3.14 H new ATOM 0 HA ILE A 25 -5.680 1.511 -25.352 1.00 2.20 H new ATOM 0 HB ILE A 25 -2.728 1.734 -25.029 1.00 20.13 H new ATOM 0 HG12 ILE A 25 -4.071 0.339 -22.941 1.00 55.51 H new ATOM 0 HG13 ILE A 25 -4.784 -0.188 -24.453 1.00 55.51 H new ATOM 0 HG21 ILE A 25 -3.054 2.542 -22.730 1.00 44.44 H new ATOM 0 HG22 ILE A 25 -3.579 3.736 -23.940 1.00 44.44 H new ATOM 0 HG23 ILE A 25 -4.787 2.771 -23.060 1.00 44.44 H new ATOM 0 HD11 ILE A 25 -2.821 -1.580 -23.877 1.00 52.23 H new ATOM 0 HD12 ILE A 25 -2.517 -0.663 -25.371 1.00 52.23 H new ATOM 0 HD13 ILE A 25 -1.793 -0.128 -23.836 1.00 52.23 H new ATOM 366 N ARG A 26 -4.007 4.140 -26.412 1.00 34.33 N ATOM 367 CA ARG A 26 -4.128 5.563 -26.677 1.00 3.43 C ATOM 368 C ARG A 26 -5.049 5.804 -27.874 1.00 43.35 C ATOM 369 O ARG A 26 -5.829 6.755 -27.881 1.00 4.52 O ATOM 370 CB ARG A 26 -2.760 6.188 -26.960 1.00 12.32 C ATOM 371 CG ARG A 26 -2.899 7.666 -27.330 1.00 41.42 C ATOM 372 CD ARG A 26 -2.896 7.854 -28.849 1.00 21.33 C ATOM 373 NE ARG A 26 -3.359 9.217 -29.191 1.00 44.14 N ATOM 374 CZ ARG A 26 -3.626 9.632 -30.448 1.00 1.11 C ATOM 375 NH1 ARG A 26 -3.478 8.791 -31.493 1.00 72.14 N ATOM 376 NH2 ARG A 26 -4.034 10.873 -30.639 1.00 24.01 N ATOM 0 H ARG A 26 -3.095 3.741 -26.634 1.00 34.33 H new ATOM 0 HA ARG A 26 -4.552 6.031 -25.789 1.00 3.43 H new ATOM 0 HB2 ARG A 26 -2.122 6.088 -26.082 1.00 12.32 H new ATOM 0 HB3 ARG A 26 -2.272 5.650 -27.773 1.00 12.32 H new ATOM 0 HG2 ARG A 26 -3.824 8.064 -26.913 1.00 41.42 H new ATOM 0 HG3 ARG A 26 -2.080 8.234 -26.888 1.00 41.42 H new ATOM 0 HD2 ARG A 26 -1.892 7.693 -29.242 1.00 21.33 H new ATOM 0 HD3 ARG A 26 -3.544 7.113 -29.317 1.00 21.33 H new ATOM 0 HE ARG A 26 -3.484 9.885 -28.430 1.00 44.14 H new ATOM 0 HH11 ARG A 26 -3.162 7.834 -31.337 1.00 72.14 H new ATOM 0 HH12 ARG A 26 -3.682 9.113 -32.439 1.00 72.14 H new ATOM 0 HH21 ARG A 26 -4.143 11.502 -29.844 1.00 24.01 H new ATOM 0 HH22 ARG A 26 -4.240 11.203 -31.582 1.00 24.01 H new ATOM 389 N GLY A 27 -4.928 4.926 -28.859 1.00 41.43 N ATOM 390 CA GLY A 27 -5.740 5.032 -30.060 1.00 21.23 C ATOM 391 C GLY A 27 -7.210 4.735 -29.755 1.00 63.23 C ATOM 392 O GLY A 27 -8.101 5.417 -30.257 1.00 54.41 O ATOM 0 H GLY A 27 -4.280 4.138 -28.850 1.00 41.43 H new ATOM 0 HA2 GLY A 27 -5.647 6.034 -30.479 1.00 21.23 H new ATOM 0 HA3 GLY A 27 -5.373 4.336 -30.814 1.00 21.23 H new ATOM 396 N ILE A 28 -7.417 3.716 -28.935 1.00 23.54 N ATOM 397 CA ILE A 28 -8.763 3.320 -28.557 1.00 60.14 C ATOM 398 C ILE A 28 -9.295 4.284 -27.495 1.00 44.32 C ATOM 399 O ILE A 28 -10.499 4.343 -27.252 1.00 41.32 O ATOM 400 CB ILE A 28 -8.789 1.853 -28.124 1.00 24.20 C ATOM 401 CG1 ILE A 28 -8.386 1.708 -26.655 1.00 34.12 C ATOM 402 CG2 ILE A 28 -7.918 0.994 -29.044 1.00 13.02 C ATOM 403 CD1 ILE A 28 -9.620 1.608 -25.756 1.00 14.42 C ATOM 0 H ILE A 28 -6.675 3.152 -28.521 1.00 23.54 H new ATOM 0 HA ILE A 28 -9.434 3.387 -29.414 1.00 60.14 H new ATOM 0 HB ILE A 28 -9.812 1.488 -28.215 1.00 24.20 H new ATOM 0 HG12 ILE A 28 -7.767 0.819 -26.530 1.00 34.12 H new ATOM 0 HG13 ILE A 28 -7.781 2.563 -26.354 1.00 34.12 H new ATOM 0 HG21 ILE A 28 -7.954 -0.044 -28.714 1.00 13.02 H new ATOM 0 HG22 ILE A 28 -8.290 1.063 -30.066 1.00 13.02 H new ATOM 0 HG23 ILE A 28 -6.889 1.351 -29.008 1.00 13.02 H new ATOM 0 HD11 ILE A 28 -9.306 1.506 -24.717 1.00 14.42 H new ATOM 0 HD12 ILE A 28 -10.224 2.509 -25.866 1.00 14.42 H new ATOM 0 HD13 ILE A 28 -10.210 0.738 -26.044 1.00 14.42 H new ATOM 415 N LEU A 29 -8.370 5.016 -26.891 1.00 13.32 N ATOM 416 CA LEU A 29 -8.731 5.975 -25.860 1.00 41.23 C ATOM 417 C LEU A 29 -9.677 7.021 -26.452 1.00 15.40 C ATOM 418 O LEU A 29 -10.537 7.553 -25.751 1.00 1.31 O ATOM 419 CB LEU A 29 -7.475 6.573 -25.222 1.00 35.23 C ATOM 420 CG LEU A 29 -7.366 6.435 -23.702 1.00 3.22 C ATOM 421 CD1 LEU A 29 -8.453 7.250 -22.998 1.00 24.54 C ATOM 422 CD2 LEU A 29 -7.389 4.964 -23.281 1.00 44.24 C ATOM 0 H LEU A 29 -7.372 4.964 -27.096 1.00 13.32 H new ATOM 0 HA LEU A 29 -9.268 5.481 -25.050 1.00 41.23 H new ATOM 0 HB2 LEU A 29 -6.602 6.101 -25.674 1.00 35.23 H new ATOM 0 HB3 LEU A 29 -7.432 7.632 -25.475 1.00 35.23 H new ATOM 0 HG LEU A 29 -6.405 6.843 -23.390 1.00 3.22 H new ATOM 0 HD11 LEU A 29 -8.353 7.134 -21.919 1.00 24.54 H new ATOM 0 HD12 LEU A 29 -8.347 8.302 -23.262 1.00 24.54 H new ATOM 0 HD13 LEU A 29 -9.435 6.895 -23.311 1.00 24.54 H new ATOM 0 HD21 LEU A 29 -7.310 4.895 -22.196 1.00 44.24 H new ATOM 0 HD22 LEU A 29 -8.323 4.507 -23.607 1.00 44.24 H new ATOM 0 HD23 LEU A 29 -6.550 4.441 -23.740 1.00 44.24 H new ATOM 434 N LYS A 30 -9.488 7.285 -27.736 1.00 42.44 N ATOM 435 CA LYS A 30 -10.314 8.259 -28.430 1.00 71.44 C ATOM 436 C LYS A 30 -11.756 7.751 -28.484 1.00 34.03 C ATOM 437 O LYS A 30 -12.670 8.500 -28.827 1.00 44.11 O ATOM 438 CB LYS A 30 -9.724 8.579 -29.805 1.00 2.50 C ATOM 439 CG LYS A 30 -9.867 7.389 -30.755 1.00 35.31 C ATOM 440 CD LYS A 30 -11.053 7.583 -31.703 1.00 2.24 C ATOM 441 CE LYS A 30 -10.576 7.959 -33.107 1.00 0.21 C ATOM 442 NZ LYS A 30 -11.470 7.376 -34.132 1.00 34.45 N ATOM 0 H LYS A 30 -8.775 6.841 -28.315 1.00 42.44 H new ATOM 0 HA LYS A 30 -10.327 9.204 -27.886 1.00 71.44 H new ATOM 0 HB2 LYS A 30 -10.228 9.448 -30.227 1.00 2.50 H new ATOM 0 HB3 LYS A 30 -8.671 8.841 -29.701 1.00 2.50 H new ATOM 0 HG2 LYS A 30 -8.951 7.269 -31.333 1.00 35.31 H new ATOM 0 HG3 LYS A 30 -10.003 6.474 -30.179 1.00 35.31 H new ATOM 0 HD2 LYS A 30 -11.641 6.666 -31.748 1.00 2.24 H new ATOM 0 HD3 LYS A 30 -11.708 8.363 -31.316 1.00 2.24 H new ATOM 0 HE2 LYS A 30 -10.553 9.044 -33.211 1.00 0.21 H new ATOM 0 HE3 LYS A 30 -9.557 7.602 -33.259 1.00 0.21 H new ATOM 0 HZ1 LYS A 30 -11.132 7.641 -35.079 1.00 34.45 H new ATOM 0 HZ2 LYS A 30 -11.472 6.340 -34.042 1.00 34.45 H new ATOM 0 HZ3 LYS A 30 -12.436 7.737 -33.996 1.00 34.45 H new ATOM 455 N SER A 31 -11.916 6.482 -28.139 1.00 34.22 N ATOM 456 CA SER A 31 -13.232 5.865 -28.143 1.00 52.31 C ATOM 457 C SER A 31 -13.803 5.840 -26.724 1.00 23.33 C ATOM 458 O SER A 31 -14.982 5.550 -26.530 1.00 32.50 O ATOM 459 CB SER A 31 -13.175 4.448 -28.718 1.00 4.44 C ATOM 460 OG SER A 31 -12.420 4.392 -29.925 1.00 53.33 O ATOM 0 H SER A 31 -11.156 5.864 -27.855 1.00 34.22 H new ATOM 0 HA SER A 31 -13.886 6.460 -28.780 1.00 52.31 H new ATOM 0 HB2 SER A 31 -12.733 3.776 -27.982 1.00 4.44 H new ATOM 0 HB3 SER A 31 -14.188 4.092 -28.907 1.00 4.44 H new ATOM 0 HG SER A 31 -12.406 3.471 -30.260 1.00 53.33 H new ATOM 466 N ILE A 32 -12.939 6.147 -25.767 1.00 42.34 N ATOM 467 CA ILE A 32 -13.342 6.163 -24.371 1.00 41.35 C ATOM 468 C ILE A 32 -13.615 7.606 -23.941 1.00 20.35 C ATOM 469 O ILE A 32 -14.570 7.869 -23.211 1.00 41.34 O ATOM 470 CB ILE A 32 -12.302 5.449 -23.505 1.00 53.14 C ATOM 471 CG1 ILE A 32 -11.578 4.362 -24.302 1.00 73.04 C ATOM 472 CG2 ILE A 32 -12.939 4.896 -22.229 1.00 1.12 C ATOM 473 CD1 ILE A 32 -12.535 3.228 -24.677 1.00 42.12 C ATOM 0 H ILE A 32 -11.961 6.387 -25.931 1.00 42.34 H new ATOM 0 HA ILE A 32 -14.270 5.608 -24.235 1.00 41.35 H new ATOM 0 HB ILE A 32 -11.551 6.178 -23.201 1.00 53.14 H new ATOM 0 HG12 ILE A 32 -11.148 4.794 -25.206 1.00 73.04 H new ATOM 0 HG13 ILE A 32 -10.751 3.965 -23.714 1.00 73.04 H new ATOM 0 HG21 ILE A 32 -12.179 4.393 -21.631 1.00 1.12 H new ATOM 0 HG22 ILE A 32 -13.371 5.715 -21.653 1.00 1.12 H new ATOM 0 HG23 ILE A 32 -13.722 4.185 -22.492 1.00 1.12 H new ATOM 0 HD11 ILE A 32 -11.995 2.469 -25.243 1.00 42.12 H new ATOM 0 HD12 ILE A 32 -12.944 2.782 -23.770 1.00 42.12 H new ATOM 0 HD13 ILE A 32 -13.348 3.624 -25.285 1.00 42.12 H new ATOM 485 N ARG A 33 -12.759 8.502 -24.410 1.00 33.14 N ATOM 486 CA ARG A 33 -12.896 9.911 -24.082 1.00 33.21 C ATOM 487 C ARG A 33 -12.663 10.133 -22.586 1.00 42.02 C ATOM 488 O ARG A 33 -12.133 9.260 -21.901 1.00 32.14 O ATOM 489 CB ARG A 33 -14.285 10.431 -24.457 1.00 34.10 C ATOM 490 CG ARG A 33 -14.264 11.115 -25.826 1.00 22.35 C ATOM 491 CD ARG A 33 -13.327 12.325 -25.819 1.00 73.31 C ATOM 492 NE ARG A 33 -12.269 12.151 -26.839 1.00 24.34 N ATOM 493 CZ ARG A 33 -11.437 13.135 -27.242 1.00 21.34 C ATOM 494 NH1 ARG A 33 -11.534 14.373 -26.714 1.00 15.43 N ATOM 495 NH2 ARG A 33 -10.527 12.868 -28.160 1.00 20.42 N ATOM 0 H ARG A 33 -11.968 8.280 -25.014 1.00 33.14 H new ATOM 0 HA ARG A 33 -12.148 10.459 -24.655 1.00 33.21 H new ATOM 0 HB2 ARG A 33 -14.995 9.604 -24.471 1.00 34.10 H new ATOM 0 HB3 ARG A 33 -14.630 11.135 -23.700 1.00 34.10 H new ATOM 0 HG2 ARG A 33 -13.941 10.404 -26.587 1.00 22.35 H new ATOM 0 HG3 ARG A 33 -15.272 11.432 -26.094 1.00 22.35 H new ATOM 0 HD2 ARG A 33 -13.893 13.235 -26.021 1.00 73.31 H new ATOM 0 HD3 ARG A 33 -12.877 12.442 -24.833 1.00 73.31 H new ATOM 0 HE ARG A 33 -12.162 11.230 -27.264 1.00 24.34 H new ATOM 0 HH11 ARG A 33 -12.240 14.571 -26.005 1.00 15.43 H new ATOM 0 HH12 ARG A 33 -10.901 15.111 -27.024 1.00 15.43 H new ATOM 0 HH21 ARG A 33 -10.460 11.930 -28.554 1.00 20.42 H new ATOM 0 HH22 ARG A 33 -9.891 13.600 -28.475 1.00 20.42 H new TER 508 ARG A 33