USER MOD reduce.3.24.130724 H: found=0, std=0, add=269, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 265 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 Set 1.1: A 2 TYR OH : rot 165:sc= -0.976 USER MOD Set 1.2: A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 LYS N :NH3+ 143:sc=-0.00784 (180deg=-0.115) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 HIS : no HD1:sc= -1.73 K(o=-1.7,f=-5.3!) USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot -43:sc= 0.0117 USER MOD Single : A 16 HIS : no HD1:sc= -0.146 K(o=-0.15,f=-1.5) USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 1.046 -1.117 0.724 1.00 41.54 N ATOM 2 CA LYS A 1 1.998 -0.835 -0.344 1.00 63.22 C ATOM 3 C LYS A 1 2.938 -2.017 -0.560 1.00 43.13 C ATOM 4 O LYS A 1 4.135 -1.837 -0.787 1.00 60.12 O ATOM 5 CB LYS A 1 2.808 0.421 -0.015 1.00 62.05 C ATOM 6 CG LYS A 1 2.027 1.712 -0.193 1.00 24.35 C ATOM 7 CD LYS A 1 2.880 2.928 0.130 1.00 34.42 C ATOM 8 CE LYS A 1 2.381 4.167 -0.598 1.00 30.35 C ATOM 9 NZ LYS A 1 2.365 5.362 0.290 1.00 44.51 N ATOM 0 H1 LYS A 1 0.873 -0.251 1.273 1.00 41.54 H new ATOM 0 H2 LYS A 1 0.151 -1.450 0.312 1.00 41.54 H new ATOM 0 H3 LYS A 1 1.434 -1.852 1.350 1.00 41.54 H new ATOM 0 HA LYS A 1 1.436 -0.667 -1.263 1.00 63.22 H new ATOM 0 HB2 LYS A 1 3.159 0.357 1.015 1.00 62.05 H new ATOM 0 HB3 LYS A 1 3.692 0.450 -0.652 1.00 62.05 H new ATOM 0 HG2 LYS A 1 1.666 1.782 -1.219 1.00 24.35 H new ATOM 0 HG3 LYS A 1 1.149 1.700 0.453 1.00 24.35 H new ATOM 0 HD2 LYS A 1 2.868 3.107 1.205 1.00 34.42 H new ATOM 0 HD3 LYS A 1 3.915 2.732 -0.150 1.00 34.42 H new ATOM 0 HE2 LYS A 1 3.019 4.363 -1.460 1.00 30.35 H new ATOM 0 HE3 LYS A 1 1.376 3.984 -0.980 1.00 30.35 H new ATOM 0 HZ1 LYS A 1 2.019 6.186 -0.243 1.00 44.51 H new ATOM 0 HZ2 LYS A 1 1.737 5.184 1.100 1.00 44.51 H new ATOM 0 HZ3 LYS A 1 3.328 5.552 0.634 1.00 44.51 H new ATOM 23 N TYR A 2 2.389 -3.224 -0.490 1.00 21.32 N ATOM 24 CA TYR A 2 3.179 -4.435 -0.677 1.00 21.42 C ATOM 25 C TYR A 2 2.666 -5.242 -1.866 1.00 65.00 C ATOM 26 O TYR A 2 3.405 -6.025 -2.463 1.00 13.13 O ATOM 27 CB TYR A 2 3.143 -5.293 0.589 1.00 24.30 C ATOM 28 CG TYR A 2 4.294 -6.268 0.692 1.00 25.24 C ATOM 29 CD1 TYR A 2 5.320 -6.067 1.608 1.00 64.32 C ATOM 30 CD2 TYR A 2 4.357 -7.389 -0.126 1.00 31.54 C ATOM 31 CE1 TYR A 2 6.375 -6.955 1.705 1.00 14.25 C ATOM 32 CE2 TYR A 2 5.406 -8.283 -0.034 1.00 23.12 C ATOM 33 CZ TYR A 2 6.413 -8.061 0.883 1.00 73.40 C ATOM 34 OH TYR A 2 7.461 -8.948 0.976 1.00 34.45 O ATOM 0 H TYR A 2 1.400 -3.390 -0.305 1.00 21.32 H new ATOM 0 HA TYR A 2 4.209 -4.139 -0.879 1.00 21.42 H new ATOM 0 HB2 TYR A 2 3.152 -4.639 1.461 1.00 24.30 H new ATOM 0 HB3 TYR A 2 2.205 -5.847 0.616 1.00 24.30 H new ATOM 0 HD1 TYR A 2 5.292 -5.203 2.255 1.00 64.32 H new ATOM 0 HD2 TYR A 2 3.572 -7.565 -0.847 1.00 31.54 H new ATOM 0 HE1 TYR A 2 7.165 -6.783 2.421 1.00 14.25 H new ATOM 0 HE2 TYR A 2 5.438 -9.151 -0.676 1.00 23.12 H new ATOM 0 HH TYR A 2 7.228 -9.780 0.514 1.00 34.45 H new ATOM 44 N GLU A 3 1.396 -5.043 -2.204 1.00 62.31 N ATOM 45 CA GLU A 3 0.784 -5.752 -3.322 1.00 21.12 C ATOM 46 C GLU A 3 1.736 -5.816 -4.513 1.00 23.15 C ATOM 47 O GLU A 3 2.365 -6.845 -4.763 1.00 4.41 O ATOM 48 CB GLU A 3 -0.521 -5.068 -3.735 1.00 31.53 C ATOM 49 CG GLU A 3 -1.699 -5.415 -2.840 1.00 11.44 C ATOM 50 CD GLU A 3 -2.975 -4.710 -3.256 1.00 54.14 C ATOM 51 OE1 GLU A 3 -4.010 -4.912 -2.587 1.00 20.33 O ATOM 52 OE2 GLU A 3 -2.940 -3.957 -4.252 1.00 10.43 O ATOM 0 H GLU A 3 0.771 -4.398 -1.720 1.00 62.31 H new ATOM 0 HA GLU A 3 0.566 -6.770 -2.998 1.00 21.12 H new ATOM 0 HB2 GLU A 3 -0.374 -3.988 -3.726 1.00 31.53 H new ATOM 0 HB3 GLU A 3 -0.760 -5.349 -4.761 1.00 31.53 H new ATOM 0 HG2 GLU A 3 -1.861 -6.493 -2.860 1.00 11.44 H new ATOM 0 HG3 GLU A 3 -1.460 -5.148 -1.811 1.00 11.44 H new ATOM 59 N ILE A 4 1.836 -4.711 -5.243 1.00 11.41 N ATOM 60 CA ILE A 4 2.711 -4.641 -6.406 1.00 40.44 C ATOM 61 C ILE A 4 3.538 -3.359 -6.396 1.00 75.24 C ATOM 62 O ILE A 4 4.675 -3.336 -6.869 1.00 33.24 O ATOM 63 CB ILE A 4 1.909 -4.710 -7.719 1.00 72.53 C ATOM 64 CG1 ILE A 4 2.853 -4.880 -8.911 1.00 61.21 C ATOM 65 CG2 ILE A 4 1.056 -3.462 -7.886 1.00 10.41 C ATOM 66 CD1 ILE A 4 2.200 -4.594 -10.245 1.00 71.01 C ATOM 0 H ILE A 4 1.322 -3.852 -5.050 1.00 11.41 H new ATOM 0 HA ILE A 4 3.378 -5.502 -6.351 1.00 40.44 H new ATOM 0 HB ILE A 4 1.247 -5.575 -7.677 1.00 72.53 H new ATOM 0 HG12 ILE A 4 3.708 -4.216 -8.784 1.00 61.21 H new ATOM 0 HG13 ILE A 4 3.239 -5.899 -8.916 1.00 61.21 H new ATOM 0 HG21 ILE A 4 0.496 -3.526 -8.819 1.00 10.41 H new ATOM 0 HG22 ILE A 4 0.361 -3.382 -7.050 1.00 10.41 H new ATOM 0 HG23 ILE A 4 1.699 -2.582 -7.909 1.00 10.41 H new ATOM 0 HD11 ILE A 4 2.928 -4.734 -11.044 1.00 71.01 H new ATOM 0 HD12 ILE A 4 1.362 -5.275 -10.394 1.00 71.01 H new ATOM 0 HD13 ILE A 4 1.839 -3.566 -10.260 1.00 71.01 H new ATOM 78 N THR A 5 2.959 -2.292 -5.853 1.00 61.51 N ATOM 79 CA THR A 5 3.642 -1.007 -5.780 1.00 53.23 C ATOM 80 C THR A 5 5.103 -1.182 -5.383 1.00 50.12 C ATOM 81 O THR A 5 5.974 -0.436 -5.833 1.00 73.22 O ATOM 82 CB THR A 5 2.957 -0.064 -4.773 1.00 42.41 C ATOM 83 OG1 THR A 5 3.450 1.270 -4.938 1.00 5.50 O ATOM 84 CG2 THR A 5 3.202 -0.527 -3.345 1.00 73.41 C ATOM 0 H THR A 5 2.019 -2.293 -5.458 1.00 61.51 H new ATOM 0 HA THR A 5 3.590 -0.564 -6.775 1.00 53.23 H new ATOM 0 HB THR A 5 1.884 -0.081 -4.965 1.00 42.41 H new ATOM 0 HG1 THR A 5 3.009 1.864 -4.295 1.00 5.50 H new ATOM 0 HG21 THR A 5 2.709 0.154 -2.652 1.00 73.41 H new ATOM 0 HG22 THR A 5 2.800 -1.532 -3.214 1.00 73.41 H new ATOM 0 HG23 THR A 5 4.273 -0.536 -3.144 1.00 73.41 H new ATOM 92 N THR A 6 5.367 -2.173 -4.537 1.00 50.21 N ATOM 93 CA THR A 6 6.723 -2.446 -4.079 1.00 3.42 C ATOM 94 C THR A 6 7.154 -3.861 -4.446 1.00 74.12 C ATOM 95 O THR A 6 8.346 -4.147 -4.563 1.00 54.31 O ATOM 96 CB THR A 6 6.849 -2.262 -2.555 1.00 32.44 C ATOM 97 OG1 THR A 6 7.248 -0.921 -2.254 1.00 3.33 O ATOM 98 CG2 THR A 6 7.859 -3.240 -1.973 1.00 71.24 C ATOM 0 H THR A 6 4.659 -2.800 -4.155 1.00 50.21 H new ATOM 0 HA THR A 6 7.375 -1.730 -4.579 1.00 3.42 H new ATOM 0 HB THR A 6 5.875 -2.460 -2.106 1.00 32.44 H new ATOM 0 HG1 THR A 6 7.324 -0.812 -1.283 1.00 3.33 H new ATOM 0 HG21 THR A 6 7.931 -3.091 -0.896 1.00 71.24 H new ATOM 0 HG22 THR A 6 7.536 -4.261 -2.177 1.00 71.24 H new ATOM 0 HG23 THR A 6 8.835 -3.070 -2.429 1.00 71.24 H new ATOM 106 N ILE A 7 6.177 -4.743 -4.628 1.00 35.13 N ATOM 107 CA ILE A 7 6.455 -6.129 -4.984 1.00 4.21 C ATOM 108 C ILE A 7 7.377 -6.210 -6.196 1.00 4.02 C ATOM 109 O ILE A 7 8.265 -7.061 -6.258 1.00 3.00 O ATOM 110 CB ILE A 7 5.159 -6.904 -5.286 1.00 64.10 C ATOM 111 CG1 ILE A 7 5.157 -8.244 -4.548 1.00 23.31 C ATOM 112 CG2 ILE A 7 5.007 -7.118 -6.785 1.00 25.24 C ATOM 113 CD1 ILE A 7 5.284 -8.108 -3.047 1.00 15.43 C ATOM 0 H ILE A 7 5.186 -4.522 -4.535 1.00 35.13 H new ATOM 0 HA ILE A 7 6.948 -6.583 -4.124 1.00 4.21 H new ATOM 0 HB ILE A 7 4.311 -6.316 -4.935 1.00 64.10 H new ATOM 0 HG12 ILE A 7 4.234 -8.776 -4.780 1.00 23.31 H new ATOM 0 HG13 ILE A 7 5.979 -8.856 -4.920 1.00 23.31 H new ATOM 0 HG21 ILE A 7 4.086 -7.667 -6.983 1.00 25.24 H new ATOM 0 HG22 ILE A 7 4.969 -6.152 -7.288 1.00 25.24 H new ATOM 0 HG23 ILE A 7 5.857 -7.688 -7.159 1.00 25.24 H new ATOM 0 HD11 ILE A 7 5.275 -9.098 -2.590 1.00 15.43 H new ATOM 0 HD12 ILE A 7 6.220 -7.605 -2.805 1.00 15.43 H new ATOM 0 HD13 ILE A 7 4.448 -7.524 -2.663 1.00 15.43 H new ATOM 125 N HIS A 8 7.162 -5.318 -7.157 1.00 50.33 N ATOM 126 CA HIS A 8 7.976 -5.287 -8.368 1.00 15.55 C ATOM 127 C HIS A 8 9.457 -5.162 -8.023 1.00 53.24 C ATOM 128 O HIS A 8 10.320 -5.561 -8.803 1.00 45.21 O ATOM 129 CB HIS A 8 7.549 -4.124 -9.264 1.00 73.24 C ATOM 130 CG HIS A 8 7.934 -2.780 -8.727 1.00 60.32 C ATOM 131 ND1 HIS A 8 7.991 -2.497 -7.379 1.00 11.21 N ATOM 132 CD2 HIS A 8 8.285 -1.639 -9.365 1.00 74.12 C ATOM 133 CE1 HIS A 8 8.358 -1.239 -7.211 1.00 21.02 C ATOM 134 NE2 HIS A 8 8.543 -0.696 -8.401 1.00 20.32 N ATOM 0 H HIS A 8 6.432 -4.607 -7.121 1.00 50.33 H new ATOM 0 HA HIS A 8 7.824 -6.224 -8.904 1.00 15.55 H new ATOM 0 HB2 HIS A 8 7.995 -4.253 -10.250 1.00 73.24 H new ATOM 0 HB3 HIS A 8 6.468 -4.157 -9.397 1.00 73.24 H new ATOM 0 HD2 HIS A 8 8.350 -1.497 -10.434 1.00 74.12 H new ATOM 0 HE1 HIS A 8 8.485 -0.739 -6.262 1.00 21.02 H new ATOM 0 HE2 HIS A 8 8.831 0.267 -8.575 1.00 20.32 H new ATOM 142 N ASN A 9 9.742 -4.605 -6.851 1.00 10.41 N ATOM 143 CA ASN A 9 11.119 -4.426 -6.404 1.00 72.04 C ATOM 144 C ASN A 9 11.625 -5.675 -5.689 1.00 61.04 C ATOM 145 O ASN A 9 12.806 -6.016 -5.773 1.00 11.14 O ATOM 146 CB ASN A 9 11.222 -3.215 -5.475 1.00 25.23 C ATOM 147 CG ASN A 9 12.659 -2.872 -5.130 1.00 51.04 C ATOM 148 OD1 ASN A 9 13.243 -3.447 -4.212 1.00 1.23 O ATOM 149 ND2 ASN A 9 13.235 -1.930 -5.868 1.00 62.23 N ATOM 0 H ASN A 9 9.038 -4.270 -6.193 1.00 10.41 H new ATOM 0 HA ASN A 9 11.741 -4.255 -7.283 1.00 72.04 H new ATOM 0 HB2 ASN A 9 10.750 -2.355 -5.950 1.00 25.23 H new ATOM 0 HB3 ASN A 9 10.669 -3.416 -4.558 1.00 25.23 H new ATOM 0 HD21 ASN A 9 14.200 -1.657 -5.683 1.00 62.23 H new ATOM 0 HD22 ASN A 9 12.712 -1.480 -6.619 1.00 62.23 H new ATOM 156 N LEU A 10 10.725 -6.354 -4.988 1.00 34.14 N ATOM 157 CA LEU A 10 11.079 -7.567 -4.258 1.00 11.41 C ATOM 158 C LEU A 10 10.916 -8.800 -5.140 1.00 34.30 C ATOM 159 O LEU A 10 11.437 -9.871 -4.830 1.00 65.51 O ATOM 160 CB LEU A 10 10.212 -7.703 -3.005 1.00 22.11 C ATOM 161 CG LEU A 10 9.580 -9.076 -2.772 1.00 41.13 C ATOM 162 CD1 LEU A 10 9.193 -9.245 -1.311 1.00 43.32 C ATOM 163 CD2 LEU A 10 8.367 -9.264 -3.672 1.00 64.01 C ATOM 0 H LEU A 10 9.744 -6.086 -4.909 1.00 34.14 H new ATOM 0 HA LEU A 10 12.125 -7.491 -3.962 1.00 11.41 H new ATOM 0 HB2 LEU A 10 10.822 -7.454 -2.137 1.00 22.11 H new ATOM 0 HB3 LEU A 10 9.414 -6.962 -3.057 1.00 22.11 H new ATOM 0 HG LEU A 10 10.316 -9.840 -3.022 1.00 41.13 H new ATOM 0 HD11 LEU A 10 8.745 -10.228 -1.165 1.00 43.32 H new ATOM 0 HD12 LEU A 10 10.082 -9.155 -0.686 1.00 43.32 H new ATOM 0 HD13 LEU A 10 8.475 -8.474 -1.033 1.00 43.32 H new ATOM 0 HD21 LEU A 10 7.930 -10.246 -3.493 1.00 64.01 H new ATOM 0 HD22 LEU A 10 7.629 -8.493 -3.453 1.00 64.01 H new ATOM 0 HD23 LEU A 10 8.673 -9.188 -4.715 1.00 64.01 H new ATOM 175 N PHE A 11 10.189 -8.642 -6.242 1.00 4.34 N ATOM 176 CA PHE A 11 9.958 -9.742 -7.170 1.00 22.31 C ATOM 177 C PHE A 11 11.249 -10.512 -7.433 1.00 21.21 C ATOM 178 O PHE A 11 12.186 -9.987 -8.035 1.00 72.22 O ATOM 179 CB PHE A 11 9.388 -9.214 -8.488 1.00 63.51 C ATOM 180 CG PHE A 11 7.893 -9.320 -8.580 1.00 31.42 C ATOM 181 CD1 PHE A 11 7.183 -8.537 -9.475 1.00 41.41 C ATOM 182 CD2 PHE A 11 7.197 -10.204 -7.770 1.00 52.42 C ATOM 183 CE1 PHE A 11 5.807 -8.632 -9.562 1.00 51.13 C ATOM 184 CE2 PHE A 11 5.821 -10.304 -7.853 1.00 51.52 C ATOM 185 CZ PHE A 11 5.125 -9.516 -8.749 1.00 50.14 C ATOM 0 H PHE A 11 9.750 -7.762 -6.513 1.00 4.34 H new ATOM 0 HA PHE A 11 9.236 -10.422 -6.717 1.00 22.31 H new ATOM 0 HB2 PHE A 11 9.678 -8.170 -8.608 1.00 63.51 H new ATOM 0 HB3 PHE A 11 9.835 -9.766 -9.315 1.00 63.51 H new ATOM 0 HD1 PHE A 11 7.711 -7.844 -10.113 1.00 41.41 H new ATOM 0 HD2 PHE A 11 7.736 -10.821 -7.066 1.00 52.42 H new ATOM 0 HE1 PHE A 11 5.266 -8.016 -10.265 1.00 51.13 H new ATOM 0 HE2 PHE A 11 5.290 -10.998 -7.218 1.00 51.52 H new ATOM 0 HZ PHE A 11 4.050 -9.591 -8.814 1.00 50.14 H new ATOM 195 N ARG A 12 11.291 -11.760 -6.976 1.00 55.44 N ATOM 196 CA ARG A 12 12.466 -12.602 -7.160 1.00 43.12 C ATOM 197 C ARG A 12 12.945 -12.559 -8.608 1.00 40.54 C ATOM 198 O ARG A 12 14.045 -12.087 -8.896 1.00 64.03 O ATOM 199 CB ARG A 12 12.154 -14.044 -6.758 1.00 25.51 C ATOM 200 CG ARG A 12 12.966 -15.079 -7.521 1.00 1.51 C ATOM 201 CD ARG A 12 14.460 -14.872 -7.322 1.00 35.34 C ATOM 202 NE ARG A 12 15.205 -15.035 -8.567 1.00 4.43 N ATOM 203 CZ ARG A 12 16.504 -14.780 -8.684 1.00 31.00 C ATOM 204 NH1 ARG A 12 17.197 -14.354 -7.637 1.00 35.02 N ATOM 205 NH2 ARG A 12 17.112 -14.952 -9.851 1.00 22.14 N ATOM 0 H ARG A 12 10.524 -12.210 -6.476 1.00 55.44 H new ATOM 0 HA ARG A 12 13.261 -12.217 -6.521 1.00 43.12 H new ATOM 0 HB2 ARG A 12 12.341 -14.163 -5.691 1.00 25.51 H new ATOM 0 HB3 ARG A 12 11.093 -14.236 -6.920 1.00 25.51 H new ATOM 0 HG2 ARG A 12 12.688 -16.079 -7.187 1.00 1.51 H new ATOM 0 HG3 ARG A 12 12.728 -15.020 -8.583 1.00 1.51 H new ATOM 0 HD2 ARG A 12 14.638 -13.874 -6.921 1.00 35.34 H new ATOM 0 HD3 ARG A 12 14.829 -15.583 -6.583 1.00 35.34 H new ATOM 0 HE ARG A 12 14.701 -15.362 -9.391 1.00 4.43 H new ATOM 0 HH11 ARG A 12 16.733 -14.221 -6.738 1.00 35.02 H new ATOM 0 HH12 ARG A 12 18.194 -14.159 -7.730 1.00 35.02 H new ATOM 0 HH21 ARG A 12 16.582 -15.280 -10.659 1.00 22.14 H new ATOM 0 HH22 ARG A 12 18.109 -14.756 -9.940 1.00 22.14 H new ATOM 219 N LYS A 13 12.111 -13.054 -9.517 1.00 25.13 N ATOM 220 CA LYS A 13 12.448 -13.072 -10.935 1.00 73.14 C ATOM 221 C LYS A 13 11.720 -11.958 -11.681 1.00 42.01 C ATOM 222 O LYS A 13 12.252 -10.860 -11.850 1.00 41.12 O ATOM 223 CB LYS A 13 12.090 -14.428 -11.548 1.00 65.21 C ATOM 224 CG LYS A 13 12.151 -14.445 -13.066 1.00 11.23 C ATOM 225 CD LYS A 13 13.339 -13.653 -13.585 1.00 50.32 C ATOM 226 CE LYS A 13 13.864 -14.227 -14.892 1.00 75.41 C ATOM 227 NZ LYS A 13 14.370 -13.163 -15.802 1.00 72.14 N ATOM 0 H LYS A 13 11.196 -13.448 -9.296 1.00 25.13 H new ATOM 0 HA LYS A 13 13.521 -12.909 -11.030 1.00 73.14 H new ATOM 0 HB2 LYS A 13 12.770 -15.185 -11.157 1.00 65.21 H new ATOM 0 HB3 LYS A 13 11.085 -14.707 -11.230 1.00 65.21 H new ATOM 0 HG2 LYS A 13 12.218 -15.475 -13.417 1.00 11.23 H new ATOM 0 HG3 LYS A 13 11.229 -14.029 -13.473 1.00 11.23 H new ATOM 0 HD2 LYS A 13 13.047 -12.613 -13.734 1.00 50.32 H new ATOM 0 HD3 LYS A 13 14.134 -13.657 -12.839 1.00 50.32 H new ATOM 0 HE2 LYS A 13 14.665 -14.936 -14.681 1.00 75.41 H new ATOM 0 HE3 LYS A 13 13.069 -14.783 -15.390 1.00 75.41 H new ATOM 0 HZ1 LYS A 13 14.719 -13.595 -16.681 1.00 72.14 H new ATOM 0 HZ2 LYS A 13 13.600 -12.501 -16.024 1.00 72.14 H new ATOM 0 HZ3 LYS A 13 15.146 -12.649 -15.338 1.00 72.14 H new ATOM 241 N LEU A 14 10.501 -12.247 -12.124 1.00 4.41 N ATOM 242 CA LEU A 14 9.700 -11.268 -12.850 1.00 73.04 C ATOM 243 C LEU A 14 8.398 -10.975 -12.112 1.00 54.11 C ATOM 244 O LEU A 14 8.302 -10.005 -11.359 1.00 42.13 O ATOM 245 CB LEU A 14 9.396 -11.775 -14.261 1.00 43.25 C ATOM 246 CG LEU A 14 8.277 -11.049 -15.009 1.00 30.20 C ATOM 247 CD1 LEU A 14 8.828 -10.336 -16.234 1.00 60.31 C ATOM 248 CD2 LEU A 14 7.180 -12.027 -15.407 1.00 4.54 C ATOM 0 H LEU A 14 10.046 -13.151 -11.993 1.00 4.41 H new ATOM 0 HA LEU A 14 10.274 -10.344 -12.918 1.00 73.04 H new ATOM 0 HB2 LEU A 14 10.307 -11.705 -14.855 1.00 43.25 H new ATOM 0 HB3 LEU A 14 9.137 -12.832 -14.198 1.00 43.25 H new ATOM 0 HG LEU A 14 7.846 -10.302 -14.343 1.00 30.20 H new ATOM 0 HD11 LEU A 14 8.017 -9.825 -16.753 1.00 60.31 H new ATOM 0 HD12 LEU A 14 9.577 -9.607 -15.924 1.00 60.31 H new ATOM 0 HD13 LEU A 14 9.286 -11.064 -16.904 1.00 60.31 H new ATOM 0 HD21 LEU A 14 6.392 -11.493 -15.938 1.00 4.54 H new ATOM 0 HD22 LEU A 14 7.597 -12.797 -16.055 1.00 4.54 H new ATOM 0 HD23 LEU A 14 6.764 -12.491 -14.513 1.00 4.54 H new ATOM 260 N THR A 15 7.396 -11.821 -12.331 1.00 33.02 N ATOM 261 CA THR A 15 6.099 -11.654 -11.686 1.00 5.21 C ATOM 262 C THR A 15 5.651 -12.944 -11.010 1.00 22.42 C ATOM 263 O THR A 15 5.515 -13.002 -9.787 1.00 42.22 O ATOM 264 CB THR A 15 5.022 -11.216 -12.696 1.00 10.43 C ATOM 265 OG1 THR A 15 5.133 -9.811 -12.952 1.00 32.12 O ATOM 266 CG2 THR A 15 3.629 -11.533 -12.173 1.00 2.55 C ATOM 0 H THR A 15 7.458 -12.629 -12.950 1.00 33.02 H new ATOM 0 HA THR A 15 6.218 -10.875 -10.933 1.00 5.21 H new ATOM 0 HB THR A 15 5.179 -11.767 -13.623 1.00 10.43 H new ATOM 0 HG1 THR A 15 5.286 -9.336 -12.109 1.00 32.12 H new ATOM 0 HG21 THR A 15 2.885 -11.215 -12.903 1.00 2.55 H new ATOM 0 HG22 THR A 15 3.538 -12.606 -12.007 1.00 2.55 H new ATOM 0 HG23 THR A 15 3.464 -11.005 -11.234 1.00 2.55 H new ATOM 274 N HIS A 16 5.423 -13.979 -11.812 1.00 63.33 N ATOM 275 CA HIS A 16 4.991 -15.271 -11.290 1.00 43.02 C ATOM 276 C HIS A 16 5.883 -16.394 -11.811 1.00 44.45 C ATOM 277 O HIS A 16 5.580 -17.573 -11.634 1.00 24.54 O ATOM 278 CB HIS A 16 3.536 -15.540 -11.675 1.00 42.53 C ATOM 279 CG HIS A 16 3.200 -15.123 -13.074 1.00 62.22 C ATOM 280 ND1 HIS A 16 4.061 -15.295 -14.138 1.00 10.42 N ATOM 281 CD2 HIS A 16 2.089 -14.541 -13.582 1.00 35.31 C ATOM 282 CE1 HIS A 16 3.494 -14.835 -15.239 1.00 0.33 C ATOM 283 NE2 HIS A 16 2.296 -14.372 -14.929 1.00 22.43 N ATOM 0 H HIS A 16 5.530 -13.948 -12.826 1.00 63.33 H new ATOM 0 HA HIS A 16 5.072 -15.241 -10.203 1.00 43.02 H new ATOM 0 HB2 HIS A 16 3.330 -16.604 -11.562 1.00 42.53 H new ATOM 0 HB3 HIS A 16 2.882 -15.013 -10.980 1.00 42.53 H new ATOM 0 HD2 HIS A 16 1.204 -14.261 -13.030 1.00 35.31 H new ATOM 0 HE1 HIS A 16 3.935 -14.837 -16.225 1.00 0.33 H new ATOM 0 HE2 HIS A 16 1.633 -13.957 -15.583 1.00 22.43 H new ATOM 291 N ARG A 17 6.983 -16.018 -12.456 1.00 42.11 N ATOM 292 CA ARG A 17 7.918 -16.993 -13.005 1.00 31.12 C ATOM 293 C ARG A 17 8.164 -18.128 -12.015 1.00 15.35 C ATOM 294 O ARG A 17 7.587 -19.209 -12.138 1.00 24.51 O ATOM 295 CB ARG A 17 9.243 -16.317 -13.361 1.00 0.21 C ATOM 296 CG ARG A 17 10.226 -17.236 -14.068 1.00 35.34 C ATOM 297 CD ARG A 17 10.344 -16.895 -15.545 1.00 4.14 C ATOM 298 NE ARG A 17 10.344 -18.090 -16.384 1.00 41.23 N ATOM 299 CZ ARG A 17 10.389 -18.055 -17.712 1.00 33.35 C ATOM 300 NH1 ARG A 17 10.437 -16.892 -18.347 1.00 23.55 N ATOM 301 NH2 ARG A 17 10.385 -19.186 -18.406 1.00 42.12 N ATOM 0 H ARG A 17 7.248 -15.045 -12.611 1.00 42.11 H new ATOM 0 HA ARG A 17 7.477 -17.412 -13.910 1.00 31.12 H new ATOM 0 HB2 ARG A 17 9.042 -15.456 -13.998 1.00 0.21 H new ATOM 0 HB3 ARG A 17 9.704 -15.938 -12.449 1.00 0.21 H new ATOM 0 HG2 ARG A 17 11.205 -17.156 -13.596 1.00 35.34 H new ATOM 0 HG3 ARG A 17 9.902 -18.271 -13.957 1.00 35.34 H new ATOM 0 HD2 ARG A 17 9.516 -16.248 -15.835 1.00 4.14 H new ATOM 0 HD3 ARG A 17 11.262 -16.333 -15.715 1.00 4.14 H new ATOM 0 HE ARG A 17 10.307 -19.001 -15.926 1.00 41.23 H new ATOM 0 HH11 ARG A 17 10.439 -16.021 -17.816 1.00 23.55 H new ATOM 0 HH12 ARG A 17 10.471 -16.868 -19.366 1.00 23.55 H new ATOM 0 HH21 ARG A 17 10.347 -20.082 -17.920 1.00 42.12 H new ATOM 0 HH22 ARG A 17 10.420 -19.159 -19.425 1.00 42.12 H new ATOM 315 N LEU A 18 9.022 -17.874 -11.033 1.00 43.13 N ATOM 316 CA LEU A 18 9.345 -18.874 -10.021 1.00 41.14 C ATOM 317 C LEU A 18 9.148 -18.311 -8.617 1.00 61.14 C ATOM 318 O LEU A 18 10.068 -18.320 -7.799 1.00 33.42 O ATOM 319 CB LEU A 18 10.787 -19.354 -10.193 1.00 22.42 C ATOM 320 CG LEU A 18 11.875 -18.299 -9.990 1.00 30.25 C ATOM 321 CD1 LEU A 18 13.083 -18.905 -9.292 1.00 71.31 C ATOM 322 CD2 LEU A 18 12.279 -17.686 -11.322 1.00 54.34 C ATOM 0 H LEU A 18 9.507 -16.984 -10.916 1.00 43.13 H new ATOM 0 HA LEU A 18 8.669 -19.719 -10.151 1.00 41.14 H new ATOM 0 HB2 LEU A 18 10.964 -20.169 -9.491 1.00 22.42 H new ATOM 0 HB3 LEU A 18 10.894 -19.768 -11.195 1.00 22.42 H new ATOM 0 HG LEU A 18 11.473 -17.509 -9.356 1.00 30.25 H new ATOM 0 HD11 LEU A 18 13.847 -18.139 -9.156 1.00 71.31 H new ATOM 0 HD12 LEU A 18 12.783 -19.295 -8.319 1.00 71.31 H new ATOM 0 HD13 LEU A 18 13.486 -19.715 -9.900 1.00 71.31 H new ATOM 0 HD21 LEU A 18 13.054 -16.937 -11.158 1.00 54.34 H new ATOM 0 HD22 LEU A 18 12.661 -18.466 -11.980 1.00 54.34 H new ATOM 0 HD23 LEU A 18 11.411 -17.215 -11.784 1.00 54.34 H new ATOM 334 N PHE A 19 7.942 -17.823 -8.345 1.00 24.42 N ATOM 335 CA PHE A 19 7.624 -17.258 -7.039 1.00 52.41 C ATOM 336 C PHE A 19 6.861 -18.263 -6.182 1.00 72.30 C ATOM 337 O PHE A 19 6.117 -17.885 -5.277 1.00 21.43 O ATOM 338 CB PHE A 19 6.799 -15.979 -7.201 1.00 70.12 C ATOM 339 CG PHE A 19 7.471 -14.936 -8.047 1.00 54.44 C ATOM 340 CD1 PHE A 19 7.510 -15.063 -9.426 1.00 65.44 C ATOM 341 CD2 PHE A 19 8.063 -13.827 -7.464 1.00 34.24 C ATOM 342 CE1 PHE A 19 8.127 -14.105 -10.208 1.00 44.21 C ATOM 343 CE2 PHE A 19 8.681 -12.865 -8.240 1.00 75.31 C ATOM 344 CZ PHE A 19 8.714 -13.005 -9.614 1.00 1.21 C ATOM 0 H PHE A 19 7.170 -17.808 -9.011 1.00 24.42 H new ATOM 0 HA PHE A 19 8.561 -17.017 -6.537 1.00 52.41 H new ATOM 0 HB2 PHE A 19 5.836 -16.231 -7.646 1.00 70.12 H new ATOM 0 HB3 PHE A 19 6.595 -15.560 -6.216 1.00 70.12 H new ATOM 0 HD1 PHE A 19 7.053 -15.921 -9.896 1.00 65.44 H new ATOM 0 HD2 PHE A 19 8.041 -13.713 -6.390 1.00 34.24 H new ATOM 0 HE1 PHE A 19 8.150 -14.216 -11.282 1.00 44.21 H new ATOM 0 HE2 PHE A 19 9.138 -12.005 -7.773 1.00 75.31 H new ATOM 0 HZ PHE A 19 9.198 -12.256 -10.223 1.00 1.21 H new ATOM 354 N ARG A 20 7.051 -19.546 -6.475 1.00 55.31 N ATOM 355 CA ARG A 20 6.379 -20.606 -5.733 1.00 64.33 C ATOM 356 C ARG A 20 7.374 -21.678 -5.298 1.00 20.41 C ATOM 357 O ARG A 20 7.031 -22.586 -4.540 1.00 4.23 O ATOM 358 CB ARG A 20 5.276 -21.235 -6.586 1.00 63.25 C ATOM 359 CG ARG A 20 5.778 -21.818 -7.898 1.00 11.33 C ATOM 360 CD ARG A 20 4.763 -21.631 -9.015 1.00 1.23 C ATOM 361 NE ARG A 20 4.440 -20.223 -9.231 1.00 63.01 N ATOM 362 CZ ARG A 20 3.336 -19.808 -9.842 1.00 43.31 C ATOM 363 NH1 ARG A 20 2.454 -20.688 -10.294 1.00 51.24 N ATOM 364 NH2 ARG A 20 3.113 -18.509 -10.001 1.00 61.42 N ATOM 0 H ARG A 20 7.664 -19.876 -7.220 1.00 55.31 H new ATOM 0 HA ARG A 20 5.932 -20.165 -4.842 1.00 64.33 H new ATOM 0 HB2 ARG A 20 4.788 -22.022 -6.011 1.00 63.25 H new ATOM 0 HB3 ARG A 20 4.519 -20.481 -6.800 1.00 63.25 H new ATOM 0 HG2 ARG A 20 6.717 -21.339 -8.174 1.00 11.33 H new ATOM 0 HG3 ARG A 20 5.987 -22.880 -7.769 1.00 11.33 H new ATOM 0 HD2 ARG A 20 5.156 -22.058 -9.937 1.00 1.23 H new ATOM 0 HD3 ARG A 20 3.852 -22.179 -8.773 1.00 1.23 H new ATOM 0 HE ARG A 20 5.098 -19.520 -8.894 1.00 63.01 H new ATOM 0 HH11 ARG A 20 2.622 -21.687 -10.173 1.00 51.24 H new ATOM 0 HH12 ARG A 20 1.607 -20.366 -10.763 1.00 51.24 H new ATOM 0 HH21 ARG A 20 3.790 -17.829 -9.654 1.00 61.42 H new ATOM 0 HH22 ARG A 20 2.265 -18.191 -10.470 1.00 61.42 H new ATOM 378 N ARG A 21 8.606 -21.567 -5.783 1.00 63.11 N ATOM 379 CA ARG A 21 9.650 -22.528 -5.446 1.00 11.44 C ATOM 380 C ARG A 21 9.907 -22.545 -3.942 1.00 4.44 C ATOM 381 O ARG A 21 9.674 -23.551 -3.273 1.00 43.25 O ATOM 382 CB ARG A 21 10.943 -22.191 -6.191 1.00 74.44 C ATOM 383 CG ARG A 21 10.878 -22.479 -7.682 1.00 71.14 C ATOM 384 CD ARG A 21 10.644 -23.957 -7.955 1.00 10.20 C ATOM 385 NE ARG A 21 11.371 -24.418 -9.135 1.00 1.42 N ATOM 386 CZ ARG A 21 11.351 -25.674 -9.566 1.00 50.33 C ATOM 387 NH1 ARG A 21 10.644 -26.589 -8.919 1.00 31.44 N ATOM 388 NH2 ARG A 21 12.039 -26.016 -10.648 1.00 52.02 N ATOM 0 H ARG A 21 8.906 -20.821 -6.411 1.00 63.11 H new ATOM 0 HA ARG A 21 9.310 -23.518 -5.751 1.00 11.44 H new ATOM 0 HB2 ARG A 21 11.174 -21.136 -6.043 1.00 74.44 H new ATOM 0 HB3 ARG A 21 11.763 -22.761 -5.755 1.00 74.44 H new ATOM 0 HG2 ARG A 21 10.076 -21.894 -8.132 1.00 71.14 H new ATOM 0 HG3 ARG A 21 11.808 -22.163 -8.155 1.00 71.14 H new ATOM 0 HD2 ARG A 21 10.955 -24.539 -7.088 1.00 10.20 H new ATOM 0 HD3 ARG A 21 9.578 -24.136 -8.094 1.00 10.20 H new ATOM 0 HE ARG A 21 11.924 -23.738 -9.657 1.00 1.42 H new ATOM 0 HH11 ARG A 21 10.113 -26.329 -8.088 1.00 31.44 H new ATOM 0 HH12 ARG A 21 10.631 -27.553 -9.252 1.00 31.44 H new ATOM 0 HH21 ARG A 21 12.584 -25.314 -11.149 1.00 52.02 H new ATOM 0 HH22 ARG A 21 12.023 -26.981 -10.979 1.00 52.02 H new ATOM 402 N ASN A 22 10.390 -21.423 -3.416 1.00 63.15 N ATOM 403 CA ASN A 22 10.681 -21.310 -1.992 1.00 13.52 C ATOM 404 C ASN A 22 9.698 -20.362 -1.310 1.00 62.02 C ATOM 405 O ASN A 22 9.147 -20.676 -0.255 1.00 2.42 O ATOM 406 CB ASN A 22 12.113 -20.816 -1.780 1.00 2.41 C ATOM 407 CG ASN A 22 13.105 -21.510 -2.693 1.00 42.10 C ATOM 408 OD1 ASN A 22 13.621 -20.911 -3.637 1.00 23.22 O ATOM 409 ND2 ASN A 22 13.376 -22.780 -2.415 1.00 41.14 N ATOM 0 H ASN A 22 10.588 -20.580 -3.955 1.00 63.15 H new ATOM 0 HA ASN A 22 10.575 -22.299 -1.545 1.00 13.52 H new ATOM 0 HB2 ASN A 22 12.153 -19.741 -1.955 1.00 2.41 H new ATOM 0 HB3 ASN A 22 12.402 -20.981 -0.742 1.00 2.41 H new ATOM 0 HD21 ASN A 22 14.036 -23.299 -2.994 1.00 41.14 H new ATOM 0 HD22 ASN A 22 12.925 -23.236 -1.622 1.00 41.14 H new ATOM 416 N PHE A 23 9.483 -19.202 -1.921 1.00 51.23 N ATOM 417 CA PHE A 23 8.567 -18.208 -1.374 1.00 1.31 C ATOM 418 C PHE A 23 7.140 -18.461 -1.852 1.00 23.22 C ATOM 419 O PHE A 23 6.746 -18.016 -2.929 1.00 4.11 O ATOM 420 CB PHE A 23 9.009 -16.799 -1.777 1.00 22.44 C ATOM 421 CG PHE A 23 10.128 -16.786 -2.778 1.00 43.14 C ATOM 422 CD1 PHE A 23 9.882 -16.483 -4.108 1.00 1.02 C ATOM 423 CD2 PHE A 23 11.426 -17.077 -2.391 1.00 3.23 C ATOM 424 CE1 PHE A 23 10.910 -16.469 -5.032 1.00 73.32 C ATOM 425 CE2 PHE A 23 12.458 -17.064 -3.310 1.00 71.24 C ATOM 426 CZ PHE A 23 12.199 -16.761 -4.633 1.00 21.40 C ATOM 0 H PHE A 23 9.931 -18.927 -2.795 1.00 51.23 H new ATOM 0 HA PHE A 23 8.588 -18.291 -0.287 1.00 1.31 H new ATOM 0 HB2 PHE A 23 8.155 -16.263 -2.192 1.00 22.44 H new ATOM 0 HB3 PHE A 23 9.323 -16.256 -0.885 1.00 22.44 H new ATOM 0 HD1 PHE A 23 8.875 -16.255 -4.426 1.00 1.02 H new ATOM 0 HD2 PHE A 23 11.634 -17.317 -1.359 1.00 3.23 H new ATOM 0 HE1 PHE A 23 10.705 -16.230 -6.065 1.00 73.32 H new ATOM 0 HE2 PHE A 23 13.466 -17.290 -2.994 1.00 71.24 H new ATOM 0 HZ PHE A 23 13.003 -16.753 -5.354 1.00 21.40 H new ATOM 436 N GLY A 24 6.370 -19.181 -1.042 1.00 20.14 N ATOM 437 CA GLY A 24 4.996 -19.483 -1.398 1.00 40.34 C ATOM 438 C GLY A 24 4.392 -18.437 -2.314 1.00 40.15 C ATOM 439 O GLY A 24 4.486 -18.544 -3.537 1.00 44.24 O ATOM 0 H GLY A 24 6.673 -19.561 -0.145 1.00 20.14 H new ATOM 0 HA2 GLY A 24 4.956 -20.456 -1.887 1.00 40.34 H new ATOM 0 HA3 GLY A 24 4.397 -19.557 -0.491 1.00 40.34 H new ATOM 443 N TYR A 25 3.768 -17.424 -1.723 1.00 65.01 N ATOM 444 CA TYR A 25 3.143 -16.357 -2.494 1.00 52.45 C ATOM 445 C TYR A 25 3.352 -15.003 -1.822 1.00 21.54 C ATOM 446 O TYR A 25 2.395 -14.286 -1.531 1.00 14.43 O ATOM 447 CB TYR A 25 1.647 -16.629 -2.662 1.00 60.31 C ATOM 448 CG TYR A 25 1.126 -16.316 -4.046 1.00 53.32 C ATOM 449 CD1 TYR A 25 1.842 -15.497 -4.911 1.00 24.33 C ATOM 450 CD2 TYR A 25 -0.084 -16.837 -4.489 1.00 44.43 C ATOM 451 CE1 TYR A 25 1.370 -15.207 -6.176 1.00 71.21 C ATOM 452 CE2 TYR A 25 -0.563 -16.553 -5.753 1.00 72.24 C ATOM 453 CZ TYR A 25 0.167 -15.738 -6.593 1.00 10.00 C ATOM 454 OH TYR A 25 -0.308 -15.452 -7.852 1.00 70.15 O ATOM 0 H TYR A 25 3.682 -17.320 -0.712 1.00 65.01 H new ATOM 0 HA TYR A 25 3.614 -16.331 -3.477 1.00 52.45 H new ATOM 0 HB2 TYR A 25 1.449 -17.677 -2.437 1.00 60.31 H new ATOM 0 HB3 TYR A 25 1.095 -16.037 -1.933 1.00 60.31 H new ATOM 0 HD1 TYR A 25 2.784 -15.080 -4.588 1.00 24.33 H new ATOM 0 HD2 TYR A 25 -0.659 -17.475 -3.834 1.00 44.43 H new ATOM 0 HE1 TYR A 25 1.939 -14.568 -6.835 1.00 71.21 H new ATOM 0 HE2 TYR A 25 -1.505 -16.967 -6.082 1.00 72.24 H new ATOM 0 HH TYR A 25 -1.166 -15.905 -7.989 1.00 70.15 H new ATOM 464 N THR A 26 4.613 -14.660 -1.577 1.00 21.32 N ATOM 465 CA THR A 26 4.951 -13.395 -0.938 1.00 55.51 C ATOM 466 C THR A 26 4.438 -12.213 -1.754 1.00 34.23 C ATOM 467 O THR A 26 4.384 -11.084 -1.264 1.00 62.13 O ATOM 468 CB THR A 26 6.472 -13.250 -0.747 1.00 1.20 C ATOM 469 OG1 THR A 26 6.753 -12.690 0.541 1.00 60.22 O ATOM 470 CG2 THR A 26 7.072 -12.367 -1.831 1.00 21.10 C ATOM 0 H THR A 26 5.417 -15.242 -1.812 1.00 21.32 H new ATOM 0 HA THR A 26 4.468 -13.396 0.039 1.00 55.51 H new ATOM 0 HB THR A 26 6.921 -14.241 -0.818 1.00 1.20 H new ATOM 0 HG1 THR A 26 7.722 -12.602 0.655 1.00 60.22 H new ATOM 0 HG21 THR A 26 8.147 -12.279 -1.675 1.00 21.10 H new ATOM 0 HG22 THR A 26 6.882 -12.811 -2.808 1.00 21.10 H new ATOM 0 HG23 THR A 26 6.617 -11.377 -1.787 1.00 21.10 H new ATOM 478 N LEU A 27 4.060 -12.480 -2.999 1.00 45.43 N ATOM 479 CA LEU A 27 3.550 -11.438 -3.884 1.00 3.43 C ATOM 480 C LEU A 27 2.144 -11.014 -3.471 1.00 42.24 C ATOM 481 O LEU A 27 1.714 -9.896 -3.755 1.00 51.13 O ATOM 482 CB LEU A 27 3.543 -11.929 -5.332 1.00 70.22 C ATOM 483 CG LEU A 27 4.551 -13.028 -5.673 1.00 55.44 C ATOM 484 CD1 LEU A 27 4.448 -13.408 -7.142 1.00 62.32 C ATOM 485 CD2 LEU A 27 5.964 -12.579 -5.334 1.00 44.51 C ATOM 0 H LEU A 27 4.097 -13.409 -3.419 1.00 45.43 H new ATOM 0 HA LEU A 27 4.209 -10.573 -3.804 1.00 3.43 H new ATOM 0 HB2 LEU A 27 2.543 -12.295 -5.566 1.00 70.22 H new ATOM 0 HB3 LEU A 27 3.731 -11.076 -5.985 1.00 70.22 H new ATOM 0 HG LEU A 27 4.318 -13.908 -5.074 1.00 55.44 H new ATOM 0 HD11 LEU A 27 5.172 -14.191 -7.367 1.00 62.32 H new ATOM 0 HD12 LEU A 27 3.443 -13.772 -7.354 1.00 62.32 H new ATOM 0 HD13 LEU A 27 4.655 -12.534 -7.759 1.00 62.32 H new ATOM 0 HD21 LEU A 27 6.668 -13.373 -5.583 1.00 44.51 H new ATOM 0 HD22 LEU A 27 6.209 -11.684 -5.907 1.00 44.51 H new ATOM 0 HD23 LEU A 27 6.030 -12.357 -4.269 1.00 44.51 H new ATOM 497 N ARG A 28 1.434 -11.913 -2.799 1.00 20.45 N ATOM 498 CA ARG A 28 0.077 -11.632 -2.346 1.00 71.31 C ATOM 499 C ARG A 28 0.020 -10.309 -1.588 1.00 33.42 C ATOM 500 O ARG A 28 -1.056 -9.747 -1.382 1.00 2.13 O ATOM 501 CB ARG A 28 -0.431 -12.766 -1.454 1.00 31.23 C ATOM 502 CG ARG A 28 0.258 -12.832 -0.101 1.00 23.12 C ATOM 503 CD ARG A 28 0.091 -14.199 0.544 1.00 61.33 C ATOM 504 NE ARG A 28 0.392 -14.171 1.972 1.00 24.55 N ATOM 505 CZ ARG A 28 0.437 -15.258 2.735 1.00 12.15 C ATOM 506 NH1 ARG A 28 0.201 -16.452 2.209 1.00 0.21 N ATOM 507 NH2 ARG A 28 0.718 -15.151 4.028 1.00 61.41 N ATOM 0 H ARG A 28 1.776 -12.843 -2.556 1.00 20.45 H new ATOM 0 HA ARG A 28 -0.564 -11.555 -3.224 1.00 71.31 H new ATOM 0 HB2 ARG A 28 -1.503 -12.644 -1.301 1.00 31.23 H new ATOM 0 HB3 ARG A 28 -0.289 -13.715 -1.971 1.00 31.23 H new ATOM 0 HG2 ARG A 28 1.319 -12.612 -0.221 1.00 23.12 H new ATOM 0 HG3 ARG A 28 -0.154 -12.066 0.556 1.00 23.12 H new ATOM 0 HD2 ARG A 28 -0.931 -14.547 0.396 1.00 61.33 H new ATOM 0 HD3 ARG A 28 0.747 -14.916 0.049 1.00 61.33 H new ATOM 0 HE ARG A 28 0.578 -13.268 2.408 1.00 24.55 H new ATOM 0 HH11 ARG A 28 -0.016 -16.538 1.216 1.00 0.21 H new ATOM 0 HH12 ARG A 28 0.236 -17.284 2.797 1.00 0.21 H new ATOM 0 HH21 ARG A 28 0.899 -14.234 4.436 1.00 61.41 H new ATOM 0 HH22 ARG A 28 0.752 -15.986 4.613 1.00 61.41 H new TER 521 ARG A 28