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+ -145:sc= 0.322 (180deg=0.0658) USER MOD Single : A 2 ASN : amide:sc= -0.278 X(o=-0.28,f=-0.22) USER MOD Single : A 6 TYR OH : rot 105:sc= -0.942! USER MOD Single : A 7 ASN : amide:sc= -5.51! C(o=-5.5!,f=-11!) USER MOD Single : A 10 LYS NZ :NH3+ -146:sc= -0.474 (180deg=-1.95!) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 14 HIS :FLIP no HD1:sc= -0.744 F(o=-2.1!,f=-0.74) USER MOD Single : A 21 SER OG : rot 59:sc= 1.29 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 8.997 -1.352 4.132 1.00 60.03 N ATOM 2 CA PHE A 1 8.845 -1.218 2.693 1.00 72.22 C ATOM 3 C PHE A 1 10.197 -1.331 1.986 1.00 71.14 C ATOM 4 O PHE A 1 11.232 -1.467 2.636 1.00 61.22 O ATOM 5 CB PHE A 1 8.261 0.172 2.432 1.00 32.32 C ATOM 6 CG PHE A 1 9.269 1.311 2.595 1.00 63.11 C ATOM 7 CD1 PHE A 1 10.021 1.711 1.534 1.00 34.40 C ATOM 8 CD2 PHE A 1 9.414 1.924 3.800 1.00 23.33 C ATOM 9 CE1 PHE A 1 10.957 2.768 1.685 1.00 35.31 C ATOM 10 CE2 PHE A 1 10.350 2.981 3.951 1.00 23.23 C ATOM 11 CZ PHE A 1 11.102 3.381 2.890 1.00 33.54 C ATOM 0 H1 PHE A 1 8.171 -1.848 4.524 1.00 60.03 H new ATOM 0 H2 PHE A 1 9.859 -1.895 4.341 1.00 60.03 H new ATOM 0 H3 PHE A 1 9.070 -0.408 4.563 1.00 60.03 H new ATOM 0 HA PHE A 1 8.199 -2.009 2.312 1.00 72.22 H new ATOM 0 HB2 PHE A 1 7.856 0.201 1.420 1.00 32.32 H new ATOM 0 HB3 PHE A 1 7.427 0.338 3.114 1.00 32.32 H new ATOM 0 HD1 PHE A 1 9.906 1.224 0.577 1.00 34.40 H new ATOM 0 HD2 PHE A 1 8.817 1.607 4.642 1.00 23.33 H new ATOM 0 HE1 PHE A 1 11.554 3.085 0.843 1.00 35.31 H new ATOM 0 HE2 PHE A 1 10.465 3.468 4.908 1.00 23.23 H new ATOM 0 HZ PHE A 1 11.814 4.185 3.005 1.00 33.54 H new ATOM 21 N ASN A 2 10.144 -1.270 0.663 1.00 32.41 N ATOM 22 CA ASN A 2 11.352 -1.364 -0.139 1.00 75.14 C ATOM 23 C ASN A 2 11.248 -0.401 -1.324 1.00 13.03 C ATOM 24 O ASN A 2 12.040 0.533 -1.440 1.00 61.44 O ATOM 25 CB ASN A 2 11.535 -2.778 -0.695 1.00 5.24 C ATOM 26 CG ASN A 2 10.863 -3.813 0.208 1.00 34.55 C ATOM 27 OD1 ASN A 2 11.458 -4.356 1.125 1.00 72.21 O ATOM 28 ND2 ASN A 2 9.592 -4.056 -0.100 1.00 60.32 N ATOM 0 H ASN A 2 9.284 -1.157 0.127 1.00 32.41 H new ATOM 0 HA ASN A 2 12.200 -1.114 0.498 1.00 75.14 H new ATOM 0 HB2 ASN A 2 11.112 -2.836 -1.698 1.00 5.24 H new ATOM 0 HB3 ASN A 2 12.598 -3.003 -0.784 1.00 5.24 H new ATOM 0 HD21 ASN A 2 9.056 -4.732 0.444 1.00 60.32 H new ATOM 0 HD22 ASN A 2 9.154 -3.567 -0.880 1.00 60.32 H new ATOM 35 N ARG A 3 10.264 -0.661 -2.172 1.00 40.12 N ATOM 36 CA ARG A 3 10.046 0.171 -3.343 1.00 43.43 C ATOM 37 C ARG A 3 9.631 1.582 -2.922 1.00 4.51 C ATOM 38 O ARG A 3 9.803 2.536 -3.680 1.00 11.03 O ATOM 39 CB ARG A 3 8.964 -0.422 -4.247 1.00 63.45 C ATOM 40 CG ARG A 3 7.575 -0.236 -3.635 1.00 13.31 C ATOM 41 CD ARG A 3 6.774 -1.539 -3.685 1.00 11.51 C ATOM 42 NE ARG A 3 6.921 -2.172 -5.014 1.00 70.22 N ATOM 43 CZ ARG A 3 6.195 -3.230 -5.433 1.00 33.43 C ATOM 44 NH1 ARG A 3 5.263 -3.783 -4.628 1.00 32.45 N ATOM 45 NH2 ARG A 3 6.409 -3.716 -6.641 1.00 65.51 N ATOM 0 H ARG A 3 9.609 -1.436 -2.071 1.00 40.12 H new ATOM 0 HA ARG A 3 10.983 0.214 -3.898 1.00 43.43 H new ATOM 0 HB2 ARG A 3 9.001 0.056 -5.226 1.00 63.45 H new ATOM 0 HB3 ARG A 3 9.157 -1.483 -4.403 1.00 63.45 H new ATOM 0 HG2 ARG A 3 7.671 0.097 -2.601 1.00 13.31 H new ATOM 0 HG3 ARG A 3 7.038 0.546 -4.173 1.00 13.31 H new ATOM 0 HD2 ARG A 3 7.122 -2.220 -2.908 1.00 11.51 H new ATOM 0 HD3 ARG A 3 5.722 -1.337 -3.484 1.00 11.51 H new ATOM 0 HE ARG A 3 7.614 -1.785 -5.654 1.00 70.22 H new ATOM 0 HH11 ARG A 3 5.103 -3.401 -3.696 1.00 32.45 H new ATOM 0 HH12 ARG A 3 4.719 -4.582 -4.952 1.00 32.45 H new ATOM 0 HH21 ARG A 3 7.115 -3.293 -7.243 1.00 65.51 H new ATOM 0 HH22 ARG A 3 5.869 -4.515 -6.972 1.00 65.51 H new ATOM 58 N GLY A 4 9.093 1.671 -1.714 1.00 63.24 N ATOM 59 CA GLY A 4 8.653 2.950 -1.183 1.00 74.53 C ATOM 60 C GLY A 4 7.195 3.225 -1.556 1.00 55.04 C ATOM 61 O GLY A 4 6.455 3.829 -0.781 1.00 42.51 O ATOM 0 H GLY A 4 8.952 0.878 -1.088 1.00 63.24 H new ATOM 0 HA2 GLY A 4 8.762 2.955 -0.098 1.00 74.53 H new ATOM 0 HA3 GLY A 4 9.288 3.747 -1.571 1.00 74.53 H new ATOM 65 N GLY A 5 6.825 2.768 -2.744 1.00 14.42 N ATOM 66 CA GLY A 5 5.468 2.958 -3.229 1.00 42.12 C ATOM 67 C GLY A 5 5.469 3.530 -4.648 1.00 55.03 C ATOM 68 O GLY A 5 4.675 3.112 -5.490 1.00 65.53 O ATOM 0 H GLY A 5 7.441 2.267 -3.384 1.00 14.42 H new ATOM 0 HA2 GLY A 5 4.937 2.006 -3.217 1.00 42.12 H new ATOM 0 HA3 GLY A 5 4.930 3.632 -2.562 1.00 42.12 H new ATOM 72 N TYR A 6 6.367 4.478 -4.870 1.00 24.13 N ATOM 73 CA TYR A 6 6.481 5.111 -6.172 1.00 45.54 C ATOM 74 C TYR A 6 7.270 4.230 -7.144 1.00 11.45 C ATOM 75 O TYR A 6 7.219 4.436 -8.355 1.00 73.02 O ATOM 76 CB TYR A 6 7.252 6.413 -5.942 1.00 65.23 C ATOM 77 CG TYR A 6 8.771 6.236 -5.894 1.00 64.13 C ATOM 78 CD1 TYR A 6 9.378 5.793 -4.737 1.00 24.14 C ATOM 79 CD2 TYR A 6 9.535 6.519 -7.009 1.00 13.34 C ATOM 80 CE1 TYR A 6 10.808 5.626 -4.691 1.00 40.45 C ATOM 81 CE2 TYR A 6 10.964 6.353 -6.963 1.00 63.15 C ATOM 82 CZ TYR A 6 11.530 5.915 -5.807 1.00 64.41 C ATOM 83 OH TYR A 6 12.881 5.757 -5.764 1.00 54.35 O ATOM 0 H TYR A 6 7.023 4.823 -4.169 1.00 24.13 H new ATOM 0 HA TYR A 6 5.495 5.280 -6.604 1.00 45.54 H new ATOM 0 HB2 TYR A 6 7.003 7.116 -6.737 1.00 65.23 H new ATOM 0 HB3 TYR A 6 6.919 6.860 -5.005 1.00 65.23 H new ATOM 0 HD1 TYR A 6 8.781 5.571 -3.865 1.00 24.14 H new ATOM 0 HD2 TYR A 6 9.060 6.865 -7.915 1.00 13.34 H new ATOM 0 HE1 TYR A 6 11.295 5.280 -3.792 1.00 40.45 H new ATOM 0 HE2 TYR A 6 11.573 6.572 -7.828 1.00 63.15 H new ATOM 0 HH TYR A 6 13.131 4.946 -6.254 1.00 54.35 H new ATOM 93 N ASN A 7 7.981 3.268 -6.575 1.00 71.21 N ATOM 94 CA ASN A 7 8.779 2.355 -7.375 1.00 60.44 C ATOM 95 C ASN A 7 9.526 3.146 -8.452 1.00 35.45 C ATOM 96 O ASN A 7 9.616 4.370 -8.377 1.00 13.04 O ATOM 97 CB ASN A 7 7.896 1.320 -8.076 1.00 52.42 C ATOM 98 CG ASN A 7 7.050 1.974 -9.171 1.00 33.41 C ATOM 99 OD1 ASN A 7 7.504 2.226 -10.275 1.00 33.02 O ATOM 100 ND2 ASN A 7 5.798 2.232 -8.805 1.00 14.42 N ATOM 0 H ASN A 7 8.021 3.101 -5.570 1.00 71.21 H new ATOM 0 HA ASN A 7 9.475 1.844 -6.709 1.00 60.44 H new ATOM 0 HB2 ASN A 7 8.520 0.539 -8.511 1.00 52.42 H new ATOM 0 HB3 ASN A 7 7.245 0.838 -7.347 1.00 52.42 H new ATOM 0 HD21 ASN A 7 5.153 2.667 -9.465 1.00 14.42 H new ATOM 0 HD22 ASN A 7 5.483 1.995 -7.864 1.00 14.42 H new ATOM 107 N PHE A 8 10.042 2.413 -9.428 1.00 13.43 N ATOM 108 CA PHE A 8 10.778 3.031 -10.518 1.00 14.23 C ATOM 109 C PHE A 8 11.380 1.972 -11.442 1.00 65.42 C ATOM 110 O PHE A 8 12.498 2.132 -11.931 1.00 12.12 O ATOM 111 CB PHE A 8 11.910 3.845 -9.888 1.00 54.42 C ATOM 112 CG PHE A 8 12.529 3.196 -8.649 1.00 72.31 C ATOM 113 CD1 PHE A 8 12.481 1.846 -8.493 1.00 71.54 C ATOM 114 CD2 PHE A 8 13.127 3.968 -7.703 1.00 42.53 C ATOM 115 CE1 PHE A 8 13.056 1.243 -7.343 1.00 73.54 C ATOM 116 CE2 PHE A 8 13.702 3.365 -6.553 1.00 52.53 C ATOM 117 CZ PHE A 8 13.654 2.015 -6.398 1.00 0.34 C ATOM 0 H PHE A 8 9.965 1.398 -9.487 1.00 13.43 H new ATOM 0 HA PHE A 8 10.110 3.655 -11.112 1.00 14.23 H new ATOM 0 HB2 PHE A 8 12.691 3.999 -10.633 1.00 54.42 H new ATOM 0 HB3 PHE A 8 11.529 4.830 -9.617 1.00 54.42 H new ATOM 0 HD1 PHE A 8 12.006 1.232 -9.244 1.00 71.54 H new ATOM 0 HD2 PHE A 8 13.165 5.040 -7.826 1.00 42.53 H new ATOM 0 HE1 PHE A 8 13.018 0.171 -7.219 1.00 73.54 H new ATOM 0 HE2 PHE A 8 14.177 3.978 -5.802 1.00 52.53 H new ATOM 0 HZ PHE A 8 14.091 1.556 -5.524 1.00 0.34 H new ATOM 127 N GLY A 9 10.614 0.912 -11.654 1.00 52.04 N ATOM 128 CA GLY A 9 11.058 -0.174 -12.512 1.00 4.24 C ATOM 129 C GLY A 9 9.871 -0.999 -13.012 1.00 51.30 C ATOM 130 O GLY A 9 9.723 -1.215 -14.214 1.00 11.41 O ATOM 0 H GLY A 9 9.688 0.782 -11.246 1.00 52.04 H new ATOM 0 HA2 GLY A 9 11.608 0.231 -13.362 1.00 4.24 H new ATOM 0 HA3 GLY A 9 11.747 -0.817 -11.964 1.00 4.24 H new ATOM 134 N LYS A 10 9.055 -1.437 -12.065 1.00 30.33 N ATOM 135 CA LYS A 10 7.885 -2.234 -12.394 1.00 41.33 C ATOM 136 C LYS A 10 6.900 -1.378 -13.193 1.00 35.23 C ATOM 137 O LYS A 10 6.500 -1.750 -14.295 1.00 22.41 O ATOM 138 CB LYS A 10 7.282 -2.848 -11.130 1.00 31.43 C ATOM 139 CG LYS A 10 8.370 -3.165 -10.101 1.00 54.22 C ATOM 140 CD LYS A 10 8.299 -2.201 -8.915 1.00 23.32 C ATOM 141 CE LYS A 10 9.664 -1.565 -8.644 1.00 11.12 C ATOM 142 NZ LYS A 10 10.743 -2.565 -8.802 1.00 61.34 N ATOM 0 H LYS A 10 9.181 -1.255 -11.069 1.00 30.33 H new ATOM 0 HA LYS A 10 8.163 -3.077 -13.027 1.00 41.33 H new ATOM 0 HB2 LYS A 10 6.557 -2.159 -10.697 1.00 31.43 H new ATOM 0 HB3 LYS A 10 6.742 -3.760 -11.386 1.00 31.43 H new ATOM 0 HG2 LYS A 10 8.255 -4.190 -9.749 1.00 54.22 H new ATOM 0 HG3 LYS A 10 9.351 -3.098 -10.571 1.00 54.22 H new ATOM 0 HD2 LYS A 10 7.565 -1.422 -9.118 1.00 23.32 H new ATOM 0 HD3 LYS A 10 7.960 -2.735 -8.027 1.00 23.32 H new ATOM 0 HE2 LYS A 10 9.827 -0.734 -9.330 1.00 11.12 H new ATOM 0 HE3 LYS A 10 9.686 -1.154 -7.635 1.00 11.12 H new ATOM 0 HZ1 LYS A 10 11.504 -2.365 -8.122 1.00 61.34 H new ATOM 0 HZ2 LYS A 10 10.363 -3.517 -8.625 1.00 61.34 H new ATOM 0 HZ3 LYS A 10 11.121 -2.518 -9.770 1.00 61.34 H new ATOM 155 N SER A 11 6.536 -0.248 -12.605 1.00 54.22 N ATOM 156 CA SER A 11 5.604 0.664 -13.248 1.00 22.30 C ATOM 157 C SER A 11 6.099 1.013 -14.653 1.00 23.11 C ATOM 158 O SER A 11 5.299 1.223 -15.563 1.00 14.03 O ATOM 159 CB SER A 11 5.418 1.936 -12.419 1.00 44.22 C ATOM 160 OG SER A 11 4.151 2.545 -12.653 1.00 22.04 O ATOM 0 H SER A 11 6.869 0.057 -11.691 1.00 54.22 H new ATOM 0 HA SER A 11 4.636 0.168 -13.324 1.00 22.30 H new ATOM 0 HB2 SER A 11 5.515 1.696 -11.360 1.00 44.22 H new ATOM 0 HB3 SER A 11 6.211 2.644 -12.659 1.00 44.22 H new ATOM 0 HG SER A 11 4.070 3.353 -12.104 1.00 22.04 H new ATOM 166 N VAL A 12 7.416 1.064 -14.786 1.00 25.02 N ATOM 167 CA VAL A 12 8.028 1.384 -16.065 1.00 11.05 C ATOM 168 C VAL A 12 7.659 0.305 -17.085 1.00 45.52 C ATOM 169 O VAL A 12 7.494 0.596 -18.269 1.00 3.41 O ATOM 170 CB VAL A 12 9.539 1.555 -15.894 1.00 72.21 C ATOM 171 CG1 VAL A 12 10.274 1.275 -17.207 1.00 14.25 C ATOM 172 CG2 VAL A 12 9.876 2.949 -15.363 1.00 4.23 C ATOM 0 H VAL A 12 8.077 0.889 -14.029 1.00 25.02 H new ATOM 0 HA VAL A 12 7.649 2.333 -16.444 1.00 11.05 H new ATOM 0 HB VAL A 12 9.878 0.826 -15.158 1.00 72.21 H new ATOM 0 HG11 VAL A 12 11.346 1.403 -17.058 1.00 14.25 H new ATOM 0 HG12 VAL A 12 10.072 0.253 -17.526 1.00 14.25 H new ATOM 0 HG13 VAL A 12 9.928 1.969 -17.973 1.00 14.25 H new ATOM 0 HG21 VAL A 12 10.956 3.044 -15.251 1.00 4.23 H new ATOM 0 HG22 VAL A 12 9.516 3.702 -16.064 1.00 4.23 H new ATOM 0 HG23 VAL A 12 9.396 3.096 -14.395 1.00 4.23 H new ATOM 182 N ARG A 13 7.542 -0.918 -16.590 1.00 14.44 N ATOM 183 CA ARG A 13 7.196 -2.041 -17.444 1.00 32.13 C ATOM 184 C ARG A 13 5.756 -1.905 -17.942 1.00 73.33 C ATOM 185 O ARG A 13 5.444 -2.300 -19.065 1.00 32.44 O ATOM 186 CB ARG A 13 7.347 -3.368 -16.697 1.00 14.34 C ATOM 187 CG ARG A 13 8.741 -3.494 -16.079 1.00 51.22 C ATOM 188 CD ARG A 13 9.808 -2.922 -17.014 1.00 64.24 C ATOM 189 NE ARG A 13 9.692 -3.541 -18.354 1.00 22.54 N ATOM 190 CZ ARG A 13 9.998 -4.829 -18.621 1.00 42.23 C ATOM 191 NH1 ARG A 13 10.442 -5.645 -17.642 1.00 64.33 N ATOM 192 NH2 ARG A 13 9.857 -5.277 -19.855 1.00 33.13 N ATOM 0 H ARG A 13 7.681 -1.156 -15.608 1.00 14.44 H new ATOM 0 HA ARG A 13 7.880 -2.035 -18.293 1.00 32.13 H new ATOM 0 HB2 ARG A 13 6.591 -3.437 -15.915 1.00 14.34 H new ATOM 0 HB3 ARG A 13 7.173 -4.197 -17.383 1.00 14.34 H new ATOM 0 HG2 ARG A 13 8.769 -2.968 -15.125 1.00 51.22 H new ATOM 0 HG3 ARG A 13 8.958 -4.542 -15.872 1.00 51.22 H new ATOM 0 HD2 ARG A 13 9.693 -1.841 -17.093 1.00 64.24 H new ATOM 0 HD3 ARG A 13 10.800 -3.108 -16.603 1.00 64.24 H new ATOM 0 HE ARG A 13 9.360 -2.959 -19.123 1.00 22.54 H new ATOM 0 HH11 ARG A 13 10.549 -5.290 -16.692 1.00 64.33 H new ATOM 0 HH12 ARG A 13 10.671 -6.616 -17.852 1.00 64.33 H new ATOM 0 HH21 ARG A 13 9.522 -4.653 -20.589 1.00 33.13 H new ATOM 0 HH22 ARG A 13 10.084 -6.247 -20.074 1.00 33.13 H new ATOM 205 N HIS A 14 4.916 -1.345 -17.084 1.00 23.33 N ATOM 206 CA HIS A 14 3.517 -1.153 -17.423 1.00 14.50 C ATOM 207 C HIS A 14 3.379 0.035 -18.378 1.00 71.32 C ATOM 208 O HIS A 14 2.633 -0.032 -19.354 1.00 34.03 O ATOM 209 CB HIS A 14 2.668 -0.999 -16.160 1.00 14.45 C ATOM 210 CG HIS A 14 1.478 -0.083 -16.327 1.00 21.43 C ATOM 211 ND1 HIS A 14 1.411 1.248 -16.617 1.00 74.10 N flip ATOM 212 CD2 HIS A 14 0.172 -0.520 -16.193 1.00 25.33 C flip ATOM 213 CE1 HIS A 14 0.134 1.604 -16.659 1.00 75.25 C flip ATOM 214 NE2 HIS A 14 -0.636 0.510 -16.396 1.00 52.44 N flip ATOM 0 H HIS A 14 5.178 -1.018 -16.154 1.00 23.33 H new ATOM 0 HA HIS A 14 3.140 -2.036 -17.939 1.00 14.50 H new ATOM 0 HB2 HIS A 14 2.316 -1.983 -15.849 1.00 14.45 H new ATOM 0 HB3 HIS A 14 3.297 -0.617 -15.356 1.00 14.45 H new ATOM 0 HD2 HIS A 14 -0.136 -1.529 -15.962 1.00 25.33 H new ATOM 0 HE1 HIS A 14 -0.235 2.597 -16.867 1.00 75.25 H new ATOM 0 HE2 HIS A 14 -1.655 0.488 -16.362 1.00 52.44 H new ATOM 222 N VAL A 15 4.110 1.094 -18.064 1.00 65.41 N ATOM 223 CA VAL A 15 4.080 2.294 -18.882 1.00 55.12 C ATOM 224 C VAL A 15 4.721 1.998 -20.239 1.00 63.01 C ATOM 225 O VAL A 15 4.296 2.535 -21.261 1.00 64.51 O ATOM 226 CB VAL A 15 4.755 3.450 -18.141 1.00 55.01 C ATOM 227 CG1 VAL A 15 6.234 3.554 -18.518 1.00 74.24 C ATOM 228 CG2 VAL A 15 4.027 4.770 -18.405 1.00 61.24 C ATOM 0 H VAL A 15 4.727 1.146 -17.254 1.00 65.41 H new ATOM 0 HA VAL A 15 3.051 2.602 -19.069 1.00 55.12 H new ATOM 0 HB VAL A 15 4.696 3.243 -17.072 1.00 55.01 H new ATOM 0 HG11 VAL A 15 6.690 4.384 -17.977 1.00 74.24 H new ATOM 0 HG12 VAL A 15 6.743 2.626 -18.255 1.00 74.24 H new ATOM 0 HG13 VAL A 15 6.325 3.726 -19.590 1.00 74.24 H new ATOM 0 HG21 VAL A 15 4.527 5.575 -17.867 1.00 61.24 H new ATOM 0 HG22 VAL A 15 4.040 4.985 -19.473 1.00 61.24 H new ATOM 0 HG23 VAL A 15 2.995 4.691 -18.063 1.00 61.24 H new ATOM 238 N VAL A 16 5.734 1.145 -20.205 1.00 64.21 N ATOM 239 CA VAL A 16 6.439 0.771 -21.420 1.00 20.24 C ATOM 240 C VAL A 16 5.437 0.224 -22.438 1.00 34.33 C ATOM 241 O VAL A 16 5.531 0.520 -23.628 1.00 14.12 O ATOM 242 CB VAL A 16 7.559 -0.219 -21.091 1.00 75.23 C ATOM 243 CG1 VAL A 16 7.918 -1.065 -22.314 1.00 63.04 C ATOM 244 CG2 VAL A 16 8.790 0.507 -20.545 1.00 74.31 C ATOM 0 H VAL A 16 6.084 0.702 -19.355 1.00 64.21 H new ATOM 0 HA VAL A 16 6.915 1.642 -21.869 1.00 20.24 H new ATOM 0 HB VAL A 16 7.195 -0.891 -20.314 1.00 75.23 H new ATOM 0 HG11 VAL A 16 8.716 -1.760 -22.054 1.00 63.04 H new ATOM 0 HG12 VAL A 16 7.041 -1.625 -22.639 1.00 63.04 H new ATOM 0 HG13 VAL A 16 8.253 -0.414 -23.121 1.00 63.04 H new ATOM 0 HG21 VAL A 16 9.571 -0.220 -20.319 1.00 74.31 H new ATOM 0 HG22 VAL A 16 9.156 1.213 -21.290 1.00 74.31 H new ATOM 0 HG23 VAL A 16 8.522 1.045 -19.636 1.00 74.31 H new ATOM 254 N ASP A 17 4.500 -0.565 -21.933 1.00 32.43 N ATOM 255 CA ASP A 17 3.481 -1.157 -22.783 1.00 51.23 C ATOM 256 C ASP A 17 2.555 -0.055 -23.304 1.00 22.41 C ATOM 257 O ASP A 17 1.945 -0.201 -24.362 1.00 34.33 O ATOM 258 CB ASP A 17 2.629 -2.162 -22.005 1.00 41.43 C ATOM 259 CG ASP A 17 3.177 -3.590 -21.978 1.00 43.22 C ATOM 260 OD1 ASP A 17 3.233 -4.233 -20.919 1.00 41.53 O ATOM 261 OD2 ASP A 17 3.563 -4.047 -23.121 1.00 70.50 O ATOM 0 H ASP A 17 4.425 -0.808 -20.945 1.00 32.43 H new ATOM 0 HA ASP A 17 3.983 -1.670 -23.604 1.00 51.23 H new ATOM 0 HB2 ASP A 17 2.525 -1.809 -20.979 1.00 41.43 H new ATOM 0 HB3 ASP A 17 1.629 -2.181 -22.439 1.00 41.43 H new ATOM 267 N ALA A 18 2.480 1.022 -22.537 1.00 2.14 N ATOM 268 CA ALA A 18 1.639 2.148 -22.907 1.00 63.31 C ATOM 269 C ALA A 18 2.175 2.776 -24.195 1.00 55.42 C ATOM 270 O ALA A 18 1.401 3.165 -25.069 1.00 34.42 O ATOM 271 CB ALA A 18 1.584 3.147 -21.750 1.00 23.23 C ATOM 0 H ALA A 18 2.988 1.139 -21.660 1.00 2.14 H new ATOM 0 HA ALA A 18 0.618 1.818 -23.100 1.00 63.31 H new ATOM 0 HB1 ALA A 18 0.953 3.991 -22.028 1.00 23.23 H new ATOM 0 HB2 ALA A 18 1.170 2.659 -20.868 1.00 23.23 H new ATOM 0 HB3 ALA A 18 2.590 3.503 -21.529 1.00 23.23 H new ATOM 277 N ILE A 19 3.495 2.857 -24.272 1.00 53.32 N ATOM 278 CA ILE A 19 4.142 3.432 -25.439 1.00 5.21 C ATOM 279 C ILE A 19 3.824 2.577 -26.667 1.00 25.32 C ATOM 280 O ILE A 19 3.902 3.054 -27.798 1.00 1.44 O ATOM 281 CB ILE A 19 5.641 3.612 -25.186 1.00 33.12 C ATOM 282 CG1 ILE A 19 5.893 4.693 -24.133 1.00 21.34 C ATOM 283 CG2 ILE A 19 6.387 3.898 -26.491 1.00 33.33 C ATOM 284 CD1 ILE A 19 6.716 4.141 -22.967 1.00 64.21 C ATOM 0 H ILE A 19 4.134 2.534 -23.545 1.00 53.32 H new ATOM 0 HA ILE A 19 3.753 4.431 -25.637 1.00 5.21 H new ATOM 0 HB ILE A 19 6.035 2.677 -24.788 1.00 33.12 H new ATOM 0 HG12 ILE A 19 6.418 5.533 -24.588 1.00 21.34 H new ATOM 0 HG13 ILE A 19 4.941 5.074 -23.763 1.00 21.34 H new ATOM 0 HG21 ILE A 19 7.450 4.022 -26.283 1.00 33.33 H new ATOM 0 HG22 ILE A 19 6.247 3.065 -27.180 1.00 33.33 H new ATOM 0 HG23 ILE A 19 5.997 4.811 -26.941 1.00 33.33 H new ATOM 0 HD11 ILE A 19 6.881 4.929 -22.233 1.00 64.21 H new ATOM 0 HD12 ILE A 19 6.177 3.317 -22.500 1.00 64.21 H new ATOM 0 HD13 ILE A 19 7.677 3.783 -23.337 1.00 64.21 H new ATOM 296 N GLY A 20 3.473 1.327 -26.403 1.00 21.13 N ATOM 297 CA GLY A 20 3.143 0.400 -27.472 1.00 50.32 C ATOM 298 C GLY A 20 1.628 0.231 -27.603 1.00 31.23 C ATOM 299 O GLY A 20 1.141 -0.272 -28.614 1.00 72.20 O ATOM 0 H GLY A 20 3.410 0.934 -25.464 1.00 21.13 H new ATOM 0 HA2 GLY A 20 3.555 0.764 -28.413 1.00 50.32 H new ATOM 0 HA3 GLY A 20 3.605 -0.567 -27.275 1.00 50.32 H new ATOM 303 N SER A 21 0.925 0.660 -26.565 1.00 0.20 N ATOM 304 CA SER A 21 -0.525 0.562 -26.551 1.00 3.31 C ATOM 305 C SER A 21 -1.141 1.845 -27.114 1.00 32.52 C ATOM 306 O SER A 21 -2.296 1.848 -27.538 1.00 1.35 O ATOM 307 CB SER A 21 -1.045 0.300 -25.136 1.00 72.44 C ATOM 308 OG SER A 21 -0.516 -0.904 -24.588 1.00 23.42 O ATOM 0 H SER A 21 1.332 1.076 -25.728 1.00 0.20 H new ATOM 0 HA SER A 21 -0.818 -0.280 -27.178 1.00 3.31 H new ATOM 0 HB2 SER A 21 -0.781 1.138 -24.492 1.00 72.44 H new ATOM 0 HB3 SER A 21 -2.133 0.243 -25.154 1.00 72.44 H new ATOM 0 HG SER A 21 0.463 -0.854 -24.572 1.00 23.42 H new ATOM 314 N VAL A 22 -0.343 2.902 -27.100 1.00 15.32 N ATOM 315 CA VAL A 22 -0.796 4.188 -27.604 1.00 33.24 C ATOM 316 C VAL A 22 -1.174 4.048 -29.080 1.00 30.14 C ATOM 317 O VAL A 22 -2.063 4.746 -29.565 1.00 62.24 O ATOM 318 CB VAL A 22 0.275 5.252 -27.359 1.00 10.51 C ATOM 319 CG1 VAL A 22 1.631 4.802 -27.907 1.00 55.43 C ATOM 320 CG2 VAL A 22 -0.141 6.597 -27.960 1.00 22.32 C ATOM 0 H VAL A 22 0.614 2.895 -26.748 1.00 15.32 H new ATOM 0 HA VAL A 22 -1.688 4.515 -27.070 1.00 33.24 H new ATOM 0 HB VAL A 22 0.377 5.383 -26.282 1.00 10.51 H new ATOM 0 HG11 VAL A 22 2.374 5.577 -27.720 1.00 55.43 H new ATOM 0 HG12 VAL A 22 1.935 3.880 -27.412 1.00 55.43 H new ATOM 0 HG13 VAL A 22 1.550 4.628 -28.980 1.00 55.43 H new ATOM 0 HG21 VAL A 22 0.638 7.336 -27.772 1.00 22.32 H new ATOM 0 HG22 VAL A 22 -0.284 6.486 -29.035 1.00 22.32 H new ATOM 0 HG23 VAL A 22 -1.073 6.928 -27.502 1.00 22.32 H new ATOM 330 N ALA A 23 -0.480 3.141 -29.752 1.00 1.43 N ATOM 331 CA ALA A 23 -0.731 2.901 -31.163 1.00 13.15 C ATOM 332 C ALA A 23 -2.088 2.212 -31.324 1.00 62.02 C ATOM 333 O ALA A 23 -2.641 2.172 -32.422 1.00 41.21 O ATOM 334 CB ALA A 23 0.415 2.077 -31.752 1.00 41.45 C ATOM 0 H ALA A 23 0.256 2.564 -29.345 1.00 1.43 H new ATOM 0 HA ALA A 23 -0.771 3.842 -31.712 1.00 13.15 H new ATOM 0 HB1 ALA A 23 0.227 1.897 -32.810 1.00 41.45 H new ATOM 0 HB2 ALA A 23 1.352 2.623 -31.638 1.00 41.45 H new ATOM 0 HB3 ALA A 23 0.484 1.124 -31.228 1.00 41.45 H new ATOM 340 N GLY A 24 -2.585 1.686 -30.214 1.00 45.21 N ATOM 341 CA GLY A 24 -3.866 1.001 -30.219 1.00 23.31 C ATOM 342 C GLY A 24 -4.907 1.780 -29.413 1.00 33.40 C ATOM 343 O GLY A 24 -6.101 1.495 -29.495 1.00 70.41 O ATOM 0 H GLY A 24 -2.123 1.721 -29.305 1.00 45.21 H new ATOM 0 HA2 GLY A 24 -4.213 0.878 -31.245 1.00 23.31 H new ATOM 0 HA3 GLY A 24 -3.750 0.002 -29.800 1.00 23.31 H new ATOM 347 N ILE A 25 -4.418 2.748 -28.652 1.00 65.44 N ATOM 348 CA ILE A 25 -5.291 3.570 -27.832 1.00 71.43 C ATOM 349 C ILE A 25 -5.705 4.812 -28.623 1.00 52.21 C ATOM 350 O ILE A 25 -6.836 5.282 -28.501 1.00 65.21 O ATOM 351 CB ILE A 25 -4.625 3.887 -26.492 1.00 51.30 C ATOM 352 CG1 ILE A 25 -4.388 2.611 -25.682 1.00 4.43 C ATOM 353 CG2 ILE A 25 -5.436 4.921 -25.708 1.00 41.54 C ATOM 354 CD1 ILE A 25 -3.248 2.803 -24.679 1.00 32.13 C ATOM 0 H ILE A 25 -3.427 2.982 -28.586 1.00 65.44 H new ATOM 0 HA ILE A 25 -6.205 3.029 -27.587 1.00 71.43 H new ATOM 0 HB ILE A 25 -3.648 4.328 -26.692 1.00 51.30 H new ATOM 0 HG12 ILE A 25 -5.301 2.337 -25.153 1.00 4.43 H new ATOM 0 HG13 ILE A 25 -4.150 1.787 -26.355 1.00 4.43 H new ATOM 0 HG21 ILE A 25 -4.941 5.129 -24.759 1.00 41.54 H new ATOM 0 HG22 ILE A 25 -5.510 5.841 -26.288 1.00 41.54 H new ATOM 0 HG23 ILE A 25 -6.436 4.531 -25.518 1.00 41.54 H new ATOM 0 HD11 ILE A 25 -3.100 1.882 -24.116 1.00 32.13 H new ATOM 0 HD12 ILE A 25 -2.332 3.053 -25.213 1.00 32.13 H new ATOM 0 HD13 ILE A 25 -3.500 3.611 -23.992 1.00 32.13 H new ATOM 366 N ARG A 26 -4.768 5.309 -29.416 1.00 43.43 N ATOM 367 CA ARG A 26 -5.021 6.488 -30.227 1.00 10.41 C ATOM 368 C ARG A 26 -5.992 6.154 -31.361 1.00 14.22 C ATOM 369 O ARG A 26 -6.805 6.990 -31.754 1.00 2.25 O ATOM 370 CB ARG A 26 -3.723 7.037 -30.822 1.00 3.00 C ATOM 371 CG ARG A 26 -3.822 8.545 -31.059 1.00 15.33 C ATOM 372 CD ARG A 26 -4.198 9.279 -29.770 1.00 13.03 C ATOM 373 NE ARG A 26 -3.804 10.702 -29.864 1.00 4.20 N ATOM 374 CZ ARG A 26 -3.764 11.548 -28.812 1.00 73.05 C ATOM 375 NH1 ARG A 26 -4.096 11.120 -27.576 1.00 30.31 N ATOM 376 NH2 ARG A 26 -3.397 12.800 -29.012 1.00 3.14 N ATOM 0 H ARG A 26 -3.832 4.917 -29.515 1.00 43.43 H new ATOM 0 HA ARG A 26 -5.460 7.247 -29.580 1.00 10.41 H new ATOM 0 HB2 ARG A 26 -2.892 6.825 -30.149 1.00 3.00 H new ATOM 0 HB3 ARG A 26 -3.508 6.531 -31.763 1.00 3.00 H new ATOM 0 HG2 ARG A 26 -2.869 8.922 -31.431 1.00 15.33 H new ATOM 0 HG3 ARG A 26 -4.567 8.748 -31.828 1.00 15.33 H new ATOM 0 HD2 ARG A 26 -5.271 9.201 -29.597 1.00 13.03 H new ATOM 0 HD3 ARG A 26 -3.703 8.812 -28.918 1.00 13.03 H new ATOM 0 HE ARG A 26 -3.546 11.067 -30.781 1.00 4.20 H new ATOM 0 HH11 ARG A 26 -4.380 10.151 -27.431 1.00 30.31 H new ATOM 0 HH12 ARG A 26 -4.063 11.765 -26.787 1.00 30.31 H new ATOM 0 HH21 ARG A 26 -3.149 13.115 -29.950 1.00 3.14 H new ATOM 0 HH22 ARG A 26 -3.361 13.452 -28.229 1.00 3.14 H new ATOM 389 N GLY A 27 -5.877 4.930 -31.855 1.00 4.41 N ATOM 390 CA GLY A 27 -6.734 4.475 -32.936 1.00 15.51 C ATOM 391 C GLY A 27 -8.172 4.278 -32.449 1.00 43.55 C ATOM 392 O GLY A 27 -9.121 4.608 -33.158 1.00 74.04 O ATOM 0 H GLY A 27 -5.203 4.239 -31.526 1.00 4.41 H new ATOM 0 HA2 GLY A 27 -6.718 5.201 -33.748 1.00 15.51 H new ATOM 0 HA3 GLY A 27 -6.351 3.537 -33.339 1.00 15.51 H new ATOM 396 N ILE A 28 -8.286 3.742 -31.243 1.00 51.05 N ATOM 397 CA ILE A 28 -9.591 3.497 -30.654 1.00 14.20 C ATOM 398 C ILE A 28 -10.162 4.814 -30.123 1.00 44.12 C ATOM 399 O ILE A 28 -11.361 4.918 -29.869 1.00 64.20 O ATOM 400 CB ILE A 28 -9.504 2.395 -29.597 1.00 23.41 C ATOM 401 CG1 ILE A 28 -8.908 2.931 -28.294 1.00 30.25 C ATOM 402 CG2 ILE A 28 -8.728 1.187 -30.127 1.00 73.04 C ATOM 403 CD1 ILE A 28 -8.760 1.814 -27.258 1.00 41.02 C ATOM 0 H ILE A 28 -7.496 3.471 -30.658 1.00 51.05 H new ATOM 0 HA ILE A 28 -10.286 3.129 -31.409 1.00 14.20 H new ATOM 0 HB ILE A 28 -10.515 2.056 -29.373 1.00 23.41 H new ATOM 0 HG12 ILE A 28 -7.934 3.379 -28.493 1.00 30.25 H new ATOM 0 HG13 ILE A 28 -9.546 3.719 -27.895 1.00 30.25 H new ATOM 0 HG21 ILE A 28 -8.681 0.418 -29.356 1.00 73.04 H new ATOM 0 HG22 ILE A 28 -9.233 0.788 -31.007 1.00 73.04 H new ATOM 0 HG23 ILE A 28 -7.717 1.493 -30.396 1.00 73.04 H new ATOM 0 HD11 ILE A 28 -8.334 2.222 -26.341 1.00 41.02 H new ATOM 0 HD12 ILE A 28 -9.739 1.385 -27.044 1.00 41.02 H new ATOM 0 HD13 ILE A 28 -8.102 1.039 -27.650 1.00 41.02 H new ATOM 415 N LEU A 29 -9.275 5.787 -29.972 1.00 14.24 N ATOM 416 CA LEU A 29 -9.675 7.093 -29.476 1.00 13.14 C ATOM 417 C LEU A 29 -10.681 7.716 -30.446 1.00 1.31 C ATOM 418 O LEU A 29 -11.508 8.535 -30.047 1.00 71.35 O ATOM 419 CB LEU A 29 -8.447 7.968 -29.218 1.00 23.44 C ATOM 420 CG LEU A 29 -8.595 9.451 -29.561 1.00 51.13 C ATOM 421 CD1 LEU A 29 -7.410 10.258 -29.029 1.00 45.51 C ATOM 422 CD2 LEU A 29 -8.794 9.648 -31.065 1.00 42.24 C ATOM 0 H LEU A 29 -8.281 5.697 -30.184 1.00 14.24 H new ATOM 0 HA LEU A 29 -10.177 6.997 -28.513 1.00 13.14 H new ATOM 0 HB2 LEU A 29 -8.181 7.884 -28.164 1.00 23.44 H new ATOM 0 HB3 LEU A 29 -7.612 7.565 -29.791 1.00 23.44 H new ATOM 0 HG LEU A 29 -9.489 9.829 -29.065 1.00 51.13 H new ATOM 0 HD11 LEU A 29 -7.541 11.309 -29.287 1.00 45.51 H new ATOM 0 HD12 LEU A 29 -7.356 10.154 -27.945 1.00 45.51 H new ATOM 0 HD13 LEU A 29 -6.487 9.887 -29.475 1.00 45.51 H new ATOM 0 HD21 LEU A 29 -8.897 10.711 -31.282 1.00 42.24 H new ATOM 0 HD22 LEU A 29 -7.933 9.250 -31.601 1.00 42.24 H new ATOM 0 HD23 LEU A 29 -9.695 9.124 -31.385 1.00 42.24 H new ATOM 434 N LYS A 30 -10.576 7.305 -31.701 1.00 54.11 N ATOM 435 CA LYS A 30 -11.466 7.813 -32.731 1.00 74.24 C ATOM 436 C LYS A 30 -12.881 7.288 -32.481 1.00 35.20 C ATOM 437 O LYS A 30 -13.839 7.759 -33.092 1.00 15.44 O ATOM 438 CB LYS A 30 -10.923 7.477 -34.122 1.00 0.22 C ATOM 439 CG LYS A 30 -11.033 5.978 -34.406 1.00 63.20 C ATOM 440 CD LYS A 30 -12.244 5.675 -35.291 1.00 24.43 C ATOM 441 CE LYS A 30 -11.810 5.359 -36.724 1.00 12.22 C ATOM 442 NZ LYS A 30 -12.645 4.276 -37.291 1.00 44.30 N ATOM 0 H LYS A 30 -9.888 6.626 -32.028 1.00 54.11 H new ATOM 0 HA LYS A 30 -11.517 8.901 -32.687 1.00 74.24 H new ATOM 0 HB2 LYS A 30 -11.476 8.035 -34.877 1.00 0.22 H new ATOM 0 HB3 LYS A 30 -9.881 7.789 -34.195 1.00 0.22 H new ATOM 0 HG2 LYS A 30 -10.124 5.629 -34.896 1.00 63.20 H new ATOM 0 HG3 LYS A 30 -11.119 5.432 -33.467 1.00 63.20 H new ATOM 0 HD2 LYS A 30 -12.797 4.830 -34.880 1.00 24.43 H new ATOM 0 HD3 LYS A 30 -12.921 6.529 -35.292 1.00 24.43 H new ATOM 0 HE2 LYS A 30 -11.895 6.253 -37.342 1.00 12.22 H new ATOM 0 HE3 LYS A 30 -10.761 5.062 -36.736 1.00 12.22 H new ATOM 0 HZ1 LYS A 30 -12.338 4.074 -38.264 1.00 44.30 H new ATOM 0 HZ2 LYS A 30 -12.543 3.419 -36.710 1.00 44.30 H new ATOM 0 HZ3 LYS A 30 -13.642 4.573 -37.298 1.00 44.30 H new ATOM 455 N SER A 31 -12.968 6.319 -31.582 1.00 31.32 N ATOM 456 CA SER A 31 -14.250 5.724 -31.243 1.00 52.50 C ATOM 457 C SER A 31 -14.785 6.337 -29.947 1.00 42.30 C ATOM 458 O SER A 31 -15.942 6.127 -29.588 1.00 54.22 O ATOM 459 CB SER A 31 -14.133 4.205 -31.103 1.00 54.42 C ATOM 460 OG SER A 31 -14.551 3.527 -32.285 1.00 34.15 O ATOM 0 H SER A 31 -12.171 5.931 -31.077 1.00 31.32 H new ATOM 0 HA SER A 31 -14.949 5.934 -32.053 1.00 52.50 H new ATOM 0 HB2 SER A 31 -13.100 3.940 -30.879 1.00 54.42 H new ATOM 0 HB3 SER A 31 -14.738 3.871 -30.260 1.00 54.42 H new ATOM 0 HG SER A 31 -14.460 2.560 -32.157 1.00 34.15 H new ATOM 466 N ILE A 32 -13.916 7.083 -29.280 1.00 71.13 N ATOM 467 CA ILE A 32 -14.286 7.728 -28.032 1.00 33.32 C ATOM 468 C ILE A 32 -14.607 9.200 -28.299 1.00 33.33 C ATOM 469 O ILE A 32 -15.560 9.742 -27.741 1.00 72.11 O ATOM 470 CB ILE A 32 -13.199 7.517 -26.977 1.00 25.02 C ATOM 471 CG1 ILE A 32 -12.432 6.218 -27.232 1.00 22.43 C ATOM 472 CG2 ILE A 32 -13.787 7.568 -25.565 1.00 44.02 C ATOM 473 CD1 ILE A 32 -13.344 5.001 -27.064 1.00 71.23 C ATOM 0 H ILE A 32 -12.957 7.255 -29.581 1.00 71.13 H new ATOM 0 HA ILE A 32 -15.188 7.274 -27.622 1.00 33.32 H new ATOM 0 HB ILE A 32 -12.483 8.335 -27.057 1.00 25.02 H new ATOM 0 HG12 ILE A 32 -12.016 6.229 -28.239 1.00 22.43 H new ATOM 0 HG13 ILE A 32 -11.592 6.146 -26.541 1.00 22.43 H new ATOM 0 HG21 ILE A 32 -12.993 7.415 -24.834 1.00 44.02 H new ATOM 0 HG22 ILE A 32 -14.251 8.540 -25.399 1.00 44.02 H new ATOM 0 HG23 ILE A 32 -14.537 6.785 -25.455 1.00 44.02 H new ATOM 0 HD11 ILE A 32 -12.774 4.091 -27.251 1.00 71.23 H new ATOM 0 HD12 ILE A 32 -13.739 4.980 -26.048 1.00 71.23 H new ATOM 0 HD13 ILE A 32 -14.169 5.064 -27.773 1.00 71.23 H new ATOM 485 N ARG A 33 -13.793 9.805 -29.152 1.00 35.55 N ATOM 486 CA ARG A 33 -13.979 11.203 -29.499 1.00 42.21 C ATOM 487 C ARG A 33 -13.798 12.086 -28.263 1.00 32.15 C ATOM 488 O ARG A 33 -14.773 12.443 -27.603 1.00 50.41 O ATOM 489 CB ARG A 33 -15.369 11.444 -30.091 1.00 10.13 C ATOM 490 CG ARG A 33 -15.396 11.105 -31.582 1.00 54.04 C ATOM 491 CD ARG A 33 -16.732 10.470 -31.976 1.00 2.11 C ATOM 492 NE ARG A 33 -17.847 11.191 -31.323 1.00 0.23 N ATOM 493 CZ ARG A 33 -19.104 11.245 -31.813 1.00 3.10 C ATOM 494 NH1 ARG A 33 -19.416 10.620 -32.968 1.00 30.42 N ATOM 495 NH2 ARG A 33 -20.022 11.919 -31.146 1.00 74.23 N ATOM 0 H ARG A 33 -13.004 9.352 -29.613 1.00 35.55 H new ATOM 0 HA ARG A 33 -13.229 11.461 -30.247 1.00 42.21 H new ATOM 0 HB2 ARG A 33 -16.104 10.836 -29.563 1.00 10.13 H new ATOM 0 HB3 ARG A 33 -15.654 12.486 -29.946 1.00 10.13 H new ATOM 0 HG2 ARG A 33 -15.233 12.010 -32.167 1.00 54.04 H new ATOM 0 HG3 ARG A 33 -14.581 10.421 -31.818 1.00 54.04 H new ATOM 0 HD2 ARG A 33 -16.853 10.500 -33.059 1.00 2.11 H new ATOM 0 HD3 ARG A 33 -16.746 9.420 -31.683 1.00 2.11 H new ATOM 0 HE ARG A 33 -17.654 11.678 -30.448 1.00 0.23 H new ATOM 0 HH11 ARG A 33 -18.700 10.102 -33.477 1.00 30.42 H new ATOM 0 HH12 ARG A 33 -20.368 10.666 -33.332 1.00 30.42 H new ATOM 0 HH21 ARG A 33 -19.777 12.389 -30.275 1.00 74.23 H new ATOM 0 HH22 ARG A 33 -20.976 11.970 -31.502 1.00 74.23 H new TER 508 ARG A 33