USER MOD reduce.3.24.130724 H: found=0, std=0, add=269, rem=0, adj=8 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+ 177:sc= -0.0542 (180deg=-0.0751) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 TYR OH : rot 180:sc= -0.0876 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= -1.48 K(o=-1.5,f=-5.7!) USER MOD Single : A 9 ASN : amide:sc= -0.245 X(o=-0.24,f=0) USER MOD Single : A 13 LYS NZ :NH3+ 179:sc= -0.281 (180deg=-0.285) USER MOD Single : A 15 THR OG1 : rot -41:sc= 0.19 USER MOD Single : A 16 HIS : no HD1:sc= -0.0118 K(o=-0.012,f=-1) USER MOD Single : A 22 ASN : amide:sc= -0.171 X(o=-0.17,f=-0.013) 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 1.371 -0.104 0.064 1.00 52.12 N ATOM 2 CA LYS A 1 2.136 -0.108 -1.177 1.00 70.44 C ATOM 3 C LYS A 1 3.089 -1.299 -1.225 1.00 13.41 C ATOM 4 O LYS A 1 4.247 -1.163 -1.620 1.00 20.51 O ATOM 5 CB LYS A 1 2.924 1.196 -1.319 1.00 64.52 C ATOM 6 CG LYS A 1 2.045 2.425 -1.467 1.00 10.10 C ATOM 7 CD LYS A 1 2.848 3.635 -1.915 1.00 22.40 C ATOM 8 CE LYS A 1 2.419 4.893 -1.176 1.00 44.24 C ATOM 9 NZ LYS A 1 3.200 6.084 -1.611 1.00 3.53 N ATOM 0 H1 LYS A 1 0.767 0.742 0.097 1.00 52.12 H new ATOM 0 H2 LYS A 1 0.776 -0.956 0.108 1.00 52.12 H new ATOM 0 H3 LYS A 1 2.023 -0.095 0.874 1.00 52.12 H new ATOM 0 HA LYS A 1 1.434 -0.193 -2.007 1.00 70.44 H new ATOM 0 HB2 LYS A 1 3.564 1.321 -0.446 1.00 64.52 H new ATOM 0 HB3 LYS A 1 3.579 1.122 -2.187 1.00 64.52 H new ATOM 0 HG2 LYS A 1 1.255 2.223 -2.191 1.00 10.10 H new ATOM 0 HG3 LYS A 1 1.558 2.642 -0.516 1.00 10.10 H new ATOM 0 HD2 LYS A 1 3.909 3.454 -1.741 1.00 22.40 H new ATOM 0 HD3 LYS A 1 2.721 3.781 -2.988 1.00 22.40 H new ATOM 0 HE2 LYS A 1 1.358 5.072 -1.348 1.00 44.24 H new ATOM 0 HE3 LYS A 1 2.547 4.746 -0.104 1.00 44.24 H new ATOM 0 HZ1 LYS A 1 2.878 6.921 -1.085 1.00 3.53 H new ATOM 0 HZ2 LYS A 1 4.210 5.924 -1.423 1.00 3.53 H new ATOM 0 HZ3 LYS A 1 3.058 6.240 -2.629 1.00 3.53 H new ATOM 23 N TYR A 2 2.593 -2.463 -0.822 1.00 25.35 N ATOM 24 CA TYR A 2 3.401 -3.677 -0.817 1.00 64.14 C ATOM 25 C TYR A 2 2.834 -4.712 -1.784 1.00 20.53 C ATOM 26 O TYR A 2 3.554 -5.585 -2.268 1.00 42.43 O ATOM 27 CB TYR A 2 3.471 -4.264 0.593 1.00 13.15 C ATOM 28 CG TYR A 2 4.603 -5.247 0.785 1.00 5.25 C ATOM 29 CD1 TYR A 2 4.550 -6.516 0.223 1.00 24.30 C ATOM 30 CD2 TYR A 2 5.726 -4.907 1.530 1.00 41.31 C ATOM 31 CE1 TYR A 2 5.583 -7.418 0.396 1.00 34.13 C ATOM 32 CE2 TYR A 2 6.764 -5.801 1.707 1.00 34.41 C ATOM 33 CZ TYR A 2 6.687 -7.056 1.139 1.00 41.33 C ATOM 34 OH TYR A 2 7.718 -7.950 1.314 1.00 31.31 O ATOM 0 H TYR A 2 1.636 -2.592 -0.495 1.00 25.35 H new ATOM 0 HA TYR A 2 4.407 -3.414 -1.143 1.00 64.14 H new ATOM 0 HB2 TYR A 2 3.582 -3.451 1.311 1.00 13.15 H new ATOM 0 HB3 TYR A 2 2.527 -4.761 0.818 1.00 13.15 H new ATOM 0 HD1 TYR A 2 3.687 -6.803 -0.359 1.00 24.30 H new ATOM 0 HD2 TYR A 2 5.788 -3.926 1.978 1.00 41.31 H new ATOM 0 HE1 TYR A 2 5.526 -8.401 -0.048 1.00 34.13 H new ATOM 0 HE2 TYR A 2 7.631 -5.519 2.287 1.00 34.41 H new ATOM 0 HH TYR A 2 8.419 -7.538 1.861 1.00 31.31 H new ATOM 44 N GLU A 3 1.538 -4.608 -2.059 1.00 14.32 N ATOM 45 CA GLU A 3 0.873 -5.535 -2.967 1.00 52.20 C ATOM 46 C GLU A 3 1.738 -5.809 -4.194 1.00 12.20 C ATOM 47 O GLU A 3 2.414 -6.835 -4.273 1.00 3.32 O ATOM 48 CB GLU A 3 -0.484 -4.975 -3.400 1.00 45.33 C ATOM 49 CG GLU A 3 -1.530 -4.994 -2.299 1.00 72.50 C ATOM 50 CD GLU A 3 -2.729 -4.123 -2.618 1.00 11.41 C ATOM 51 OE1 GLU A 3 -3.401 -4.389 -3.636 1.00 53.14 O ATOM 52 OE2 GLU A 3 -2.995 -3.175 -1.850 1.00 52.31 O ATOM 0 H GLU A 3 0.928 -3.891 -1.666 1.00 14.32 H new ATOM 0 HA GLU A 3 0.717 -6.474 -2.437 1.00 52.20 H new ATOM 0 HB2 GLU A 3 -0.351 -3.950 -3.745 1.00 45.33 H new ATOM 0 HB3 GLU A 3 -0.852 -5.552 -4.249 1.00 45.33 H new ATOM 0 HG2 GLU A 3 -1.863 -6.019 -2.137 1.00 72.50 H new ATOM 0 HG3 GLU A 3 -1.077 -4.655 -1.367 1.00 72.50 H new ATOM 59 N ILE A 4 1.710 -4.885 -5.149 1.00 14.04 N ATOM 60 CA ILE A 4 2.491 -5.026 -6.371 1.00 73.30 C ATOM 61 C ILE A 4 3.220 -3.731 -6.710 1.00 54.45 C ATOM 62 O ILE A 4 4.308 -3.749 -7.287 1.00 74.33 O ATOM 63 CB ILE A 4 1.603 -5.430 -7.563 1.00 30.11 C ATOM 64 CG1 ILE A 4 2.468 -5.798 -8.770 1.00 24.42 C ATOM 65 CG2 ILE A 4 0.645 -4.302 -7.916 1.00 32.32 C ATOM 66 CD1 ILE A 4 1.703 -5.835 -10.074 1.00 13.32 C ATOM 0 H ILE A 4 1.155 -4.031 -5.099 1.00 14.04 H new ATOM 0 HA ILE A 4 3.222 -5.814 -6.189 1.00 73.30 H new ATOM 0 HB ILE A 4 1.016 -6.304 -7.280 1.00 30.11 H new ATOM 0 HG12 ILE A 4 3.282 -5.078 -8.856 1.00 24.42 H new ATOM 0 HG13 ILE A 4 2.922 -6.774 -8.597 1.00 24.42 H new ATOM 0 HG21 ILE A 4 0.024 -4.603 -8.760 1.00 32.32 H new ATOM 0 HG22 ILE A 4 0.009 -4.083 -7.058 1.00 32.32 H new ATOM 0 HG23 ILE A 4 1.214 -3.412 -8.183 1.00 32.32 H new ATOM 0 HD11 ILE A 4 2.380 -6.103 -10.885 1.00 13.32 H new ATOM 0 HD12 ILE A 4 0.906 -6.575 -10.007 1.00 13.32 H new ATOM 0 HD13 ILE A 4 1.271 -4.854 -10.270 1.00 13.32 H new ATOM 78 N THR A 5 2.614 -2.604 -6.347 1.00 73.32 N ATOM 79 CA THR A 5 3.205 -1.299 -6.612 1.00 54.31 C ATOM 80 C THR A 5 4.701 -1.303 -6.321 1.00 31.02 C ATOM 81 O THR A 5 5.479 -0.635 -7.002 1.00 41.51 O ATOM 82 CB THR A 5 2.533 -0.197 -5.771 1.00 54.13 C ATOM 83 OG1 THR A 5 2.923 1.094 -6.253 1.00 25.22 O ATOM 84 CG2 THR A 5 2.908 -0.331 -4.303 1.00 65.34 C ATOM 0 H THR A 5 1.714 -2.570 -5.869 1.00 73.32 H new ATOM 0 HA THR A 5 3.044 -1.088 -7.669 1.00 54.31 H new ATOM 0 HB THR A 5 1.453 -0.308 -5.864 1.00 54.13 H new ATOM 0 HG1 THR A 5 2.490 1.789 -5.714 1.00 25.22 H new ATOM 0 HG21 THR A 5 2.421 0.458 -3.730 1.00 65.34 H new ATOM 0 HG22 THR A 5 2.583 -1.303 -3.932 1.00 65.34 H new ATOM 0 HG23 THR A 5 3.989 -0.245 -4.194 1.00 65.34 H new ATOM 92 N THR A 6 5.099 -2.062 -5.304 1.00 41.51 N ATOM 93 CA THR A 6 6.503 -2.153 -4.922 1.00 54.53 C ATOM 94 C THR A 6 7.002 -3.591 -5.001 1.00 14.23 C ATOM 95 O THR A 6 8.201 -3.835 -5.135 1.00 1.02 O ATOM 96 CB THR A 6 6.733 -1.618 -3.496 1.00 74.40 C ATOM 97 OG1 THR A 6 8.049 -1.066 -3.386 1.00 62.10 O ATOM 98 CG2 THR A 6 6.554 -2.726 -2.468 1.00 41.42 C ATOM 0 H THR A 6 4.469 -2.622 -4.730 1.00 41.51 H new ATOM 0 HA THR A 6 7.063 -1.538 -5.627 1.00 54.53 H new ATOM 0 HB THR A 6 5.996 -0.839 -3.300 1.00 74.40 H new ATOM 0 HG1 THR A 6 8.187 -0.727 -2.477 1.00 62.10 H new ATOM 0 HG21 THR A 6 6.721 -2.325 -1.468 1.00 41.42 H new ATOM 0 HG22 THR A 6 5.541 -3.124 -2.535 1.00 41.42 H new ATOM 0 HG23 THR A 6 7.271 -3.523 -2.664 1.00 41.42 H new ATOM 106 N ILE A 7 6.075 -4.539 -4.917 1.00 73.10 N ATOM 107 CA ILE A 7 6.421 -5.953 -4.980 1.00 65.45 C ATOM 108 C ILE A 7 7.281 -6.254 -6.203 1.00 62.24 C ATOM 109 O ILE A 7 8.224 -7.043 -6.134 1.00 62.21 O ATOM 110 CB ILE A 7 5.163 -6.840 -5.021 1.00 21.42 C ATOM 111 CG1 ILE A 7 5.311 -8.017 -4.054 1.00 71.33 C ATOM 112 CG2 ILE A 7 4.911 -7.339 -6.436 1.00 44.40 C ATOM 113 CD1 ILE A 7 5.555 -7.596 -2.622 1.00 74.00 C ATOM 0 H ILE A 7 5.078 -4.353 -4.805 1.00 73.10 H new ATOM 0 HA ILE A 7 6.986 -6.180 -4.076 1.00 65.45 H new ATOM 0 HB ILE A 7 4.306 -6.243 -4.710 1.00 21.42 H new ATOM 0 HG12 ILE A 7 4.409 -8.627 -4.096 1.00 71.33 H new ATOM 0 HG13 ILE A 7 6.137 -8.647 -4.385 1.00 71.33 H new ATOM 0 HG21 ILE A 7 4.018 -7.964 -6.448 1.00 44.40 H new ATOM 0 HG22 ILE A 7 4.767 -6.488 -7.102 1.00 44.40 H new ATOM 0 HG23 ILE A 7 5.767 -7.923 -6.774 1.00 44.40 H new ATOM 0 HD11 ILE A 7 5.650 -8.482 -1.994 1.00 74.00 H new ATOM 0 HD12 ILE A 7 6.473 -7.011 -2.566 1.00 74.00 H new ATOM 0 HD13 ILE A 7 4.718 -6.991 -2.273 1.00 74.00 H new ATOM 125 N HIS A 8 6.951 -5.619 -7.323 1.00 54.13 N ATOM 126 CA HIS A 8 7.694 -5.816 -8.562 1.00 62.54 C ATOM 127 C HIS A 8 9.190 -5.624 -8.335 1.00 5.13 C ATOM 128 O HIS A 8 10.015 -6.166 -9.070 1.00 14.30 O ATOM 129 CB HIS A 8 7.201 -4.848 -9.638 1.00 3.22 C ATOM 130 CG HIS A 8 7.565 -3.420 -9.370 1.00 1.22 C ATOM 131 ND1 HIS A 8 7.676 -2.897 -8.099 1.00 24.34 N ATOM 132 CD2 HIS A 8 7.845 -2.403 -10.219 1.00 24.44 C ATOM 133 CE1 HIS A 8 8.008 -1.621 -8.177 1.00 55.10 C ATOM 134 NE2 HIS A 8 8.117 -1.296 -9.453 1.00 32.43 N ATOM 0 H HIS A 8 6.173 -4.963 -7.398 1.00 54.13 H new ATOM 0 HA HIS A 8 7.524 -6.838 -8.899 1.00 62.54 H new ATOM 0 HB2 HIS A 8 7.616 -5.146 -10.601 1.00 3.22 H new ATOM 0 HB3 HIS A 8 6.117 -4.929 -9.719 1.00 3.22 H new ATOM 0 HD2 HIS A 8 7.853 -2.453 -11.298 1.00 24.44 H new ATOM 0 HE1 HIS A 8 8.164 -0.956 -7.340 1.00 55.10 H new ATOM 0 HE2 HIS A 8 8.363 -0.373 -9.811 1.00 32.43 H new ATOM 142 N ASN A 9 9.533 -4.848 -7.312 1.00 4.14 N ATOM 143 CA ASN A 9 10.931 -4.583 -6.988 1.00 55.31 C ATOM 144 C ASN A 9 11.517 -5.711 -6.145 1.00 64.15 C ATOM 145 O ASN A 9 12.692 -6.056 -6.281 1.00 42.31 O ATOM 146 CB ASN A 9 11.059 -3.253 -6.241 1.00 64.55 C ATOM 147 CG ASN A 9 12.480 -2.723 -6.246 1.00 22.21 C ATOM 148 OD1 ASN A 9 12.811 -1.809 -7.001 1.00 51.10 O ATOM 149 ND2 ASN A 9 13.328 -3.297 -5.400 1.00 43.13 N ATOM 0 H ASN A 9 8.863 -4.392 -6.693 1.00 4.14 H new ATOM 0 HA ASN A 9 11.490 -4.523 -7.922 1.00 55.31 H new ATOM 0 HB2 ASN A 9 10.398 -2.517 -6.698 1.00 64.55 H new ATOM 0 HB3 ASN A 9 10.726 -3.384 -5.211 1.00 64.55 H new ATOM 0 HD21 ASN A 9 14.298 -2.983 -5.358 1.00 43.13 H new ATOM 0 HD22 ASN A 9 13.010 -4.052 -4.792 1.00 43.13 H new ATOM 156 N LEU A 10 10.692 -6.283 -5.276 1.00 22.22 N ATOM 157 CA LEU A 10 11.128 -7.374 -4.411 1.00 3.12 C ATOM 158 C LEU A 10 10.997 -8.718 -5.121 1.00 4.43 C ATOM 159 O LEU A 10 11.653 -9.692 -4.753 1.00 24.41 O ATOM 160 CB LEU A 10 10.310 -7.385 -3.119 1.00 15.03 C ATOM 161 CG LEU A 10 9.883 -8.761 -2.606 1.00 53.03 C ATOM 162 CD1 LEU A 10 9.680 -8.730 -1.099 1.00 64.24 C ATOM 163 CD2 LEU A 10 8.613 -9.221 -3.308 1.00 12.25 C ATOM 0 H LEU A 10 9.717 -6.010 -5.151 1.00 22.22 H new ATOM 0 HA LEU A 10 12.178 -7.214 -4.167 1.00 3.12 H new ATOM 0 HB2 LEU A 10 10.893 -6.894 -2.340 1.00 15.03 H new ATOM 0 HB3 LEU A 10 9.414 -6.784 -3.275 1.00 15.03 H new ATOM 0 HG LEU A 10 10.677 -9.473 -2.830 1.00 53.03 H new ATOM 0 HD11 LEU A 10 9.376 -9.718 -0.752 1.00 64.24 H new ATOM 0 HD12 LEU A 10 10.613 -8.445 -0.612 1.00 64.24 H new ATOM 0 HD13 LEU A 10 8.905 -8.005 -0.851 1.00 64.24 H new ATOM 0 HD21 LEU A 10 8.324 -10.202 -2.931 1.00 12.25 H new ATOM 0 HD22 LEU A 10 7.812 -8.507 -3.115 1.00 12.25 H new ATOM 0 HD23 LEU A 10 8.793 -9.284 -4.381 1.00 12.25 H new ATOM 175 N PHE A 11 10.148 -8.761 -6.141 1.00 74.44 N ATOM 176 CA PHE A 11 9.931 -9.985 -6.904 1.00 65.23 C ATOM 177 C PHE A 11 11.257 -10.675 -7.213 1.00 21.24 C ATOM 178 O PHE A 11 12.150 -10.084 -7.820 1.00 22.22 O ATOM 179 CB PHE A 11 9.190 -9.675 -8.206 1.00 71.54 C ATOM 180 CG PHE A 11 7.700 -9.831 -8.099 1.00 71.23 C ATOM 181 CD1 PHE A 11 7.142 -10.615 -7.102 1.00 52.31 C ATOM 182 CD2 PHE A 11 6.857 -9.195 -8.996 1.00 43.53 C ATOM 183 CE1 PHE A 11 5.771 -10.760 -7.000 1.00 50.24 C ATOM 184 CE2 PHE A 11 5.486 -9.336 -8.899 1.00 51.43 C ATOM 185 CZ PHE A 11 4.942 -10.120 -7.901 1.00 61.20 C ATOM 0 H PHE A 11 9.599 -7.963 -6.459 1.00 74.44 H new ATOM 0 HA PHE A 11 9.323 -10.658 -6.299 1.00 65.23 H new ATOM 0 HB2 PHE A 11 9.419 -8.654 -8.511 1.00 71.54 H new ATOM 0 HB3 PHE A 11 9.561 -10.333 -8.991 1.00 71.54 H new ATOM 0 HD1 PHE A 11 7.786 -11.119 -6.396 1.00 52.31 H new ATOM 0 HD2 PHE A 11 7.276 -8.582 -9.780 1.00 43.53 H new ATOM 0 HE1 PHE A 11 5.349 -11.373 -6.217 1.00 50.24 H new ATOM 0 HE2 PHE A 11 4.840 -8.833 -9.604 1.00 51.43 H new ATOM 0 HZ PHE A 11 3.871 -10.233 -7.825 1.00 61.20 H new ATOM 195 N ARG A 12 11.377 -11.929 -6.789 1.00 22.10 N ATOM 196 CA ARG A 12 12.594 -12.700 -7.018 1.00 15.44 C ATOM 197 C ARG A 12 13.082 -12.531 -8.453 1.00 71.44 C ATOM 198 O ARG A 12 14.155 -11.978 -8.695 1.00 53.32 O ATOM 199 CB ARG A 12 12.348 -14.180 -6.721 1.00 60.23 C ATOM 200 CG ARG A 12 13.232 -15.117 -7.528 1.00 22.55 C ATOM 201 CD ARG A 12 14.707 -14.830 -7.295 1.00 2.15 C ATOM 202 NE ARG A 12 15.451 -14.737 -8.548 1.00 3.23 N ATOM 203 CZ ARG A 12 16.730 -14.384 -8.619 1.00 10.24 C ATOM 204 NH1 ARG A 12 17.403 -14.093 -7.514 1.00 40.30 N ATOM 205 NH2 ARG A 12 17.338 -14.322 -9.796 1.00 61.14 N ATOM 0 H ARG A 12 10.647 -12.433 -6.285 1.00 22.10 H new ATOM 0 HA ARG A 12 13.365 -12.325 -6.345 1.00 15.44 H new ATOM 0 HB2 ARG A 12 12.514 -14.362 -5.659 1.00 60.23 H new ATOM 0 HB3 ARG A 12 11.303 -14.414 -6.925 1.00 60.23 H new ATOM 0 HG2 ARG A 12 13.014 -16.150 -7.256 1.00 22.55 H new ATOM 0 HG3 ARG A 12 13.003 -15.012 -8.588 1.00 22.55 H new ATOM 0 HD2 ARG A 12 14.812 -13.897 -6.741 1.00 2.15 H new ATOM 0 HD3 ARG A 12 15.136 -15.618 -6.676 1.00 2.15 H new ATOM 0 HE ARG A 12 14.962 -14.955 -9.416 1.00 3.23 H new ATOM 0 HH11 ARG A 12 16.939 -14.140 -6.607 1.00 40.30 H new ATOM 0 HH12 ARG A 12 18.385 -13.822 -7.571 1.00 40.30 H new ATOM 0 HH21 ARG A 12 16.824 -14.545 -10.648 1.00 61.14 H new ATOM 0 HH22 ARG A 12 18.320 -14.051 -9.849 1.00 61.14 H new ATOM 219 N LYS A 13 12.288 -13.013 -9.403 1.00 74.33 N ATOM 220 CA LYS A 13 12.637 -12.916 -10.816 1.00 30.45 C ATOM 221 C LYS A 13 11.833 -11.816 -11.501 1.00 30.03 C ATOM 222 O LYS A 13 12.311 -10.692 -11.662 1.00 62.41 O ATOM 223 CB LYS A 13 12.390 -14.254 -11.516 1.00 63.50 C ATOM 224 CG LYS A 13 12.415 -14.161 -13.032 1.00 32.11 C ATOM 225 CD LYS A 13 13.546 -13.270 -13.517 1.00 53.15 C ATOM 226 CE LYS A 13 14.040 -13.696 -14.891 1.00 41.34 C ATOM 227 NZ LYS A 13 13.129 -13.236 -15.976 1.00 34.42 N ATOM 0 H LYS A 13 11.397 -13.475 -9.220 1.00 74.33 H new ATOM 0 HA LYS A 13 13.695 -12.665 -10.887 1.00 30.45 H new ATOM 0 HB2 LYS A 13 13.146 -14.969 -11.192 1.00 63.50 H new ATOM 0 HB3 LYS A 13 11.423 -14.647 -11.200 1.00 63.50 H new ATOM 0 HG2 LYS A 13 12.528 -15.158 -13.457 1.00 32.11 H new ATOM 0 HG3 LYS A 13 11.463 -13.769 -13.389 1.00 32.11 H new ATOM 0 HD2 LYS A 13 13.205 -12.236 -13.556 1.00 53.15 H new ATOM 0 HD3 LYS A 13 14.371 -13.307 -12.805 1.00 53.15 H new ATOM 0 HE2 LYS A 13 15.038 -13.292 -15.059 1.00 41.34 H new ATOM 0 HE3 LYS A 13 14.126 -14.782 -14.925 1.00 41.34 H new ATOM 0 HZ1 LYS A 13 13.510 -13.532 -16.898 1.00 34.42 H new ATOM 0 HZ2 LYS A 13 12.187 -13.655 -15.840 1.00 34.42 H new ATOM 0 HZ3 LYS A 13 13.053 -12.199 -15.949 1.00 34.42 H new ATOM 241 N LEU A 14 10.610 -12.145 -11.901 1.00 33.24 N ATOM 242 CA LEU A 14 9.738 -11.184 -12.567 1.00 41.13 C ATOM 243 C LEU A 14 8.440 -10.994 -11.788 1.00 65.05 C ATOM 244 O LEU A 14 8.348 -10.131 -10.914 1.00 62.53 O ATOM 245 CB LEU A 14 9.428 -11.649 -13.991 1.00 43.33 C ATOM 246 CG LEU A 14 8.288 -10.919 -14.702 1.00 41.14 C ATOM 247 CD1 LEU A 14 8.832 -10.027 -15.807 1.00 43.22 C ATOM 248 CD2 LEU A 14 7.285 -11.916 -15.265 1.00 4.12 C ATOM 0 H LEU A 14 10.199 -13.070 -11.776 1.00 33.24 H new ATOM 0 HA LEU A 14 10.258 -10.227 -12.608 1.00 41.13 H new ATOM 0 HB2 LEU A 14 10.331 -11.542 -14.591 1.00 43.33 H new ATOM 0 HB3 LEU A 14 9.189 -12.712 -13.961 1.00 43.33 H new ATOM 0 HG LEU A 14 7.776 -10.290 -13.974 1.00 41.14 H new ATOM 0 HD11 LEU A 14 8.006 -9.516 -16.302 1.00 43.22 H new ATOM 0 HD12 LEU A 14 9.511 -9.290 -15.378 1.00 43.22 H new ATOM 0 HD13 LEU A 14 9.370 -10.635 -16.534 1.00 43.22 H new ATOM 0 HD21 LEU A 14 6.481 -11.379 -15.767 1.00 4.12 H new ATOM 0 HD22 LEU A 14 7.785 -12.571 -15.978 1.00 4.12 H new ATOM 0 HD23 LEU A 14 6.870 -12.513 -14.453 1.00 4.12 H new ATOM 260 N THR A 15 7.439 -11.807 -12.110 1.00 31.12 N ATOM 261 CA THR A 15 6.147 -11.730 -11.440 1.00 53.22 C ATOM 262 C THR A 15 5.681 -13.108 -10.983 1.00 51.54 C ATOM 263 O THR A 15 5.428 -13.327 -9.798 1.00 63.33 O ATOM 264 CB THR A 15 5.074 -11.116 -12.359 1.00 74.11 C ATOM 265 OG1 THR A 15 5.166 -9.687 -12.334 1.00 32.43 O ATOM 266 CG2 THR A 15 3.680 -11.547 -11.927 1.00 22.21 C ATOM 0 H THR A 15 7.498 -12.526 -12.831 1.00 31.12 H new ATOM 0 HA THR A 15 6.280 -11.088 -10.569 1.00 53.22 H new ATOM 0 HB THR A 15 5.249 -11.473 -13.374 1.00 74.11 H new ATOM 0 HG1 THR A 15 5.328 -9.386 -11.416 1.00 32.43 H new ATOM 0 HG21 THR A 15 2.939 -11.101 -12.591 1.00 22.21 H new ATOM 0 HG22 THR A 15 3.604 -12.633 -11.976 1.00 22.21 H new ATOM 0 HG23 THR A 15 3.497 -11.216 -10.905 1.00 22.21 H new ATOM 274 N HIS A 16 5.569 -14.034 -11.931 1.00 5.44 N ATOM 275 CA HIS A 16 5.135 -15.392 -11.624 1.00 52.24 C ATOM 276 C HIS A 16 6.112 -16.416 -12.194 1.00 33.24 C ATOM 277 O HIS A 16 5.815 -17.610 -12.243 1.00 63.11 O ATOM 278 CB HIS A 16 3.734 -15.640 -12.184 1.00 52.02 C ATOM 279 CG HIS A 16 3.497 -14.993 -13.514 1.00 60.11 C ATOM 280 ND1 HIS A 16 4.409 -15.041 -14.547 1.00 51.03 N ATOM 281 CD2 HIS A 16 2.443 -14.282 -13.977 1.00 53.15 C ATOM 282 CE1 HIS A 16 3.927 -14.386 -15.588 1.00 14.40 C ATOM 283 NE2 HIS A 16 2.734 -13.916 -15.268 1.00 43.44 N ATOM 0 H HIS A 16 5.773 -13.869 -12.917 1.00 5.44 H new ATOM 0 HA HIS A 16 5.110 -15.504 -10.540 1.00 52.24 H new ATOM 0 HB2 HIS A 16 3.574 -16.714 -12.278 1.00 52.02 H new ATOM 0 HB3 HIS A 16 2.996 -15.269 -11.472 1.00 52.02 H new ATOM 0 HD2 HIS A 16 1.541 -14.046 -13.432 1.00 53.15 H new ATOM 0 HE1 HIS A 16 4.423 -14.257 -16.538 1.00 14.40 H new ATOM 0 HE2 HIS A 16 2.128 -13.370 -15.880 1.00 43.44 H new ATOM 291 N ARG A 17 7.276 -15.941 -12.623 1.00 24.23 N ATOM 292 CA ARG A 17 8.296 -16.816 -13.190 1.00 53.52 C ATOM 293 C ARG A 17 8.471 -18.070 -12.339 1.00 70.15 C ATOM 294 O ARG A 17 7.955 -19.137 -12.674 1.00 64.44 O ATOM 295 CB ARG A 17 9.629 -16.073 -13.304 1.00 74.43 C ATOM 296 CG ARG A 17 10.685 -16.835 -14.088 1.00 32.41 C ATOM 297 CD ARG A 17 10.977 -16.169 -15.423 1.00 74.13 C ATOM 298 NE ARG A 17 12.384 -16.283 -15.796 1.00 71.52 N ATOM 299 CZ ARG A 17 12.830 -16.133 -17.039 1.00 34.45 C ATOM 300 NH1 ARG A 17 11.982 -15.864 -18.022 1.00 44.12 N ATOM 301 NH2 ARG A 17 14.125 -16.252 -17.299 1.00 22.42 N ATOM 0 H ARG A 17 7.537 -14.956 -12.589 1.00 24.23 H new ATOM 0 HA ARG A 17 7.969 -17.117 -14.185 1.00 53.52 H new ATOM 0 HB2 ARG A 17 9.458 -15.109 -13.783 1.00 74.43 H new ATOM 0 HB3 ARG A 17 10.009 -15.869 -12.303 1.00 74.43 H new ATOM 0 HG2 ARG A 17 11.602 -16.895 -13.502 1.00 32.41 H new ATOM 0 HG3 ARG A 17 10.347 -17.858 -14.257 1.00 32.41 H new ATOM 0 HD2 ARG A 17 10.359 -16.623 -16.197 1.00 74.13 H new ATOM 0 HD3 ARG A 17 10.700 -15.116 -15.371 1.00 74.13 H new ATOM 0 HE ARG A 17 13.062 -16.489 -15.062 1.00 71.52 H new ATOM 0 HH11 ARG A 17 10.985 -15.772 -17.825 1.00 44.12 H new ATOM 0 HH12 ARG A 17 12.326 -15.749 -18.975 1.00 44.12 H new ATOM 0 HH21 ARG A 17 14.780 -16.459 -16.545 1.00 22.42 H new ATOM 0 HH22 ARG A 17 14.466 -16.137 -18.253 1.00 22.42 H new ATOM 315 N LEU A 18 9.202 -17.934 -11.238 1.00 73.44 N ATOM 316 CA LEU A 18 9.446 -19.057 -10.339 1.00 51.21 C ATOM 317 C LEU A 18 9.040 -18.708 -8.911 1.00 22.34 C ATOM 318 O LEU A 18 9.800 -18.928 -7.967 1.00 41.22 O ATOM 319 CB LEU A 18 10.922 -19.456 -10.379 1.00 70.22 C ATOM 320 CG LEU A 18 11.914 -18.413 -9.864 1.00 12.23 C ATOM 321 CD1 LEU A 18 13.192 -19.083 -9.384 1.00 41.40 C ATOM 322 CD2 LEU A 18 12.220 -17.388 -10.946 1.00 43.10 C ATOM 0 H LEU A 18 9.636 -17.058 -10.946 1.00 73.44 H new ATOM 0 HA LEU A 18 8.840 -19.898 -10.674 1.00 51.21 H new ATOM 0 HB2 LEU A 18 11.047 -20.367 -9.794 1.00 70.22 H new ATOM 0 HB3 LEU A 18 11.184 -19.700 -11.409 1.00 70.22 H new ATOM 0 HG LEU A 18 11.461 -17.895 -9.019 1.00 12.23 H new ATOM 0 HD11 LEU A 18 13.886 -18.325 -9.021 1.00 41.40 H new ATOM 0 HD12 LEU A 18 12.958 -19.777 -8.577 1.00 41.40 H new ATOM 0 HD13 LEU A 18 13.649 -19.628 -10.210 1.00 41.40 H new ATOM 0 HD21 LEU A 18 12.928 -16.653 -10.562 1.00 43.10 H new ATOM 0 HD22 LEU A 18 12.652 -17.890 -11.811 1.00 43.10 H new ATOM 0 HD23 LEU A 18 11.299 -16.885 -11.241 1.00 43.10 H new ATOM 334 N PHE A 19 7.837 -18.166 -8.759 1.00 14.25 N ATOM 335 CA PHE A 19 7.329 -17.788 -7.445 1.00 32.02 C ATOM 336 C PHE A 19 6.465 -18.899 -6.855 1.00 62.43 C ATOM 337 O PHE A 19 5.706 -18.676 -5.912 1.00 70.03 O ATOM 338 CB PHE A 19 6.519 -16.494 -7.541 1.00 15.43 C ATOM 339 CG PHE A 19 7.279 -15.355 -8.159 1.00 34.04 C ATOM 340 CD1 PHE A 19 7.480 -15.301 -9.528 1.00 75.34 C ATOM 341 CD2 PHE A 19 7.793 -14.339 -7.369 1.00 53.35 C ATOM 342 CE1 PHE A 19 8.178 -14.255 -10.100 1.00 42.34 C ATOM 343 CE2 PHE A 19 8.492 -13.290 -7.936 1.00 13.52 C ATOM 344 CZ PHE A 19 8.686 -13.248 -9.303 1.00 32.13 C ATOM 0 H PHE A 19 7.195 -17.978 -9.529 1.00 14.25 H new ATOM 0 HA PHE A 19 8.182 -17.627 -6.786 1.00 32.02 H new ATOM 0 HB2 PHE A 19 5.619 -16.681 -8.128 1.00 15.43 H new ATOM 0 HB3 PHE A 19 6.194 -16.204 -6.542 1.00 15.43 H new ATOM 0 HD1 PHE A 19 7.086 -16.086 -10.156 1.00 75.34 H new ATOM 0 HD2 PHE A 19 7.646 -14.367 -6.299 1.00 53.35 H new ATOM 0 HE1 PHE A 19 8.326 -14.225 -11.169 1.00 42.34 H new ATOM 0 HE2 PHE A 19 8.887 -12.503 -7.310 1.00 13.52 H new ATOM 0 HZ PHE A 19 9.233 -12.430 -9.747 1.00 32.13 H new ATOM 354 N ARG A 20 6.587 -20.097 -7.419 1.00 10.15 N ATOM 355 CA ARG A 20 5.817 -21.243 -6.951 1.00 31.13 C ATOM 356 C ARG A 20 6.729 -22.436 -6.677 1.00 13.40 C ATOM 357 O ARG A 20 6.266 -23.505 -6.281 1.00 30.34 O ATOM 358 CB ARG A 20 4.755 -21.626 -7.983 1.00 35.13 C ATOM 359 CG ARG A 20 5.321 -21.901 -9.366 1.00 75.02 C ATOM 360 CD ARG A 20 5.400 -23.393 -9.649 1.00 62.02 C ATOM 361 NE ARG A 20 5.161 -23.697 -11.058 1.00 3.54 N ATOM 362 CZ ARG A 20 3.950 -23.779 -11.596 1.00 70.44 C ATOM 363 NH1 ARG A 20 2.873 -23.582 -10.848 1.00 62.03 N ATOM 364 NH2 ARG A 20 3.814 -24.060 -12.886 1.00 51.32 N ATOM 0 H ARG A 20 7.211 -20.299 -8.200 1.00 10.15 H new ATOM 0 HA ARG A 20 5.325 -20.963 -6.020 1.00 31.13 H new ATOM 0 HB2 ARG A 20 4.224 -22.512 -7.634 1.00 35.13 H new ATOM 0 HB3 ARG A 20 4.022 -20.822 -8.053 1.00 35.13 H new ATOM 0 HG2 ARG A 20 4.696 -21.419 -10.118 1.00 75.02 H new ATOM 0 HG3 ARG A 20 6.315 -21.461 -9.448 1.00 75.02 H new ATOM 0 HD2 ARG A 20 6.383 -23.765 -9.360 1.00 62.02 H new ATOM 0 HD3 ARG A 20 4.667 -23.917 -9.036 1.00 62.02 H new ATOM 0 HE ARG A 20 5.968 -23.855 -11.661 1.00 3.54 H new ATOM 0 HH11 ARG A 20 2.973 -23.367 -9.856 1.00 62.03 H new ATOM 0 HH12 ARG A 20 1.944 -23.646 -11.265 1.00 62.03 H new ATOM 0 HH21 ARG A 20 4.640 -24.213 -13.464 1.00 51.32 H new ATOM 0 HH22 ARG A 20 2.883 -24.123 -13.299 1.00 51.32 H new ATOM 378 N ARG A 21 8.026 -22.243 -6.892 1.00 21.43 N ATOM 379 CA ARG A 21 9.002 -23.303 -6.670 1.00 24.21 C ATOM 380 C ARG A 21 9.188 -23.568 -5.179 1.00 34.43 C ATOM 381 O ARG A 21 8.967 -24.682 -4.704 1.00 42.23 O ATOM 382 CB ARG A 21 10.344 -22.930 -7.303 1.00 62.30 C ATOM 383 CG ARG A 21 10.356 -23.048 -8.818 1.00 64.13 C ATOM 384 CD ARG A 21 11.747 -22.807 -9.385 1.00 20.43 C ATOM 385 NE ARG A 21 12.552 -24.026 -9.396 1.00 73.24 N ATOM 386 CZ ARG A 21 12.399 -24.999 -10.288 1.00 44.22 C ATOM 387 NH1 ARG A 21 11.478 -24.896 -11.236 1.00 11.52 N ATOM 388 NH2 ARG A 21 13.170 -26.077 -10.233 1.00 63.54 N ATOM 0 H ARG A 21 8.425 -21.363 -7.219 1.00 21.43 H new ATOM 0 HA ARG A 21 8.626 -24.212 -7.139 1.00 24.21 H new ATOM 0 HB2 ARG A 21 10.595 -21.907 -7.025 1.00 62.30 H new ATOM 0 HB3 ARG A 21 11.122 -23.573 -6.891 1.00 62.30 H new ATOM 0 HG2 ARG A 21 10.010 -24.040 -9.109 1.00 64.13 H new ATOM 0 HG3 ARG A 21 9.658 -22.328 -9.246 1.00 64.13 H new ATOM 0 HD2 ARG A 21 11.663 -22.419 -10.400 1.00 20.43 H new ATOM 0 HD3 ARG A 21 12.253 -22.044 -8.793 1.00 20.43 H new ATOM 0 HE ARG A 21 13.270 -24.136 -8.680 1.00 73.24 H new ATOM 0 HH11 ARG A 21 10.884 -24.068 -11.282 1.00 11.52 H new ATOM 0 HH12 ARG A 21 11.363 -25.645 -11.919 1.00 11.52 H new ATOM 0 HH21 ARG A 21 13.881 -26.159 -9.506 1.00 63.54 H new ATOM 0 HH22 ARG A 21 13.052 -26.824 -10.918 1.00 63.54 H new ATOM 402 N ASN A 22 9.595 -22.537 -4.446 1.00 33.24 N ATOM 403 CA ASN A 22 9.811 -22.659 -3.008 1.00 72.15 C ATOM 404 C ASN A 22 8.954 -21.656 -2.243 1.00 11.35 C ATOM 405 O ASN A 22 8.230 -22.021 -1.316 1.00 3.22 O ATOM 406 CB ASN A 22 11.288 -22.445 -2.674 1.00 23.21 C ATOM 407 CG ASN A 22 11.886 -23.618 -1.921 1.00 3.12 C ATOM 408 OD1 ASN A 22 12.978 -24.086 -2.244 1.00 40.12 O ATOM 409 ND2 ASN A 22 11.171 -24.099 -0.910 1.00 41.54 N ATOM 0 H ASN A 22 9.782 -21.608 -4.823 1.00 33.24 H new ATOM 0 HA ASN A 22 9.519 -23.665 -2.705 1.00 72.15 H new ATOM 0 HB2 ASN A 22 11.847 -22.286 -3.596 1.00 23.21 H new ATOM 0 HB3 ASN A 22 11.395 -21.540 -2.076 1.00 23.21 H new ATOM 0 HD21 ASN A 22 11.522 -24.887 -0.366 1.00 41.54 H new ATOM 0 HD22 ASN A 22 10.271 -23.680 -0.677 1.00 41.54 H new ATOM 416 N PHE A 23 9.041 -20.390 -2.637 1.00 14.54 N ATOM 417 CA PHE A 23 8.274 -19.333 -1.987 1.00 52.44 C ATOM 418 C PHE A 23 6.994 -19.034 -2.763 1.00 43.12 C ATOM 419 O PHE A 23 7.003 -18.267 -3.725 1.00 63.33 O ATOM 420 CB PHE A 23 9.118 -18.062 -1.865 1.00 70.34 C ATOM 421 CG PHE A 23 9.678 -17.586 -3.175 1.00 72.54 C ATOM 422 CD1 PHE A 23 9.140 -16.480 -3.813 1.00 21.02 C ATOM 423 CD2 PHE A 23 10.742 -18.246 -3.770 1.00 35.12 C ATOM 424 CE1 PHE A 23 9.653 -16.039 -5.018 1.00 61.33 C ATOM 425 CE2 PHE A 23 11.259 -17.810 -4.975 1.00 10.22 C ATOM 426 CZ PHE A 23 10.713 -16.706 -5.600 1.00 43.14 C ATOM 0 H PHE A 23 9.634 -20.071 -3.403 1.00 14.54 H new ATOM 0 HA PHE A 23 8.002 -19.677 -0.989 1.00 52.44 H new ATOM 0 HB2 PHE A 23 8.507 -17.270 -1.431 1.00 70.34 H new ATOM 0 HB3 PHE A 23 9.940 -18.246 -1.173 1.00 70.34 H new ATOM 0 HD1 PHE A 23 8.310 -15.956 -3.363 1.00 21.02 H new ATOM 0 HD2 PHE A 23 11.172 -19.111 -3.286 1.00 35.12 H new ATOM 0 HE1 PHE A 23 9.226 -15.174 -5.504 1.00 61.33 H new ATOM 0 HE2 PHE A 23 12.089 -18.332 -5.428 1.00 10.22 H new ATOM 0 HZ PHE A 23 11.115 -16.365 -6.543 1.00 43.14 H new ATOM 436 N GLY A 24 5.894 -19.647 -2.337 1.00 11.21 N ATOM 437 CA GLY A 24 4.622 -19.435 -3.002 1.00 72.14 C ATOM 438 C GLY A 24 4.329 -17.967 -3.239 1.00 54.11 C ATOM 439 O GLY A 24 4.713 -17.408 -4.267 1.00 11.34 O ATOM 0 H GLY A 24 5.861 -20.287 -1.543 1.00 11.21 H new ATOM 0 HA2 GLY A 24 4.623 -19.961 -3.957 1.00 72.14 H new ATOM 0 HA3 GLY A 24 3.824 -19.869 -2.400 1.00 72.14 H new ATOM 443 N TYR A 25 3.645 -17.341 -2.288 1.00 32.13 N ATOM 444 CA TYR A 25 3.296 -15.930 -2.399 1.00 44.44 C ATOM 445 C TYR A 25 3.588 -15.192 -1.096 1.00 51.23 C ATOM 446 O TYR A 25 2.800 -15.240 -0.151 1.00 0.00 O ATOM 447 CB TYR A 25 1.820 -15.775 -2.767 1.00 13.32 C ATOM 448 CG TYR A 25 1.577 -14.814 -3.909 1.00 65.54 C ATOM 449 CD1 TYR A 25 1.964 -15.134 -5.205 1.00 61.32 C ATOM 450 CD2 TYR A 25 0.963 -13.587 -3.693 1.00 61.23 C ATOM 451 CE1 TYR A 25 1.746 -14.260 -6.252 1.00 54.12 C ATOM 452 CE2 TYR A 25 0.739 -12.707 -4.734 1.00 63.44 C ATOM 453 CZ TYR A 25 1.132 -13.048 -6.012 1.00 24.11 C ATOM 454 OH TYR A 25 0.912 -12.174 -7.051 1.00 45.34 O ATOM 0 H TYR A 25 3.321 -17.789 -1.431 1.00 32.13 H new ATOM 0 HA TYR A 25 3.908 -15.492 -3.188 1.00 44.44 H new ATOM 0 HB2 TYR A 25 1.416 -16.752 -3.033 1.00 13.32 H new ATOM 0 HB3 TYR A 25 1.270 -15.431 -1.891 1.00 13.32 H new ATOM 0 HD1 TYR A 25 2.444 -16.083 -5.397 1.00 61.32 H new ATOM 0 HD2 TYR A 25 0.655 -13.316 -2.694 1.00 61.23 H new ATOM 0 HE1 TYR A 25 2.054 -14.524 -7.253 1.00 54.12 H new ATOM 0 HE2 TYR A 25 0.259 -11.757 -4.549 1.00 63.44 H new ATOM 0 HH TYR A 25 0.470 -11.368 -6.712 1.00 45.34 H new ATOM 464 N THR A 26 4.727 -14.507 -1.053 1.00 71.33 N ATOM 465 CA THR A 26 5.125 -13.759 0.132 1.00 33.14 C ATOM 466 C THR A 26 4.482 -12.377 0.152 1.00 41.04 C ATOM 467 O THR A 26 4.504 -11.685 1.170 1.00 12.04 O ATOM 468 CB THR A 26 6.655 -13.602 0.210 1.00 21.35 C ATOM 469 OG1 THR A 26 7.068 -13.499 1.578 1.00 52.02 O ATOM 470 CG2 THR A 26 7.113 -12.371 -0.557 1.00 72.31 C ATOM 0 H THR A 26 5.390 -14.455 -1.826 1.00 71.33 H new ATOM 0 HA THR A 26 4.781 -14.329 0.995 1.00 33.14 H new ATOM 0 HB THR A 26 7.112 -14.483 -0.242 1.00 21.35 H new ATOM 0 HG1 THR A 26 8.042 -13.401 1.619 1.00 52.02 H new ATOM 0 HG21 THR A 26 8.197 -12.281 -0.487 1.00 72.31 H new ATOM 0 HG22 THR A 26 6.823 -12.466 -1.604 1.00 72.31 H new ATOM 0 HG23 THR A 26 6.647 -11.483 -0.131 1.00 72.31 H new ATOM 478 N LEU A 27 3.910 -11.980 -0.980 1.00 31.03 N ATOM 479 CA LEU A 27 3.259 -10.679 -1.093 1.00 24.24 C ATOM 480 C LEU A 27 2.034 -10.603 -0.187 1.00 40.35 C ATOM 481 O LEU A 27 1.655 -9.525 0.272 1.00 44.15 O ATOM 482 CB LEU A 27 2.853 -10.414 -2.543 1.00 62.44 C ATOM 483 CG LEU A 27 3.627 -11.191 -3.609 1.00 74.24 C ATOM 484 CD1 LEU A 27 3.214 -10.741 -5.002 1.00 63.13 C ATOM 485 CD2 LEU A 27 5.126 -11.018 -3.413 1.00 33.10 C ATOM 0 H LEU A 27 3.884 -12.540 -1.832 1.00 31.03 H new ATOM 0 HA LEU A 27 3.970 -9.916 -0.777 1.00 24.24 H new ATOM 0 HB2 LEU A 27 1.793 -10.646 -2.651 1.00 62.44 H new ATOM 0 HB3 LEU A 27 2.968 -9.349 -2.743 1.00 62.44 H new ATOM 0 HG LEU A 27 3.388 -12.249 -3.505 1.00 74.24 H new ATOM 0 HD11 LEU A 27 3.775 -11.305 -5.748 1.00 63.13 H new ATOM 0 HD12 LEU A 27 2.147 -10.918 -5.140 1.00 63.13 H new ATOM 0 HD13 LEU A 27 3.423 -9.678 -5.118 1.00 63.13 H new ATOM 0 HD21 LEU A 27 5.660 -11.578 -4.181 1.00 33.10 H new ATOM 0 HD22 LEU A 27 5.383 -9.962 -3.489 1.00 33.10 H new ATOM 0 HD23 LEU A 27 5.410 -11.390 -2.429 1.00 33.10 H new ATOM 497 N ARG A 28 1.420 -11.753 0.067 1.00 73.54 N ATOM 498 CA ARG A 28 0.238 -11.817 0.918 1.00 51.01 C ATOM 499 C ARG A 28 0.520 -11.205 2.287 1.00 64.11 C ATOM 500 O ARG A 28 -0.340 -11.207 3.168 1.00 43.43 O ATOM 501 CB ARG A 28 -0.222 -13.267 1.081 1.00 54.25 C ATOM 502 CG ARG A 28 0.686 -14.098 1.972 1.00 41.15 C ATOM 503 CD ARG A 28 0.448 -15.587 1.776 1.00 72.02 C ATOM 504 NE ARG A 28 -0.638 -16.083 2.617 1.00 55.42 N ATOM 505 CZ ARG A 28 -0.509 -16.327 3.916 1.00 20.30 C ATOM 506 NH1 ARG A 28 0.654 -16.123 4.520 1.00 55.21 N ATOM 507 NH2 ARG A 28 -1.544 -16.777 4.614 1.00 20.00 N ATOM 0 H ARG A 28 1.721 -12.654 -0.304 1.00 73.54 H new ATOM 0 HA ARG A 28 -0.555 -11.243 0.439 1.00 51.01 H new ATOM 0 HB2 ARG A 28 -1.230 -13.275 1.496 1.00 54.25 H new ATOM 0 HB3 ARG A 28 -0.278 -13.734 0.098 1.00 54.25 H new ATOM 0 HG2 ARG A 28 1.727 -13.863 1.752 1.00 41.15 H new ATOM 0 HG3 ARG A 28 0.513 -13.835 3.016 1.00 41.15 H new ATOM 0 HD2 ARG A 28 0.214 -15.782 0.729 1.00 72.02 H new ATOM 0 HD3 ARG A 28 1.363 -16.134 2.005 1.00 72.02 H new ATOM 0 HE ARG A 28 -1.545 -16.251 2.183 1.00 55.42 H new ATOM 0 HH11 ARG A 28 1.452 -15.778 3.987 1.00 55.21 H new ATOM 0 HH12 ARG A 28 0.750 -16.311 5.518 1.00 55.21 H new ATOM 0 HH21 ARG A 28 -2.440 -16.936 4.153 1.00 20.00 H new ATOM 0 HH22 ARG A 28 -1.444 -16.964 5.612 1.00 20.00 H new