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+ -147:sc= 0.236 (180deg=0.0173) USER MOD Single : A 2 ASN : amide:sc= -0.479 X(o=-0.48,f=-0.27) USER MOD Single : A 6 TYR OH : rot 103:sc= 0.156 USER MOD Single : A 7 ASN : amide:sc= -7.52! C(o=-7.5!,f=-20!) USER MOD Single : A 10 LYS NZ :NH3+ 150:sc= -3.35! (180deg=-4.37!) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 14 HIS : no HD1:sc= -2.21! K(o=-2.2!,f=-0.77) USER MOD Single : A 21 SER OG : rot 180:sc= -2.48! 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 7.162 1.367 4.303 1.00 12.34 N ATOM 2 CA PHE A 1 7.164 1.071 2.881 1.00 62.12 C ATOM 3 C PHE A 1 8.588 1.081 2.321 1.00 21.41 C ATOM 4 O PHE A 1 9.538 1.392 3.037 1.00 3.23 O ATOM 5 CB PHE A 1 6.351 2.170 2.194 1.00 62.13 C ATOM 6 CG PHE A 1 7.088 3.506 2.073 1.00 33.43 C ATOM 7 CD1 PHE A 1 7.928 3.727 1.027 1.00 71.00 C ATOM 8 CD2 PHE A 1 6.902 4.472 3.013 1.00 61.45 C ATOM 9 CE1 PHE A 1 8.611 4.967 0.915 1.00 23.31 C ATOM 10 CE2 PHE A 1 7.586 5.711 2.901 1.00 55.23 C ATOM 11 CZ PHE A 1 8.426 5.933 1.854 1.00 33.44 C ATOM 0 H1 PHE A 1 6.389 0.847 4.765 1.00 12.34 H new ATOM 0 H2 PHE A 1 8.070 1.078 4.719 1.00 12.34 H new ATOM 0 H3 PHE A 1 7.025 2.388 4.445 1.00 12.34 H new ATOM 0 HA PHE A 1 6.740 0.082 2.706 1.00 62.12 H new ATOM 0 HB2 PHE A 1 6.070 1.830 1.197 1.00 62.13 H new ATOM 0 HB3 PHE A 1 5.427 2.326 2.750 1.00 62.13 H new ATOM 0 HD1 PHE A 1 8.076 2.960 0.281 1.00 71.00 H new ATOM 0 HD2 PHE A 1 6.235 4.296 3.844 1.00 61.45 H new ATOM 0 HE1 PHE A 1 9.278 5.143 0.084 1.00 23.31 H new ATOM 0 HE2 PHE A 1 7.439 6.478 3.647 1.00 55.23 H new ATOM 0 HZ PHE A 1 8.946 6.876 1.769 1.00 33.44 H new ATOM 21 N ASN A 2 8.691 0.736 1.046 1.00 72.30 N ATOM 22 CA ASN A 2 9.983 0.701 0.382 1.00 72.21 C ATOM 23 C ASN A 2 9.830 1.220 -1.049 1.00 71.33 C ATOM 24 O ASN A 2 10.340 2.288 -1.384 1.00 32.21 O ATOM 25 CB ASN A 2 10.527 -0.727 0.311 1.00 24.14 C ATOM 26 CG ASN A 2 9.983 -1.579 1.460 1.00 3.21 C ATOM 27 OD1 ASN A 2 10.597 -1.723 2.505 1.00 71.43 O ATOM 28 ND2 ASN A 2 8.801 -2.133 1.210 1.00 55.24 N ATOM 0 H ASN A 2 7.901 0.478 0.455 1.00 72.30 H new ATOM 0 HA ASN A 2 10.673 1.322 0.954 1.00 72.21 H new ATOM 0 HB2 ASN A 2 10.252 -1.178 -0.643 1.00 24.14 H new ATOM 0 HB3 ASN A 2 11.616 -0.708 0.352 1.00 24.14 H new ATOM 0 HD21 ASN A 2 8.354 -2.720 1.914 1.00 55.24 H new ATOM 0 HD22 ASN A 2 8.341 -1.971 0.314 1.00 55.24 H new ATOM 35 N ARG A 3 9.125 0.439 -1.856 1.00 4.25 N ATOM 36 CA ARG A 3 8.899 0.807 -3.243 1.00 70.50 C ATOM 37 C ARG A 3 8.138 2.132 -3.324 1.00 64.30 C ATOM 38 O ARG A 3 8.340 2.911 -4.254 1.00 12.21 O ATOM 39 CB ARG A 3 8.104 -0.276 -3.976 1.00 51.55 C ATOM 40 CG ARG A 3 6.969 -0.810 -3.101 1.00 33.11 C ATOM 41 CD ARG A 3 7.258 -2.240 -2.641 1.00 22.24 C ATOM 42 NE ARG A 3 7.624 -3.081 -3.802 1.00 31.50 N ATOM 43 CZ ARG A 3 6.732 -3.750 -4.563 1.00 54.45 C ATOM 44 NH1 ARG A 3 5.411 -3.680 -4.292 1.00 20.02 N ATOM 45 NH2 ARG A 3 7.170 -4.472 -5.578 1.00 33.14 N ATOM 0 H ARG A 3 8.703 -0.446 -1.575 1.00 4.25 H new ATOM 0 HA ARG A 3 9.873 0.914 -3.721 1.00 70.50 H new ATOM 0 HB2 ARG A 3 7.694 0.131 -4.900 1.00 51.55 H new ATOM 0 HB3 ARG A 3 8.768 -1.094 -4.255 1.00 51.55 H new ATOM 0 HG2 ARG A 3 6.840 -0.164 -2.233 1.00 33.11 H new ATOM 0 HG3 ARG A 3 6.033 -0.786 -3.659 1.00 33.11 H new ATOM 0 HD2 ARG A 3 8.068 -2.239 -1.912 1.00 22.24 H new ATOM 0 HD3 ARG A 3 6.382 -2.655 -2.143 1.00 22.24 H new ATOM 0 HE ARG A 3 8.612 -3.160 -4.042 1.00 31.50 H new ATOM 0 HH11 ARG A 3 5.080 -3.118 -3.507 1.00 20.02 H new ATOM 0 HH12 ARG A 3 4.744 -4.189 -4.872 1.00 20.02 H new ATOM 0 HH21 ARG A 3 8.169 -4.518 -5.777 1.00 33.14 H new ATOM 0 HH22 ARG A 3 6.509 -4.984 -6.163 1.00 33.14 H new ATOM 58 N GLY A 4 7.280 2.346 -2.338 1.00 4.05 N ATOM 59 CA GLY A 4 6.489 3.563 -2.285 1.00 53.45 C ATOM 60 C GLY A 4 5.164 3.388 -3.030 1.00 53.02 C ATOM 61 O GLY A 4 4.148 3.961 -2.640 1.00 53.10 O ATOM 0 H GLY A 4 7.115 1.697 -1.569 1.00 4.05 H new ATOM 0 HA2 GLY A 4 6.294 3.829 -1.246 1.00 53.45 H new ATOM 0 HA3 GLY A 4 7.052 4.386 -2.725 1.00 53.45 H new ATOM 65 N GLY A 5 5.217 2.593 -4.089 1.00 44.40 N ATOM 66 CA GLY A 5 4.034 2.335 -4.892 1.00 0.42 C ATOM 67 C GLY A 5 4.258 2.750 -6.347 1.00 52.34 C ATOM 68 O GLY A 5 3.795 2.077 -7.267 1.00 31.12 O ATOM 0 H GLY A 5 6.061 2.119 -4.409 1.00 44.40 H new ATOM 0 HA2 GLY A 5 3.784 1.275 -4.847 1.00 0.42 H new ATOM 0 HA3 GLY A 5 3.185 2.881 -4.481 1.00 0.42 H new ATOM 72 N TYR A 6 4.968 3.857 -6.511 1.00 74.04 N ATOM 73 CA TYR A 6 5.258 4.370 -7.840 1.00 24.34 C ATOM 74 C TYR A 6 6.421 3.608 -8.479 1.00 3.22 C ATOM 75 O TYR A 6 6.577 3.615 -9.699 1.00 13.40 O ATOM 76 CB TYR A 6 5.666 5.832 -7.647 1.00 61.32 C ATOM 77 CG TYR A 6 7.117 6.019 -7.199 1.00 12.31 C ATOM 78 CD1 TYR A 6 7.447 5.901 -5.864 1.00 43.32 C ATOM 79 CD2 TYR A 6 8.095 6.307 -8.129 1.00 60.53 C ATOM 80 CE1 TYR A 6 8.813 6.078 -5.442 1.00 73.12 C ATOM 81 CE2 TYR A 6 9.460 6.483 -7.707 1.00 44.13 C ATOM 82 CZ TYR A 6 9.752 6.360 -6.385 1.00 11.14 C ATOM 83 OH TYR A 6 11.041 6.527 -5.986 1.00 64.11 O ATOM 0 H TYR A 6 5.351 4.413 -5.746 1.00 74.04 H new ATOM 0 HA TYR A 6 4.392 4.260 -8.492 1.00 24.34 H new ATOM 0 HB2 TYR A 6 5.514 6.368 -8.584 1.00 61.32 H new ATOM 0 HB3 TYR A 6 5.007 6.288 -6.908 1.00 61.32 H new ATOM 0 HD1 TYR A 6 6.682 5.676 -5.136 1.00 43.32 H new ATOM 0 HD2 TYR A 6 7.836 6.400 -9.173 1.00 60.53 H new ATOM 0 HE1 TYR A 6 9.085 5.989 -4.401 1.00 73.12 H new ATOM 0 HE2 TYR A 6 10.235 6.708 -8.425 1.00 44.13 H new ATOM 0 HH TYR A 6 11.555 5.719 -6.195 1.00 64.11 H new ATOM 93 N ASN A 7 7.208 2.969 -7.626 1.00 4.21 N ATOM 94 CA ASN A 7 8.353 2.204 -8.092 1.00 54.41 C ATOM 95 C ASN A 7 9.071 2.989 -9.192 1.00 20.12 C ATOM 96 O ASN A 7 8.872 4.195 -9.330 1.00 60.22 O ATOM 97 CB ASN A 7 7.915 0.861 -8.679 1.00 31.13 C ATOM 98 CG ASN A 7 7.185 1.055 -10.009 1.00 50.22 C ATOM 99 OD1 ASN A 7 7.692 1.653 -10.944 1.00 3.43 O ATOM 100 ND2 ASN A 7 5.969 0.518 -10.043 1.00 32.04 N ATOM 0 H ASN A 7 7.076 2.965 -6.615 1.00 4.21 H new ATOM 0 HA ASN A 7 9.011 2.029 -7.241 1.00 54.41 H new ATOM 0 HB2 ASN A 7 8.787 0.224 -8.828 1.00 31.13 H new ATOM 0 HB3 ASN A 7 7.262 0.347 -7.973 1.00 31.13 H new ATOM 0 HD21 ASN A 7 5.401 0.594 -10.887 1.00 32.04 H new ATOM 0 HD22 ASN A 7 5.604 0.030 -9.225 1.00 32.04 H new ATOM 107 N PHE A 8 9.892 2.272 -9.946 1.00 14.31 N ATOM 108 CA PHE A 8 10.641 2.886 -11.029 1.00 53.30 C ATOM 109 C PHE A 8 11.295 1.824 -11.914 1.00 60.34 C ATOM 110 O PHE A 8 12.393 2.030 -12.430 1.00 14.11 O ATOM 111 CB PHE A 8 11.734 3.742 -10.387 1.00 44.33 C ATOM 112 CG PHE A 8 12.271 3.181 -9.069 1.00 14.02 C ATOM 113 CD1 PHE A 8 12.865 1.958 -9.042 1.00 50.00 C ATOM 114 CD2 PHE A 8 12.153 3.905 -7.924 1.00 12.04 C ATOM 115 CE1 PHE A 8 13.362 1.437 -7.818 1.00 45.14 C ATOM 116 CE2 PHE A 8 12.650 3.384 -6.700 1.00 3.11 C ATOM 117 CZ PHE A 8 13.245 2.161 -6.673 1.00 53.01 C ATOM 0 H PHE A 8 10.055 1.272 -9.828 1.00 14.31 H new ATOM 0 HA PHE A 8 9.974 3.480 -11.654 1.00 53.30 H new ATOM 0 HB2 PHE A 8 12.561 3.844 -11.090 1.00 44.33 H new ATOM 0 HB3 PHE A 8 11.340 4.743 -10.210 1.00 44.33 H new ATOM 0 HD1 PHE A 8 12.959 1.383 -9.951 1.00 50.00 H new ATOM 0 HD2 PHE A 8 11.681 4.876 -7.945 1.00 12.04 H new ATOM 0 HE1 PHE A 8 13.833 0.465 -7.797 1.00 45.14 H new ATOM 0 HE2 PHE A 8 12.556 3.959 -5.791 1.00 3.11 H new ATOM 0 HZ PHE A 8 13.624 1.765 -5.742 1.00 53.01 H new ATOM 127 N GLY A 9 10.593 0.710 -12.064 1.00 24.34 N ATOM 128 CA GLY A 9 11.092 -0.386 -12.878 1.00 3.44 C ATOM 129 C GLY A 9 9.939 -1.192 -13.478 1.00 30.33 C ATOM 130 O GLY A 9 9.893 -1.412 -14.687 1.00 44.42 O ATOM 0 H GLY A 9 9.683 0.543 -11.636 1.00 24.34 H new ATOM 0 HA2 GLY A 9 11.721 0.007 -13.677 1.00 3.44 H new ATOM 0 HA3 GLY A 9 11.719 -1.039 -12.271 1.00 3.44 H new ATOM 134 N LYS A 10 9.035 -1.612 -12.604 1.00 63.05 N ATOM 135 CA LYS A 10 7.885 -2.390 -13.033 1.00 1.30 C ATOM 136 C LYS A 10 6.991 -1.522 -13.921 1.00 35.23 C ATOM 137 O LYS A 10 6.680 -1.897 -15.050 1.00 60.23 O ATOM 138 CB LYS A 10 7.160 -2.985 -11.824 1.00 43.21 C ATOM 139 CG LYS A 10 8.143 -3.295 -10.694 1.00 24.44 C ATOM 140 CD LYS A 10 8.011 -2.280 -9.557 1.00 52.42 C ATOM 141 CE LYS A 10 6.674 -2.442 -8.830 1.00 5.20 C ATOM 142 NZ LYS A 10 6.674 -3.678 -8.016 1.00 71.14 N ATOM 0 H LYS A 10 9.076 -1.428 -11.602 1.00 63.05 H new ATOM 0 HA LYS A 10 8.203 -3.241 -13.635 1.00 1.30 H new ATOM 0 HB2 LYS A 10 6.402 -2.286 -11.470 1.00 43.21 H new ATOM 0 HB3 LYS A 10 6.640 -3.897 -12.119 1.00 43.21 H new ATOM 0 HG2 LYS A 10 7.959 -4.299 -10.313 1.00 24.44 H new ATOM 0 HG3 LYS A 10 9.162 -3.283 -11.080 1.00 24.44 H new ATOM 0 HD2 LYS A 10 8.831 -2.411 -8.851 1.00 52.42 H new ATOM 0 HD3 LYS A 10 8.092 -1.269 -9.956 1.00 52.42 H new ATOM 0 HE2 LYS A 10 6.494 -1.578 -8.190 1.00 5.20 H new ATOM 0 HE3 LYS A 10 5.861 -2.477 -9.555 1.00 5.20 H new ATOM 0 HZ1 LYS A 10 6.059 -3.548 -7.187 1.00 71.14 H new ATOM 0 HZ2 LYS A 10 6.320 -4.471 -8.589 1.00 71.14 H new ATOM 0 HZ3 LYS A 10 7.643 -3.885 -7.699 1.00 71.14 H new ATOM 155 N SER A 11 6.601 -0.379 -13.376 1.00 43.22 N ATOM 156 CA SER A 11 5.749 0.545 -14.105 1.00 14.14 C ATOM 157 C SER A 11 6.372 0.873 -15.463 1.00 5.24 C ATOM 158 O SER A 11 5.659 1.095 -16.440 1.00 45.20 O ATOM 159 CB SER A 11 5.516 1.828 -13.304 1.00 35.43 C ATOM 160 OG SER A 11 4.909 2.847 -14.093 1.00 55.11 O ATOM 0 H SER A 11 6.859 -0.072 -12.438 1.00 43.22 H new ATOM 0 HA SER A 11 4.783 0.066 -14.263 1.00 14.14 H new ATOM 0 HB2 SER A 11 4.882 1.609 -12.445 1.00 35.43 H new ATOM 0 HB3 SER A 11 6.467 2.190 -12.914 1.00 35.43 H new ATOM 0 HG SER A 11 4.776 3.649 -13.545 1.00 55.11 H new ATOM 166 N VAL A 12 7.697 0.894 -15.480 1.00 21.42 N ATOM 167 CA VAL A 12 8.425 1.191 -16.702 1.00 22.13 C ATOM 168 C VAL A 12 8.107 0.125 -17.752 1.00 70.11 C ATOM 169 O VAL A 12 8.027 0.425 -18.942 1.00 51.41 O ATOM 170 CB VAL A 12 9.921 1.309 -16.404 1.00 23.22 C ATOM 171 CG1 VAL A 12 10.753 1.051 -17.662 1.00 52.40 C ATOM 172 CG2 VAL A 12 10.253 2.673 -15.797 1.00 5.34 C ATOM 0 H VAL A 12 8.285 0.710 -14.667 1.00 21.42 H new ATOM 0 HA VAL A 12 8.111 2.152 -17.109 1.00 22.13 H new ATOM 0 HB VAL A 12 10.178 0.545 -15.671 1.00 23.22 H new ATOM 0 HG11 VAL A 12 11.812 1.141 -17.422 1.00 52.40 H new ATOM 0 HG12 VAL A 12 10.549 0.047 -18.033 1.00 52.40 H new ATOM 0 HG13 VAL A 12 10.491 1.781 -18.428 1.00 52.40 H new ATOM 0 HG21 VAL A 12 11.323 2.731 -15.595 1.00 5.34 H new ATOM 0 HG22 VAL A 12 9.973 3.460 -16.497 1.00 5.34 H new ATOM 0 HG23 VAL A 12 9.700 2.801 -14.866 1.00 5.34 H new ATOM 182 N ARG A 13 7.934 -1.098 -17.274 1.00 21.53 N ATOM 183 CA ARG A 13 7.626 -2.211 -18.157 1.00 4.24 C ATOM 184 C ARG A 13 6.226 -2.045 -18.751 1.00 21.34 C ATOM 185 O ARG A 13 5.980 -2.441 -19.889 1.00 43.52 O ATOM 186 CB ARG A 13 7.702 -3.544 -17.410 1.00 11.12 C ATOM 187 CG ARG A 13 8.905 -3.576 -16.465 1.00 40.21 C ATOM 188 CD ARG A 13 10.147 -2.989 -17.139 1.00 50.01 C ATOM 189 NE ARG A 13 10.269 -3.512 -18.518 1.00 41.32 N ATOM 190 CZ ARG A 13 11.437 -3.614 -19.188 1.00 74.22 C ATOM 191 NH1 ARG A 13 12.594 -3.230 -18.610 1.00 44.31 N ATOM 192 NH2 ARG A 13 11.429 -4.096 -20.417 1.00 41.22 N ATOM 0 H ARG A 13 8.001 -1.343 -16.286 1.00 21.53 H new ATOM 0 HA ARG A 13 8.366 -2.214 -18.958 1.00 4.24 H new ATOM 0 HB2 ARG A 13 6.785 -3.699 -16.842 1.00 11.12 H new ATOM 0 HB3 ARG A 13 7.776 -4.362 -18.126 1.00 11.12 H new ATOM 0 HG2 ARG A 13 8.677 -3.012 -15.561 1.00 40.21 H new ATOM 0 HG3 ARG A 13 9.104 -4.603 -16.159 1.00 40.21 H new ATOM 0 HD2 ARG A 13 10.081 -1.901 -17.158 1.00 50.01 H new ATOM 0 HD3 ARG A 13 11.038 -3.244 -16.564 1.00 50.01 H new ATOM 0 HE ARG A 13 9.418 -3.814 -18.992 1.00 41.32 H new ATOM 0 HH11 ARG A 13 12.591 -2.859 -17.660 1.00 44.31 H new ATOM 0 HH12 ARG A 13 13.472 -3.310 -19.123 1.00 44.31 H new ATOM 0 HH21 ARG A 13 10.550 -4.384 -20.846 1.00 41.22 H new ATOM 0 HH22 ARG A 13 12.302 -4.180 -20.938 1.00 41.22 H new ATOM 205 N HIS A 14 5.345 -1.461 -17.953 1.00 11.44 N ATOM 206 CA HIS A 14 3.976 -1.238 -18.385 1.00 73.12 C ATOM 207 C HIS A 14 3.931 -0.059 -19.360 1.00 35.52 C ATOM 208 O HIS A 14 3.249 -0.120 -20.382 1.00 60.20 O ATOM 209 CB HIS A 14 3.050 -1.048 -17.182 1.00 71.30 C ATOM 210 CG HIS A 14 1.898 -0.105 -17.436 1.00 3.10 C ATOM 211 ND1 HIS A 14 0.575 -0.507 -17.388 1.00 20.31 N ATOM 212 CD2 HIS A 14 1.886 1.225 -17.739 1.00 72.24 C ATOM 213 CE1 HIS A 14 -0.191 0.541 -17.653 1.00 63.11 C ATOM 214 NE2 HIS A 14 0.624 1.613 -17.871 1.00 55.31 N ATOM 0 H HIS A 14 5.553 -1.135 -17.009 1.00 11.44 H new ATOM 0 HA HIS A 14 3.611 -2.118 -18.915 1.00 73.12 H new ATOM 0 HB2 HIS A 14 2.653 -2.019 -16.885 1.00 71.30 H new ATOM 0 HB3 HIS A 14 3.635 -0.673 -16.342 1.00 71.30 H new ATOM 0 HD2 HIS A 14 2.756 1.855 -17.852 1.00 72.24 H new ATOM 0 HE1 HIS A 14 -1.270 0.546 -17.690 1.00 63.11 H new ATOM 0 HE2 HIS A 14 0.314 2.558 -18.098 1.00 55.31 H new ATOM 222 N VAL A 15 4.665 0.986 -19.009 1.00 24.52 N ATOM 223 CA VAL A 15 4.718 2.176 -19.840 1.00 10.53 C ATOM 224 C VAL A 15 5.443 1.849 -21.147 1.00 13.51 C ATOM 225 O VAL A 15 5.098 2.380 -22.202 1.00 35.14 O ATOM 226 CB VAL A 15 5.369 3.325 -19.067 1.00 14.53 C ATOM 227 CG1 VAL A 15 6.866 3.412 -19.370 1.00 54.13 C ATOM 228 CG2 VAL A 15 4.670 4.653 -19.367 1.00 43.24 C ATOM 0 H VAL A 15 5.228 1.033 -18.160 1.00 24.52 H new ATOM 0 HA VAL A 15 3.712 2.505 -20.100 1.00 10.53 H new ATOM 0 HB VAL A 15 5.255 3.119 -18.003 1.00 14.53 H new ATOM 0 HG11 VAL A 15 7.304 4.237 -18.808 1.00 54.13 H new ATOM 0 HG12 VAL A 15 7.350 2.479 -19.082 1.00 54.13 H new ATOM 0 HG13 VAL A 15 7.012 3.582 -20.437 1.00 54.13 H new ATOM 0 HG21 VAL A 15 5.152 5.453 -18.805 1.00 43.24 H new ATOM 0 HG22 VAL A 15 4.738 4.867 -20.434 1.00 43.24 H new ATOM 0 HG23 VAL A 15 3.622 4.586 -19.076 1.00 43.24 H new ATOM 238 N VAL A 16 6.434 0.978 -21.035 1.00 31.44 N ATOM 239 CA VAL A 16 7.210 0.574 -22.195 1.00 22.55 C ATOM 240 C VAL A 16 6.264 0.060 -23.282 1.00 45.32 C ATOM 241 O VAL A 16 6.423 0.394 -24.456 1.00 20.34 O ATOM 242 CB VAL A 16 8.265 -0.456 -21.785 1.00 64.13 C ATOM 243 CG1 VAL A 16 8.682 -1.318 -22.979 1.00 32.45 C ATOM 244 CG2 VAL A 16 9.479 0.225 -21.151 1.00 4.51 C ATOM 0 H VAL A 16 6.718 0.540 -20.158 1.00 31.44 H new ATOM 0 HA VAL A 16 7.749 1.426 -22.610 1.00 22.55 H new ATOM 0 HB VAL A 16 7.820 -1.112 -21.037 1.00 64.13 H new ATOM 0 HG11 VAL A 16 9.432 -2.042 -22.661 1.00 32.45 H new ATOM 0 HG12 VAL A 16 7.811 -1.846 -23.369 1.00 32.45 H new ATOM 0 HG13 VAL A 16 9.100 -0.681 -23.759 1.00 32.45 H new ATOM 0 HG21 VAL A 16 10.213 -0.530 -20.869 1.00 4.51 H new ATOM 0 HG22 VAL A 16 9.925 0.915 -21.868 1.00 4.51 H new ATOM 0 HG23 VAL A 16 9.165 0.776 -20.264 1.00 4.51 H new ATOM 254 N ASP A 17 5.301 -0.742 -22.854 1.00 24.43 N ATOM 255 CA ASP A 17 4.330 -1.305 -23.776 1.00 41.15 C ATOM 256 C ASP A 17 3.388 -0.199 -24.255 1.00 53.31 C ATOM 257 O ASP A 17 2.808 -0.297 -25.335 1.00 53.34 O ATOM 258 CB ASP A 17 3.485 -2.384 -23.097 1.00 24.14 C ATOM 259 CG ASP A 17 3.830 -3.821 -23.494 1.00 53.13 C ATOM 260 OD1 ASP A 17 4.765 -4.061 -24.272 1.00 74.55 O ATOM 261 OD2 ASP A 17 3.082 -4.728 -22.963 1.00 1.25 O ATOM 0 H ASP A 17 5.172 -1.016 -21.880 1.00 24.43 H new ATOM 0 HA ASP A 17 4.875 -1.747 -24.610 1.00 41.15 H new ATOM 0 HB2 ASP A 17 3.596 -2.285 -22.017 1.00 24.14 H new ATOM 0 HB3 ASP A 17 2.436 -2.201 -23.328 1.00 24.14 H new ATOM 267 N ALA A 18 3.264 0.829 -23.428 1.00 24.33 N ATOM 268 CA ALA A 18 2.402 1.952 -23.753 1.00 4.31 C ATOM 269 C ALA A 18 2.862 2.577 -25.071 1.00 43.54 C ATOM 270 O ALA A 18 2.039 2.987 -25.889 1.00 4.23 O ATOM 271 CB ALA A 18 2.413 2.955 -22.597 1.00 75.03 C ATOM 0 H ALA A 18 3.747 0.907 -22.533 1.00 24.33 H new ATOM 0 HA ALA A 18 1.373 1.620 -23.887 1.00 4.31 H new ATOM 0 HB1 ALA A 18 1.766 3.798 -22.840 1.00 75.03 H new ATOM 0 HB2 ALA A 18 2.051 2.470 -21.691 1.00 75.03 H new ATOM 0 HB3 ALA A 18 3.430 3.313 -22.435 1.00 75.03 H new ATOM 277 N ILE A 19 4.176 2.631 -25.238 1.00 13.15 N ATOM 278 CA ILE A 19 4.755 3.199 -26.443 1.00 0.52 C ATOM 279 C ILE A 19 4.143 2.517 -27.668 1.00 45.21 C ATOM 280 O ILE A 19 4.150 3.078 -28.763 1.00 33.21 O ATOM 281 CB ILE A 19 6.282 3.119 -26.392 1.00 41.45 C ATOM 282 CG1 ILE A 19 6.851 4.123 -25.388 1.00 10.15 C ATOM 283 CG2 ILE A 19 6.887 3.299 -27.786 1.00 72.45 C ATOM 284 CD1 ILE A 19 7.592 3.407 -24.257 1.00 33.35 C ATOM 0 H ILE A 19 4.856 2.290 -24.558 1.00 13.15 H new ATOM 0 HA ILE A 19 4.517 4.260 -26.517 1.00 0.52 H new ATOM 0 HB ILE A 19 6.560 2.124 -26.045 1.00 41.45 H new ATOM 0 HG12 ILE A 19 7.530 4.807 -25.897 1.00 10.15 H new ATOM 0 HG13 ILE A 19 6.043 4.726 -24.974 1.00 10.15 H new ATOM 0 HG21 ILE A 19 7.973 3.238 -27.722 1.00 72.45 H new ATOM 0 HG22 ILE A 19 6.518 2.515 -28.447 1.00 72.45 H new ATOM 0 HG23 ILE A 19 6.601 4.273 -28.184 1.00 72.45 H new ATOM 0 HD11 ILE A 19 7.987 4.144 -23.557 1.00 33.35 H new ATOM 0 HD12 ILE A 19 6.904 2.742 -23.735 1.00 33.35 H new ATOM 0 HD13 ILE A 19 8.414 2.824 -24.672 1.00 33.35 H new ATOM 296 N GLY A 20 3.630 1.317 -27.443 1.00 31.14 N ATOM 297 CA GLY A 20 3.016 0.552 -28.515 1.00 14.24 C ATOM 298 C GLY A 20 1.514 0.383 -28.277 1.00 14.43 C ATOM 299 O GLY A 20 0.764 0.088 -29.206 1.00 14.50 O ATOM 0 H GLY A 20 3.627 0.855 -26.534 1.00 31.14 H new ATOM 0 HA2 GLY A 20 3.183 1.055 -29.467 1.00 14.24 H new ATOM 0 HA3 GLY A 20 3.489 -0.427 -28.585 1.00 14.24 H new ATOM 303 N SER A 21 1.119 0.578 -27.027 1.00 23.32 N ATOM 304 CA SER A 21 -0.280 0.451 -26.655 1.00 64.41 C ATOM 305 C SER A 21 -1.041 1.721 -27.040 1.00 22.11 C ATOM 306 O SER A 21 -2.267 1.709 -27.138 1.00 22.41 O ATOM 307 CB SER A 21 -0.429 0.176 -25.157 1.00 63.34 C ATOM 308 OG SER A 21 -1.445 -0.786 -24.890 1.00 32.52 O ATOM 0 H SER A 21 1.744 0.823 -26.259 1.00 23.32 H new ATOM 0 HA SER A 21 -0.702 -0.396 -27.196 1.00 64.41 H new ATOM 0 HB2 SER A 21 0.521 -0.179 -24.757 1.00 63.34 H new ATOM 0 HB3 SER A 21 -0.665 1.106 -24.639 1.00 63.34 H new ATOM 0 HG SER A 21 -1.508 -0.935 -23.924 1.00 32.52 H new ATOM 314 N VAL A 22 -0.282 2.787 -27.248 1.00 30.15 N ATOM 315 CA VAL A 22 -0.870 4.063 -27.619 1.00 64.25 C ATOM 316 C VAL A 22 -1.682 3.890 -28.904 1.00 71.03 C ATOM 317 O VAL A 22 -2.734 4.507 -29.066 1.00 3.32 O ATOM 318 CB VAL A 22 0.223 5.126 -27.742 1.00 4.52 C ATOM 319 CG1 VAL A 22 1.435 4.582 -28.501 1.00 4.45 C ATOM 320 CG2 VAL A 22 -0.317 6.394 -28.408 1.00 21.43 C ATOM 0 H VAL A 22 0.735 2.793 -27.167 1.00 30.15 H new ATOM 0 HA VAL A 22 -1.555 4.408 -26.845 1.00 64.25 H new ATOM 0 HB VAL A 22 0.549 5.389 -26.735 1.00 4.52 H new ATOM 0 HG11 VAL A 22 2.197 5.358 -28.574 1.00 4.45 H new ATOM 0 HG12 VAL A 22 1.842 3.723 -27.968 1.00 4.45 H new ATOM 0 HG13 VAL A 22 1.130 4.277 -29.502 1.00 4.45 H new ATOM 0 HG21 VAL A 22 0.480 7.133 -28.483 1.00 21.43 H new ATOM 0 HG22 VAL A 22 -0.684 6.153 -29.406 1.00 21.43 H new ATOM 0 HG23 VAL A 22 -1.133 6.800 -27.810 1.00 21.43 H new ATOM 330 N ALA A 23 -1.164 3.047 -29.786 1.00 4.44 N ATOM 331 CA ALA A 23 -1.828 2.786 -31.051 1.00 62.42 C ATOM 332 C ALA A 23 -3.084 1.949 -30.799 1.00 41.25 C ATOM 333 O ALA A 23 -3.958 1.861 -31.660 1.00 54.41 O ATOM 334 CB ALA A 23 -0.851 2.098 -32.008 1.00 34.04 C ATOM 0 H ALA A 23 -0.292 2.536 -29.649 1.00 4.44 H new ATOM 0 HA ALA A 23 -2.142 3.719 -31.520 1.00 62.42 H new ATOM 0 HB1 ALA A 23 -1.349 1.902 -32.958 1.00 34.04 H new ATOM 0 HB2 ALA A 23 0.010 2.745 -32.177 1.00 34.04 H new ATOM 0 HB3 ALA A 23 -0.517 1.156 -31.572 1.00 34.04 H new ATOM 340 N GLY A 24 -3.134 1.356 -29.616 1.00 24.21 N ATOM 341 CA GLY A 24 -4.268 0.529 -29.240 1.00 52.40 C ATOM 342 C GLY A 24 -5.021 1.137 -28.055 1.00 4.45 C ATOM 343 O GLY A 24 -5.804 0.455 -27.396 1.00 25.13 O ATOM 0 H GLY A 24 -2.407 1.432 -28.904 1.00 24.21 H new ATOM 0 HA2 GLY A 24 -4.943 0.424 -30.089 1.00 52.40 H new ATOM 0 HA3 GLY A 24 -3.923 -0.472 -28.981 1.00 52.40 H new ATOM 347 N ILE A 25 -4.757 2.414 -27.819 1.00 44.22 N ATOM 348 CA ILE A 25 -5.399 3.122 -26.725 1.00 21.24 C ATOM 349 C ILE A 25 -5.670 4.567 -27.147 1.00 1.23 C ATOM 350 O ILE A 25 -6.812 5.024 -27.113 1.00 65.10 O ATOM 351 CB ILE A 25 -4.567 3.000 -25.446 1.00 41.14 C ATOM 352 CG1 ILE A 25 -4.799 1.649 -24.767 1.00 75.13 C ATOM 353 CG2 ILE A 25 -4.840 4.171 -24.501 1.00 11.53 C ATOM 354 CD1 ILE A 25 -3.555 0.764 -24.867 1.00 33.12 C ATOM 0 H ILE A 25 -4.107 2.977 -28.367 1.00 44.22 H new ATOM 0 HA ILE A 25 -6.364 2.671 -26.494 1.00 21.24 H new ATOM 0 HB ILE A 25 -3.513 3.046 -25.719 1.00 41.14 H new ATOM 0 HG12 ILE A 25 -5.056 1.804 -23.719 1.00 75.13 H new ATOM 0 HG13 ILE A 25 -5.646 1.145 -25.232 1.00 75.13 H new ATOM 0 HG21 ILE A 25 -4.236 4.060 -23.600 1.00 11.53 H new ATOM 0 HG22 ILE A 25 -4.583 5.107 -24.997 1.00 11.53 H new ATOM 0 HG23 ILE A 25 -5.896 4.182 -24.231 1.00 11.53 H new ATOM 0 HD11 ILE A 25 -3.747 -0.190 -24.376 1.00 33.12 H new ATOM 0 HD12 ILE A 25 -3.315 0.591 -25.916 1.00 33.12 H new ATOM 0 HD13 ILE A 25 -2.716 1.260 -24.380 1.00 33.12 H new ATOM 366 N ARG A 26 -4.601 5.247 -27.535 1.00 1.15 N ATOM 367 CA ARG A 26 -4.709 6.631 -27.963 1.00 10.42 C ATOM 368 C ARG A 26 -5.422 6.715 -29.314 1.00 31.11 C ATOM 369 O ARG A 26 -6.215 7.626 -29.546 1.00 43.41 O ATOM 370 CB ARG A 26 -3.329 7.281 -28.081 1.00 63.44 C ATOM 371 CG ARG A 26 -3.438 8.704 -28.632 1.00 2.03 C ATOM 372 CD ARG A 26 -3.190 8.729 -30.141 1.00 62.34 C ATOM 373 NE ARG A 26 -4.293 9.441 -30.824 1.00 32.31 N ATOM 374 CZ ARG A 26 -4.501 10.772 -30.740 1.00 73.11 C ATOM 375 NH1 ARG A 26 -3.681 11.548 -30.001 1.00 11.43 N ATOM 376 NH2 ARG A 26 -5.519 11.303 -31.392 1.00 30.12 N ATOM 0 H ARG A 26 -3.656 4.865 -27.562 1.00 1.15 H new ATOM 0 HA ARG A 26 -5.287 7.166 -27.210 1.00 10.42 H new ATOM 0 HB2 ARG A 26 -2.848 7.302 -27.103 1.00 63.44 H new ATOM 0 HB3 ARG A 26 -2.696 6.682 -28.735 1.00 63.44 H new ATOM 0 HG2 ARG A 26 -4.428 9.106 -28.416 1.00 2.03 H new ATOM 0 HG3 ARG A 26 -2.716 9.348 -28.131 1.00 2.03 H new ATOM 0 HD2 ARG A 26 -2.241 9.222 -30.354 1.00 62.34 H new ATOM 0 HD3 ARG A 26 -3.113 7.711 -30.522 1.00 62.34 H new ATOM 0 HE ARG A 26 -4.936 8.892 -31.394 1.00 32.31 H new ATOM 0 HH11 ARG A 26 -2.897 11.130 -29.501 1.00 11.43 H new ATOM 0 HH12 ARG A 26 -3.845 12.553 -29.943 1.00 11.43 H new ATOM 0 HH21 ARG A 26 -6.134 10.709 -31.948 1.00 30.12 H new ATOM 0 HH22 ARG A 26 -5.690 12.307 -31.339 1.00 30.12 H new ATOM 389 N GLY A 27 -5.115 5.751 -30.170 1.00 2.32 N ATOM 390 CA GLY A 27 -5.716 5.704 -31.492 1.00 15.54 C ATOM 391 C GLY A 27 -7.207 5.372 -31.404 1.00 33.40 C ATOM 392 O GLY A 27 -8.021 5.961 -32.113 1.00 53.10 O ATOM 0 H GLY A 27 -4.458 4.996 -29.973 1.00 2.32 H new ATOM 0 HA2 GLY A 27 -5.582 6.664 -31.991 1.00 15.54 H new ATOM 0 HA3 GLY A 27 -5.208 4.955 -32.100 1.00 15.54 H new ATOM 396 N ILE A 28 -7.520 4.428 -30.528 1.00 63.00 N ATOM 397 CA ILE A 28 -8.898 4.010 -30.339 1.00 33.45 C ATOM 398 C ILE A 28 -9.628 5.046 -29.482 1.00 12.20 C ATOM 399 O ILE A 28 -10.857 5.073 -29.447 1.00 34.15 O ATOM 400 CB ILE A 28 -8.954 2.591 -29.768 1.00 11.12 C ATOM 401 CG1 ILE A 28 -8.901 2.613 -28.239 1.00 32.22 C ATOM 402 CG2 ILE A 28 -7.852 1.715 -30.367 1.00 41.32 C ATOM 403 CD1 ILE A 28 -10.285 2.358 -27.639 1.00 14.43 C ATOM 0 H ILE A 28 -6.842 3.941 -29.941 1.00 63.00 H new ATOM 0 HA ILE A 28 -9.417 3.965 -31.297 1.00 33.45 H new ATOM 0 HB ILE A 28 -9.908 2.146 -30.051 1.00 11.12 H new ATOM 0 HG12 ILE A 28 -8.202 1.855 -27.885 1.00 32.22 H new ATOM 0 HG13 ILE A 28 -8.525 3.578 -27.898 1.00 32.22 H new ATOM 0 HG21 ILE A 28 -7.914 0.712 -29.944 1.00 41.32 H new ATOM 0 HG22 ILE A 28 -7.977 1.661 -31.448 1.00 41.32 H new ATOM 0 HG23 ILE A 28 -6.878 2.146 -30.135 1.00 41.32 H new ATOM 0 HD11 ILE A 28 -10.219 2.379 -26.551 1.00 14.43 H new ATOM 0 HD12 ILE A 28 -10.976 3.131 -27.976 1.00 14.43 H new ATOM 0 HD13 ILE A 28 -10.647 1.382 -27.962 1.00 14.43 H new ATOM 415 N LEU A 29 -8.840 5.875 -28.813 1.00 20.43 N ATOM 416 CA LEU A 29 -9.396 6.910 -27.959 1.00 2.53 C ATOM 417 C LEU A 29 -10.256 7.854 -28.802 1.00 70.42 C ATOM 418 O LEU A 29 -11.231 8.418 -28.309 1.00 11.32 O ATOM 419 CB LEU A 29 -8.284 7.620 -27.184 1.00 45.20 C ATOM 420 CG LEU A 29 -8.416 7.609 -25.660 1.00 4.33 C ATOM 421 CD1 LEU A 29 -8.161 6.210 -25.097 1.00 70.53 C ATOM 422 CD2 LEU A 29 -7.502 8.658 -25.023 1.00 24.03 C ATOM 0 H LEU A 29 -7.821 5.851 -28.845 1.00 20.43 H new ATOM 0 HA LEU A 29 -10.049 6.471 -27.205 1.00 2.53 H new ATOM 0 HB2 LEU A 29 -7.332 7.160 -27.450 1.00 45.20 H new ATOM 0 HB3 LEU A 29 -8.241 8.657 -27.518 1.00 45.20 H new ATOM 0 HG LEU A 29 -9.441 7.877 -25.405 1.00 4.33 H new ATOM 0 HD11 LEU A 29 -8.261 6.231 -24.012 1.00 70.53 H new ATOM 0 HD12 LEU A 29 -8.886 5.512 -25.515 1.00 70.53 H new ATOM 0 HD13 LEU A 29 -7.154 5.889 -25.362 1.00 70.53 H new ATOM 0 HD21 LEU A 29 -7.615 8.629 -23.939 1.00 24.03 H new ATOM 0 HD22 LEU A 29 -6.466 8.445 -25.285 1.00 24.03 H new ATOM 0 HD23 LEU A 29 -7.773 9.648 -25.390 1.00 24.03 H new ATOM 434 N LYS A 30 -9.864 7.995 -30.060 1.00 21.12 N ATOM 435 CA LYS A 30 -10.587 8.860 -30.977 1.00 21.25 C ATOM 436 C LYS A 30 -11.981 8.280 -31.226 1.00 64.11 C ATOM 437 O LYS A 30 -12.839 8.944 -31.804 1.00 41.45 O ATOM 438 CB LYS A 30 -9.776 9.083 -32.255 1.00 0.45 C ATOM 439 CG LYS A 30 -9.717 7.807 -33.097 1.00 3.25 C ATOM 440 CD LYS A 30 -10.719 7.865 -34.251 1.00 45.34 C ATOM 441 CE LYS A 30 -10.008 8.124 -35.581 1.00 63.34 C ATOM 442 NZ LYS A 30 -10.853 8.954 -36.468 1.00 71.12 N ATOM 0 H LYS A 30 -9.055 7.525 -30.466 1.00 21.12 H new ATOM 0 HA LYS A 30 -10.726 9.848 -30.539 1.00 21.25 H new ATOM 0 HB2 LYS A 30 -10.224 9.887 -32.838 1.00 0.45 H new ATOM 0 HB3 LYS A 30 -8.765 9.400 -31.998 1.00 0.45 H new ATOM 0 HG2 LYS A 30 -8.710 7.674 -33.492 1.00 3.25 H new ATOM 0 HG3 LYS A 30 -9.930 6.942 -32.469 1.00 3.25 H new ATOM 0 HD2 LYS A 30 -11.271 6.927 -34.306 1.00 45.34 H new ATOM 0 HD3 LYS A 30 -11.449 8.653 -34.065 1.00 45.34 H new ATOM 0 HE2 LYS A 30 -9.058 8.626 -35.400 1.00 63.34 H new ATOM 0 HE3 LYS A 30 -9.780 7.176 -36.069 1.00 63.34 H new ATOM 0 HZ1 LYS A 30 -10.355 9.120 -37.366 1.00 71.12 H new ATOM 0 HZ2 LYS A 30 -11.749 8.461 -36.655 1.00 71.12 H new ATOM 0 HZ3 LYS A 30 -11.049 9.866 -36.007 1.00 71.12 H new ATOM 455 N SER A 31 -12.162 7.047 -30.777 1.00 73.44 N ATOM 456 CA SER A 31 -13.437 6.370 -30.945 1.00 31.42 C ATOM 457 C SER A 31 -14.249 6.456 -29.651 1.00 55.31 C ATOM 458 O SER A 31 -15.442 6.156 -29.642 1.00 13.34 O ATOM 459 CB SER A 31 -13.235 4.908 -31.348 1.00 35.52 C ATOM 460 OG SER A 31 -13.958 4.016 -30.503 1.00 14.30 O ATOM 0 H SER A 31 -11.448 6.499 -30.297 1.00 73.44 H new ATOM 0 HA SER A 31 -13.986 6.867 -31.745 1.00 31.42 H new ATOM 0 HB2 SER A 31 -13.556 4.769 -32.380 1.00 35.52 H new ATOM 0 HB3 SER A 31 -12.173 4.664 -31.308 1.00 35.52 H new ATOM 0 HG SER A 31 -13.804 3.093 -30.794 1.00 14.30 H new ATOM 466 N ILE A 32 -13.571 6.868 -28.590 1.00 42.24 N ATOM 467 CA ILE A 32 -14.215 6.998 -27.294 1.00 45.22 C ATOM 468 C ILE A 32 -14.542 8.471 -27.038 1.00 32.41 C ATOM 469 O ILE A 32 -15.539 8.784 -26.389 1.00 3.54 O ATOM 470 CB ILE A 32 -13.353 6.361 -26.202 1.00 75.40 C ATOM 471 CG1 ILE A 32 -12.472 5.250 -26.777 1.00 71.01 C ATOM 472 CG2 ILE A 32 -14.219 5.863 -25.042 1.00 43.23 C ATOM 473 CD1 ILE A 32 -11.588 4.634 -25.691 1.00 42.11 C ATOM 0 H ILE A 32 -12.582 7.116 -28.601 1.00 42.24 H new ATOM 0 HA ILE A 32 -15.159 6.454 -27.281 1.00 45.22 H new ATOM 0 HB ILE A 32 -12.687 7.126 -25.803 1.00 75.40 H new ATOM 0 HG12 ILE A 32 -13.099 4.477 -27.222 1.00 71.01 H new ATOM 0 HG13 ILE A 32 -11.847 5.652 -27.575 1.00 71.01 H new ATOM 0 HG21 ILE A 32 -13.583 5.415 -24.279 1.00 43.23 H new ATOM 0 HG22 ILE A 32 -14.767 6.701 -24.611 1.00 43.23 H new ATOM 0 HG23 ILE A 32 -14.925 5.118 -25.409 1.00 43.23 H new ATOM 0 HD11 ILE A 32 -10.972 3.847 -26.126 1.00 42.11 H new ATOM 0 HD12 ILE A 32 -10.945 5.404 -25.265 1.00 42.11 H new ATOM 0 HD13 ILE A 32 -12.216 4.211 -24.907 1.00 42.11 H new ATOM 485 N ARG A 33 -13.685 9.334 -27.561 1.00 43.42 N ATOM 486 CA ARG A 33 -13.871 10.766 -27.397 1.00 44.21 C ATOM 487 C ARG A 33 -14.553 11.063 -26.060 1.00 42.12 C ATOM 488 O ARG A 33 -14.020 10.735 -25.001 1.00 73.21 O ATOM 489 CB ARG A 33 -14.716 11.345 -28.533 1.00 51.50 C ATOM 490 CG ARG A 33 -16.013 10.553 -28.711 1.00 22.14 C ATOM 491 CD ARG A 33 -15.796 9.343 -29.622 1.00 44.53 C ATOM 492 NE ARG A 33 -16.129 9.697 -31.020 1.00 51.11 N ATOM 493 CZ ARG A 33 -16.536 8.807 -31.950 1.00 21.43 C ATOM 494 NH1 ARG A 33 -16.663 7.500 -31.637 1.00 32.41 N ATOM 495 NH2 ARG A 33 -16.807 9.233 -33.169 1.00 52.21 N ATOM 0 H ARG A 33 -12.860 9.070 -28.099 1.00 43.42 H new ATOM 0 HA ARG A 33 -12.886 11.233 -27.418 1.00 44.21 H new ATOM 0 HB2 ARG A 33 -14.949 12.389 -28.322 1.00 51.50 H new ATOM 0 HB3 ARG A 33 -14.145 11.327 -29.461 1.00 51.50 H new ATOM 0 HG2 ARG A 33 -16.376 10.220 -27.739 1.00 22.14 H new ATOM 0 HG3 ARG A 33 -16.782 11.199 -29.135 1.00 22.14 H new ATOM 0 HD2 ARG A 33 -14.760 9.011 -29.559 1.00 44.53 H new ATOM 0 HD3 ARG A 33 -16.418 8.511 -29.291 1.00 44.53 H new ATOM 0 HE ARG A 33 -16.046 10.675 -31.298 1.00 51.11 H new ATOM 0 HH11 ARG A 33 -16.451 7.179 -30.692 1.00 32.41 H new ATOM 0 HH12 ARG A 33 -16.971 6.834 -32.345 1.00 32.41 H new ATOM 0 HH21 ARG A 33 -16.708 10.222 -33.397 1.00 52.21 H new ATOM 0 HH22 ARG A 33 -17.116 8.573 -33.883 1.00 52.21 H new TER 508 ARG A 33