USER MOD reduce.3.24.130724 H: found=0, std=0, add=269, rem=0, adj=9 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 Single : A 1 LYS N :NH3+ 167:sc= -0.161 (180deg=-0.647) USER MOD Single : A 1 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0259) USER MOD Single : A 2 TYR OH : rot 165:sc= -0.753 USER MOD Single : A 5 THR OG1 : rot 160:sc= -0.022 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 HIS : no HD1:sc= -1.76 K(o=-1.8,f=-5.6!) USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 LYS NZ :NH3+ 147:sc= -0.366 (180deg=-1.71) USER MOD Single : A 15 THR OG1 : rot -41:sc= 1.14 USER MOD Single : A 16 HIS : no HD1:sc= -0.0255 K(o=-0.026,f=-1.4) 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 Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 0.576 -1.050 0.025 1.00 30.20 N ATOM 2 CA LYS A 1 1.595 -0.640 -0.933 1.00 64.45 C ATOM 3 C LYS A 1 2.650 -1.729 -1.105 1.00 2.13 C ATOM 4 O LYS A 1 3.791 -1.449 -1.474 1.00 51.30 O ATOM 5 CB LYS A 1 2.259 0.661 -0.478 1.00 25.12 C ATOM 6 CG LYS A 1 2.767 0.616 0.953 1.00 45.01 C ATOM 7 CD LYS A 1 3.406 1.933 1.359 1.00 1.55 C ATOM 8 CE LYS A 1 4.341 1.757 2.546 1.00 32.14 C ATOM 9 NZ LYS A 1 3.617 1.274 3.755 1.00 2.42 N ATOM 0 H1 LYS A 1 -0.000 -0.227 0.292 1.00 30.20 H new ATOM 0 H2 LYS A 1 -0.034 -1.774 -0.405 1.00 30.20 H new ATOM 0 H3 LYS A 1 1.034 -1.442 0.873 1.00 30.20 H new ATOM 0 HA LYS A 1 1.108 -0.475 -1.894 1.00 64.45 H new ATOM 0 HB2 LYS A 1 3.092 0.886 -1.144 1.00 25.12 H new ATOM 0 HB3 LYS A 1 1.544 1.478 -0.575 1.00 25.12 H new ATOM 0 HG2 LYS A 1 1.941 0.389 1.626 1.00 45.01 H new ATOM 0 HG3 LYS A 1 3.494 -0.190 1.057 1.00 45.01 H new ATOM 0 HD2 LYS A 1 3.961 2.345 0.516 1.00 1.55 H new ATOM 0 HD3 LYS A 1 2.628 2.654 1.611 1.00 1.55 H new ATOM 0 HE2 LYS A 1 5.128 1.049 2.287 1.00 32.14 H new ATOM 0 HE3 LYS A 1 4.828 2.707 2.769 1.00 32.14 H new ATOM 0 HZ1 LYS A 1 4.266 1.264 4.567 1.00 2.42 H new ATOM 0 HZ2 LYS A 1 2.818 1.909 3.958 1.00 2.42 H new ATOM 0 HZ3 LYS A 1 3.260 0.312 3.585 1.00 2.42 H new ATOM 23 N TYR A 2 2.262 -2.970 -0.835 1.00 73.25 N ATOM 24 CA TYR A 2 3.174 -4.101 -0.959 1.00 44.50 C ATOM 25 C TYR A 2 2.691 -5.077 -2.026 1.00 74.34 C ATOM 26 O TYR A 2 3.477 -5.838 -2.589 1.00 24.13 O ATOM 27 CB TYR A 2 3.312 -4.821 0.383 1.00 34.32 C ATOM 28 CG TYR A 2 4.560 -5.668 0.491 1.00 12.42 C ATOM 29 CD1 TYR A 2 5.626 -5.269 1.288 1.00 20.12 C ATOM 30 CD2 TYR A 2 4.674 -6.865 -0.204 1.00 53.02 C ATOM 31 CE1 TYR A 2 6.769 -6.039 1.390 1.00 51.45 C ATOM 32 CE2 TYR A 2 5.812 -7.642 -0.108 1.00 10.43 C ATOM 33 CZ TYR A 2 6.857 -7.224 0.690 1.00 32.21 C ATOM 34 OH TYR A 2 7.993 -7.994 0.788 1.00 60.32 O ATOM 0 H TYR A 2 1.321 -3.219 -0.529 1.00 73.25 H new ATOM 0 HA TYR A 2 4.149 -3.717 -1.260 1.00 44.50 H new ATOM 0 HB2 TYR A 2 3.315 -4.082 1.184 1.00 34.32 H new ATOM 0 HB3 TYR A 2 2.439 -5.455 0.537 1.00 34.32 H new ATOM 0 HD1 TYR A 2 5.560 -4.341 1.837 1.00 20.12 H new ATOM 0 HD2 TYR A 2 3.858 -7.194 -0.831 1.00 53.02 H new ATOM 0 HE1 TYR A 2 7.589 -5.715 2.014 1.00 51.45 H new ATOM 0 HE2 TYR A 2 5.883 -8.571 -0.654 1.00 10.43 H new ATOM 0 HH TYR A 2 7.811 -8.892 0.439 1.00 60.32 H new ATOM 44 N GLU A 3 1.390 -5.048 -2.300 1.00 31.52 N ATOM 45 CA GLU A 3 0.800 -5.931 -3.300 1.00 25.34 C ATOM 46 C GLU A 3 1.685 -6.016 -4.540 1.00 42.11 C ATOM 47 O GLU A 3 2.388 -7.006 -4.748 1.00 11.44 O ATOM 48 CB GLU A 3 -0.595 -5.439 -3.688 1.00 12.42 C ATOM 49 CG GLU A 3 -1.721 -6.265 -3.088 1.00 42.51 C ATOM 50 CD GLU A 3 -2.787 -5.409 -2.432 1.00 40.43 C ATOM 51 OE1 GLU A 3 -3.731 -4.995 -3.137 1.00 54.03 O ATOM 52 OE2 GLU A 3 -2.677 -5.152 -1.215 1.00 72.13 O ATOM 0 H GLU A 3 0.725 -4.423 -1.844 1.00 31.52 H new ATOM 0 HA GLU A 3 0.717 -6.927 -2.865 1.00 25.34 H new ATOM 0 HB2 GLU A 3 -0.707 -4.402 -3.370 1.00 12.42 H new ATOM 0 HB3 GLU A 3 -0.686 -5.451 -4.774 1.00 12.42 H new ATOM 0 HG2 GLU A 3 -2.178 -6.872 -3.870 1.00 42.51 H new ATOM 0 HG3 GLU A 3 -1.308 -6.953 -2.350 1.00 42.51 H new ATOM 59 N ILE A 4 1.644 -4.972 -5.361 1.00 3.11 N ATOM 60 CA ILE A 4 2.442 -4.928 -6.580 1.00 50.31 C ATOM 61 C ILE A 4 3.156 -3.588 -6.722 1.00 10.34 C ATOM 62 O ILE A 4 4.268 -3.516 -7.246 1.00 53.35 O ATOM 63 CB ILE A 4 1.574 -5.169 -7.830 1.00 4.25 C ATOM 64 CG1 ILE A 4 2.455 -5.278 -9.076 1.00 5.33 C ATOM 65 CG2 ILE A 4 0.555 -4.051 -7.991 1.00 5.43 C ATOM 66 CD1 ILE A 4 1.700 -5.071 -10.370 1.00 31.42 C ATOM 0 H ILE A 4 1.067 -4.146 -5.204 1.00 3.11 H new ATOM 0 HA ILE A 4 3.182 -5.725 -6.502 1.00 50.31 H new ATOM 0 HB ILE A 4 1.036 -6.109 -7.705 1.00 4.25 H new ATOM 0 HG12 ILE A 4 3.256 -4.542 -9.010 1.00 5.33 H new ATOM 0 HG13 ILE A 4 2.926 -6.261 -9.093 1.00 5.33 H new ATOM 0 HG21 ILE A 4 -0.050 -4.236 -8.878 1.00 5.43 H new ATOM 0 HG22 ILE A 4 -0.089 -4.017 -7.113 1.00 5.43 H new ATOM 0 HG23 ILE A 4 1.074 -3.098 -8.098 1.00 5.43 H new ATOM 0 HD11 ILE A 4 2.387 -5.162 -11.211 1.00 31.42 H new ATOM 0 HD12 ILE A 4 0.916 -5.824 -10.458 1.00 31.42 H new ATOM 0 HD13 ILE A 4 1.251 -4.078 -10.375 1.00 31.42 H new ATOM 78 N THR A 5 2.510 -2.526 -6.248 1.00 64.30 N ATOM 79 CA THR A 5 3.083 -1.188 -6.321 1.00 22.23 C ATOM 80 C THR A 5 4.575 -1.211 -6.009 1.00 21.03 C ATOM 81 O THR A 5 5.359 -0.479 -6.615 1.00 73.50 O ATOM 82 CB THR A 5 2.381 -0.223 -5.347 1.00 23.02 C ATOM 83 OG1 THR A 5 2.738 -0.543 -3.997 1.00 62.25 O ATOM 84 CG2 THR A 5 0.870 -0.296 -5.508 1.00 4.41 C ATOM 0 H THR A 5 1.590 -2.567 -5.810 1.00 64.30 H new ATOM 0 HA THR A 5 2.934 -0.835 -7.341 1.00 22.23 H new ATOM 0 HB THR A 5 2.707 0.791 -5.578 1.00 23.02 H new ATOM 0 HG1 THR A 5 2.567 0.231 -3.421 1.00 62.25 H new ATOM 0 HG21 THR A 5 0.396 0.394 -4.810 1.00 4.41 H new ATOM 0 HG22 THR A 5 0.599 -0.023 -6.528 1.00 4.41 H new ATOM 0 HG23 THR A 5 0.531 -1.311 -5.302 1.00 4.41 H new ATOM 92 N THR A 6 4.964 -2.056 -5.059 1.00 33.41 N ATOM 93 CA THR A 6 6.362 -2.174 -4.666 1.00 62.20 C ATOM 94 C THR A 6 6.896 -3.574 -4.947 1.00 21.12 C ATOM 95 O THR A 6 8.100 -3.766 -5.120 1.00 70.11 O ATOM 96 CB THR A 6 6.555 -1.854 -3.172 1.00 12.23 C ATOM 97 OG1 THR A 6 6.843 -0.461 -3.002 1.00 64.55 O ATOM 98 CG2 THR A 6 7.683 -2.686 -2.581 1.00 33.22 C ATOM 0 H THR A 6 4.329 -2.669 -4.547 1.00 33.41 H new ATOM 0 HA THR A 6 6.919 -1.449 -5.260 1.00 62.20 H new ATOM 0 HB THR A 6 5.631 -2.100 -2.649 1.00 12.23 H new ATOM 0 HG1 THR A 6 6.963 -0.266 -2.049 1.00 64.55 H new ATOM 0 HG21 THR A 6 7.800 -2.442 -1.525 1.00 33.22 H new ATOM 0 HG22 THR A 6 7.447 -3.745 -2.685 1.00 33.22 H new ATOM 0 HG23 THR A 6 8.611 -2.468 -3.109 1.00 33.22 H new ATOM 106 N ILE A 7 5.994 -4.549 -4.991 1.00 52.52 N ATOM 107 CA ILE A 7 6.375 -5.931 -5.253 1.00 41.30 C ATOM 108 C ILE A 7 7.239 -6.035 -6.505 1.00 40.23 C ATOM 109 O ILE A 7 8.209 -6.793 -6.543 1.00 35.34 O ATOM 110 CB ILE A 7 5.139 -6.834 -5.419 1.00 52.04 C ATOM 111 CG1 ILE A 7 5.290 -8.103 -4.578 1.00 1.33 C ATOM 112 CG2 ILE A 7 4.933 -7.186 -6.885 1.00 42.42 C ATOM 113 CD1 ILE A 7 5.505 -7.829 -3.106 1.00 23.24 C ATOM 0 H ILE A 7 4.994 -4.407 -4.848 1.00 52.52 H new ATOM 0 HA ILE A 7 6.948 -6.269 -4.390 1.00 41.30 H new ATOM 0 HB ILE A 7 4.261 -6.291 -5.069 1.00 52.04 H new ATOM 0 HG12 ILE A 7 4.398 -8.718 -4.699 1.00 1.33 H new ATOM 0 HG13 ILE A 7 6.131 -8.683 -4.958 1.00 1.33 H new ATOM 0 HG21 ILE A 7 4.056 -7.825 -6.986 1.00 42.42 H new ATOM 0 HG22 ILE A 7 4.785 -6.273 -7.461 1.00 42.42 H new ATOM 0 HG23 ILE A 7 5.811 -7.713 -7.259 1.00 42.42 H new ATOM 0 HD11 ILE A 7 5.604 -8.773 -2.571 1.00 23.24 H new ATOM 0 HD12 ILE A 7 6.413 -7.241 -2.974 1.00 23.24 H new ATOM 0 HD13 ILE A 7 4.653 -7.275 -2.711 1.00 23.24 H new ATOM 125 N HIS A 8 6.882 -5.266 -7.530 1.00 20.45 N ATOM 126 CA HIS A 8 7.626 -5.270 -8.784 1.00 23.01 C ATOM 127 C HIS A 8 9.116 -5.058 -8.532 1.00 62.12 C ATOM 128 O HIS A 8 9.955 -5.478 -9.328 1.00 4.32 O ATOM 129 CB HIS A 8 7.096 -4.183 -9.719 1.00 74.34 C ATOM 130 CG HIS A 8 7.439 -2.794 -9.279 1.00 1.41 C ATOM 131 ND1 HIS A 8 7.538 -2.427 -7.953 1.00 70.22 N ATOM 132 CD2 HIS A 8 7.709 -1.679 -9.997 1.00 41.51 C ATOM 133 CE1 HIS A 8 7.852 -1.146 -7.875 1.00 62.40 C ATOM 134 NE2 HIS A 8 7.962 -0.669 -9.102 1.00 3.25 N ATOM 0 H HIS A 8 6.082 -4.633 -7.516 1.00 20.45 H new ATOM 0 HA HIS A 8 7.490 -6.243 -9.256 1.00 23.01 H new ATOM 0 HB2 HIS A 8 7.498 -4.348 -10.719 1.00 74.34 H new ATOM 0 HB3 HIS A 8 6.012 -4.275 -9.792 1.00 74.34 H new ATOM 0 HD2 HIS A 8 7.723 -1.599 -11.074 1.00 41.51 H new ATOM 0 HE1 HIS A 8 7.994 -0.585 -6.963 1.00 62.40 H new ATOM 0 HE2 HIS A 8 8.197 0.293 -9.345 1.00 3.25 H new ATOM 142 N ASN A 9 9.436 -4.404 -7.421 1.00 4.33 N ATOM 143 CA ASN A 9 10.825 -4.135 -7.065 1.00 41.01 C ATOM 144 C ASN A 9 11.437 -5.322 -6.327 1.00 41.22 C ATOM 145 O ASN A 9 12.624 -5.616 -6.478 1.00 53.11 O ATOM 146 CB ASN A 9 10.917 -2.878 -6.197 1.00 61.14 C ATOM 147 CG ASN A 9 11.917 -1.874 -6.738 1.00 22.41 C ATOM 148 OD1 ASN A 9 13.047 -1.787 -6.257 1.00 63.12 O ATOM 149 ND2 ASN A 9 11.505 -1.111 -7.743 1.00 15.54 N ATOM 0 H ASN A 9 8.753 -4.050 -6.751 1.00 4.33 H new ATOM 0 HA ASN A 9 11.385 -3.974 -7.986 1.00 41.01 H new ATOM 0 HB2 ASN A 9 9.934 -2.410 -6.134 1.00 61.14 H new ATOM 0 HB3 ASN A 9 11.201 -3.160 -5.183 1.00 61.14 H new ATOM 0 HD21 ASN A 9 12.134 -0.418 -8.148 1.00 15.54 H new ATOM 0 HD22 ASN A 9 10.559 -1.218 -8.110 1.00 15.54 H new ATOM 156 N LEU A 10 10.620 -6.001 -5.530 1.00 0.44 N ATOM 157 CA LEU A 10 11.080 -7.157 -4.768 1.00 50.30 C ATOM 158 C LEU A 10 10.985 -8.431 -5.602 1.00 5.43 C ATOM 159 O LEU A 10 11.624 -9.437 -5.292 1.00 13.35 O ATOM 160 CB LEU A 10 10.257 -7.309 -3.488 1.00 32.12 C ATOM 161 CG LEU A 10 9.837 -8.734 -3.125 1.00 61.14 C ATOM 162 CD1 LEU A 10 9.578 -8.851 -1.631 1.00 51.44 C ATOM 163 CD2 LEU A 10 8.603 -9.144 -3.916 1.00 62.11 C ATOM 0 H LEU A 10 9.635 -5.771 -5.394 1.00 0.44 H new ATOM 0 HA LEU A 10 12.125 -6.995 -4.503 1.00 50.30 H new ATOM 0 HB2 LEU A 10 10.833 -6.899 -2.659 1.00 32.12 H new ATOM 0 HB3 LEU A 10 9.358 -6.700 -3.583 1.00 32.12 H new ATOM 0 HG LEU A 10 10.652 -9.409 -3.385 1.00 61.14 H new ATOM 0 HD11 LEU A 10 9.280 -9.872 -1.392 1.00 51.44 H new ATOM 0 HD12 LEU A 10 10.487 -8.600 -1.083 1.00 51.44 H new ATOM 0 HD13 LEU A 10 8.781 -8.164 -1.345 1.00 51.44 H new ATOM 0 HD21 LEU A 10 8.318 -10.161 -3.645 1.00 62.11 H new ATOM 0 HD22 LEU A 10 7.782 -8.464 -3.688 1.00 62.11 H new ATOM 0 HD23 LEU A 10 8.824 -9.101 -4.983 1.00 62.11 H new ATOM 175 N PHE A 11 10.187 -8.379 -6.662 1.00 74.44 N ATOM 176 CA PHE A 11 10.009 -9.529 -7.542 1.00 45.12 C ATOM 177 C PHE A 11 11.353 -10.169 -7.878 1.00 23.23 C ATOM 178 O PHE A 11 12.201 -9.555 -8.526 1.00 73.32 O ATOM 179 CB PHE A 11 9.297 -9.108 -8.829 1.00 52.11 C ATOM 180 CG PHE A 11 7.808 -9.298 -8.779 1.00 72.35 C ATOM 181 CD1 PHE A 11 7.236 -10.157 -7.855 1.00 23.41 C ATOM 182 CD2 PHE A 11 6.980 -8.618 -9.658 1.00 34.40 C ATOM 183 CE1 PHE A 11 5.866 -10.335 -7.806 1.00 43.43 C ATOM 184 CE2 PHE A 11 5.609 -8.791 -9.614 1.00 21.22 C ATOM 185 CZ PHE A 11 5.052 -9.651 -8.688 1.00 32.32 C ATOM 0 H PHE A 11 9.653 -7.553 -6.933 1.00 74.44 H new ATOM 0 HA PHE A 11 9.396 -10.263 -7.019 1.00 45.12 H new ATOM 0 HB2 PHE A 11 9.515 -8.059 -9.029 1.00 52.11 H new ATOM 0 HB3 PHE A 11 9.701 -9.682 -9.663 1.00 52.11 H new ATOM 0 HD1 PHE A 11 7.868 -10.695 -7.164 1.00 23.41 H new ATOM 0 HD2 PHE A 11 7.410 -7.946 -10.385 1.00 34.40 H new ATOM 0 HE1 PHE A 11 5.433 -11.007 -7.080 1.00 43.43 H new ATOM 0 HE2 PHE A 11 4.974 -8.254 -10.303 1.00 21.22 H new ATOM 0 HZ PHE A 11 3.981 -9.789 -8.653 1.00 32.32 H new ATOM 195 N ARG A 12 11.540 -11.407 -7.431 1.00 3.33 N ATOM 196 CA ARG A 12 12.781 -12.130 -7.681 1.00 71.23 C ATOM 197 C ARG A 12 13.197 -12.006 -9.144 1.00 74.23 C ATOM 198 O ARG A 12 14.230 -11.415 -9.460 1.00 33.42 O ATOM 199 CB ARG A 12 12.620 -13.605 -7.309 1.00 62.30 C ATOM 200 CG ARG A 12 13.909 -14.258 -6.835 1.00 15.41 C ATOM 201 CD ARG A 12 15.122 -13.667 -7.535 1.00 64.31 C ATOM 202 NE ARG A 12 16.335 -14.436 -7.269 1.00 63.03 N ATOM 203 CZ ARG A 12 17.460 -14.297 -7.962 1.00 2.10 C ATOM 204 NH1 ARG A 12 17.526 -13.423 -8.957 1.00 3.24 N ATOM 205 NH2 ARG A 12 18.522 -15.033 -7.660 1.00 2.12 N ATOM 0 H ARG A 12 10.848 -11.930 -6.894 1.00 3.33 H new ATOM 0 HA ARG A 12 13.561 -11.689 -7.061 1.00 71.23 H new ATOM 0 HB2 ARG A 12 11.868 -13.693 -6.525 1.00 62.30 H new ATOM 0 HB3 ARG A 12 12.243 -14.150 -8.174 1.00 62.30 H new ATOM 0 HG2 ARG A 12 14.010 -14.127 -5.758 1.00 15.41 H new ATOM 0 HG3 ARG A 12 13.866 -15.331 -7.023 1.00 15.41 H new ATOM 0 HD2 ARG A 12 14.941 -13.635 -8.609 1.00 64.31 H new ATOM 0 HD3 ARG A 12 15.265 -12.638 -7.205 1.00 64.31 H new ATOM 0 HE ARG A 12 16.317 -15.117 -6.510 1.00 63.03 H new ATOM 0 HH11 ARG A 12 16.712 -12.855 -9.192 1.00 3.24 H new ATOM 0 HH12 ARG A 12 18.391 -13.318 -9.487 1.00 3.24 H new ATOM 0 HH21 ARG A 12 18.475 -15.706 -6.895 1.00 2.12 H new ATOM 0 HH22 ARG A 12 19.385 -14.926 -8.193 1.00 2.12 H new ATOM 219 N LYS A 13 12.385 -12.568 -10.034 1.00 41.41 N ATOM 220 CA LYS A 13 12.667 -12.520 -11.464 1.00 35.10 C ATOM 221 C LYS A 13 11.717 -11.560 -12.174 1.00 4.12 C ATOM 222 O LYS A 13 12.063 -10.406 -12.431 1.00 63.14 O ATOM 223 CB LYS A 13 12.546 -13.918 -12.075 1.00 50.01 C ATOM 224 CG LYS A 13 12.027 -14.964 -11.104 1.00 14.34 C ATOM 225 CD LYS A 13 13.120 -15.445 -10.165 1.00 65.34 C ATOM 226 CE LYS A 13 14.110 -16.352 -10.881 1.00 73.04 C ATOM 227 NZ LYS A 13 15.305 -16.641 -10.042 1.00 23.01 N ATOM 0 H LYS A 13 11.527 -13.062 -9.790 1.00 41.41 H new ATOM 0 HA LYS A 13 13.687 -12.159 -11.596 1.00 35.10 H new ATOM 0 HB2 LYS A 13 11.880 -13.872 -12.937 1.00 50.01 H new ATOM 0 HB3 LYS A 13 13.523 -14.230 -12.444 1.00 50.01 H new ATOM 0 HG2 LYS A 13 11.205 -14.546 -10.523 1.00 14.34 H new ATOM 0 HG3 LYS A 13 11.626 -15.811 -11.661 1.00 14.34 H new ATOM 0 HD2 LYS A 13 13.647 -14.587 -9.748 1.00 65.34 H new ATOM 0 HD3 LYS A 13 12.672 -15.982 -9.328 1.00 65.34 H new ATOM 0 HE2 LYS A 13 13.618 -17.288 -11.147 1.00 73.04 H new ATOM 0 HE3 LYS A 13 14.425 -15.882 -11.812 1.00 73.04 H new ATOM 0 HZ1 LYS A 13 15.649 -17.601 -10.247 1.00 23.01 H new ATOM 0 HZ2 LYS A 13 16.054 -15.952 -10.256 1.00 23.01 H new ATOM 0 HZ3 LYS A 13 15.048 -16.573 -9.037 1.00 23.01 H new ATOM 241 N LEU A 14 10.520 -12.042 -12.486 1.00 73.31 N ATOM 242 CA LEU A 14 9.519 -11.226 -13.165 1.00 44.20 C ATOM 243 C LEU A 14 8.315 -10.978 -12.263 1.00 32.44 C ATOM 244 O LEU A 14 8.288 -10.017 -11.493 1.00 24.53 O ATOM 245 CB LEU A 14 9.070 -11.906 -14.459 1.00 61.23 C ATOM 246 CG LEU A 14 7.851 -11.295 -15.150 1.00 75.34 C ATOM 247 CD1 LEU A 14 8.263 -10.582 -16.429 1.00 32.22 C ATOM 248 CD2 LEU A 14 6.813 -12.368 -15.447 1.00 14.13 C ATOM 0 H LEU A 14 10.218 -12.994 -12.280 1.00 73.31 H new ATOM 0 HA LEU A 14 9.973 -10.265 -13.406 1.00 44.20 H new ATOM 0 HB2 LEU A 14 9.904 -11.894 -15.160 1.00 61.23 H new ATOM 0 HB3 LEU A 14 8.853 -12.951 -14.240 1.00 61.23 H new ATOM 0 HG LEU A 14 7.406 -10.562 -14.477 1.00 75.34 H new ATOM 0 HD11 LEU A 14 7.382 -10.154 -16.907 1.00 32.22 H new ATOM 0 HD12 LEU A 14 8.969 -9.787 -16.191 1.00 32.22 H new ATOM 0 HD13 LEU A 14 8.733 -11.294 -17.107 1.00 32.22 H new ATOM 0 HD21 LEU A 14 5.952 -11.915 -15.939 1.00 14.13 H new ATOM 0 HD22 LEU A 14 7.248 -13.124 -16.100 1.00 14.13 H new ATOM 0 HD23 LEU A 14 6.494 -12.834 -14.515 1.00 14.13 H new ATOM 260 N THR A 15 7.319 -11.853 -12.361 1.00 35.23 N ATOM 261 CA THR A 15 6.112 -11.731 -11.553 1.00 54.21 C ATOM 262 C THR A 15 5.746 -13.061 -10.905 1.00 25.22 C ATOM 263 O THR A 15 5.629 -13.156 -9.683 1.00 33.23 O ATOM 264 CB THR A 15 4.919 -11.239 -12.396 1.00 5.15 C ATOM 265 OG1 THR A 15 4.971 -9.815 -12.533 1.00 44.51 O ATOM 266 CG2 THR A 15 3.600 -11.644 -11.755 1.00 4.11 C ATOM 0 H THR A 15 7.325 -12.654 -12.992 1.00 35.23 H new ATOM 0 HA THR A 15 6.326 -10.998 -10.775 1.00 54.21 H new ATOM 0 HB THR A 15 4.983 -11.701 -13.381 1.00 5.15 H new ATOM 0 HG1 THR A 15 5.228 -9.413 -11.677 1.00 44.51 H new ATOM 0 HG21 THR A 15 2.773 -11.286 -12.368 1.00 4.11 H new ATOM 0 HG22 THR A 15 3.551 -12.730 -11.678 1.00 4.11 H new ATOM 0 HG23 THR A 15 3.530 -11.206 -10.759 1.00 4.11 H new ATOM 274 N HIS A 16 5.569 -14.088 -11.731 1.00 11.34 N ATOM 275 CA HIS A 16 5.218 -15.415 -11.237 1.00 2.55 C ATOM 276 C HIS A 16 6.197 -16.464 -11.756 1.00 13.34 C ATOM 277 O HIS A 16 6.034 -17.657 -11.502 1.00 24.34 O ATOM 278 CB HIS A 16 3.793 -15.778 -11.655 1.00 43.35 C ATOM 279 CG HIS A 16 3.541 -15.616 -13.123 1.00 31.21 C ATOM 280 ND1 HIS A 16 3.106 -14.435 -13.686 1.00 75.32 N ATOM 281 CD2 HIS A 16 3.667 -16.495 -14.145 1.00 11.21 C ATOM 282 CE1 HIS A 16 2.973 -14.595 -14.991 1.00 11.01 C ATOM 283 NE2 HIS A 16 3.308 -15.836 -15.295 1.00 12.11 N ATOM 0 H HIS A 16 5.663 -14.027 -12.745 1.00 11.34 H new ATOM 0 HA HIS A 16 5.275 -15.398 -10.149 1.00 2.55 H new ATOM 0 HB2 HIS A 16 3.592 -16.811 -11.372 1.00 43.35 H new ATOM 0 HB3 HIS A 16 3.091 -15.154 -11.103 1.00 43.35 H new ATOM 0 HD2 HIS A 16 3.990 -17.523 -14.070 1.00 11.21 H new ATOM 0 HE1 HIS A 16 2.646 -13.840 -15.690 1.00 11.01 H new ATOM 0 HE2 HIS A 16 3.301 -16.239 -16.232 1.00 12.11 H new ATOM 291 N ARG A 17 7.212 -16.010 -12.484 1.00 75.22 N ATOM 292 CA ARG A 17 8.215 -16.910 -13.041 1.00 33.04 C ATOM 293 C ARG A 17 8.649 -17.946 -12.008 1.00 12.35 C ATOM 294 O ARG A 17 8.269 -19.115 -12.087 1.00 12.31 O ATOM 295 CB ARG A 17 9.430 -16.117 -13.525 1.00 12.32 C ATOM 296 CG ARG A 17 9.327 -15.669 -14.974 1.00 30.13 C ATOM 297 CD ARG A 17 10.601 -14.978 -15.435 1.00 74.11 C ATOM 298 NE ARG A 17 10.782 -15.074 -16.881 1.00 3.20 N ATOM 299 CZ ARG A 17 11.173 -16.182 -17.501 1.00 11.21 C ATOM 300 NH1 ARG A 17 11.421 -17.283 -16.805 1.00 0.53 N ATOM 301 NH2 ARG A 17 11.315 -16.190 -18.820 1.00 65.31 N ATOM 0 H ARG A 17 7.362 -15.025 -12.702 1.00 75.22 H new ATOM 0 HA ARG A 17 7.769 -17.431 -13.888 1.00 33.04 H new ATOM 0 HB2 ARG A 17 9.557 -15.240 -12.890 1.00 12.32 H new ATOM 0 HB3 ARG A 17 10.324 -16.729 -13.405 1.00 12.32 H new ATOM 0 HG2 ARG A 17 9.129 -16.532 -15.610 1.00 30.13 H new ATOM 0 HG3 ARG A 17 8.482 -14.990 -15.087 1.00 30.13 H new ATOM 0 HD2 ARG A 17 10.571 -13.929 -15.142 1.00 74.11 H new ATOM 0 HD3 ARG A 17 11.458 -15.425 -14.932 1.00 74.11 H new ATOM 0 HE ARG A 17 10.598 -14.245 -17.446 1.00 3.20 H new ATOM 0 HH11 ARG A 17 11.312 -17.281 -15.791 1.00 0.53 H new ATOM 0 HH12 ARG A 17 11.721 -18.132 -17.284 1.00 0.53 H new ATOM 0 HH21 ARG A 17 11.124 -15.345 -19.359 1.00 65.31 H new ATOM 0 HH22 ARG A 17 11.615 -17.041 -19.295 1.00 65.31 H new ATOM 315 N LEU A 18 9.447 -17.509 -11.039 1.00 71.34 N ATOM 316 CA LEU A 18 9.934 -18.398 -9.990 1.00 73.32 C ATOM 317 C LEU A 18 9.621 -17.833 -8.609 1.00 13.34 C ATOM 318 O LEU A 18 10.526 -17.519 -7.835 1.00 33.20 O ATOM 319 CB LEU A 18 11.441 -18.614 -10.136 1.00 21.10 C ATOM 320 CG LEU A 18 12.118 -19.400 -9.013 1.00 4.14 C ATOM 321 CD1 LEU A 18 12.231 -20.871 -9.383 1.00 10.43 C ATOM 322 CD2 LEU A 18 13.491 -18.818 -8.707 1.00 61.24 C ATOM 0 H LEU A 18 9.770 -16.545 -10.958 1.00 71.34 H new ATOM 0 HA LEU A 18 9.424 -19.356 -10.094 1.00 73.32 H new ATOM 0 HB2 LEU A 18 11.624 -19.133 -11.077 1.00 21.10 H new ATOM 0 HB3 LEU A 18 11.922 -17.639 -10.211 1.00 21.10 H new ATOM 0 HG LEU A 18 11.503 -19.318 -8.117 1.00 4.14 H new ATOM 0 HD11 LEU A 18 12.715 -21.414 -8.572 1.00 10.43 H new ATOM 0 HD12 LEU A 18 11.235 -21.281 -9.551 1.00 10.43 H new ATOM 0 HD13 LEU A 18 12.823 -20.973 -10.292 1.00 10.43 H new ATOM 0 HD21 LEU A 18 13.958 -19.390 -7.905 1.00 61.24 H new ATOM 0 HD22 LEU A 18 14.115 -18.868 -9.600 1.00 61.24 H new ATOM 0 HD23 LEU A 18 13.385 -17.779 -8.397 1.00 61.24 H new ATOM 334 N PHE A 19 8.333 -17.707 -8.304 1.00 43.33 N ATOM 335 CA PHE A 19 7.900 -17.180 -7.015 1.00 64.12 C ATOM 336 C PHE A 19 7.103 -18.226 -6.241 1.00 2.54 C ATOM 337 O PHE A 19 6.453 -17.912 -5.243 1.00 72.25 O ATOM 338 CB PHE A 19 7.054 -15.921 -7.213 1.00 3.30 C ATOM 339 CG PHE A 19 7.703 -14.896 -8.099 1.00 52.12 C ATOM 340 CD1 PHE A 19 8.261 -13.748 -7.560 1.00 71.11 C ATOM 341 CD2 PHE A 19 7.754 -15.080 -9.472 1.00 33.35 C ATOM 342 CE1 PHE A 19 8.859 -12.803 -8.373 1.00 33.23 C ATOM 343 CE2 PHE A 19 8.351 -14.139 -10.289 1.00 75.30 C ATOM 344 CZ PHE A 19 8.903 -12.999 -9.739 1.00 54.22 C ATOM 0 H PHE A 19 7.571 -17.963 -8.932 1.00 43.33 H new ATOM 0 HA PHE A 19 8.788 -16.925 -6.437 1.00 64.12 H new ATOM 0 HB2 PHE A 19 6.092 -16.203 -7.641 1.00 3.30 H new ATOM 0 HB3 PHE A 19 6.851 -15.473 -6.240 1.00 3.30 H new ATOM 0 HD1 PHE A 19 8.228 -13.589 -6.492 1.00 71.11 H new ATOM 0 HD2 PHE A 19 7.322 -15.969 -9.908 1.00 33.35 H new ATOM 0 HE1 PHE A 19 9.291 -11.913 -7.940 1.00 33.23 H new ATOM 0 HE2 PHE A 19 8.386 -14.295 -11.357 1.00 75.30 H new ATOM 0 HZ PHE A 19 9.368 -12.262 -10.376 1.00 54.22 H new ATOM 354 N ARG A 20 7.159 -19.469 -6.708 1.00 13.45 N ATOM 355 CA ARG A 20 6.441 -20.560 -6.061 1.00 31.44 C ATOM 356 C ARG A 20 7.322 -21.801 -5.952 1.00 22.31 C ATOM 357 O ARG A 20 6.823 -22.924 -5.874 1.00 64.10 O ATOM 358 CB ARG A 20 5.167 -20.893 -6.839 1.00 72.30 C ATOM 359 CG ARG A 20 5.384 -21.017 -8.338 1.00 53.03 C ATOM 360 CD ARG A 20 4.794 -22.309 -8.882 1.00 0.02 C ATOM 361 NE ARG A 20 3.397 -22.479 -8.493 1.00 54.10 N ATOM 362 CZ ARG A 20 2.697 -23.584 -8.728 1.00 44.42 C ATOM 363 NH1 ARG A 20 3.263 -24.611 -9.347 1.00 10.12 N ATOM 364 NH2 ARG A 20 1.430 -23.663 -8.344 1.00 11.52 N ATOM 0 H ARG A 20 7.694 -19.745 -7.531 1.00 13.45 H new ATOM 0 HA ARG A 20 6.171 -20.238 -5.056 1.00 31.44 H new ATOM 0 HB2 ARG A 20 4.755 -21.829 -6.461 1.00 72.30 H new ATOM 0 HB3 ARG A 20 4.424 -20.118 -6.651 1.00 72.30 H new ATOM 0 HG2 ARG A 20 4.928 -20.166 -8.844 1.00 53.03 H new ATOM 0 HG3 ARG A 20 6.451 -20.983 -8.556 1.00 53.03 H new ATOM 0 HD2 ARG A 20 4.871 -22.313 -9.969 1.00 0.02 H new ATOM 0 HD3 ARG A 20 5.377 -23.155 -8.518 1.00 0.02 H new ATOM 0 HE ARG A 20 2.933 -21.707 -8.014 1.00 54.10 H new ATOM 0 HH11 ARG A 20 4.237 -24.554 -9.644 1.00 10.12 H new ATOM 0 HH12 ARG A 20 2.724 -25.458 -9.526 1.00 10.12 H new ATOM 0 HH21 ARG A 20 0.991 -22.875 -7.868 1.00 11.52 H new ATOM 0 HH22 ARG A 20 0.894 -24.512 -8.525 1.00 11.52 H new ATOM 378 N ARG A 21 8.634 -21.590 -5.948 1.00 24.32 N ATOM 379 CA ARG A 21 9.585 -22.691 -5.850 1.00 71.55 C ATOM 380 C ARG A 21 10.272 -22.698 -4.488 1.00 33.01 C ATOM 381 O ARG A 21 10.152 -23.657 -3.726 1.00 45.15 O ATOM 382 CB ARG A 21 10.632 -22.589 -6.961 1.00 2.11 C ATOM 383 CG ARG A 21 10.122 -23.031 -8.322 1.00 74.54 C ATOM 384 CD ARG A 21 9.109 -22.046 -8.885 1.00 21.11 C ATOM 385 NE ARG A 21 8.968 -22.173 -10.333 1.00 30.11 N ATOM 386 CZ ARG A 21 8.301 -23.159 -10.923 1.00 22.13 C ATOM 387 NH1 ARG A 21 7.717 -24.099 -10.192 1.00 43.21 N ATOM 388 NH2 ARG A 21 8.217 -23.206 -12.246 1.00 61.11 N ATOM 0 H ARG A 21 9.063 -20.667 -6.011 1.00 24.32 H new ATOM 0 HA ARG A 21 9.034 -23.624 -5.964 1.00 71.55 H new ATOM 0 HB2 ARG A 21 10.977 -21.557 -7.029 1.00 2.11 H new ATOM 0 HB3 ARG A 21 11.496 -23.197 -6.691 1.00 2.11 H new ATOM 0 HG2 ARG A 21 10.960 -23.127 -9.012 1.00 74.54 H new ATOM 0 HG3 ARG A 21 9.664 -24.017 -8.238 1.00 74.54 H new ATOM 0 HD2 ARG A 21 8.141 -22.210 -8.411 1.00 21.11 H new ATOM 0 HD3 ARG A 21 9.416 -21.030 -8.639 1.00 21.11 H new ATOM 0 HE ARG A 21 9.406 -21.466 -10.924 1.00 30.11 H new ATOM 0 HH11 ARG A 21 7.779 -24.066 -9.174 1.00 43.21 H new ATOM 0 HH12 ARG A 21 7.205 -24.855 -10.647 1.00 43.21 H new ATOM 0 HH21 ARG A 21 8.665 -22.485 -12.811 1.00 61.11 H new ATOM 0 HH22 ARG A 21 7.705 -23.963 -12.698 1.00 61.11 H new ATOM 402 N ASN A 22 10.991 -21.621 -4.188 1.00 61.34 N ATOM 403 CA ASN A 22 11.698 -21.504 -2.918 1.00 41.52 C ATOM 404 C ASN A 22 10.941 -20.593 -1.956 1.00 75.24 C ATOM 405 O ASN A 22 11.055 -20.727 -0.738 1.00 31.01 O ATOM 406 CB ASN A 22 13.111 -20.961 -3.145 1.00 73.54 C ATOM 407 CG ASN A 22 14.136 -22.068 -3.303 1.00 50.44 C ATOM 408 OD1 ASN A 22 13.988 -22.950 -4.149 1.00 20.11 O ATOM 409 ND2 ASN A 22 15.183 -22.025 -2.487 1.00 52.25 N ATOM 0 H ASN A 22 11.099 -20.817 -4.807 1.00 61.34 H new ATOM 0 HA ASN A 22 11.764 -22.498 -2.475 1.00 41.52 H new ATOM 0 HB2 ASN A 22 13.118 -20.333 -4.036 1.00 73.54 H new ATOM 0 HB3 ASN A 22 13.393 -20.326 -2.305 1.00 73.54 H new ATOM 0 HD21 ASN A 22 15.906 -22.742 -2.547 1.00 52.25 H new ATOM 0 HD22 ASN A 22 15.264 -21.275 -1.801 1.00 52.25 H new ATOM 416 N PHE A 23 10.166 -19.668 -2.513 1.00 1.44 N ATOM 417 CA PHE A 23 9.389 -18.734 -1.705 1.00 24.42 C ATOM 418 C PHE A 23 7.899 -18.865 -2.005 1.00 20.45 C ATOM 419 O PHE A 23 7.408 -18.346 -3.006 1.00 11.34 O ATOM 420 CB PHE A 23 9.849 -17.298 -1.964 1.00 31.04 C ATOM 421 CG PHE A 23 10.631 -17.139 -3.236 1.00 1.11 C ATOM 422 CD1 PHE A 23 11.817 -17.830 -3.427 1.00 33.01 C ATOM 423 CD2 PHE A 23 10.181 -16.298 -4.241 1.00 1.32 C ATOM 424 CE1 PHE A 23 12.539 -17.686 -4.597 1.00 32.23 C ATOM 425 CE2 PHE A 23 10.899 -16.150 -5.413 1.00 34.23 C ATOM 426 CZ PHE A 23 12.080 -16.844 -5.590 1.00 75.34 C ATOM 0 H PHE A 23 10.059 -19.545 -3.520 1.00 1.44 H new ATOM 0 HA PHE A 23 9.553 -18.977 -0.655 1.00 24.42 H new ATOM 0 HB2 PHE A 23 8.976 -16.646 -2.000 1.00 31.04 H new ATOM 0 HB3 PHE A 23 10.462 -16.965 -1.126 1.00 31.04 H new ATOM 0 HD1 PHE A 23 12.181 -18.489 -2.653 1.00 33.01 H new ATOM 0 HD2 PHE A 23 9.259 -15.752 -4.107 1.00 1.32 H new ATOM 0 HE1 PHE A 23 13.461 -18.232 -4.734 1.00 32.23 H new ATOM 0 HE2 PHE A 23 10.537 -15.492 -6.189 1.00 34.23 H new ATOM 0 HZ PHE A 23 12.644 -16.728 -6.504 1.00 75.34 H new ATOM 436 N GLY A 24 7.184 -19.565 -1.128 1.00 64.23 N ATOM 437 CA GLY A 24 5.758 -19.753 -1.316 1.00 73.34 C ATOM 438 C GLY A 24 5.127 -18.637 -2.125 1.00 44.12 C ATOM 439 O GLY A 24 5.063 -18.710 -3.353 1.00 35.55 O ATOM 0 H GLY A 24 7.568 -20.005 -0.291 1.00 64.23 H new ATOM 0 HA2 GLY A 24 5.583 -20.705 -1.818 1.00 73.34 H new ATOM 0 HA3 GLY A 24 5.271 -19.812 -0.343 1.00 73.34 H new ATOM 443 N TYR A 25 4.660 -17.601 -1.437 1.00 62.21 N ATOM 444 CA TYR A 25 4.028 -16.466 -2.099 1.00 72.41 C ATOM 445 C TYR A 25 4.416 -15.155 -1.422 1.00 75.41 C ATOM 446 O TYR A 25 3.563 -14.435 -0.902 1.00 40.52 O ATOM 447 CB TYR A 25 2.507 -16.627 -2.091 1.00 33.20 C ATOM 448 CG TYR A 25 1.809 -15.841 -3.178 1.00 31.30 C ATOM 449 CD1 TYR A 25 0.558 -15.277 -2.960 1.00 71.22 C ATOM 450 CD2 TYR A 25 2.400 -15.664 -4.423 1.00 12.32 C ATOM 451 CE1 TYR A 25 -0.084 -14.559 -3.951 1.00 0.15 C ATOM 452 CE2 TYR A 25 1.766 -14.946 -5.418 1.00 41.34 C ATOM 453 CZ TYR A 25 0.524 -14.396 -5.178 1.00 4.54 C ATOM 454 OH TYR A 25 -0.111 -13.681 -6.167 1.00 42.12 O ATOM 0 H TYR A 25 4.707 -17.524 -0.421 1.00 62.21 H new ATOM 0 HA TYR A 25 4.378 -16.438 -3.131 1.00 72.41 H new ATOM 0 HB2 TYR A 25 2.261 -17.683 -2.203 1.00 33.20 H new ATOM 0 HB3 TYR A 25 2.122 -16.311 -1.121 1.00 33.20 H new ATOM 0 HD1 TYR A 25 0.079 -15.402 -2.000 1.00 71.22 H new ATOM 0 HD2 TYR A 25 3.371 -16.095 -4.616 1.00 12.32 H new ATOM 0 HE1 TYR A 25 -1.057 -14.128 -3.766 1.00 0.15 H new ATOM 0 HE2 TYR A 25 2.240 -14.816 -6.379 1.00 41.34 H new ATOM 0 HH TYR A 25 0.453 -13.660 -6.968 1.00 42.12 H new ATOM 464 N THR A 26 5.710 -14.852 -1.433 1.00 12.54 N ATOM 465 CA THR A 26 6.213 -13.629 -0.820 1.00 52.50 C ATOM 466 C THR A 26 5.552 -12.397 -1.429 1.00 3.23 C ATOM 467 O THR A 26 5.578 -11.313 -0.844 1.00 33.11 O ATOM 468 CB THR A 26 7.740 -13.508 -0.977 1.00 63.54 C ATOM 469 OG1 THR A 26 8.277 -12.683 0.062 1.00 15.43 O ATOM 470 CG2 THR A 26 8.100 -12.922 -2.334 1.00 62.11 C ATOM 0 H THR A 26 6.429 -15.437 -1.860 1.00 12.54 H new ATOM 0 HA THR A 26 5.968 -13.684 0.241 1.00 52.50 H new ATOM 0 HB THR A 26 8.170 -14.507 -0.904 1.00 63.54 H new ATOM 0 HG1 THR A 26 9.249 -12.613 -0.045 1.00 15.43 H new ATOM 0 HG21 THR A 26 9.184 -12.846 -2.422 1.00 62.11 H new ATOM 0 HG22 THR A 26 7.717 -13.569 -3.123 1.00 62.11 H new ATOM 0 HG23 THR A 26 7.658 -11.930 -2.431 1.00 62.11 H new ATOM 478 N LEU A 27 4.961 -12.569 -2.606 1.00 32.34 N ATOM 479 CA LEU A 27 4.292 -11.471 -3.294 1.00 12.20 C ATOM 480 C LEU A 27 3.101 -10.966 -2.485 1.00 44.40 C ATOM 481 O LEU A 27 2.615 -9.856 -2.705 1.00 32.31 O ATOM 482 CB LEU A 27 3.827 -11.919 -4.681 1.00 21.44 C ATOM 483 CG LEU A 27 4.671 -13.002 -5.354 1.00 23.24 C ATOM 484 CD1 LEU A 27 4.204 -13.232 -6.782 1.00 71.44 C ATOM 485 CD2 LEU A 27 6.145 -12.623 -5.327 1.00 72.12 C ATOM 0 H LEU A 27 4.932 -13.459 -3.104 1.00 32.34 H new ATOM 0 HA LEU A 27 5.006 -10.655 -3.403 1.00 12.20 H new ATOM 0 HB2 LEU A 27 2.803 -12.283 -4.599 1.00 21.44 H new ATOM 0 HB3 LEU A 27 3.804 -11.046 -5.334 1.00 21.44 H new ATOM 0 HG LEU A 27 4.545 -13.931 -4.799 1.00 23.24 H new ATOM 0 HD11 LEU A 27 4.816 -14.006 -7.245 1.00 71.44 H new ATOM 0 HD12 LEU A 27 3.161 -13.549 -6.777 1.00 71.44 H new ATOM 0 HD13 LEU A 27 4.299 -12.306 -7.350 1.00 71.44 H new ATOM 0 HD21 LEU A 27 6.731 -13.405 -5.810 1.00 72.12 H new ATOM 0 HD22 LEU A 27 6.288 -11.682 -5.858 1.00 72.12 H new ATOM 0 HD23 LEU A 27 6.473 -12.510 -4.294 1.00 72.12 H new ATOM 497 N ARG A 28 2.639 -11.786 -1.547 1.00 72.04 N ATOM 498 CA ARG A 28 1.506 -11.422 -0.705 1.00 2.13 C ATOM 499 C ARG A 28 1.969 -10.631 0.516 1.00 74.33 C ATOM 500 O ARG A 28 1.174 -10.321 1.403 1.00 3.55 O ATOM 501 CB ARG A 28 0.752 -12.676 -0.258 1.00 11.52 C ATOM 502 CG ARG A 28 -0.742 -12.457 -0.081 1.00 41.02 C ATOM 503 CD ARG A 28 -1.544 -13.232 -1.115 1.00 12.22 C ATOM 504 NE ARG A 28 -2.954 -12.851 -1.111 1.00 50.34 N ATOM 505 CZ ARG A 28 -3.838 -13.312 -0.234 1.00 21.03 C ATOM 506 NH1 ARG A 28 -3.459 -14.167 0.707 1.00 53.44 N ATOM 507 NH2 ARG A 28 -5.104 -12.918 -0.295 1.00 65.12 N ATOM 0 H ARG A 28 3.032 -12.707 -1.351 1.00 72.04 H new ATOM 0 HA ARG A 28 0.836 -10.793 -1.291 1.00 2.13 H new ATOM 0 HB2 ARG A 28 0.910 -13.466 -0.992 1.00 11.52 H new ATOM 0 HB3 ARG A 28 1.173 -13.027 0.684 1.00 11.52 H new ATOM 0 HG2 ARG A 28 -1.040 -12.768 0.920 1.00 41.02 H new ATOM 0 HG3 ARG A 28 -0.968 -11.394 -0.166 1.00 41.02 H new ATOM 0 HD2 ARG A 28 -1.124 -13.057 -2.105 1.00 12.22 H new ATOM 0 HD3 ARG A 28 -1.456 -14.300 -0.916 1.00 12.22 H new ATOM 0 HE ARG A 28 -3.278 -12.194 -1.821 1.00 50.34 H new ATOM 0 HH11 ARG A 28 -2.487 -14.471 0.758 1.00 53.44 H new ATOM 0 HH12 ARG A 28 -4.140 -14.520 1.380 1.00 53.44 H new ATOM 0 HH21 ARG A 28 -5.399 -12.260 -1.016 1.00 65.12 H new ATOM 0 HH22 ARG A 28 -5.782 -13.273 0.379 1.00 65.12 H new TER 521 ARG A 28