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+ 162:sc= 0.00858 (180deg=0) USER MOD Single : A 2 ASN :FLIP amide:sc= -1.99! C(o=-6.8!,f=-2!) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc= -4.26! C(o=-4.3!,f=-7.3!) 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= -0.684 F(o=-2!,f=-0.68) USER MOD Single : A 21 SER OG : rot 76:sc= 0.124! USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot -35:sc= 0.0911 USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 3.987 5.730 -12.504 1.00 74.14 N ATOM 2 CA PHE A 1 4.534 6.026 -11.192 1.00 24.35 C ATOM 3 C PHE A 1 3.436 6.483 -10.229 1.00 61.04 C ATOM 4 O PHE A 1 2.417 7.023 -10.657 1.00 1.43 O ATOM 5 CB PHE A 1 5.542 7.162 -11.373 1.00 45.22 C ATOM 6 CG PHE A 1 6.961 6.814 -10.918 1.00 43.13 C ATOM 7 CD1 PHE A 1 7.151 5.965 -9.873 1.00 61.11 C ATOM 8 CD2 PHE A 1 8.032 7.354 -11.559 1.00 65.01 C ATOM 9 CE1 PHE A 1 8.468 5.642 -9.451 1.00 31.01 C ATOM 10 CE2 PHE A 1 9.349 7.031 -11.137 1.00 2.01 C ATOM 11 CZ PHE A 1 9.539 6.182 -10.092 1.00 21.24 C ATOM 0 H1 PHE A 1 4.754 5.721 -13.206 1.00 74.14 H new ATOM 0 H2 PHE A 1 3.524 4.799 -12.485 1.00 74.14 H new ATOM 0 H3 PHE A 1 3.290 6.458 -12.762 1.00 74.14 H new ATOM 0 HA PHE A 1 4.998 5.133 -10.773 1.00 24.35 H new ATOM 0 HB2 PHE A 1 5.568 7.446 -12.425 1.00 45.22 H new ATOM 0 HB3 PHE A 1 5.196 8.033 -10.816 1.00 45.22 H new ATOM 0 HD1 PHE A 1 6.300 5.536 -9.364 1.00 61.11 H new ATOM 0 HD2 PHE A 1 7.881 8.028 -12.389 1.00 65.01 H new ATOM 0 HE1 PHE A 1 8.619 4.968 -8.621 1.00 31.01 H new ATOM 0 HE2 PHE A 1 10.200 7.460 -11.646 1.00 2.01 H new ATOM 0 HZ PHE A 1 10.541 5.936 -9.771 1.00 21.24 H new ATOM 21 N ASN A 2 3.681 6.249 -8.948 1.00 40.44 N ATOM 22 CA ASN A 2 2.726 6.631 -7.922 1.00 75.42 C ATOM 23 C ASN A 2 3.334 6.369 -6.543 1.00 35.22 C ATOM 24 O ASN A 2 3.400 7.270 -5.709 1.00 1.24 O ATOM 25 CB ASN A 2 1.439 5.810 -8.035 1.00 42.13 C ATOM 26 CG ASN A 2 0.712 5.743 -6.691 1.00 54.11 C ATOM 27 OD1 ASN A 2 1.232 4.866 -5.837 1.00 52.43 O flip ATOM 28 ND2 ASN A 2 -0.258 6.441 -6.445 1.00 40.24 N flip ATOM 0 H ASN A 2 4.527 5.800 -8.597 1.00 40.44 H new ATOM 0 HA ASN A 2 2.493 7.688 -8.054 1.00 75.42 H new ATOM 0 HB2 ASN A 2 0.785 6.254 -8.785 1.00 42.13 H new ATOM 0 HB3 ASN A 2 1.675 4.802 -8.375 1.00 42.13 H new ATOM 0 HD21 ASN A 2 -0.607 7.095 -7.146 1.00 40.24 H new ATOM 0 HD22 ASN A 2 -0.720 6.371 -5.538 1.00 40.24 H new ATOM 35 N ARG A 3 3.762 5.131 -6.346 1.00 32.44 N ATOM 36 CA ARG A 3 4.362 4.739 -5.082 1.00 21.23 C ATOM 37 C ARG A 3 5.682 5.482 -4.868 1.00 1.21 C ATOM 38 O ARG A 3 5.933 6.011 -3.786 1.00 54.00 O ATOM 39 CB ARG A 3 4.621 3.231 -5.039 1.00 12.43 C ATOM 40 CG ARG A 3 3.306 2.451 -4.974 1.00 3.14 C ATOM 41 CD ARG A 3 2.929 1.897 -6.349 1.00 12.21 C ATOM 42 NE ARG A 3 4.084 1.189 -6.944 1.00 20.33 N ATOM 43 CZ ARG A 3 4.069 0.605 -8.161 1.00 42.51 C ATOM 44 NH1 ARG A 3 2.956 0.642 -8.925 1.00 25.33 N ATOM 45 NH2 ARG A 3 5.159 -0.001 -8.594 1.00 10.13 N ATOM 0 H ARG A 3 3.705 4.386 -7.040 1.00 32.44 H new ATOM 0 HA ARG A 3 3.662 4.999 -4.288 1.00 21.23 H new ATOM 0 HB2 ARG A 3 5.184 2.930 -5.923 1.00 12.43 H new ATOM 0 HB3 ARG A 3 5.235 2.988 -4.172 1.00 12.43 H new ATOM 0 HG2 ARG A 3 3.400 1.632 -4.261 1.00 3.14 H new ATOM 0 HG3 ARG A 3 2.511 3.101 -4.609 1.00 3.14 H new ATOM 0 HD2 ARG A 3 2.083 1.216 -6.256 1.00 12.21 H new ATOM 0 HD3 ARG A 3 2.614 2.710 -7.004 1.00 12.21 H new ATOM 0 HE ARG A 3 4.946 1.139 -6.400 1.00 20.33 H new ATOM 0 HH11 ARG A 3 2.119 1.114 -8.584 1.00 25.33 H new ATOM 0 HH12 ARG A 3 2.953 0.198 -9.843 1.00 25.33 H new ATOM 0 HH21 ARG A 3 5.996 -0.023 -8.011 1.00 10.13 H new ATOM 0 HH22 ARG A 3 5.164 -0.447 -9.511 1.00 10.13 H new ATOM 58 N GLY A 4 6.492 5.499 -5.917 1.00 34.24 N ATOM 59 CA GLY A 4 7.780 6.169 -5.857 1.00 73.43 C ATOM 60 C GLY A 4 8.435 5.976 -4.488 1.00 43.22 C ATOM 61 O GLY A 4 9.185 6.836 -4.028 1.00 53.35 O ATOM 0 H GLY A 4 6.281 5.060 -6.813 1.00 34.24 H new ATOM 0 HA2 GLY A 4 8.434 5.777 -6.636 1.00 73.43 H new ATOM 0 HA3 GLY A 4 7.650 7.233 -6.055 1.00 73.43 H new ATOM 65 N GLY A 5 8.129 4.842 -3.875 1.00 41.22 N ATOM 66 CA GLY A 5 8.679 4.526 -2.568 1.00 61.11 C ATOM 67 C GLY A 5 9.714 3.403 -2.666 1.00 11.13 C ATOM 68 O GLY A 5 10.592 3.288 -1.812 1.00 63.34 O ATOM 0 H GLY A 5 7.507 4.131 -4.259 1.00 41.22 H new ATOM 0 HA2 GLY A 5 9.141 5.415 -2.139 1.00 61.11 H new ATOM 0 HA3 GLY A 5 7.876 4.228 -1.894 1.00 61.11 H new ATOM 72 N TYR A 6 9.576 2.604 -3.713 1.00 72.23 N ATOM 73 CA TYR A 6 10.488 1.494 -3.934 1.00 12.35 C ATOM 74 C TYR A 6 10.491 1.071 -5.404 1.00 21.22 C ATOM 75 O TYR A 6 11.547 0.799 -5.973 1.00 3.02 O ATOM 76 CB TYR A 6 9.958 0.338 -3.083 1.00 71.13 C ATOM 77 CG TYR A 6 9.178 0.783 -1.845 1.00 31.34 C ATOM 78 CD1 TYR A 6 7.958 1.413 -1.987 1.00 22.34 C ATOM 79 CD2 TYR A 6 9.694 0.554 -0.585 1.00 40.11 C ATOM 80 CE1 TYR A 6 7.224 1.831 -0.821 1.00 1.43 C ATOM 81 CE2 TYR A 6 8.960 0.973 0.581 1.00 71.22 C ATOM 82 CZ TYR A 6 7.761 1.591 0.405 1.00 21.24 C ATOM 83 OH TYR A 6 7.068 1.986 1.507 1.00 52.24 O ATOM 0 H TYR A 6 8.846 2.703 -4.418 1.00 72.23 H new ATOM 0 HA TYR A 6 11.507 1.775 -3.669 1.00 12.35 H new ATOM 0 HB2 TYR A 6 9.314 -0.288 -3.700 1.00 71.13 H new ATOM 0 HB3 TYR A 6 10.797 -0.282 -2.768 1.00 71.13 H new ATOM 0 HD1 TYR A 6 7.554 1.592 -2.972 1.00 22.34 H new ATOM 0 HD2 TYR A 6 10.648 0.061 -0.474 1.00 40.11 H new ATOM 0 HE1 TYR A 6 6.268 2.324 -0.918 1.00 1.43 H new ATOM 0 HE2 TYR A 6 9.352 0.801 1.572 1.00 71.22 H new ATOM 0 HH TYR A 6 7.572 1.748 2.313 1.00 52.24 H new ATOM 93 N ASN A 7 9.297 1.028 -5.977 1.00 24.11 N ATOM 94 CA ASN A 7 9.149 0.642 -7.370 1.00 4.21 C ATOM 95 C ASN A 7 9.681 1.764 -8.264 1.00 70.25 C ATOM 96 O ASN A 7 9.380 2.936 -8.042 1.00 30.50 O ATOM 97 CB ASN A 7 7.679 0.412 -7.724 1.00 60.53 C ATOM 98 CG ASN A 7 6.993 -0.466 -6.676 1.00 24.45 C ATOM 99 OD1 ASN A 7 6.861 -0.106 -5.517 1.00 72.14 O ATOM 100 ND2 ASN A 7 6.566 -1.635 -7.144 1.00 64.51 N ATOM 0 H ASN A 7 8.423 1.254 -5.502 1.00 24.11 H new ATOM 0 HA ASN A 7 9.706 -0.282 -7.526 1.00 4.21 H new ATOM 0 HB2 ASN A 7 7.164 1.370 -7.794 1.00 60.53 H new ATOM 0 HB3 ASN A 7 7.607 -0.061 -8.703 1.00 60.53 H new ATOM 0 HD21 ASN A 7 6.096 -2.292 -6.522 1.00 64.51 H new ATOM 0 HD22 ASN A 7 6.708 -1.874 -8.125 1.00 64.51 H new ATOM 107 N PHE A 8 10.462 1.365 -9.257 1.00 43.35 N ATOM 108 CA PHE A 8 11.039 2.322 -10.187 1.00 13.34 C ATOM 109 C PHE A 8 11.852 1.612 -11.271 1.00 2.53 C ATOM 110 O PHE A 8 12.874 2.128 -11.723 1.00 33.55 O ATOM 111 CB PHE A 8 11.970 3.227 -9.377 1.00 31.41 C ATOM 112 CG PHE A 8 12.710 2.506 -8.248 1.00 1.30 C ATOM 113 CD1 PHE A 8 13.007 1.184 -8.365 1.00 10.34 C ATOM 114 CD2 PHE A 8 13.071 3.188 -7.128 1.00 2.20 C ATOM 115 CE1 PHE A 8 13.694 0.516 -7.317 1.00 20.21 C ATOM 116 CE2 PHE A 8 13.758 2.520 -6.080 1.00 61.34 C ATOM 117 CZ PHE A 8 14.055 1.198 -6.197 1.00 21.41 C ATOM 0 H PHE A 8 10.709 0.392 -9.438 1.00 43.35 H new ATOM 0 HA PHE A 8 10.247 2.888 -10.678 1.00 13.34 H new ATOM 0 HB2 PHE A 8 12.702 3.674 -10.050 1.00 31.41 H new ATOM 0 HB3 PHE A 8 11.387 4.044 -8.952 1.00 31.41 H new ATOM 0 HD1 PHE A 8 12.721 0.643 -9.254 1.00 10.34 H new ATOM 0 HD2 PHE A 8 12.835 4.238 -7.036 1.00 2.20 H new ATOM 0 HE1 PHE A 8 13.930 -0.534 -7.409 1.00 20.21 H new ATOM 0 HE2 PHE A 8 14.044 3.061 -5.191 1.00 61.34 H new ATOM 0 HZ PHE A 8 14.578 0.690 -5.400 1.00 21.41 H new ATOM 127 N GLY A 9 11.369 0.441 -11.657 1.00 35.13 N ATOM 128 CA GLY A 9 12.038 -0.345 -12.679 1.00 40.13 C ATOM 129 C GLY A 9 11.059 -1.300 -13.366 1.00 0.52 C ATOM 130 O GLY A 9 10.982 -1.339 -14.593 1.00 0.32 O ATOM 0 H GLY A 9 10.521 0.017 -11.280 1.00 35.13 H new ATOM 0 HA2 GLY A 9 12.484 0.319 -13.420 1.00 40.13 H new ATOM 0 HA3 GLY A 9 12.852 -0.914 -12.230 1.00 40.13 H new ATOM 134 N LYS A 10 10.335 -2.046 -12.544 1.00 44.33 N ATOM 135 CA LYS A 10 9.365 -2.998 -13.057 1.00 14.50 C ATOM 136 C LYS A 10 8.234 -2.240 -13.756 1.00 11.23 C ATOM 137 O LYS A 10 7.937 -2.497 -14.921 1.00 43.25 O ATOM 138 CB LYS A 10 8.884 -3.927 -11.940 1.00 41.34 C ATOM 139 CG LYS A 10 9.995 -4.176 -10.919 1.00 23.43 C ATOM 140 CD LYS A 10 9.701 -3.455 -9.602 1.00 23.12 C ATOM 141 CE LYS A 10 10.942 -2.720 -9.090 1.00 70.14 C ATOM 142 NZ LYS A 10 11.866 -3.665 -8.424 1.00 41.20 N ATOM 0 H LYS A 10 10.401 -2.010 -11.527 1.00 44.33 H new ATOM 0 HA LYS A 10 9.825 -3.646 -13.803 1.00 14.50 H new ATOM 0 HB2 LYS A 10 8.020 -3.487 -11.443 1.00 41.34 H new ATOM 0 HB3 LYS A 10 8.557 -4.876 -12.366 1.00 41.34 H new ATOM 0 HG2 LYS A 10 10.094 -5.246 -10.738 1.00 23.43 H new ATOM 0 HG3 LYS A 10 10.948 -3.832 -11.322 1.00 23.43 H new ATOM 0 HD2 LYS A 10 8.887 -2.745 -9.746 1.00 23.12 H new ATOM 0 HD3 LYS A 10 9.367 -4.176 -8.856 1.00 23.12 H new ATOM 0 HE2 LYS A 10 11.450 -2.230 -9.920 1.00 70.14 H new ATOM 0 HE3 LYS A 10 10.646 -1.938 -8.391 1.00 70.14 H new ATOM 0 HZ1 LYS A 10 12.703 -3.150 -8.083 1.00 41.20 H new ATOM 0 HZ2 LYS A 10 11.383 -4.114 -7.619 1.00 41.20 H new ATOM 0 HZ3 LYS A 10 12.162 -4.396 -9.101 1.00 41.20 H new ATOM 155 N SER A 11 7.633 -1.321 -13.014 1.00 24.03 N ATOM 156 CA SER A 11 6.542 -0.524 -13.547 1.00 72.24 C ATOM 157 C SER A 11 6.974 0.147 -14.853 1.00 14.23 C ATOM 158 O SER A 11 6.160 0.338 -15.755 1.00 42.34 O ATOM 159 CB SER A 11 6.082 0.528 -12.536 1.00 63.12 C ATOM 160 OG SER A 11 4.852 1.136 -12.920 1.00 43.45 O ATOM 0 H SER A 11 7.882 -1.111 -12.047 1.00 24.03 H new ATOM 0 HA SER A 11 5.700 -1.187 -13.747 1.00 72.24 H new ATOM 0 HB2 SER A 11 5.966 0.063 -11.557 1.00 63.12 H new ATOM 0 HB3 SER A 11 6.850 1.295 -12.436 1.00 63.12 H new ATOM 0 HG SER A 11 4.592 1.800 -12.248 1.00 43.45 H new ATOM 166 N VAL A 12 8.253 0.487 -14.911 1.00 71.21 N ATOM 167 CA VAL A 12 8.803 1.133 -16.091 1.00 33.22 C ATOM 168 C VAL A 12 8.684 0.186 -17.287 1.00 50.42 C ATOM 169 O VAL A 12 8.479 0.630 -18.416 1.00 62.11 O ATOM 170 CB VAL A 12 10.241 1.578 -15.821 1.00 65.01 C ATOM 171 CG1 VAL A 12 11.038 1.676 -17.124 1.00 1.54 C ATOM 172 CG2 VAL A 12 10.271 2.904 -15.058 1.00 62.14 C ATOM 0 H VAL A 12 8.925 0.327 -14.160 1.00 71.21 H new ATOM 0 HA VAL A 12 8.238 2.034 -16.332 1.00 33.22 H new ATOM 0 HB VAL A 12 10.714 0.821 -15.195 1.00 65.01 H new ATOM 0 HG11 VAL A 12 12.057 1.994 -16.904 1.00 1.54 H new ATOM 0 HG12 VAL A 12 11.059 0.701 -17.612 1.00 1.54 H new ATOM 0 HG13 VAL A 12 10.566 2.402 -17.786 1.00 1.54 H new ATOM 0 HG21 VAL A 12 11.305 3.197 -14.879 1.00 62.14 H new ATOM 0 HG22 VAL A 12 9.772 3.674 -15.647 1.00 62.14 H new ATOM 0 HG23 VAL A 12 9.757 2.787 -14.104 1.00 62.14 H new ATOM 182 N ARG A 13 8.818 -1.100 -16.999 1.00 53.20 N ATOM 183 CA ARG A 13 8.728 -2.113 -18.037 1.00 41.41 C ATOM 184 C ARG A 13 7.299 -2.193 -18.578 1.00 21.42 C ATOM 185 O ARG A 13 7.094 -2.452 -19.763 1.00 33.13 O ATOM 186 CB ARG A 13 9.143 -3.486 -17.504 1.00 52.53 C ATOM 187 CG ARG A 13 10.523 -3.425 -16.847 1.00 43.43 C ATOM 188 CD ARG A 13 11.461 -2.500 -17.626 1.00 53.41 C ATOM 189 NE ARG A 13 11.497 -2.898 -19.051 1.00 34.31 N ATOM 190 CZ ARG A 13 12.070 -4.033 -19.505 1.00 74.11 C ATOM 191 NH1 ARG A 13 12.661 -4.893 -18.648 1.00 52.42 N ATOM 192 NH2 ARG A 13 12.043 -4.290 -20.800 1.00 3.43 N ATOM 0 H ARG A 13 8.988 -1.464 -16.062 1.00 53.20 H new ATOM 0 HA ARG A 13 9.408 -1.827 -18.840 1.00 41.41 H new ATOM 0 HB2 ARG A 13 8.407 -3.837 -16.780 1.00 52.53 H new ATOM 0 HB3 ARG A 13 9.157 -4.208 -18.320 1.00 52.53 H new ATOM 0 HG2 ARG A 13 10.426 -3.070 -15.821 1.00 43.43 H new ATOM 0 HG3 ARG A 13 10.951 -4.426 -16.799 1.00 43.43 H new ATOM 0 HD2 ARG A 13 11.123 -1.467 -17.537 1.00 53.41 H new ATOM 0 HD3 ARG A 13 12.464 -2.545 -17.202 1.00 53.41 H new ATOM 0 HE ARG A 13 11.062 -2.276 -19.732 1.00 34.31 H new ATOM 0 HH11 ARG A 13 12.677 -4.687 -17.649 1.00 52.42 H new ATOM 0 HH12 ARG A 13 13.092 -5.748 -19.000 1.00 52.42 H new ATOM 0 HH21 ARG A 13 11.594 -3.635 -21.441 1.00 3.43 H new ATOM 0 HH22 ARG A 13 12.471 -5.143 -21.160 1.00 3.43 H new ATOM 205 N HIS A 14 6.348 -1.967 -17.683 1.00 62.23 N ATOM 206 CA HIS A 14 4.944 -2.011 -18.056 1.00 25.11 C ATOM 207 C HIS A 14 4.575 -0.736 -18.816 1.00 0.41 C ATOM 208 O HIS A 14 3.874 -0.791 -19.825 1.00 50.11 O ATOM 209 CB HIS A 14 4.063 -2.246 -16.827 1.00 44.52 C ATOM 210 CG HIS A 14 2.711 -1.578 -16.905 1.00 72.52 C ATOM 211 ND1 HIS A 14 2.370 -0.259 -16.959 1.00 24.52 N flip ATOM 212 CD2 HIS A 14 1.524 -2.290 -16.934 1.00 54.01 C flip ATOM 213 CE1 HIS A 14 1.047 -0.170 -17.019 1.00 32.31 C flip ATOM 214 NE2 HIS A 14 0.521 -1.428 -17.003 1.00 53.21 N flip ATOM 0 H HIS A 14 6.522 -1.753 -16.701 1.00 62.23 H new ATOM 0 HA HIS A 14 4.767 -2.854 -18.724 1.00 25.11 H new ATOM 0 HB2 HIS A 14 3.920 -3.318 -16.695 1.00 44.52 H new ATOM 0 HB3 HIS A 14 4.586 -1.883 -15.943 1.00 44.52 H new ATOM 0 HD2 HIS A 14 1.432 -3.366 -16.905 1.00 54.01 H new ATOM 0 HE1 HIS A 14 0.480 0.748 -17.072 1.00 32.31 H new ATOM 0 HE2 HIS A 14 -0.471 -1.664 -17.038 1.00 53.21 H new ATOM 222 N VAL A 15 5.063 0.384 -18.302 1.00 24.52 N ATOM 223 CA VAL A 15 4.794 1.671 -18.919 1.00 75.12 C ATOM 224 C VAL A 15 5.503 1.741 -20.273 1.00 3.32 C ATOM 225 O VAL A 15 4.990 2.340 -21.216 1.00 51.44 O ATOM 226 CB VAL A 15 5.200 2.801 -17.972 1.00 10.35 C ATOM 227 CG1 VAL A 15 6.630 3.267 -18.255 1.00 34.22 C ATOM 228 CG2 VAL A 15 4.216 3.969 -18.058 1.00 14.45 C ATOM 0 H VAL A 15 5.644 0.426 -17.464 1.00 24.52 H new ATOM 0 HA VAL A 15 3.727 1.789 -19.105 1.00 75.12 H new ATOM 0 HB VAL A 15 5.170 2.412 -16.954 1.00 10.35 H new ATOM 0 HG11 VAL A 15 6.893 4.071 -17.568 1.00 34.22 H new ATOM 0 HG12 VAL A 15 7.318 2.433 -18.119 1.00 34.22 H new ATOM 0 HG13 VAL A 15 6.698 3.630 -19.281 1.00 34.22 H new ATOM 0 HG21 VAL A 15 4.528 4.759 -17.375 1.00 14.45 H new ATOM 0 HG22 VAL A 15 4.199 4.356 -19.077 1.00 14.45 H new ATOM 0 HG23 VAL A 15 3.219 3.625 -17.784 1.00 14.45 H new ATOM 238 N VAL A 16 6.673 1.121 -20.325 1.00 33.23 N ATOM 239 CA VAL A 16 7.458 1.106 -21.547 1.00 62.51 C ATOM 240 C VAL A 16 6.609 0.540 -22.687 1.00 54.10 C ATOM 241 O VAL A 16 6.661 1.037 -23.811 1.00 3.32 O ATOM 242 CB VAL A 16 8.756 0.326 -21.325 1.00 41.34 C ATOM 243 CG1 VAL A 16 9.304 -0.214 -22.648 1.00 1.51 C ATOM 244 CG2 VAL A 16 9.798 1.189 -20.611 1.00 44.12 C ATOM 0 H VAL A 16 7.096 0.625 -19.540 1.00 33.23 H new ATOM 0 HA VAL A 16 7.746 2.119 -21.828 1.00 62.51 H new ATOM 0 HB VAL A 16 8.530 -0.526 -20.684 1.00 41.34 H new ATOM 0 HG11 VAL A 16 10.226 -0.764 -22.462 1.00 1.51 H new ATOM 0 HG12 VAL A 16 8.570 -0.880 -23.101 1.00 1.51 H new ATOM 0 HG13 VAL A 16 9.507 0.617 -23.324 1.00 1.51 H new ATOM 0 HG21 VAL A 16 10.711 0.611 -20.465 1.00 44.12 H new ATOM 0 HG22 VAL A 16 10.018 2.069 -21.216 1.00 44.12 H new ATOM 0 HG23 VAL A 16 9.409 1.503 -19.642 1.00 44.12 H new ATOM 254 N ASP A 17 5.845 -0.492 -22.358 1.00 3.41 N ATOM 255 CA ASP A 17 4.986 -1.130 -23.340 1.00 73.11 C ATOM 256 C ASP A 17 3.798 -0.215 -23.643 1.00 52.25 C ATOM 257 O ASP A 17 3.205 -0.296 -24.718 1.00 64.24 O ATOM 258 CB ASP A 17 4.437 -2.457 -22.812 1.00 63.23 C ATOM 259 CG ASP A 17 4.472 -3.615 -23.812 1.00 54.44 C ATOM 260 OD1 ASP A 17 4.998 -3.480 -24.927 1.00 72.11 O ATOM 261 OD2 ASP A 17 3.921 -4.706 -23.402 1.00 33.43 O ATOM 0 H ASP A 17 5.804 -0.902 -21.425 1.00 3.41 H new ATOM 0 HA ASP A 17 5.578 -1.315 -24.236 1.00 73.11 H new ATOM 0 HB2 ASP A 17 5.007 -2.743 -21.928 1.00 63.23 H new ATOM 0 HB3 ASP A 17 3.406 -2.305 -22.491 1.00 63.23 H new ATOM 267 N ALA A 18 3.485 0.636 -22.677 1.00 30.42 N ATOM 268 CA ALA A 18 2.378 1.565 -22.827 1.00 4.31 C ATOM 269 C ALA A 18 2.654 2.492 -24.013 1.00 31.02 C ATOM 270 O ALA A 18 1.726 2.928 -24.693 1.00 65.32 O ATOM 271 CB ALA A 18 2.177 2.335 -21.520 1.00 21.20 C ATOM 0 H ALA A 18 3.979 0.702 -21.787 1.00 30.42 H new ATOM 0 HA ALA A 18 1.452 1.029 -23.035 1.00 4.31 H new ATOM 0 HB1 ALA A 18 1.347 3.032 -21.632 1.00 21.20 H new ATOM 0 HB2 ALA A 18 1.956 1.634 -20.715 1.00 21.20 H new ATOM 0 HB3 ALA A 18 3.085 2.888 -21.280 1.00 21.20 H new ATOM 277 N ILE A 19 3.933 2.766 -24.224 1.00 71.10 N ATOM 278 CA ILE A 19 4.342 3.633 -25.316 1.00 21.11 C ATOM 279 C ILE A 19 3.961 2.983 -26.648 1.00 4.04 C ATOM 280 O ILE A 19 3.779 3.673 -27.649 1.00 53.14 O ATOM 281 CB ILE A 19 5.829 3.974 -25.201 1.00 22.22 C ATOM 282 CG1 ILE A 19 6.086 4.919 -24.025 1.00 53.03 C ATOM 283 CG2 ILE A 19 6.366 4.538 -26.518 1.00 12.12 C ATOM 284 CD1 ILE A 19 7.054 4.293 -23.019 1.00 73.14 C ATOM 0 H ILE A 19 4.700 2.403 -23.657 1.00 71.10 H new ATOM 0 HA ILE A 19 3.815 4.586 -25.264 1.00 21.11 H new ATOM 0 HB ILE A 19 6.376 3.053 -24.999 1.00 22.22 H new ATOM 0 HG12 ILE A 19 6.496 5.860 -24.393 1.00 53.03 H new ATOM 0 HG13 ILE A 19 5.144 5.154 -23.530 1.00 53.03 H new ATOM 0 HG21 ILE A 19 7.425 4.772 -26.409 1.00 12.12 H new ATOM 0 HG22 ILE A 19 6.237 3.800 -27.309 1.00 12.12 H new ATOM 0 HG23 ILE A 19 5.819 5.445 -26.775 1.00 12.12 H new ATOM 0 HD11 ILE A 19 7.219 4.986 -22.194 1.00 73.14 H new ATOM 0 HD12 ILE A 19 6.630 3.365 -22.635 1.00 73.14 H new ATOM 0 HD13 ILE A 19 8.004 4.082 -23.511 1.00 73.14 H new ATOM 296 N GLY A 20 3.853 1.663 -26.616 1.00 20.03 N ATOM 297 CA GLY A 20 3.497 0.912 -27.808 1.00 3.21 C ATOM 298 C GLY A 20 2.026 0.495 -27.774 1.00 73.13 C ATOM 299 O GLY A 20 1.437 0.199 -28.813 1.00 30.41 O ATOM 0 H GLY A 20 4.006 1.094 -25.783 1.00 20.03 H new ATOM 0 HA2 GLY A 20 3.687 1.518 -28.694 1.00 3.21 H new ATOM 0 HA3 GLY A 20 4.128 0.027 -27.886 1.00 3.21 H new ATOM 303 N SER A 21 1.474 0.485 -26.570 1.00 32.01 N ATOM 304 CA SER A 21 0.082 0.109 -26.387 1.00 62.14 C ATOM 305 C SER A 21 -0.816 1.339 -26.535 1.00 21.14 C ATOM 306 O SER A 21 -2.026 1.211 -26.717 1.00 24.55 O ATOM 307 CB SER A 21 -0.136 -0.548 -25.023 1.00 15.31 C ATOM 308 OG SER A 21 1.013 -1.269 -24.587 1.00 52.12 O ATOM 0 H SER A 21 1.965 0.731 -25.711 1.00 32.01 H new ATOM 0 HA SER A 21 -0.180 -0.618 -27.156 1.00 62.14 H new ATOM 0 HB2 SER A 21 -0.384 0.217 -24.288 1.00 15.31 H new ATOM 0 HB3 SER A 21 -0.989 -1.225 -25.079 1.00 15.31 H new ATOM 0 HG SER A 21 1.696 -0.639 -24.276 1.00 52.12 H new ATOM 314 N VAL A 22 -0.189 2.503 -26.450 1.00 50.14 N ATOM 315 CA VAL A 22 -0.916 3.755 -26.572 1.00 13.20 C ATOM 316 C VAL A 22 -1.646 3.787 -27.916 1.00 55.41 C ATOM 317 O VAL A 22 -2.760 4.302 -28.010 1.00 3.14 O ATOM 318 CB VAL A 22 0.039 4.936 -26.382 1.00 35.51 C ATOM 319 CG1 VAL A 22 1.340 4.718 -27.157 1.00 12.33 C ATOM 320 CG2 VAL A 22 -0.629 6.251 -26.788 1.00 5.20 C ATOM 0 H VAL A 22 0.814 2.605 -26.298 1.00 50.14 H new ATOM 0 HA VAL A 22 -1.671 3.836 -25.790 1.00 13.20 H new ATOM 0 HB VAL A 22 0.288 5.000 -25.323 1.00 35.51 H new ATOM 0 HG11 VAL A 22 2.001 5.571 -27.005 1.00 12.33 H new ATOM 0 HG12 VAL A 22 1.829 3.812 -26.799 1.00 12.33 H new ATOM 0 HG13 VAL A 22 1.118 4.615 -28.219 1.00 12.33 H new ATOM 0 HG21 VAL A 22 0.071 7.074 -26.643 1.00 5.20 H new ATOM 0 HG22 VAL A 22 -0.920 6.202 -27.837 1.00 5.20 H new ATOM 0 HG23 VAL A 22 -1.514 6.415 -26.173 1.00 5.20 H new ATOM 330 N ALA A 23 -0.990 3.231 -28.923 1.00 60.24 N ATOM 331 CA ALA A 23 -1.563 3.189 -30.258 1.00 42.42 C ATOM 332 C ALA A 23 -2.712 2.180 -30.284 1.00 13.00 C ATOM 333 O ALA A 23 -3.532 2.191 -31.201 1.00 14.13 O ATOM 334 CB ALA A 23 -0.469 2.853 -31.273 1.00 64.02 C ATOM 0 H ALA A 23 -0.067 2.805 -28.842 1.00 60.24 H new ATOM 0 HA ALA A 23 -1.973 4.162 -30.530 1.00 42.42 H new ATOM 0 HB1 ALA A 23 -0.899 2.821 -32.274 1.00 64.02 H new ATOM 0 HB2 ALA A 23 0.309 3.616 -31.236 1.00 64.02 H new ATOM 0 HB3 ALA A 23 -0.036 1.882 -31.033 1.00 64.02 H new ATOM 340 N GLY A 24 -2.735 1.331 -29.267 1.00 13.43 N ATOM 341 CA GLY A 24 -3.771 0.317 -29.161 1.00 43.52 C ATOM 342 C GLY A 24 -4.639 0.547 -27.922 1.00 65.21 C ATOM 343 O GLY A 24 -5.352 -0.354 -27.484 1.00 71.32 O ATOM 0 H GLY A 24 -2.053 1.324 -28.509 1.00 13.43 H new ATOM 0 HA2 GLY A 24 -4.395 0.335 -30.055 1.00 43.52 H new ATOM 0 HA3 GLY A 24 -3.314 -0.671 -29.111 1.00 43.52 H new ATOM 347 N ILE A 25 -4.549 1.758 -27.392 1.00 62.30 N ATOM 348 CA ILE A 25 -5.317 2.117 -26.212 1.00 61.10 C ATOM 349 C ILE A 25 -5.754 3.579 -26.319 1.00 52.21 C ATOM 350 O ILE A 25 -6.945 3.881 -26.257 1.00 31.20 O ATOM 351 CB ILE A 25 -4.525 1.803 -24.941 1.00 42.42 C ATOM 352 CG1 ILE A 25 -4.600 0.313 -24.602 1.00 11.43 C ATOM 353 CG2 ILE A 25 -4.987 2.681 -23.776 1.00 74.13 C ATOM 354 CD1 ILE A 25 -3.235 -0.357 -24.768 1.00 42.35 C ATOM 0 H ILE A 25 -3.956 2.503 -27.758 1.00 62.30 H new ATOM 0 HA ILE A 25 -6.224 1.516 -26.151 1.00 61.10 H new ATOM 0 HB ILE A 25 -3.477 2.038 -25.125 1.00 42.42 H new ATOM 0 HG12 ILE A 25 -4.949 0.187 -23.577 1.00 11.43 H new ATOM 0 HG13 ILE A 25 -5.329 -0.174 -25.249 1.00 11.43 H new ATOM 0 HG21 ILE A 25 -4.408 2.438 -22.885 1.00 74.13 H new ATOM 0 HG22 ILE A 25 -4.838 3.730 -24.030 1.00 74.13 H new ATOM 0 HG23 ILE A 25 -6.044 2.501 -23.582 1.00 74.13 H new ATOM 0 HD11 ILE A 25 -3.317 -1.415 -24.521 1.00 42.35 H new ATOM 0 HD12 ILE A 25 -2.900 -0.250 -25.800 1.00 42.35 H new ATOM 0 HD13 ILE A 25 -2.514 0.117 -24.102 1.00 42.35 H new ATOM 366 N ARG A 26 -4.767 4.449 -26.478 1.00 72.52 N ATOM 367 CA ARG A 26 -5.035 5.872 -26.595 1.00 31.14 C ATOM 368 C ARG A 26 -5.705 6.178 -27.936 1.00 1.24 C ATOM 369 O ARG A 26 -6.581 7.038 -28.014 1.00 2.20 O ATOM 370 CB ARG A 26 -3.745 6.686 -26.479 1.00 11.41 C ATOM 371 CG ARG A 26 -4.017 8.177 -26.692 1.00 2.04 C ATOM 372 CD ARG A 26 -3.697 8.593 -28.129 1.00 2.12 C ATOM 373 NE ARG A 26 -3.649 10.069 -28.230 1.00 21.23 N ATOM 374 CZ ARG A 26 -3.343 10.741 -29.360 1.00 23.41 C ATOM 375 NH1 ARG A 26 -3.054 10.073 -30.497 1.00 60.21 N ATOM 376 NH2 ARG A 26 -3.330 12.060 -29.336 1.00 44.44 N ATOM 0 H ARG A 26 -3.780 4.195 -26.529 1.00 72.52 H new ATOM 0 HA ARG A 26 -5.703 6.152 -25.780 1.00 31.14 H new ATOM 0 HB2 ARG A 26 -3.300 6.531 -25.496 1.00 11.41 H new ATOM 0 HB3 ARG A 26 -3.022 6.336 -27.216 1.00 11.41 H new ATOM 0 HG2 ARG A 26 -5.062 8.395 -26.471 1.00 2.04 H new ATOM 0 HG3 ARG A 26 -3.415 8.763 -25.997 1.00 2.04 H new ATOM 0 HD2 ARG A 26 -2.741 8.168 -28.435 1.00 2.12 H new ATOM 0 HD3 ARG A 26 -4.453 8.198 -28.808 1.00 2.12 H new ATOM 0 HE ARG A 26 -3.860 10.612 -27.393 1.00 21.23 H new ATOM 0 HH11 ARG A 26 -3.066 9.053 -30.506 1.00 60.21 H new ATOM 0 HH12 ARG A 26 -2.824 10.588 -31.347 1.00 60.21 H new ATOM 0 HH21 ARG A 26 -3.549 12.557 -28.472 1.00 44.44 H new ATOM 0 HH22 ARG A 26 -3.101 12.583 -30.181 1.00 44.44 H new ATOM 389 N GLY A 27 -5.267 5.457 -28.958 1.00 14.44 N ATOM 390 CA GLY A 27 -5.814 5.641 -30.291 1.00 43.34 C ATOM 391 C GLY A 27 -7.254 5.132 -30.369 1.00 15.11 C ATOM 392 O GLY A 27 -8.108 5.766 -30.987 1.00 72.01 O ATOM 0 H GLY A 27 -4.540 4.745 -28.889 1.00 14.44 H new ATOM 0 HA2 GLY A 27 -5.783 6.697 -30.558 1.00 43.34 H new ATOM 0 HA3 GLY A 27 -5.198 5.111 -31.017 1.00 43.34 H new ATOM 396 N ILE A 28 -7.480 3.992 -29.732 1.00 54.25 N ATOM 397 CA ILE A 28 -8.803 3.391 -29.721 1.00 71.35 C ATOM 398 C ILE A 28 -9.686 4.129 -28.714 1.00 53.50 C ATOM 399 O ILE A 28 -10.910 4.010 -28.751 1.00 41.44 O ATOM 400 CB ILE A 28 -8.705 1.885 -29.466 1.00 1.44 C ATOM 401 CG1 ILE A 28 -8.705 1.583 -27.966 1.00 10.13 C ATOM 402 CG2 ILE A 28 -7.486 1.288 -30.171 1.00 23.23 C ATOM 403 CD1 ILE A 28 -8.755 0.075 -27.710 1.00 42.42 C ATOM 0 H ILE A 28 -6.769 3.469 -29.220 1.00 54.25 H new ATOM 0 HA ILE A 28 -9.277 3.496 -30.697 1.00 71.35 H new ATOM 0 HB ILE A 28 -9.588 1.408 -29.891 1.00 1.44 H new ATOM 0 HG12 ILE A 28 -7.811 2.004 -27.507 1.00 10.13 H new ATOM 0 HG13 ILE A 28 -9.562 2.064 -27.495 1.00 10.13 H new ATOM 0 HG21 ILE A 28 -7.440 0.217 -29.974 1.00 23.23 H new ATOM 0 HG22 ILE A 28 -7.568 1.456 -31.245 1.00 23.23 H new ATOM 0 HG23 ILE A 28 -6.580 1.765 -29.798 1.00 23.23 H new ATOM 0 HD11 ILE A 28 -8.754 -0.112 -26.636 1.00 42.42 H new ATOM 0 HD12 ILE A 28 -9.663 -0.339 -28.150 1.00 42.42 H new ATOM 0 HD13 ILE A 28 -7.884 -0.400 -28.162 1.00 42.42 H new ATOM 415 N LEU A 29 -9.031 4.876 -27.837 1.00 54.43 N ATOM 416 CA LEU A 29 -9.742 5.634 -26.821 1.00 42.55 C ATOM 417 C LEU A 29 -10.683 6.632 -27.500 1.00 63.34 C ATOM 418 O LEU A 29 -11.741 6.956 -26.964 1.00 72.13 O ATOM 419 CB LEU A 29 -8.755 6.284 -25.849 1.00 63.05 C ATOM 420 CG LEU A 29 -8.993 6.004 -24.364 1.00 71.23 C ATOM 421 CD1 LEU A 29 -10.107 6.894 -23.810 1.00 40.34 C ATOM 422 CD2 LEU A 29 -9.274 4.519 -24.125 1.00 23.04 C ATOM 0 H LEU A 29 -8.016 4.973 -27.809 1.00 54.43 H new ATOM 0 HA LEU A 29 -10.361 4.972 -26.216 1.00 42.55 H new ATOM 0 HB2 LEU A 29 -7.750 5.949 -26.105 1.00 63.05 H new ATOM 0 HB3 LEU A 29 -8.781 7.363 -26.004 1.00 63.05 H new ATOM 0 HG LEU A 29 -8.082 6.252 -23.819 1.00 71.23 H new ATOM 0 HD11 LEU A 29 -10.256 6.675 -22.753 1.00 40.34 H new ATOM 0 HD12 LEU A 29 -9.829 7.941 -23.928 1.00 40.34 H new ATOM 0 HD13 LEU A 29 -11.031 6.701 -24.354 1.00 40.34 H new ATOM 0 HD21 LEU A 29 -9.440 4.347 -23.062 1.00 23.04 H new ATOM 0 HD22 LEU A 29 -10.162 4.222 -24.683 1.00 23.04 H new ATOM 0 HD23 LEU A 29 -8.421 3.929 -24.460 1.00 23.04 H new ATOM 434 N LYS A 30 -10.263 7.091 -28.670 1.00 63.53 N ATOM 435 CA LYS A 30 -11.055 8.044 -29.428 1.00 43.31 C ATOM 436 C LYS A 30 -12.361 7.381 -29.867 1.00 74.34 C ATOM 437 O LYS A 30 -13.280 8.056 -30.330 1.00 63.30 O ATOM 438 CB LYS A 30 -10.237 8.619 -30.587 1.00 31.03 C ATOM 439 CG LYS A 30 -9.997 7.561 -31.666 1.00 1.31 C ATOM 440 CD LYS A 30 -10.967 7.741 -32.835 1.00 42.34 C ATOM 441 CE LYS A 30 -10.260 8.360 -34.043 1.00 53.12 C ATOM 442 NZ LYS A 30 -11.182 9.251 -34.782 1.00 52.25 N ATOM 0 H LYS A 30 -9.384 6.820 -29.111 1.00 63.53 H new ATOM 0 HA LYS A 30 -11.324 8.896 -28.804 1.00 43.31 H new ATOM 0 HB2 LYS A 30 -10.761 9.472 -31.019 1.00 31.03 H new ATOM 0 HB3 LYS A 30 -9.281 8.987 -30.215 1.00 31.03 H new ATOM 0 HG2 LYS A 30 -8.971 7.630 -32.026 1.00 1.31 H new ATOM 0 HG3 LYS A 30 -10.118 6.566 -31.238 1.00 1.31 H new ATOM 0 HD2 LYS A 30 -11.391 6.776 -33.112 1.00 42.34 H new ATOM 0 HD3 LYS A 30 -11.797 8.378 -32.529 1.00 42.34 H new ATOM 0 HE2 LYS A 30 -9.388 8.923 -33.712 1.00 53.12 H new ATOM 0 HE3 LYS A 30 -9.899 7.572 -34.704 1.00 53.12 H new ATOM 0 HZ1 LYS A 30 -10.687 9.663 -35.599 1.00 52.25 H new ATOM 0 HZ2 LYS A 30 -12.002 8.704 -35.114 1.00 52.25 H new ATOM 0 HZ3 LYS A 30 -11.506 10.013 -34.153 1.00 52.25 H new ATOM 455 N SER A 31 -12.403 6.066 -29.707 1.00 13.20 N ATOM 456 CA SER A 31 -13.582 5.304 -30.081 1.00 73.32 C ATOM 457 C SER A 31 -14.434 5.015 -28.843 1.00 43.41 C ATOM 458 O SER A 31 -15.571 4.563 -28.959 1.00 75.34 O ATOM 459 CB SER A 31 -13.195 3.996 -30.775 1.00 53.44 C ATOM 460 OG SER A 31 -14.314 3.371 -31.398 1.00 52.11 O ATOM 0 H SER A 31 -11.639 5.509 -29.323 1.00 13.20 H new ATOM 0 HA SER A 31 -14.164 5.899 -30.784 1.00 73.32 H new ATOM 0 HB2 SER A 31 -12.428 4.196 -31.523 1.00 53.44 H new ATOM 0 HB3 SER A 31 -12.758 3.314 -30.045 1.00 53.44 H new ATOM 0 HG SER A 31 -15.116 3.519 -30.854 1.00 52.11 H new ATOM 466 N ILE A 32 -13.850 5.290 -27.686 1.00 22.51 N ATOM 467 CA ILE A 32 -14.541 5.065 -26.427 1.00 44.33 C ATOM 468 C ILE A 32 -15.109 6.392 -25.919 1.00 70.31 C ATOM 469 O ILE A 32 -16.226 6.437 -25.406 1.00 71.42 O ATOM 470 CB ILE A 32 -13.617 4.368 -25.426 1.00 73.02 C ATOM 471 CG1 ILE A 32 -12.588 3.495 -26.146 1.00 63.41 C ATOM 472 CG2 ILE A 32 -14.424 3.573 -24.398 1.00 14.03 C ATOM 473 CD1 ILE A 32 -13.264 2.317 -26.850 1.00 73.22 C ATOM 0 H ILE A 32 -12.907 5.666 -27.594 1.00 22.51 H new ATOM 0 HA ILE A 32 -15.385 4.390 -26.570 1.00 44.33 H new ATOM 0 HB ILE A 32 -13.065 5.133 -24.880 1.00 73.02 H new ATOM 0 HG12 ILE A 32 -12.044 4.095 -26.875 1.00 63.41 H new ATOM 0 HG13 ILE A 32 -11.856 3.123 -25.429 1.00 63.41 H new ATOM 0 HG21 ILE A 32 -13.744 3.087 -23.698 1.00 14.03 H new ATOM 0 HG22 ILE A 32 -15.084 4.248 -23.853 1.00 14.03 H new ATOM 0 HG23 ILE A 32 -15.020 2.817 -24.909 1.00 14.03 H new ATOM 0 HD11 ILE A 32 -12.510 1.713 -27.354 1.00 73.22 H new ATOM 0 HD12 ILE A 32 -13.787 1.705 -26.115 1.00 73.22 H new ATOM 0 HD13 ILE A 32 -13.978 2.692 -27.584 1.00 73.22 H new ATOM 485 N ARG A 33 -14.314 7.440 -26.079 1.00 72.54 N ATOM 486 CA ARG A 33 -14.724 8.764 -25.643 1.00 72.42 C ATOM 487 C ARG A 33 -14.852 8.805 -24.119 1.00 64.51 C ATOM 488 O ARG A 33 -15.931 8.573 -23.576 1.00 41.24 O ATOM 489 CB ARG A 33 -16.062 9.161 -26.271 1.00 22.52 C ATOM 490 CG ARG A 33 -15.849 10.024 -27.516 1.00 64.30 C ATOM 491 CD ARG A 33 -15.122 11.323 -27.164 1.00 51.53 C ATOM 492 NE ARG A 33 -13.938 11.493 -28.035 1.00 63.14 N ATOM 493 CZ ARG A 33 -13.296 12.666 -28.220 1.00 65.00 C ATOM 494 NH1 ARG A 33 -13.719 13.785 -27.595 1.00 32.24 N ATOM 495 NH2 ARG A 33 -12.247 12.703 -29.021 1.00 73.44 N ATOM 0 H ARG A 33 -13.388 7.399 -26.505 1.00 72.54 H new ATOM 0 HA ARG A 33 -13.960 9.471 -25.966 1.00 72.42 H new ATOM 0 HB2 ARG A 33 -16.623 8.265 -26.537 1.00 22.52 H new ATOM 0 HB3 ARG A 33 -16.661 9.708 -25.543 1.00 22.52 H new ATOM 0 HG2 ARG A 33 -15.271 9.468 -28.254 1.00 64.30 H new ATOM 0 HG3 ARG A 33 -16.812 10.254 -27.973 1.00 64.30 H new ATOM 0 HD2 ARG A 33 -15.797 12.171 -27.284 1.00 51.53 H new ATOM 0 HD3 ARG A 33 -14.815 11.306 -26.118 1.00 51.53 H new ATOM 0 HE ARG A 33 -13.585 10.672 -28.527 1.00 63.14 H new ATOM 0 HH11 ARG A 33 -14.530 13.749 -26.977 1.00 32.24 H new ATOM 0 HH12 ARG A 33 -13.228 14.667 -27.741 1.00 32.24 H new ATOM 0 HH21 ARG A 33 -11.933 11.853 -29.489 1.00 73.44 H new ATOM 0 HH22 ARG A 33 -11.751 13.581 -29.171 1.00 73.44 H new TER 508 ARG A 33