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+ -139:sc= 0.859 (180deg=0.202) USER MOD Single : A 2 ASN :FLIP amide:sc= -2.2 F(o=-3.6!,f=-2.2) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc= -1.07 X(o=-1.1,f=-0.58) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 14 HIS :FLIP no HD1:sc= -0.598 F(o=-2!,f=-0.6) USER MOD Single : A 21 SER OG : rot 180:sc= -1.13 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= -0.352 USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 1.987 -1.566 0.611 1.00 35.45 N ATOM 2 CA PHE A 1 2.259 -1.094 -0.735 1.00 55.14 C ATOM 3 C PHE A 1 3.060 -2.129 -1.528 1.00 55.43 C ATOM 4 O PHE A 1 3.296 -3.236 -1.049 1.00 34.43 O ATOM 5 CB PHE A 1 3.090 0.184 -0.602 1.00 34.32 C ATOM 6 CG PHE A 1 4.363 0.014 0.230 1.00 73.33 C ATOM 7 CD1 PHE A 1 5.472 -0.538 -0.331 1.00 22.24 C ATOM 8 CD2 PHE A 1 4.385 0.414 1.529 1.00 13.41 C ATOM 9 CE1 PHE A 1 6.654 -0.696 0.441 1.00 13.00 C ATOM 10 CE2 PHE A 1 5.566 0.257 2.301 1.00 63.41 C ATOM 11 CZ PHE A 1 6.676 -0.295 1.741 1.00 72.35 C ATOM 0 H1 PHE A 1 1.012 -1.318 0.876 1.00 35.45 H new ATOM 0 H2 PHE A 1 2.103 -2.599 0.647 1.00 35.45 H new ATOM 0 H3 PHE A 1 2.650 -1.120 1.276 1.00 35.45 H new ATOM 0 HA PHE A 1 1.322 -0.917 -1.263 1.00 55.14 H new ATOM 0 HB2 PHE A 1 3.363 0.533 -1.598 1.00 34.32 H new ATOM 0 HB3 PHE A 1 2.473 0.961 -0.150 1.00 34.32 H new ATOM 0 HD1 PHE A 1 5.454 -0.856 -1.363 1.00 22.24 H new ATOM 0 HD2 PHE A 1 3.504 0.851 1.974 1.00 13.41 H new ATOM 0 HE1 PHE A 1 7.535 -1.134 -0.004 1.00 13.00 H new ATOM 0 HE2 PHE A 1 5.583 0.576 3.333 1.00 63.41 H new ATOM 0 HZ PHE A 1 7.575 -0.415 2.328 1.00 72.35 H new ATOM 21 N ASN A 2 3.455 -1.731 -2.728 1.00 44.53 N ATOM 22 CA ASN A 2 4.225 -2.610 -3.592 1.00 51.43 C ATOM 23 C ASN A 2 5.291 -1.792 -4.325 1.00 74.22 C ATOM 24 O ASN A 2 6.467 -2.153 -4.321 1.00 14.23 O ATOM 25 CB ASN A 2 3.330 -3.270 -4.643 1.00 65.30 C ATOM 26 CG ASN A 2 2.450 -2.234 -5.344 1.00 44.41 C ATOM 27 OD1 ASN A 2 1.564 -1.647 -4.545 1.00 61.04 O flip ATOM 28 ND2 ASN A 2 2.568 -1.983 -6.532 1.00 2.14 N flip ATOM 0 H ASN A 2 3.256 -0.812 -3.123 1.00 44.53 H new ATOM 0 HA ASN A 2 4.680 -3.381 -2.970 1.00 51.43 H new ATOM 0 HB2 ASN A 2 3.947 -3.786 -5.379 1.00 65.30 H new ATOM 0 HB3 ASN A 2 2.702 -4.024 -4.169 1.00 65.30 H new ATOM 0 HD21 ASN A 2 3.270 -2.471 -7.089 1.00 2.14 H new ATOM 0 HD22 ASN A 2 1.965 -1.285 -6.968 1.00 2.14 H new ATOM 35 N ARG A 3 4.841 -0.707 -4.937 1.00 51.33 N ATOM 36 CA ARG A 3 5.741 0.165 -5.673 1.00 62.21 C ATOM 37 C ARG A 3 6.748 0.814 -4.721 1.00 33.11 C ATOM 38 O ARG A 3 7.783 1.316 -5.155 1.00 3.22 O ATOM 39 CB ARG A 3 4.968 1.260 -6.410 1.00 73.23 C ATOM 40 CG ARG A 3 4.521 2.360 -5.445 1.00 71.13 C ATOM 41 CD ARG A 3 3.080 2.789 -5.732 1.00 24.21 C ATOM 42 NE ARG A 3 2.887 2.972 -7.188 1.00 0.13 N ATOM 43 CZ ARG A 3 1.887 3.697 -7.733 1.00 61.20 C ATOM 44 NH1 ARG A 3 0.980 4.313 -6.946 1.00 52.52 N ATOM 45 NH2 ARG A 3 1.810 3.793 -9.047 1.00 53.42 N ATOM 0 H ARG A 3 3.865 -0.411 -4.939 1.00 51.33 H new ATOM 0 HA ARG A 3 6.269 -0.446 -6.405 1.00 62.21 H new ATOM 0 HB2 ARG A 3 5.595 1.690 -7.191 1.00 73.23 H new ATOM 0 HB3 ARG A 3 4.097 0.827 -6.902 1.00 73.23 H new ATOM 0 HG2 ARG A 3 4.600 2.002 -4.418 1.00 71.13 H new ATOM 0 HG3 ARG A 3 5.185 3.220 -5.535 1.00 71.13 H new ATOM 0 HD2 ARG A 3 2.386 2.037 -5.357 1.00 24.21 H new ATOM 0 HD3 ARG A 3 2.857 3.718 -5.208 1.00 24.21 H new ATOM 0 HE ARG A 3 3.551 2.522 -7.819 1.00 0.13 H new ATOM 0 HH11 ARG A 3 1.047 4.233 -5.931 1.00 52.52 H new ATOM 0 HH12 ARG A 3 0.228 4.859 -7.366 1.00 52.52 H new ATOM 0 HH21 ARG A 3 2.500 3.323 -9.634 1.00 53.42 H new ATOM 0 HH22 ARG A 3 1.061 4.337 -9.476 1.00 53.42 H new ATOM 58 N GLY A 4 6.408 0.782 -3.441 1.00 1.44 N ATOM 59 CA GLY A 4 7.269 1.361 -2.423 1.00 42.55 C ATOM 60 C GLY A 4 6.962 2.847 -2.226 1.00 13.24 C ATOM 61 O GLY A 4 6.908 3.328 -1.095 1.00 12.41 O ATOM 0 H GLY A 4 5.548 0.364 -3.085 1.00 1.44 H new ATOM 0 HA2 GLY A 4 7.133 0.830 -1.481 1.00 42.55 H new ATOM 0 HA3 GLY A 4 8.313 1.237 -2.711 1.00 42.55 H new ATOM 65 N GLY A 5 6.768 3.533 -3.343 1.00 22.51 N ATOM 66 CA GLY A 5 6.468 4.954 -3.307 1.00 34.35 C ATOM 67 C GLY A 5 7.598 5.770 -3.938 1.00 34.54 C ATOM 68 O GLY A 5 7.663 6.985 -3.762 1.00 42.22 O ATOM 0 H GLY A 5 6.813 3.130 -4.279 1.00 22.51 H new ATOM 0 HA2 GLY A 5 5.536 5.146 -3.838 1.00 34.35 H new ATOM 0 HA3 GLY A 5 6.318 5.271 -2.275 1.00 34.35 H new ATOM 72 N TYR A 6 8.459 5.068 -4.659 1.00 63.12 N ATOM 73 CA TYR A 6 9.583 5.712 -5.317 1.00 63.13 C ATOM 74 C TYR A 6 10.107 4.855 -6.472 1.00 3.04 C ATOM 75 O TYR A 6 11.309 4.825 -6.732 1.00 2.35 O ATOM 76 CB TYR A 6 10.677 5.839 -4.255 1.00 42.53 C ATOM 77 CG TYR A 6 11.541 4.586 -4.098 1.00 12.52 C ATOM 78 CD1 TYR A 6 10.947 3.365 -3.851 1.00 53.31 C ATOM 79 CD2 TYR A 6 12.914 4.677 -4.203 1.00 11.14 C ATOM 80 CE1 TYR A 6 11.760 2.186 -3.703 1.00 35.01 C ATOM 81 CE2 TYR A 6 13.727 3.498 -4.054 1.00 73.34 C ATOM 82 CZ TYR A 6 13.109 2.310 -3.812 1.00 4.40 C ATOM 83 OH TYR A 6 13.877 1.197 -3.672 1.00 61.50 O ATOM 0 H TYR A 6 8.401 4.060 -4.802 1.00 63.12 H new ATOM 0 HA TYR A 6 9.286 6.677 -5.728 1.00 63.13 H new ATOM 0 HB2 TYR A 6 11.320 6.682 -4.510 1.00 42.53 H new ATOM 0 HB3 TYR A 6 10.213 6.070 -3.296 1.00 42.53 H new ATOM 0 HD1 TYR A 6 9.872 3.294 -3.769 1.00 53.31 H new ATOM 0 HD2 TYR A 6 13.379 5.632 -4.397 1.00 11.14 H new ATOM 0 HE1 TYR A 6 11.308 1.224 -3.510 1.00 35.01 H new ATOM 0 HE2 TYR A 6 14.803 3.555 -4.133 1.00 73.34 H new ATOM 0 HH TYR A 6 14.822 1.436 -3.775 1.00 61.50 H new ATOM 93 N ASN A 7 9.179 4.179 -7.133 1.00 45.01 N ATOM 94 CA ASN A 7 9.533 3.324 -8.253 1.00 73.25 C ATOM 95 C ASN A 7 10.179 4.171 -9.352 1.00 22.53 C ATOM 96 O ASN A 7 9.941 5.374 -9.433 1.00 41.54 O ATOM 97 CB ASN A 7 8.293 2.650 -8.844 1.00 53.03 C ATOM 98 CG ASN A 7 7.213 3.682 -9.174 1.00 55.12 C ATOM 99 OD1 ASN A 7 6.354 4.000 -8.368 1.00 3.25 O ATOM 100 ND2 ASN A 7 7.302 4.186 -10.402 1.00 23.31 N ATOM 0 H ASN A 7 8.183 4.206 -6.915 1.00 45.01 H new ATOM 0 HA ASN A 7 10.221 2.560 -7.890 1.00 73.25 H new ATOM 0 HB2 ASN A 7 8.567 2.104 -9.747 1.00 53.03 H new ATOM 0 HB3 ASN A 7 7.900 1.920 -8.137 1.00 53.03 H new ATOM 0 HD21 ASN A 7 6.626 4.882 -10.718 1.00 23.31 H new ATOM 0 HD22 ASN A 7 8.046 3.877 -11.028 1.00 23.31 H new ATOM 107 N PHE A 8 10.985 3.508 -10.169 1.00 35.44 N ATOM 108 CA PHE A 8 11.667 4.184 -11.258 1.00 42.24 C ATOM 109 C PHE A 8 12.308 3.176 -12.214 1.00 71.23 C ATOM 110 O PHE A 8 13.326 3.468 -12.840 1.00 11.23 O ATOM 111 CB PHE A 8 12.766 5.045 -10.632 1.00 63.30 C ATOM 112 CG PHE A 8 13.768 4.256 -9.786 1.00 33.12 C ATOM 113 CD1 PHE A 8 13.357 3.638 -8.646 1.00 73.11 C ATOM 114 CD2 PHE A 8 15.069 4.173 -10.173 1.00 74.22 C ATOM 115 CE1 PHE A 8 14.286 2.906 -7.861 1.00 20.13 C ATOM 116 CE2 PHE A 8 15.998 3.441 -9.388 1.00 20.13 C ATOM 117 CZ PHE A 8 15.587 2.823 -8.248 1.00 60.10 C ATOM 0 H PHE A 8 11.180 2.509 -10.098 1.00 35.44 H new ATOM 0 HA PHE A 8 10.956 4.782 -11.827 1.00 42.24 H new ATOM 0 HB2 PHE A 8 13.304 5.563 -11.426 1.00 63.30 H new ATOM 0 HB3 PHE A 8 12.303 5.810 -10.009 1.00 63.30 H new ATOM 0 HD1 PHE A 8 12.324 3.704 -8.338 1.00 73.11 H new ATOM 0 HD2 PHE A 8 15.396 4.664 -11.078 1.00 74.22 H new ATOM 0 HE1 PHE A 8 13.959 2.415 -6.956 1.00 20.13 H new ATOM 0 HE2 PHE A 8 17.031 3.375 -9.696 1.00 20.13 H new ATOM 0 HZ PHE A 8 16.294 2.267 -7.650 1.00 60.10 H new ATOM 127 N GLY A 9 11.685 2.009 -12.297 1.00 42.33 N ATOM 128 CA GLY A 9 12.182 0.956 -13.166 1.00 52.04 C ATOM 129 C GLY A 9 11.074 -0.043 -13.505 1.00 71.40 C ATOM 130 O GLY A 9 10.872 -0.380 -14.671 1.00 31.23 O ATOM 0 H GLY A 9 10.841 1.770 -11.777 1.00 42.33 H new ATOM 0 HA2 GLY A 9 12.576 1.393 -14.084 1.00 52.04 H new ATOM 0 HA3 GLY A 9 13.008 0.437 -12.679 1.00 52.04 H new ATOM 134 N LYS A 10 10.385 -0.490 -12.465 1.00 2.51 N ATOM 135 CA LYS A 10 9.303 -1.444 -12.637 1.00 51.35 C ATOM 136 C LYS A 10 8.162 -0.780 -13.411 1.00 11.43 C ATOM 137 O LYS A 10 7.740 -1.279 -14.453 1.00 21.24 O ATOM 138 CB LYS A 10 8.876 -2.020 -11.286 1.00 22.10 C ATOM 139 CG LYS A 10 10.072 -2.140 -10.339 1.00 11.32 C ATOM 140 CD LYS A 10 9.953 -1.150 -9.178 1.00 34.54 C ATOM 141 CE LYS A 10 11.215 -0.295 -9.055 1.00 12.43 C ATOM 142 NZ LYS A 10 12.083 -0.804 -7.970 1.00 30.32 N ATOM 0 H LYS A 10 10.556 -0.209 -11.500 1.00 2.51 H new ATOM 0 HA LYS A 10 9.637 -2.296 -13.229 1.00 51.35 H new ATOM 0 HB2 LYS A 10 8.115 -1.381 -10.838 1.00 22.10 H new ATOM 0 HB3 LYS A 10 8.423 -3.001 -11.431 1.00 22.10 H new ATOM 0 HG2 LYS A 10 10.132 -3.157 -9.950 1.00 11.32 H new ATOM 0 HG3 LYS A 10 10.995 -1.953 -10.888 1.00 11.32 H new ATOM 0 HD2 LYS A 10 9.087 -0.506 -9.332 1.00 34.54 H new ATOM 0 HD3 LYS A 10 9.785 -1.693 -8.248 1.00 34.54 H new ATOM 0 HE2 LYS A 10 11.760 -0.303 -9.999 1.00 12.43 H new ATOM 0 HE3 LYS A 10 10.941 0.741 -8.854 1.00 12.43 H new ATOM 0 HZ1 LYS A 10 12.935 -0.212 -7.900 1.00 30.32 H new ATOM 0 HZ2 LYS A 10 11.566 -0.773 -7.068 1.00 30.32 H new ATOM 0 HZ3 LYS A 10 12.359 -1.785 -8.178 1.00 30.32 H new ATOM 155 N SER A 11 7.695 0.336 -12.871 1.00 13.43 N ATOM 156 CA SER A 11 6.611 1.074 -13.497 1.00 14.11 C ATOM 157 C SER A 11 6.966 1.393 -14.951 1.00 32.44 C ATOM 158 O SER A 11 6.090 1.429 -15.814 1.00 1.13 O ATOM 159 CB SER A 11 6.306 2.363 -12.730 1.00 64.42 C ATOM 160 OG SER A 11 4.934 2.732 -12.831 1.00 13.14 O ATOM 0 H SER A 11 8.048 0.747 -12.007 1.00 13.43 H new ATOM 0 HA SER A 11 5.717 0.451 -13.476 1.00 14.11 H new ATOM 0 HB2 SER A 11 6.570 2.231 -11.681 1.00 64.42 H new ATOM 0 HB3 SER A 11 6.928 3.171 -13.116 1.00 64.42 H new ATOM 0 HG SER A 11 4.779 3.558 -12.327 1.00 13.14 H new ATOM 166 N VAL A 12 8.252 1.615 -15.177 1.00 1.32 N ATOM 167 CA VAL A 12 8.734 1.930 -16.511 1.00 71.41 C ATOM 168 C VAL A 12 8.427 0.760 -17.448 1.00 64.51 C ATOM 169 O VAL A 12 8.151 0.962 -18.629 1.00 74.34 O ATOM 170 CB VAL A 12 10.222 2.281 -16.461 1.00 2.12 C ATOM 171 CG1 VAL A 12 10.891 2.029 -17.813 1.00 62.24 C ATOM 172 CG2 VAL A 12 10.429 3.728 -16.008 1.00 73.02 C ATOM 0 H VAL A 12 8.975 1.583 -14.459 1.00 1.32 H new ATOM 0 HA VAL A 12 8.221 2.807 -16.906 1.00 71.41 H new ATOM 0 HB VAL A 12 10.695 1.629 -15.727 1.00 2.12 H new ATOM 0 HG11 VAL A 12 11.948 2.287 -17.749 1.00 62.24 H new ATOM 0 HG12 VAL A 12 10.789 0.977 -18.079 1.00 62.24 H new ATOM 0 HG13 VAL A 12 10.413 2.644 -18.576 1.00 62.24 H new ATOM 0 HG21 VAL A 12 11.495 3.952 -15.981 1.00 73.02 H new ATOM 0 HG22 VAL A 12 9.934 4.402 -16.707 1.00 73.02 H new ATOM 0 HG23 VAL A 12 10.005 3.862 -15.013 1.00 73.02 H new ATOM 182 N ARG A 13 8.487 -0.439 -16.886 1.00 2.43 N ATOM 183 CA ARG A 13 8.219 -1.641 -17.656 1.00 65.22 C ATOM 184 C ARG A 13 6.744 -1.697 -18.057 1.00 31.43 C ATOM 185 O ARG A 13 6.407 -2.190 -19.132 1.00 63.32 O ATOM 186 CB ARG A 13 8.572 -2.897 -16.857 1.00 21.21 C ATOM 187 CG ARG A 13 10.015 -2.838 -16.351 1.00 71.11 C ATOM 188 CD ARG A 13 10.935 -2.195 -17.391 1.00 54.01 C ATOM 189 NE ARG A 13 10.804 -2.899 -18.686 1.00 65.33 N ATOM 190 CZ ARG A 13 11.250 -4.153 -18.914 1.00 44.02 C ATOM 191 NH1 ARG A 13 11.860 -4.852 -17.934 1.00 24.14 N ATOM 192 NH2 ARG A 13 11.081 -4.685 -20.110 1.00 41.14 N ATOM 0 H ARG A 13 8.717 -0.603 -15.906 1.00 2.43 H new ATOM 0 HA ARG A 13 8.841 -1.607 -18.551 1.00 65.22 H new ATOM 0 HB2 ARG A 13 7.891 -2.998 -16.012 1.00 21.21 H new ATOM 0 HB3 ARG A 13 8.438 -3.780 -17.482 1.00 21.21 H new ATOM 0 HG2 ARG A 13 10.056 -2.268 -15.423 1.00 71.11 H new ATOM 0 HG3 ARG A 13 10.366 -3.845 -16.123 1.00 71.11 H new ATOM 0 HD2 ARG A 13 10.680 -1.142 -17.513 1.00 54.01 H new ATOM 0 HD3 ARG A 13 11.969 -2.235 -17.049 1.00 54.01 H new ATOM 0 HE ARG A 13 10.348 -2.406 -19.454 1.00 65.33 H new ATOM 0 HH11 ARG A 13 11.987 -4.434 -17.012 1.00 24.14 H new ATOM 0 HH12 ARG A 13 12.194 -5.799 -18.115 1.00 24.14 H new ATOM 0 HH21 ARG A 13 10.619 -4.150 -20.846 1.00 41.14 H new ATOM 0 HH22 ARG A 13 11.412 -5.631 -20.299 1.00 41.14 H new ATOM 205 N HIS A 14 5.903 -1.186 -17.170 1.00 0.51 N ATOM 206 CA HIS A 14 4.471 -1.171 -17.418 1.00 23.35 C ATOM 207 C HIS A 14 4.135 -0.066 -18.420 1.00 52.32 C ATOM 208 O HIS A 14 3.340 -0.274 -19.335 1.00 52.54 O ATOM 209 CB HIS A 14 3.695 -1.039 -16.106 1.00 55.11 C ATOM 210 CG HIS A 14 2.398 -0.275 -16.235 1.00 3.15 C ATOM 211 ND1 HIS A 14 2.161 1.031 -16.551 1.00 34.15 N flip ATOM 212 CD2 HIS A 14 1.161 -0.858 -16.027 1.00 32.54 C flip ATOM 213 CE1 HIS A 14 0.849 1.233 -16.538 1.00 23.33 C flip ATOM 214 NE2 HIS A 14 0.227 0.064 -16.213 1.00 2.41 N flip ATOM 0 H HIS A 14 6.186 -0.779 -16.278 1.00 0.51 H new ATOM 0 HA HIS A 14 4.164 -2.119 -17.860 1.00 23.35 H new ATOM 0 HB2 HIS A 14 3.481 -2.036 -15.720 1.00 55.11 H new ATOM 0 HB3 HIS A 14 4.327 -0.541 -15.370 1.00 55.11 H new ATOM 0 HD2 HIS A 14 0.986 -1.889 -15.759 1.00 32.54 H new ATOM 0 HE1 HIS A 14 0.355 2.170 -16.750 1.00 23.33 H new ATOM 0 HE2 HIS A 14 -0.780 -0.076 -16.128 1.00 2.41 H new ATOM 222 N VAL A 15 4.757 1.086 -18.214 1.00 21.44 N ATOM 223 CA VAL A 15 4.534 2.224 -19.088 1.00 12.40 C ATOM 224 C VAL A 15 5.116 1.923 -20.470 1.00 64.31 C ATOM 225 O VAL A 15 4.567 2.348 -21.485 1.00 64.04 O ATOM 226 CB VAL A 15 5.116 3.491 -18.457 1.00 64.31 C ATOM 227 CG1 VAL A 15 6.544 3.741 -18.948 1.00 33.13 C ATOM 228 CG2 VAL A 15 4.222 4.701 -18.732 1.00 10.44 C ATOM 0 H VAL A 15 5.416 1.255 -17.454 1.00 21.44 H new ATOM 0 HA VAL A 15 3.466 2.402 -19.217 1.00 12.40 H new ATOM 0 HB VAL A 15 5.154 3.341 -17.378 1.00 64.31 H new ATOM 0 HG11 VAL A 15 6.935 4.647 -18.485 1.00 33.13 H new ATOM 0 HG12 VAL A 15 7.175 2.894 -18.678 1.00 33.13 H new ATOM 0 HG13 VAL A 15 6.541 3.860 -20.031 1.00 33.13 H new ATOM 0 HG21 VAL A 15 4.659 5.588 -18.273 1.00 10.44 H new ATOM 0 HG22 VAL A 15 4.137 4.854 -19.808 1.00 10.44 H new ATOM 0 HG23 VAL A 15 3.232 4.525 -18.312 1.00 10.44 H new ATOM 238 N VAL A 16 6.221 1.191 -20.465 1.00 31.14 N ATOM 239 CA VAL A 16 6.884 0.827 -21.705 1.00 51.34 C ATOM 240 C VAL A 16 5.881 0.136 -22.631 1.00 53.52 C ATOM 241 O VAL A 16 5.848 0.408 -23.831 1.00 24.15 O ATOM 242 CB VAL A 16 8.114 -0.033 -21.409 1.00 2.42 C ATOM 243 CG1 VAL A 16 8.481 -0.900 -22.615 1.00 13.41 C ATOM 244 CG2 VAL A 16 9.298 0.835 -20.977 1.00 22.21 C ATOM 0 H VAL A 16 6.674 0.840 -19.621 1.00 31.14 H new ATOM 0 HA VAL A 16 7.243 1.718 -22.221 1.00 51.34 H new ATOM 0 HB VAL A 16 7.866 -0.698 -20.582 1.00 2.42 H new ATOM 0 HG11 VAL A 16 9.359 -1.501 -22.377 1.00 13.41 H new ATOM 0 HG12 VAL A 16 7.646 -1.557 -22.858 1.00 13.41 H new ATOM 0 HG13 VAL A 16 8.700 -0.260 -23.470 1.00 13.41 H new ATOM 0 HG21 VAL A 16 10.160 0.199 -20.773 1.00 22.21 H new ATOM 0 HG22 VAL A 16 9.545 1.536 -21.774 1.00 22.21 H new ATOM 0 HG23 VAL A 16 9.034 1.389 -20.076 1.00 22.21 H new ATOM 254 N ASP A 17 5.086 -0.743 -22.039 1.00 64.33 N ATOM 255 CA ASP A 17 4.085 -1.475 -22.796 1.00 32.20 C ATOM 256 C ASP A 17 3.036 -0.496 -23.326 1.00 13.42 C ATOM 257 O ASP A 17 2.393 -0.758 -24.341 1.00 41.13 O ATOM 258 CB ASP A 17 3.371 -2.502 -21.915 1.00 74.00 C ATOM 259 CG ASP A 17 2.782 -3.699 -22.664 1.00 63.24 C ATOM 260 OD1 ASP A 17 1.758 -3.581 -23.352 1.00 75.25 O ATOM 261 OD2 ASP A 17 3.430 -4.805 -22.519 1.00 31.44 O ATOM 0 H ASP A 17 5.115 -0.965 -21.044 1.00 64.33 H new ATOM 0 HA ASP A 17 4.590 -1.990 -23.613 1.00 32.20 H new ATOM 0 HB2 ASP A 17 4.075 -2.870 -21.169 1.00 74.00 H new ATOM 0 HB3 ASP A 17 2.568 -2.000 -21.375 1.00 74.00 H new ATOM 267 N ALA A 18 2.895 0.613 -22.614 1.00 72.00 N ATOM 268 CA ALA A 18 1.935 1.633 -23.000 1.00 14.11 C ATOM 269 C ALA A 18 2.381 2.276 -24.314 1.00 41.52 C ATOM 270 O ALA A 18 1.561 2.528 -25.196 1.00 44.31 O ATOM 271 CB ALA A 18 1.793 2.654 -21.869 1.00 54.35 C ATOM 0 H ALA A 18 3.430 0.827 -21.772 1.00 72.00 H new ATOM 0 HA ALA A 18 0.952 1.192 -23.166 1.00 14.11 H new ATOM 0 HB1 ALA A 18 1.073 3.419 -22.158 1.00 54.35 H new ATOM 0 HB2 ALA A 18 1.445 2.151 -20.966 1.00 54.35 H new ATOM 0 HB3 ALA A 18 2.759 3.120 -21.676 1.00 54.35 H new ATOM 277 N ILE A 19 3.680 2.524 -24.404 1.00 15.02 N ATOM 278 CA ILE A 19 4.245 3.133 -25.596 1.00 11.33 C ATOM 279 C ILE A 19 4.050 2.192 -26.786 1.00 22.42 C ATOM 280 O ILE A 19 4.019 2.634 -27.933 1.00 64.32 O ATOM 281 CB ILE A 19 5.704 3.527 -25.356 1.00 14.55 C ATOM 282 CG1 ILE A 19 5.806 4.637 -24.307 1.00 22.34 C ATOM 283 CG2 ILE A 19 6.390 3.914 -26.667 1.00 62.41 C ATOM 284 CD1 ILE A 19 6.754 4.235 -23.174 1.00 74.35 C ATOM 0 H ILE A 19 4.357 2.314 -23.671 1.00 15.02 H new ATOM 0 HA ILE A 19 3.723 4.060 -25.834 1.00 11.33 H new ATOM 0 HB ILE A 19 6.232 2.659 -24.960 1.00 14.55 H new ATOM 0 HG12 ILE A 19 6.162 5.554 -24.776 1.00 22.34 H new ATOM 0 HG13 ILE A 19 4.817 4.850 -23.901 1.00 22.34 H new ATOM 0 HG21 ILE A 19 7.426 4.190 -26.468 1.00 62.41 H new ATOM 0 HG22 ILE A 19 6.365 3.068 -27.354 1.00 62.41 H new ATOM 0 HG23 ILE A 19 5.869 4.760 -27.114 1.00 62.41 H new ATOM 0 HD11 ILE A 19 6.809 5.041 -22.442 1.00 74.35 H new ATOM 0 HD12 ILE A 19 6.382 3.331 -22.691 1.00 74.35 H new ATOM 0 HD13 ILE A 19 7.748 4.046 -23.581 1.00 74.35 H new ATOM 296 N GLY A 20 3.924 0.911 -26.471 1.00 60.34 N ATOM 297 CA GLY A 20 3.733 -0.097 -27.501 1.00 23.24 C ATOM 298 C GLY A 20 2.255 -0.466 -27.639 1.00 71.14 C ATOM 299 O GLY A 20 1.844 -1.024 -28.655 1.00 75.43 O ATOM 0 H GLY A 20 3.950 0.548 -25.518 1.00 60.34 H new ATOM 0 HA2 GLY A 20 4.109 0.276 -28.454 1.00 23.24 H new ATOM 0 HA3 GLY A 20 4.312 -0.987 -27.256 1.00 23.24 H new ATOM 303 N SER A 21 1.497 -0.139 -26.603 1.00 75.24 N ATOM 304 CA SER A 21 0.073 -0.429 -26.597 1.00 33.20 C ATOM 305 C SER A 21 -0.712 0.791 -27.084 1.00 20.24 C ATOM 306 O SER A 21 -1.939 0.815 -27.007 1.00 14.14 O ATOM 307 CB SER A 21 -0.399 -0.842 -25.201 1.00 50.42 C ATOM 308 OG SER A 21 -1.667 -1.490 -25.236 1.00 75.14 O ATOM 0 H SER A 21 1.842 0.324 -25.762 1.00 75.24 H new ATOM 0 HA SER A 21 -0.109 -1.264 -27.274 1.00 33.20 H new ATOM 0 HB2 SER A 21 0.337 -1.509 -24.752 1.00 50.42 H new ATOM 0 HB3 SER A 21 -0.460 0.040 -24.563 1.00 50.42 H new ATOM 0 HG SER A 21 -1.932 -1.739 -24.326 1.00 75.14 H new ATOM 314 N VAL A 22 0.029 1.774 -27.574 1.00 33.21 N ATOM 315 CA VAL A 22 -0.582 2.994 -28.073 1.00 73.00 C ATOM 316 C VAL A 22 -1.556 2.647 -29.201 1.00 13.12 C ATOM 317 O VAL A 22 -2.558 3.334 -29.394 1.00 41.41 O ATOM 318 CB VAL A 22 0.502 3.984 -28.503 1.00 11.30 C ATOM 319 CG1 VAL A 22 -0.093 5.119 -29.339 1.00 45.14 C ATOM 320 CG2 VAL A 22 1.255 4.534 -27.290 1.00 20.53 C ATOM 0 H VAL A 22 1.047 1.750 -27.636 1.00 33.21 H new ATOM 0 HA VAL A 22 -1.156 3.483 -27.286 1.00 73.00 H new ATOM 0 HB VAL A 22 1.217 3.447 -29.126 1.00 11.30 H new ATOM 0 HG11 VAL A 22 0.699 5.809 -29.632 1.00 45.14 H new ATOM 0 HG12 VAL A 22 -0.563 4.706 -30.232 1.00 45.14 H new ATOM 0 HG13 VAL A 22 -0.839 5.652 -28.750 1.00 45.14 H new ATOM 0 HG21 VAL A 22 2.020 5.235 -27.624 1.00 20.53 H new ATOM 0 HG22 VAL A 22 0.556 5.047 -26.630 1.00 20.53 H new ATOM 0 HG23 VAL A 22 1.727 3.712 -26.751 1.00 20.53 H new ATOM 330 N ALA A 23 -1.228 1.581 -29.916 1.00 12.11 N ATOM 331 CA ALA A 23 -2.062 1.135 -31.019 1.00 65.43 C ATOM 332 C ALA A 23 -3.346 0.516 -30.465 1.00 15.53 C ATOM 333 O ALA A 23 -4.339 0.392 -31.181 1.00 21.34 O ATOM 334 CB ALA A 23 -1.273 0.156 -31.891 1.00 63.34 C ATOM 0 H ALA A 23 -0.396 1.013 -29.753 1.00 12.11 H new ATOM 0 HA ALA A 23 -2.348 1.977 -31.649 1.00 65.43 H new ATOM 0 HB1 ALA A 23 -1.898 -0.179 -32.719 1.00 63.34 H new ATOM 0 HB2 ALA A 23 -0.386 0.652 -32.284 1.00 63.34 H new ATOM 0 HB3 ALA A 23 -0.972 -0.704 -31.292 1.00 63.34 H new ATOM 340 N GLY A 24 -3.286 0.146 -29.194 1.00 74.21 N ATOM 341 CA GLY A 24 -4.433 -0.456 -28.535 1.00 60.42 C ATOM 342 C GLY A 24 -4.955 0.442 -27.412 1.00 45.52 C ATOM 343 O GLY A 24 -5.661 -0.021 -26.518 1.00 61.44 O ATOM 0 H GLY A 24 -2.461 0.251 -28.603 1.00 74.21 H new ATOM 0 HA2 GLY A 24 -5.225 -0.631 -29.263 1.00 60.42 H new ATOM 0 HA3 GLY A 24 -4.154 -1.428 -28.128 1.00 60.42 H new ATOM 347 N ILE A 25 -4.586 1.712 -27.495 1.00 11.53 N ATOM 348 CA ILE A 25 -5.008 2.680 -26.497 1.00 0.55 C ATOM 349 C ILE A 25 -5.291 4.020 -27.179 1.00 42.21 C ATOM 350 O ILE A 25 -6.396 4.550 -27.080 1.00 13.41 O ATOM 351 CB ILE A 25 -3.978 2.770 -25.369 1.00 12.35 C ATOM 352 CG1 ILE A 25 -4.209 1.674 -24.327 1.00 33.14 C ATOM 353 CG2 ILE A 25 -3.973 4.166 -24.741 1.00 22.41 C ATOM 354 CD1 ILE A 25 -2.906 0.940 -24.005 1.00 70.41 C ATOM 0 H ILE A 25 -4.000 2.093 -28.238 1.00 11.53 H new ATOM 0 HA ILE A 25 -5.937 2.360 -26.025 1.00 0.55 H new ATOM 0 HB ILE A 25 -2.989 2.605 -25.796 1.00 12.35 H new ATOM 0 HG12 ILE A 25 -4.618 2.113 -23.417 1.00 33.14 H new ATOM 0 HG13 ILE A 25 -4.948 0.964 -24.698 1.00 33.14 H new ATOM 0 HG21 ILE A 25 -3.232 4.203 -23.942 1.00 22.41 H new ATOM 0 HG22 ILE A 25 -3.724 4.906 -25.501 1.00 22.41 H new ATOM 0 HG23 ILE A 25 -4.959 4.384 -24.332 1.00 22.41 H new ATOM 0 HD11 ILE A 25 -3.098 0.166 -23.262 1.00 70.41 H new ATOM 0 HD12 ILE A 25 -2.513 0.482 -24.912 1.00 70.41 H new ATOM 0 HD13 ILE A 25 -2.177 1.648 -23.611 1.00 70.41 H new ATOM 366 N ARG A 26 -4.273 4.529 -27.857 1.00 44.20 N ATOM 367 CA ARG A 26 -4.398 5.797 -28.556 1.00 22.01 C ATOM 368 C ARG A 26 -5.307 5.643 -29.776 1.00 74.34 C ATOM 369 O ARG A 26 -5.943 6.604 -30.207 1.00 23.10 O ATOM 370 CB ARG A 26 -3.031 6.313 -29.009 1.00 42.23 C ATOM 371 CG ARG A 26 -3.180 7.533 -29.921 1.00 11.13 C ATOM 372 CD ARG A 26 -2.825 7.183 -31.367 1.00 50.43 C ATOM 373 NE ARG A 26 -2.042 8.282 -31.976 1.00 22.22 N ATOM 374 CZ ARG A 26 -2.590 9.353 -32.588 1.00 44.02 C ATOM 375 NH1 ARG A 26 -3.931 9.479 -32.679 1.00 24.13 N ATOM 376 NH2 ARG A 26 -1.794 10.275 -33.097 1.00 52.33 N ATOM 0 H ARG A 26 -3.358 4.086 -27.937 1.00 44.20 H new ATOM 0 HA ARG A 26 -4.834 6.516 -27.863 1.00 22.01 H new ATOM 0 HB2 ARG A 26 -2.431 6.577 -28.138 1.00 42.23 H new ATOM 0 HB3 ARG A 26 -2.497 5.523 -29.537 1.00 42.23 H new ATOM 0 HG2 ARG A 26 -4.204 7.904 -29.874 1.00 11.13 H new ATOM 0 HG3 ARG A 26 -2.533 8.336 -29.568 1.00 11.13 H new ATOM 0 HD2 ARG A 26 -2.251 6.257 -31.395 1.00 50.43 H new ATOM 0 HD3 ARG A 26 -3.735 7.011 -31.942 1.00 50.43 H new ATOM 0 HE ARG A 26 -1.025 8.226 -31.930 1.00 22.22 H new ATOM 0 HH11 ARG A 26 -4.539 8.762 -32.284 1.00 24.13 H new ATOM 0 HH12 ARG A 26 -4.337 10.292 -33.143 1.00 24.13 H new ATOM 0 HH21 ARG A 26 -0.782 10.171 -33.024 1.00 52.33 H new ATOM 0 HH22 ARG A 26 -2.191 11.091 -33.563 1.00 52.33 H new ATOM 389 N GLY A 27 -5.341 4.426 -30.299 1.00 71.25 N ATOM 390 CA GLY A 27 -6.162 4.133 -31.462 1.00 14.31 C ATOM 391 C GLY A 27 -7.628 3.947 -31.065 1.00 32.43 C ATOM 392 O GLY A 27 -8.530 4.285 -31.829 1.00 52.33 O ATOM 0 H GLY A 27 -4.813 3.631 -29.939 1.00 71.25 H new ATOM 0 HA2 GLY A 27 -6.077 4.944 -32.185 1.00 14.31 H new ATOM 0 HA3 GLY A 27 -5.797 3.230 -31.952 1.00 14.31 H new ATOM 396 N ILE A 28 -7.820 3.408 -29.869 1.00 52.34 N ATOM 397 CA ILE A 28 -9.161 3.172 -29.361 1.00 41.54 C ATOM 398 C ILE A 28 -9.744 4.489 -28.844 1.00 34.20 C ATOM 399 O ILE A 28 -10.956 4.609 -28.671 1.00 53.42 O ATOM 400 CB ILE A 28 -9.150 2.053 -28.319 1.00 24.22 C ATOM 401 CG1 ILE A 28 -9.010 2.621 -26.905 1.00 52.32 C ATOM 402 CG2 ILE A 28 -8.062 1.023 -28.632 1.00 75.22 C ATOM 403 CD1 ILE A 28 -9.104 1.512 -25.856 1.00 62.51 C ATOM 0 H ILE A 28 -7.069 3.128 -29.238 1.00 52.34 H new ATOM 0 HA ILE A 28 -9.816 2.825 -30.160 1.00 41.54 H new ATOM 0 HB ILE A 28 -10.108 1.535 -28.365 1.00 24.22 H new ATOM 0 HG12 ILE A 28 -8.054 3.136 -26.809 1.00 52.32 H new ATOM 0 HG13 ILE A 28 -9.790 3.361 -26.728 1.00 52.32 H new ATOM 0 HG21 ILE A 28 -8.076 0.238 -27.876 1.00 75.22 H new ATOM 0 HG22 ILE A 28 -8.247 0.585 -29.613 1.00 75.22 H new ATOM 0 HG23 ILE A 28 -7.087 1.511 -28.630 1.00 75.22 H new ATOM 0 HD11 ILE A 28 -9.001 1.943 -24.860 1.00 62.51 H new ATOM 0 HD12 ILE A 28 -10.070 1.015 -25.938 1.00 62.51 H new ATOM 0 HD13 ILE A 28 -8.307 0.787 -26.021 1.00 62.51 H new ATOM 415 N LEU A 29 -8.855 5.442 -28.611 1.00 43.41 N ATOM 416 CA LEU A 29 -9.266 6.745 -28.117 1.00 11.42 C ATOM 417 C LEU A 29 -10.201 7.400 -29.135 1.00 51.55 C ATOM 418 O LEU A 29 -11.066 8.195 -28.769 1.00 21.43 O ATOM 419 CB LEU A 29 -8.044 7.597 -27.768 1.00 24.41 C ATOM 420 CG LEU A 29 -7.762 8.779 -28.697 1.00 15.30 C ATOM 421 CD1 LEU A 29 -8.462 10.046 -28.200 1.00 33.43 C ATOM 422 CD2 LEU A 29 -6.258 8.989 -28.877 1.00 43.33 C ATOM 0 H LEU A 29 -7.851 5.338 -28.755 1.00 43.41 H new ATOM 0 HA LEU A 29 -9.828 6.640 -27.189 1.00 11.42 H new ATOM 0 HB2 LEU A 29 -8.170 7.979 -26.755 1.00 24.41 H new ATOM 0 HB3 LEU A 29 -7.166 6.951 -27.758 1.00 24.41 H new ATOM 0 HG LEU A 29 -8.174 8.547 -29.679 1.00 15.30 H new ATOM 0 HD11 LEU A 29 -8.245 10.871 -28.878 1.00 33.43 H new ATOM 0 HD12 LEU A 29 -9.538 9.877 -28.166 1.00 33.43 H new ATOM 0 HD13 LEU A 29 -8.102 10.293 -27.201 1.00 33.43 H new ATOM 0 HD21 LEU A 29 -6.086 9.835 -29.542 1.00 43.33 H new ATOM 0 HD22 LEU A 29 -5.800 9.189 -27.908 1.00 43.33 H new ATOM 0 HD23 LEU A 29 -5.815 8.092 -29.309 1.00 43.33 H new ATOM 434 N LYS A 30 -9.996 7.043 -30.395 1.00 2.23 N ATOM 435 CA LYS A 30 -10.810 7.586 -31.469 1.00 4.31 C ATOM 436 C LYS A 30 -12.249 7.092 -31.312 1.00 52.41 C ATOM 437 O LYS A 30 -13.157 7.597 -31.971 1.00 35.34 O ATOM 438 CB LYS A 30 -10.191 7.257 -32.829 1.00 30.31 C ATOM 439 CG LYS A 30 -10.315 5.764 -33.140 1.00 74.15 C ATOM 440 CD LYS A 30 -11.480 5.499 -34.097 1.00 65.51 C ATOM 441 CE LYS A 30 -10.971 5.195 -35.508 1.00 55.31 C ATOM 442 NZ LYS A 30 -11.921 5.706 -36.522 1.00 35.42 N ATOM 0 H LYS A 30 -9.278 6.384 -30.696 1.00 2.23 H new ATOM 0 HA LYS A 30 -10.839 8.674 -31.413 1.00 4.31 H new ATOM 0 HB2 LYS A 30 -10.686 7.837 -33.608 1.00 30.31 H new ATOM 0 HB3 LYS A 30 -9.140 7.547 -32.834 1.00 30.31 H new ATOM 0 HG2 LYS A 30 -9.387 5.403 -33.582 1.00 74.15 H new ATOM 0 HG3 LYS A 30 -10.465 5.207 -32.215 1.00 74.15 H new ATOM 0 HD2 LYS A 30 -12.072 4.660 -33.731 1.00 65.51 H new ATOM 0 HD3 LYS A 30 -12.139 6.367 -34.123 1.00 65.51 H new ATOM 0 HE2 LYS A 30 -9.992 5.652 -35.655 1.00 55.31 H new ATOM 0 HE3 LYS A 30 -10.842 4.120 -35.631 1.00 55.31 H new ATOM 0 HZ1 LYS A 30 -11.561 5.492 -37.474 1.00 35.42 H new ATOM 0 HZ2 LYS A 30 -12.847 5.250 -36.391 1.00 35.42 H new ATOM 0 HZ3 LYS A 30 -12.023 6.735 -36.414 1.00 35.42 H new ATOM 455 N SER A 31 -12.412 6.112 -30.436 1.00 74.22 N ATOM 456 CA SER A 31 -13.726 5.544 -30.185 1.00 10.05 C ATOM 457 C SER A 31 -14.321 6.146 -28.910 1.00 23.13 C ATOM 458 O SER A 31 -15.506 5.971 -28.631 1.00 1.32 O ATOM 459 CB SER A 31 -13.654 4.020 -30.069 1.00 14.24 C ATOM 460 OG SER A 31 -13.953 3.570 -28.750 1.00 0.52 O ATOM 0 H SER A 31 -11.656 5.697 -29.891 1.00 74.22 H new ATOM 0 HA SER A 31 -14.371 5.787 -31.029 1.00 10.05 H new ATOM 0 HB2 SER A 31 -14.354 3.569 -30.773 1.00 14.24 H new ATOM 0 HB3 SER A 31 -12.657 3.682 -30.350 1.00 14.24 H new ATOM 0 HG SER A 31 -13.898 2.592 -28.718 1.00 0.52 H new ATOM 466 N ILE A 32 -13.470 6.842 -28.170 1.00 14.31 N ATOM 467 CA ILE A 32 -13.897 7.471 -26.931 1.00 41.13 C ATOM 468 C ILE A 32 -14.136 8.962 -27.177 1.00 51.13 C ATOM 469 O ILE A 32 -15.006 9.567 -26.551 1.00 65.54 O ATOM 470 CB ILE A 32 -12.893 7.186 -25.812 1.00 73.33 C ATOM 471 CG1 ILE A 32 -12.164 5.863 -26.054 1.00 61.42 C ATOM 472 CG2 ILE A 32 -13.574 7.223 -24.443 1.00 31.24 C ATOM 473 CD1 ILE A 32 -13.130 4.679 -25.963 1.00 42.52 C ATOM 0 H ILE A 32 -12.488 6.984 -28.404 1.00 14.31 H new ATOM 0 HA ILE A 32 -14.843 7.047 -26.595 1.00 41.13 H new ATOM 0 HB ILE A 32 -12.140 7.974 -25.819 1.00 73.33 H new ATOM 0 HG12 ILE A 32 -11.693 5.878 -27.037 1.00 61.42 H new ATOM 0 HG13 ILE A 32 -11.367 5.744 -25.320 1.00 61.42 H new ATOM 0 HG21 ILE A 32 -12.839 7.017 -23.665 1.00 31.24 H new ATOM 0 HG22 ILE A 32 -14.009 8.209 -24.280 1.00 31.24 H new ATOM 0 HG23 ILE A 32 -14.360 6.469 -24.407 1.00 31.24 H new ATOM 0 HD11 ILE A 32 -12.586 3.751 -26.139 1.00 42.52 H new ATOM 0 HD12 ILE A 32 -13.581 4.653 -24.971 1.00 42.52 H new ATOM 0 HD13 ILE A 32 -13.912 4.789 -26.714 1.00 42.52 H new ATOM 485 N ARG A 33 -13.349 9.512 -28.090 1.00 52.23 N ATOM 486 CA ARG A 33 -13.464 10.921 -28.427 1.00 15.12 C ATOM 487 C ARG A 33 -13.882 11.728 -27.196 1.00 4.41 C ATOM 488 O ARG A 33 -13.070 11.971 -26.304 1.00 41.11 O ATOM 489 CB ARG A 33 -14.489 11.139 -29.542 1.00 61.11 C ATOM 490 CG ARG A 33 -15.902 10.801 -29.062 1.00 40.03 C ATOM 491 CD ARG A 33 -16.465 11.920 -28.184 1.00 1.22 C ATOM 492 NE ARG A 33 -16.641 11.435 -26.797 1.00 23.12 N ATOM 493 CZ ARG A 33 -16.796 12.243 -25.726 1.00 72.43 C ATOM 494 NH1 ARG A 33 -16.799 13.584 -25.875 1.00 40.41 N ATOM 495 NH2 ARG A 33 -16.945 11.701 -24.532 1.00 34.30 N ATOM 0 H ARG A 33 -12.629 9.007 -28.607 1.00 52.23 H new ATOM 0 HA ARG A 33 -12.488 11.260 -28.775 1.00 15.12 H new ATOM 0 HB2 ARG A 33 -14.453 12.176 -29.876 1.00 61.11 H new ATOM 0 HB3 ARG A 33 -14.235 10.518 -30.401 1.00 61.11 H new ATOM 0 HG2 ARG A 33 -16.554 10.645 -29.921 1.00 40.03 H new ATOM 0 HG3 ARG A 33 -15.886 9.867 -28.501 1.00 40.03 H new ATOM 0 HD2 ARG A 33 -15.791 12.777 -28.196 1.00 1.22 H new ATOM 0 HD3 ARG A 33 -17.420 12.261 -28.583 1.00 1.22 H new ATOM 0 HE ARG A 33 -16.646 10.427 -26.640 1.00 23.12 H new ATOM 0 HH11 ARG A 33 -16.684 13.994 -26.802 1.00 40.41 H new ATOM 0 HH12 ARG A 33 -16.917 14.187 -25.061 1.00 40.41 H new ATOM 0 HH21 ARG A 33 -16.942 10.686 -24.429 1.00 34.30 H new ATOM 0 HH22 ARG A 33 -17.063 12.297 -23.713 1.00 34.30 H new TER 508 ARG A 33