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 15 THR OG1 : rot -73:sc= -1.14 USER MOD Set 1.2: A 16 HIS : no HD1:sc= 0 X(o=-1.1,f=-1.2) USER MOD Single : A 1 LYS N :NH3+ -156:sc= -1.75 (180deg=-3.23) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 73:sc= 0.798 USER MOD Single : A 6 THR OG1 : rot 46:sc= 0.782 USER MOD Single : A 8 HIS : no HD1:sc= -0.0913 X(o=-0.091,f=-0.1) USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 42:sc= 0.844 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -9.012 1.366 -1.517 1.00 12.44 N ATOM 2 CA LYS A 1 -9.995 1.419 -0.441 1.00 74.22 C ATOM 3 C LYS A 1 -10.938 0.221 -0.507 1.00 4.04 C ATOM 4 O LYS A 1 -11.780 0.033 0.372 1.00 63.33 O ATOM 5 CB LYS A 1 -10.799 2.719 -0.520 1.00 74.53 C ATOM 6 CG LYS A 1 -9.972 3.963 -0.249 1.00 50.00 C ATOM 7 CD LYS A 1 -9.583 4.065 1.216 1.00 4.31 C ATOM 8 CE LYS A 1 -8.965 5.418 1.536 1.00 54.33 C ATOM 9 NZ LYS A 1 -7.641 5.593 0.877 1.00 14.40 N ATOM 0 H1 LYS A 1 -8.169 1.911 -1.244 1.00 12.44 H new ATOM 0 H2 LYS A 1 -8.743 0.377 -1.693 1.00 12.44 H new ATOM 0 H3 LYS A 1 -9.422 1.772 -2.382 1.00 12.44 H new ATOM 0 HA LYS A 1 -9.460 1.387 0.508 1.00 74.22 H new ATOM 0 HB2 LYS A 1 -11.247 2.800 -1.510 1.00 74.53 H new ATOM 0 HB3 LYS A 1 -11.618 2.674 0.198 1.00 74.53 H new ATOM 0 HG2 LYS A 1 -9.073 3.945 -0.865 1.00 50.00 H new ATOM 0 HG3 LYS A 1 -10.539 4.848 -0.539 1.00 50.00 H new ATOM 0 HD2 LYS A 1 -10.464 3.910 1.839 1.00 4.31 H new ATOM 0 HD3 LYS A 1 -8.875 3.273 1.462 1.00 4.31 H new ATOM 0 HE2 LYS A 1 -9.639 6.211 1.212 1.00 54.33 H new ATOM 0 HE3 LYS A 1 -8.850 5.518 2.615 1.00 54.33 H new ATOM 0 HZ1 LYS A 1 -7.253 6.527 1.120 1.00 14.40 H new ATOM 0 HZ2 LYS A 1 -6.989 4.852 1.205 1.00 14.40 H new ATOM 0 HZ3 LYS A 1 -7.755 5.523 -0.154 1.00 14.40 H new ATOM 23 N TYR A 2 -10.789 -0.586 -1.551 1.00 71.11 N ATOM 24 CA TYR A 2 -11.628 -1.765 -1.731 1.00 64.30 C ATOM 25 C TYR A 2 -10.781 -3.034 -1.776 1.00 53.12 C ATOM 26 O TYR A 2 -10.734 -3.796 -0.811 1.00 53.31 O ATOM 27 CB TYR A 2 -12.450 -1.641 -3.015 1.00 63.30 C ATOM 28 CG TYR A 2 -13.319 -2.846 -3.296 1.00 64.25 C ATOM 29 CD1 TYR A 2 -14.048 -3.453 -2.281 1.00 60.44 C ATOM 30 CD2 TYR A 2 -13.410 -3.378 -4.577 1.00 24.23 C ATOM 31 CE1 TYR A 2 -14.843 -4.555 -2.534 1.00 3.14 C ATOM 32 CE2 TYR A 2 -14.203 -4.478 -4.838 1.00 61.43 C ATOM 33 CZ TYR A 2 -14.917 -5.063 -3.814 1.00 33.34 C ATOM 34 OH TYR A 2 -15.708 -6.160 -4.070 1.00 24.32 O ATOM 0 H TYR A 2 -10.095 -0.446 -2.286 1.00 71.11 H new ATOM 0 HA TYR A 2 -12.305 -1.831 -0.879 1.00 64.30 H new ATOM 0 HB2 TYR A 2 -13.082 -0.755 -2.948 1.00 63.30 H new ATOM 0 HB3 TYR A 2 -11.774 -1.487 -3.856 1.00 63.30 H new ATOM 0 HD1 TYR A 2 -13.993 -3.057 -1.278 1.00 60.44 H new ATOM 0 HD2 TYR A 2 -12.851 -2.923 -5.382 1.00 24.23 H new ATOM 0 HE1 TYR A 2 -15.403 -5.016 -1.734 1.00 3.14 H new ATOM 0 HE2 TYR A 2 -14.264 -4.878 -5.839 1.00 61.43 H new ATOM 0 HH TYR A 2 -15.650 -6.390 -5.021 1.00 24.32 H new ATOM 44 N GLU A 3 -10.114 -3.252 -2.905 1.00 22.20 N ATOM 45 CA GLU A 3 -9.269 -4.428 -3.077 1.00 20.33 C ATOM 46 C GLU A 3 -7.991 -4.305 -2.252 1.00 20.20 C ATOM 47 O GLU A 3 -7.224 -5.261 -2.130 1.00 72.00 O ATOM 48 CB GLU A 3 -8.919 -4.621 -4.554 1.00 32.12 C ATOM 49 CG GLU A 3 -9.666 -5.769 -5.211 1.00 73.24 C ATOM 50 CD GLU A 3 -10.506 -5.319 -6.391 1.00 70.21 C ATOM 51 OE1 GLU A 3 -11.731 -5.564 -6.375 1.00 24.05 O ATOM 52 OE2 GLU A 3 -9.939 -4.723 -7.330 1.00 53.24 O ATOM 0 H GLU A 3 -10.142 -2.630 -3.713 1.00 22.20 H new ATOM 0 HA GLU A 3 -9.825 -5.297 -2.726 1.00 20.33 H new ATOM 0 HB2 GLU A 3 -9.138 -3.700 -5.094 1.00 32.12 H new ATOM 0 HB3 GLU A 3 -7.847 -4.797 -4.645 1.00 32.12 H new ATOM 0 HG2 GLU A 3 -8.950 -6.520 -5.545 1.00 73.24 H new ATOM 0 HG3 GLU A 3 -10.310 -6.248 -4.473 1.00 73.24 H new ATOM 59 N ILE A 4 -7.769 -3.122 -1.689 1.00 21.42 N ATOM 60 CA ILE A 4 -6.585 -2.874 -0.876 1.00 20.33 C ATOM 61 C ILE A 4 -6.544 -3.802 0.334 1.00 74.12 C ATOM 62 O ILE A 4 -5.475 -4.098 0.868 1.00 32.24 O ATOM 63 CB ILE A 4 -6.532 -1.414 -0.390 1.00 45.31 C ATOM 64 CG1 ILE A 4 -7.798 -1.068 0.396 1.00 22.11 C ATOM 65 CG2 ILE A 4 -6.360 -0.469 -1.570 1.00 61.13 C ATOM 66 CD1 ILE A 4 -7.709 -1.413 1.866 1.00 35.42 C ATOM 0 H ILE A 4 -8.393 -2.321 -1.781 1.00 21.42 H new ATOM 0 HA ILE A 4 -5.720 -3.069 -1.510 1.00 20.33 H new ATOM 0 HB ILE A 4 -5.674 -1.298 0.272 1.00 45.31 H new ATOM 0 HG12 ILE A 4 -8.000 -0.002 0.293 1.00 22.11 H new ATOM 0 HG13 ILE A 4 -8.644 -1.597 -0.043 1.00 22.11 H new ATOM 0 HG21 ILE A 4 -6.324 0.559 -1.210 1.00 61.13 H new ATOM 0 HG22 ILE A 4 -5.432 -0.703 -2.092 1.00 61.13 H new ATOM 0 HG23 ILE A 4 -7.200 -0.585 -2.255 1.00 61.13 H new ATOM 0 HD11 ILE A 4 -8.641 -1.141 2.361 1.00 35.42 H new ATOM 0 HD12 ILE A 4 -7.538 -2.484 1.979 1.00 35.42 H new ATOM 0 HD13 ILE A 4 -6.884 -0.864 2.319 1.00 35.42 H new ATOM 78 N THR A 5 -7.717 -4.261 0.761 1.00 50.33 N ATOM 79 CA THR A 5 -7.816 -5.156 1.907 1.00 53.25 C ATOM 80 C THR A 5 -7.348 -6.562 1.548 1.00 11.43 C ATOM 81 O THR A 5 -6.820 -7.286 2.393 1.00 41.03 O ATOM 82 CB THR A 5 -9.260 -5.228 2.440 1.00 63.15 C ATOM 83 OG1 THR A 5 -10.096 -4.320 1.714 1.00 60.12 O ATOM 84 CG2 THR A 5 -9.306 -4.893 3.923 1.00 73.23 C ATOM 0 H THR A 5 -8.611 -4.027 0.330 1.00 50.33 H new ATOM 0 HA THR A 5 -7.170 -4.748 2.684 1.00 53.25 H new ATOM 0 HB THR A 5 -9.625 -6.246 2.302 1.00 63.15 H new ATOM 0 HG1 THR A 5 -10.255 -4.671 0.813 1.00 60.12 H new ATOM 0 HG21 THR A 5 -10.335 -4.950 4.277 1.00 73.23 H new ATOM 0 HG22 THR A 5 -8.692 -5.604 4.476 1.00 73.23 H new ATOM 0 HG23 THR A 5 -8.924 -3.884 4.080 1.00 73.23 H new ATOM 92 N THR A 6 -7.544 -6.943 0.290 1.00 41.02 N ATOM 93 CA THR A 6 -7.142 -8.263 -0.180 1.00 50.42 C ATOM 94 C THR A 6 -5.715 -8.244 -0.716 1.00 72.34 C ATOM 95 O THR A 6 -5.425 -7.579 -1.711 1.00 64.01 O ATOM 96 CB THR A 6 -8.086 -8.778 -1.283 1.00 11.21 C ATOM 97 OG1 THR A 6 -8.692 -7.674 -1.964 1.00 51.23 O ATOM 98 CG2 THR A 6 -9.167 -9.673 -0.695 1.00 41.34 C ATOM 0 H THR A 6 -7.979 -6.356 -0.422 1.00 41.02 H new ATOM 0 HA THR A 6 -7.197 -8.934 0.677 1.00 50.42 H new ATOM 0 HB THR A 6 -7.498 -9.362 -1.991 1.00 11.21 H new ATOM 0 HG1 THR A 6 -8.007 -7.008 -2.181 1.00 51.23 H new ATOM 0 HG21 THR A 6 -9.822 -10.025 -1.492 1.00 41.34 H new ATOM 0 HG22 THR A 6 -8.704 -10.528 -0.202 1.00 41.34 H new ATOM 0 HG23 THR A 6 -9.751 -9.108 0.032 1.00 41.34 H new ATOM 106 N ILE A 7 -4.829 -8.979 -0.052 1.00 51.34 N ATOM 107 CA ILE A 7 -3.433 -9.047 -0.464 1.00 64.53 C ATOM 108 C ILE A 7 -3.028 -10.479 -0.797 1.00 64.44 C ATOM 109 O ILE A 7 -2.909 -10.846 -1.967 1.00 25.42 O ATOM 110 CB ILE A 7 -2.495 -8.502 0.629 1.00 34.03 C ATOM 111 CG1 ILE A 7 -2.858 -7.054 0.966 1.00 23.24 C ATOM 112 CG2 ILE A 7 -1.045 -8.600 0.181 1.00 21.32 C ATOM 113 CD1 ILE A 7 -2.921 -6.777 2.452 1.00 30.42 C ATOM 0 H ILE A 7 -5.053 -9.535 0.773 1.00 51.34 H new ATOM 0 HA ILE A 7 -3.337 -8.427 -1.355 1.00 64.53 H new ATOM 0 HB ILE A 7 -2.618 -9.107 1.527 1.00 34.03 H new ATOM 0 HG12 ILE A 7 -2.124 -6.389 0.511 1.00 23.24 H new ATOM 0 HG13 ILE A 7 -3.823 -6.816 0.519 1.00 23.24 H new ATOM 0 HG21 ILE A 7 -0.395 -8.211 0.965 1.00 21.32 H new ATOM 0 HG22 ILE A 7 -0.794 -9.643 -0.014 1.00 21.32 H new ATOM 0 HG23 ILE A 7 -0.905 -8.017 -0.729 1.00 21.32 H new ATOM 0 HD11 ILE A 7 -3.183 -5.732 2.616 1.00 30.42 H new ATOM 0 HD12 ILE A 7 -3.675 -7.417 2.910 1.00 30.42 H new ATOM 0 HD13 ILE A 7 -1.950 -6.982 2.902 1.00 30.42 H new ATOM 125 N HIS A 8 -2.819 -11.286 0.239 1.00 43.34 N ATOM 126 CA HIS A 8 -2.429 -12.680 0.056 1.00 13.53 C ATOM 127 C HIS A 8 -3.563 -13.482 -0.576 1.00 3.03 C ATOM 128 O HIS A 8 -3.361 -14.607 -1.031 1.00 45.44 O ATOM 129 CB HIS A 8 -2.035 -13.300 1.397 1.00 61.44 C ATOM 130 CG HIS A 8 -1.161 -12.417 2.232 1.00 45.31 C ATOM 131 ND1 HIS A 8 -1.500 -12.009 3.505 1.00 43.43 N ATOM 132 CD2 HIS A 8 0.047 -11.864 1.970 1.00 10.14 C ATOM 133 CE1 HIS A 8 -0.539 -11.242 3.989 1.00 14.42 C ATOM 134 NE2 HIS A 8 0.411 -11.138 3.078 1.00 21.40 N ATOM 0 H HIS A 8 -2.913 -10.999 1.213 1.00 43.34 H new ATOM 0 HA HIS A 8 -1.570 -12.708 -0.615 1.00 13.53 H new ATOM 0 HB2 HIS A 8 -2.939 -13.537 1.958 1.00 61.44 H new ATOM 0 HB3 HIS A 8 -1.517 -14.242 1.214 1.00 61.44 H new ATOM 0 HD2 HIS A 8 0.618 -11.973 1.060 1.00 10.14 H new ATOM 0 HE1 HIS A 8 -0.532 -10.779 4.965 1.00 14.42 H new ATOM 0 HE2 HIS A 8 1.275 -10.605 3.180 1.00 21.40 H new ATOM 142 N ASN A 9 -4.755 -12.896 -0.598 1.00 53.33 N ATOM 143 CA ASN A 9 -5.921 -13.557 -1.173 1.00 72.01 C ATOM 144 C ASN A 9 -5.882 -13.501 -2.697 1.00 52.22 C ATOM 145 O ASN A 9 -6.535 -14.295 -3.376 1.00 12.22 O ATOM 146 CB ASN A 9 -7.207 -12.906 -0.660 1.00 53.23 C ATOM 147 CG ASN A 9 -7.885 -13.733 0.415 1.00 10.42 C ATOM 148 OD1 ASN A 9 -7.285 -14.046 1.443 1.00 1.14 O ATOM 149 ND2 ASN A 9 -9.142 -14.090 0.182 1.00 74.53 N ATOM 0 H ASN A 9 -4.939 -11.965 -0.225 1.00 53.33 H new ATOM 0 HA ASN A 9 -5.903 -14.603 -0.865 1.00 72.01 H new ATOM 0 HB2 ASN A 9 -6.977 -11.917 -0.263 1.00 53.23 H new ATOM 0 HB3 ASN A 9 -7.896 -12.763 -1.493 1.00 53.23 H new ATOM 0 HD21 ASN A 9 -9.650 -14.646 0.870 1.00 74.53 H new ATOM 0 HD22 ASN A 9 -9.600 -13.808 -0.685 1.00 74.53 H new ATOM 156 N LEU A 10 -5.112 -12.558 -3.229 1.00 72.03 N ATOM 157 CA LEU A 10 -4.987 -12.398 -4.674 1.00 4.22 C ATOM 158 C LEU A 10 -3.563 -12.696 -5.133 1.00 1.30 C ATOM 159 O LEU A 10 -3.334 -13.052 -6.289 1.00 61.00 O ATOM 160 CB LEU A 10 -5.381 -10.978 -5.086 1.00 20.44 C ATOM 161 CG LEU A 10 -4.709 -9.844 -4.311 1.00 55.20 C ATOM 162 CD1 LEU A 10 -3.288 -9.627 -4.807 1.00 30.55 C ATOM 163 CD2 LEU A 10 -5.520 -8.562 -4.434 1.00 1.34 C ATOM 0 H LEU A 10 -4.565 -11.893 -2.682 1.00 72.03 H new ATOM 0 HA LEU A 10 -5.660 -13.109 -5.153 1.00 4.22 H new ATOM 0 HB2 LEU A 10 -5.154 -10.852 -6.145 1.00 20.44 H new ATOM 0 HB3 LEU A 10 -6.461 -10.876 -4.977 1.00 20.44 H new ATOM 0 HG LEU A 10 -4.665 -10.124 -3.259 1.00 55.20 H new ATOM 0 HD11 LEU A 10 -2.826 -8.816 -4.244 1.00 30.55 H new ATOM 0 HD12 LEU A 10 -2.710 -10.541 -4.668 1.00 30.55 H new ATOM 0 HD13 LEU A 10 -3.308 -9.368 -5.866 1.00 30.55 H new ATOM 0 HD21 LEU A 10 -5.028 -7.765 -3.877 1.00 1.34 H new ATOM 0 HD22 LEU A 10 -5.595 -8.278 -5.484 1.00 1.34 H new ATOM 0 HD23 LEU A 10 -6.519 -8.723 -4.030 1.00 1.34 H new ATOM 175 N PHE A 11 -2.609 -12.549 -4.219 1.00 72.32 N ATOM 176 CA PHE A 11 -1.207 -12.804 -4.530 1.00 13.23 C ATOM 177 C PHE A 11 -0.927 -14.303 -4.592 1.00 55.52 C ATOM 178 O PHE A 11 -0.224 -14.849 -3.742 1.00 74.54 O ATOM 179 CB PHE A 11 -0.304 -12.148 -3.483 1.00 61.12 C ATOM 180 CG PHE A 11 0.049 -10.724 -3.804 1.00 4.00 C ATOM 181 CD1 PHE A 11 -0.290 -9.700 -2.935 1.00 3.50 C ATOM 182 CD2 PHE A 11 0.720 -10.410 -4.975 1.00 2.31 C ATOM 183 CE1 PHE A 11 0.034 -8.388 -3.227 1.00 2.10 C ATOM 184 CE2 PHE A 11 1.047 -9.100 -5.272 1.00 61.10 C ATOM 185 CZ PHE A 11 0.703 -8.088 -4.398 1.00 13.13 C ATOM 0 H PHE A 11 -2.781 -12.255 -3.258 1.00 72.32 H new ATOM 0 HA PHE A 11 -0.993 -12.372 -5.508 1.00 13.23 H new ATOM 0 HB2 PHE A 11 -0.802 -12.181 -2.514 1.00 61.12 H new ATOM 0 HB3 PHE A 11 0.613 -12.729 -3.390 1.00 61.12 H new ATOM 0 HD1 PHE A 11 -0.814 -9.929 -2.019 1.00 3.50 H new ATOM 0 HD2 PHE A 11 0.990 -11.197 -5.663 1.00 2.31 H new ATOM 0 HE1 PHE A 11 -0.235 -7.599 -2.541 1.00 2.10 H new ATOM 0 HE2 PHE A 11 1.571 -8.868 -6.187 1.00 61.10 H new ATOM 0 HZ PHE A 11 0.956 -7.064 -4.629 1.00 13.13 H new ATOM 195 N ARG A 12 -1.484 -14.960 -5.604 1.00 65.43 N ATOM 196 CA ARG A 12 -1.296 -16.396 -5.777 1.00 40.24 C ATOM 197 C ARG A 12 -0.641 -16.700 -7.122 1.00 34.32 C ATOM 198 O ARG A 12 0.561 -16.953 -7.196 1.00 43.12 O ATOM 199 CB ARG A 12 -2.638 -17.123 -5.675 1.00 61.12 C ATOM 200 CG ARG A 12 -3.173 -17.218 -4.256 1.00 2.24 C ATOM 201 CD ARG A 12 -3.935 -18.515 -4.033 1.00 0.41 C ATOM 202 NE ARG A 12 -4.387 -18.653 -2.651 1.00 72.31 N ATOM 203 CZ ARG A 12 -5.397 -17.961 -2.135 1.00 44.12 C ATOM 204 NH1 ARG A 12 -6.056 -17.086 -2.883 1.00 25.32 N ATOM 205 NH2 ARG A 12 -5.749 -18.143 -0.869 1.00 0.10 N ATOM 0 H ARG A 12 -2.068 -14.522 -6.316 1.00 65.43 H new ATOM 0 HA ARG A 12 -0.638 -16.750 -4.983 1.00 40.24 H new ATOM 0 HB2 ARG A 12 -3.370 -16.606 -6.296 1.00 61.12 H new ATOM 0 HB3 ARG A 12 -2.529 -18.129 -6.081 1.00 61.12 H new ATOM 0 HG2 ARG A 12 -2.346 -17.155 -3.549 1.00 2.24 H new ATOM 0 HG3 ARG A 12 -3.829 -16.371 -4.056 1.00 2.24 H new ATOM 0 HD2 ARG A 12 -4.796 -18.549 -4.701 1.00 0.41 H new ATOM 0 HD3 ARG A 12 -3.297 -19.360 -4.292 1.00 0.41 H new ATOM 0 HE ARG A 12 -3.900 -19.317 -2.049 1.00 72.31 H new ATOM 0 HH11 ARG A 12 -5.788 -16.943 -3.857 1.00 25.32 H new ATOM 0 HH12 ARG A 12 -6.831 -16.556 -2.485 1.00 25.32 H new ATOM 0 HH21 ARG A 12 -5.244 -18.815 -0.291 1.00 0.10 H new ATOM 0 HH22 ARG A 12 -6.525 -17.611 -0.474 1.00 0.10 H new ATOM 219 N LYS A 13 -1.441 -16.675 -8.183 1.00 31.15 N ATOM 220 CA LYS A 13 -0.941 -16.947 -9.525 1.00 32.41 C ATOM 221 C LYS A 13 -1.200 -15.764 -10.452 1.00 74.53 C ATOM 222 O LYS A 13 -0.355 -15.411 -11.276 1.00 31.13 O ATOM 223 CB LYS A 13 -1.600 -18.207 -10.091 1.00 74.11 C ATOM 224 CG LYS A 13 -3.112 -18.107 -10.198 1.00 12.14 C ATOM 225 CD LYS A 13 -3.724 -19.409 -10.685 1.00 73.35 C ATOM 226 CE LYS A 13 -4.824 -19.160 -11.706 1.00 70.34 C ATOM 227 NZ LYS A 13 -5.992 -20.059 -11.494 1.00 31.13 N ATOM 0 H LYS A 13 -2.439 -16.469 -8.139 1.00 31.15 H new ATOM 0 HA LYS A 13 0.135 -17.106 -9.460 1.00 32.41 H new ATOM 0 HB2 LYS A 13 -1.187 -18.410 -11.079 1.00 74.11 H new ATOM 0 HB3 LYS A 13 -1.344 -19.056 -9.458 1.00 74.11 H new ATOM 0 HG2 LYS A 13 -3.530 -17.849 -9.225 1.00 12.14 H new ATOM 0 HG3 LYS A 13 -3.377 -17.301 -10.883 1.00 12.14 H new ATOM 0 HD2 LYS A 13 -2.949 -20.033 -11.129 1.00 73.35 H new ATOM 0 HD3 LYS A 13 -4.131 -19.961 -9.837 1.00 73.35 H new ATOM 0 HE2 LYS A 13 -5.149 -18.121 -11.643 1.00 70.34 H new ATOM 0 HE3 LYS A 13 -4.428 -19.310 -12.710 1.00 70.34 H new ATOM 0 HZ1 LYS A 13 -6.719 -19.858 -12.210 1.00 31.13 H new ATOM 0 HZ2 LYS A 13 -5.687 -21.050 -11.579 1.00 31.13 H new ATOM 0 HZ3 LYS A 13 -6.386 -19.898 -10.545 1.00 31.13 H new ATOM 241 N LEU A 14 -2.373 -15.155 -10.313 1.00 24.20 N ATOM 242 CA LEU A 14 -2.742 -14.010 -11.138 1.00 35.14 C ATOM 243 C LEU A 14 -1.745 -12.869 -10.964 1.00 32.11 C ATOM 244 O LEU A 14 -1.656 -11.974 -11.805 1.00 64.12 O ATOM 245 CB LEU A 14 -4.150 -13.531 -10.778 1.00 72.44 C ATOM 246 CG LEU A 14 -4.459 -13.416 -9.285 1.00 73.13 C ATOM 247 CD1 LEU A 14 -5.069 -12.059 -8.970 1.00 3.14 C ATOM 248 CD2 LEU A 14 -5.391 -14.536 -8.845 1.00 65.33 C ATOM 0 H LEU A 14 -3.084 -15.435 -9.637 1.00 24.20 H new ATOM 0 HA LEU A 14 -2.727 -14.325 -12.181 1.00 35.14 H new ATOM 0 HB2 LEU A 14 -4.309 -12.555 -11.238 1.00 72.44 H new ATOM 0 HB3 LEU A 14 -4.870 -14.215 -11.226 1.00 72.44 H new ATOM 0 HG LEU A 14 -3.524 -13.510 -8.732 1.00 73.13 H new ATOM 0 HD11 LEU A 14 -5.282 -11.995 -7.903 1.00 3.14 H new ATOM 0 HD12 LEU A 14 -4.368 -11.272 -9.248 1.00 3.14 H new ATOM 0 HD13 LEU A 14 -5.994 -11.936 -9.533 1.00 3.14 H new ATOM 0 HD21 LEU A 14 -5.600 -14.438 -7.780 1.00 65.33 H new ATOM 0 HD22 LEU A 14 -6.324 -14.474 -9.405 1.00 65.33 H new ATOM 0 HD23 LEU A 14 -4.917 -15.499 -9.035 1.00 65.33 H new ATOM 260 N THR A 15 -0.995 -12.908 -9.867 1.00 44.32 N ATOM 261 CA THR A 15 -0.003 -11.878 -9.583 1.00 62.33 C ATOM 262 C THR A 15 1.391 -12.326 -10.007 1.00 62.13 C ATOM 263 O THR A 15 2.048 -11.666 -10.814 1.00 31.25 O ATOM 264 CB THR A 15 0.019 -11.517 -8.086 1.00 25.50 C ATOM 265 OG1 THR A 15 0.355 -12.672 -7.309 1.00 22.33 O ATOM 266 CG2 THR A 15 -1.330 -10.974 -7.640 1.00 63.40 C ATOM 0 H THR A 15 -1.056 -13.642 -9.161 1.00 44.32 H new ATOM 0 HA THR A 15 -0.289 -10.997 -10.157 1.00 62.33 H new ATOM 0 HB THR A 15 0.772 -10.744 -7.932 1.00 25.50 H new ATOM 0 HG1 THR A 15 -0.406 -13.289 -7.294 1.00 22.33 H new ATOM 0 HG21 THR A 15 -1.290 -10.726 -6.579 1.00 63.40 H new ATOM 0 HG22 THR A 15 -1.569 -10.078 -8.213 1.00 63.40 H new ATOM 0 HG23 THR A 15 -2.099 -11.728 -7.807 1.00 63.40 H new ATOM 274 N HIS A 16 1.838 -13.452 -9.460 1.00 2.11 N ATOM 275 CA HIS A 16 3.155 -13.989 -9.783 1.00 43.21 C ATOM 276 C HIS A 16 3.261 -14.310 -11.271 1.00 1.50 C ATOM 277 O HIS A 16 4.360 -14.449 -11.809 1.00 54.21 O ATOM 278 CB HIS A 16 3.434 -15.245 -8.958 1.00 32.34 C ATOM 279 CG HIS A 16 4.172 -14.973 -7.683 1.00 64.33 C ATOM 280 ND1 HIS A 16 3.783 -14.008 -6.779 1.00 50.21 N ATOM 281 CD2 HIS A 16 5.282 -15.548 -7.163 1.00 71.22 C ATOM 282 CE1 HIS A 16 4.622 -13.999 -5.759 1.00 30.32 C ATOM 283 NE2 HIS A 16 5.541 -14.925 -5.967 1.00 73.11 N ATOM 0 H HIS A 16 1.308 -14.010 -8.791 1.00 2.11 H new ATOM 0 HA HIS A 16 3.899 -13.231 -9.539 1.00 43.21 H new ATOM 0 HB2 HIS A 16 2.488 -15.733 -8.724 1.00 32.34 H new ATOM 0 HB3 HIS A 16 4.013 -15.945 -9.561 1.00 32.34 H new ATOM 0 HD2 HIS A 16 5.857 -16.348 -7.606 1.00 71.22 H new ATOM 0 HE1 HIS A 16 4.566 -13.346 -4.901 1.00 30.32 H new ATOM 0 HE2 HIS A 16 6.317 -15.142 -5.341 1.00 73.11 H new ATOM 291 N ARG A 17 2.113 -14.426 -11.929 1.00 75.13 N ATOM 292 CA ARG A 17 2.076 -14.732 -13.354 1.00 64.43 C ATOM 293 C ARG A 17 2.964 -13.771 -14.140 1.00 31.23 C ATOM 294 O ARG A 17 3.665 -14.175 -15.069 1.00 12.13 O ATOM 295 CB ARG A 17 0.640 -14.660 -13.877 1.00 25.11 C ATOM 296 CG ARG A 17 0.008 -16.022 -14.110 1.00 33.34 C ATOM 297 CD ARG A 17 -1.473 -15.901 -14.436 1.00 4.44 C ATOM 298 NE ARG A 17 -1.830 -16.640 -15.644 1.00 4.44 N ATOM 299 CZ ARG A 17 -3.082 -16.890 -16.009 1.00 10.03 C ATOM 300 NH1 ARG A 17 -4.092 -16.462 -15.263 1.00 64.22 N ATOM 301 NH2 ARG A 17 -3.327 -17.569 -17.122 1.00 64.02 N ATOM 0 H ARG A 17 1.195 -14.313 -11.498 1.00 75.13 H new ATOM 0 HA ARG A 17 2.455 -15.745 -13.492 1.00 64.43 H new ATOM 0 HB2 ARG A 17 0.031 -14.103 -13.165 1.00 25.11 H new ATOM 0 HB3 ARG A 17 0.630 -14.100 -14.812 1.00 25.11 H new ATOM 0 HG2 ARG A 17 0.522 -16.527 -14.928 1.00 33.34 H new ATOM 0 HG3 ARG A 17 0.137 -16.641 -13.222 1.00 33.34 H new ATOM 0 HD2 ARG A 17 -2.060 -16.273 -13.597 1.00 4.44 H new ATOM 0 HD3 ARG A 17 -1.731 -14.850 -14.565 1.00 4.44 H new ATOM 0 HE ARG A 17 -1.076 -16.983 -16.240 1.00 4.44 H new ATOM 0 HH11 ARG A 17 -3.908 -15.939 -14.407 1.00 64.22 H new ATOM 0 HH12 ARG A 17 -5.053 -16.655 -15.546 1.00 64.22 H new ATOM 0 HH21 ARG A 17 -2.553 -17.900 -17.698 1.00 64.02 H new ATOM 0 HH22 ARG A 17 -4.289 -17.760 -17.401 1.00 64.02 H new ATOM 315 N LEU A 18 2.929 -12.498 -13.761 1.00 74.41 N ATOM 316 CA LEU A 18 3.729 -11.479 -14.430 1.00 2.31 C ATOM 317 C LEU A 18 4.685 -10.807 -13.449 1.00 53.41 C ATOM 318 O LEU A 18 5.791 -10.410 -13.817 1.00 31.45 O ATOM 319 CB LEU A 18 2.821 -10.430 -15.074 1.00 73.22 C ATOM 320 CG LEU A 18 1.839 -9.726 -14.137 1.00 42.40 C ATOM 321 CD1 LEU A 18 2.339 -8.332 -13.790 1.00 4.00 C ATOM 322 CD2 LEU A 18 0.456 -9.656 -14.768 1.00 20.13 C ATOM 0 H LEU A 18 2.355 -12.147 -12.994 1.00 74.41 H new ATOM 0 HA LEU A 18 4.318 -11.967 -15.207 1.00 2.31 H new ATOM 0 HB2 LEU A 18 3.450 -9.674 -15.544 1.00 73.22 H new ATOM 0 HB3 LEU A 18 2.252 -10.911 -15.870 1.00 73.22 H new ATOM 0 HG LEU A 18 1.767 -10.304 -13.216 1.00 42.40 H new ATOM 0 HD11 LEU A 18 1.627 -7.846 -13.122 1.00 4.00 H new ATOM 0 HD12 LEU A 18 3.308 -8.405 -13.296 1.00 4.00 H new ATOM 0 HD13 LEU A 18 2.440 -7.744 -14.702 1.00 4.00 H new ATOM 0 HD21 LEU A 18 -0.230 -9.152 -14.087 1.00 20.13 H new ATOM 0 HD22 LEU A 18 0.511 -9.101 -15.704 1.00 20.13 H new ATOM 0 HD23 LEU A 18 0.095 -10.665 -14.965 1.00 20.13 H new ATOM 334 N PHE A 19 4.251 -10.683 -12.199 1.00 70.20 N ATOM 335 CA PHE A 19 5.068 -10.060 -11.164 1.00 62.23 C ATOM 336 C PHE A 19 6.375 -10.823 -10.971 1.00 24.22 C ATOM 337 O PHE A 19 7.408 -10.235 -10.650 1.00 42.13 O ATOM 338 CB PHE A 19 4.298 -10.002 -9.843 1.00 45.52 C ATOM 339 CG PHE A 19 4.740 -8.884 -8.941 1.00 72.44 C ATOM 340 CD1 PHE A 19 3.903 -7.809 -8.688 1.00 62.40 C ATOM 341 CD2 PHE A 19 5.991 -8.909 -8.348 1.00 24.14 C ATOM 342 CE1 PHE A 19 4.306 -6.780 -7.858 1.00 41.24 C ATOM 343 CE2 PHE A 19 6.399 -7.883 -7.517 1.00 5.32 C ATOM 344 CZ PHE A 19 5.556 -6.816 -7.273 1.00 24.21 C ATOM 0 H PHE A 19 3.338 -11.006 -11.878 1.00 70.20 H new ATOM 0 HA PHE A 19 5.304 -9.045 -11.484 1.00 62.23 H new ATOM 0 HB2 PHE A 19 3.235 -9.888 -10.056 1.00 45.52 H new ATOM 0 HB3 PHE A 19 4.418 -10.950 -9.319 1.00 45.52 H new ATOM 0 HD1 PHE A 19 2.925 -7.775 -9.145 1.00 62.40 H new ATOM 0 HD2 PHE A 19 6.655 -9.739 -8.537 1.00 24.14 H new ATOM 0 HE1 PHE A 19 3.644 -5.949 -7.667 1.00 41.24 H new ATOM 0 HE2 PHE A 19 7.376 -7.915 -7.059 1.00 5.32 H new ATOM 0 HZ PHE A 19 5.874 -6.012 -6.626 1.00 24.21 H new ATOM 354 N ARG A 20 6.322 -12.136 -11.168 1.00 33.55 N ATOM 355 CA ARG A 20 7.500 -12.981 -11.013 1.00 40.12 C ATOM 356 C ARG A 20 8.083 -13.354 -12.373 1.00 22.31 C ATOM 357 O ARG A 20 8.587 -14.462 -12.560 1.00 51.13 O ATOM 358 CB ARG A 20 7.147 -14.248 -10.232 1.00 71.24 C ATOM 359 CG ARG A 20 8.256 -14.723 -9.308 1.00 61.12 C ATOM 360 CD ARG A 20 8.416 -16.234 -9.361 1.00 20.44 C ATOM 361 NE ARG A 20 9.463 -16.642 -10.293 1.00 64.02 N ATOM 362 CZ ARG A 20 9.914 -17.888 -10.394 1.00 55.31 C ATOM 363 NH1 ARG A 20 9.410 -18.842 -9.624 1.00 70.52 N ATOM 364 NH2 ARG A 20 10.869 -18.181 -11.267 1.00 50.51 N ATOM 0 H ARG A 20 5.475 -12.638 -11.435 1.00 33.55 H new ATOM 0 HA ARG A 20 8.250 -12.418 -10.457 1.00 40.12 H new ATOM 0 HB2 ARG A 20 6.249 -14.063 -9.643 1.00 71.24 H new ATOM 0 HB3 ARG A 20 6.907 -15.044 -10.937 1.00 71.24 H new ATOM 0 HG2 ARG A 20 9.195 -14.246 -9.590 1.00 61.12 H new ATOM 0 HG3 ARG A 20 8.036 -14.415 -8.286 1.00 61.12 H new ATOM 0 HD2 ARG A 20 8.652 -16.609 -8.365 1.00 20.44 H new ATOM 0 HD3 ARG A 20 7.470 -16.688 -9.657 1.00 20.44 H new ATOM 0 HE ARG A 20 9.871 -15.931 -10.900 1.00 64.02 H new ATOM 0 HH11 ARG A 20 8.675 -18.620 -8.953 1.00 70.52 H new ATOM 0 HH12 ARG A 20 9.757 -19.798 -9.703 1.00 70.52 H new ATOM 0 HH21 ARG A 20 11.258 -17.449 -11.862 1.00 50.51 H new ATOM 0 HH22 ARG A 20 11.214 -19.138 -11.343 1.00 50.51 H new ATOM 378 N ARG A 21 8.010 -12.423 -13.318 1.00 45.11 N ATOM 379 CA ARG A 21 8.529 -12.655 -14.661 1.00 3.33 C ATOM 380 C ARG A 21 9.685 -11.707 -14.968 1.00 61.11 C ATOM 381 O ARG A 21 10.847 -12.110 -14.970 1.00 63.33 O ATOM 382 CB ARG A 21 7.419 -12.475 -15.698 1.00 30.24 C ATOM 383 CG ARG A 21 7.915 -12.516 -17.134 1.00 14.41 C ATOM 384 CD ARG A 21 7.144 -13.533 -17.961 1.00 10.03 C ATOM 385 NE ARG A 21 6.907 -13.064 -19.324 1.00 24.35 N ATOM 386 CZ ARG A 21 6.129 -13.697 -20.194 1.00 35.54 C ATOM 387 NH1 ARG A 21 5.514 -14.819 -19.844 1.00 60.24 N ATOM 388 NH2 ARG A 21 5.963 -13.208 -21.416 1.00 34.32 N ATOM 0 H ARG A 21 7.597 -11.501 -13.179 1.00 45.11 H new ATOM 0 HA ARG A 21 8.899 -13.679 -14.709 1.00 3.33 H new ATOM 0 HB2 ARG A 21 6.672 -13.257 -15.558 1.00 30.24 H new ATOM 0 HB3 ARG A 21 6.920 -11.522 -15.522 1.00 30.24 H new ATOM 0 HG2 ARG A 21 7.814 -11.528 -17.583 1.00 14.41 H new ATOM 0 HG3 ARG A 21 8.976 -12.765 -17.147 1.00 14.41 H new ATOM 0 HD2 ARG A 21 7.699 -14.471 -17.992 1.00 10.03 H new ATOM 0 HD3 ARG A 21 6.189 -13.743 -17.479 1.00 10.03 H new ATOM 0 HE ARG A 21 7.364 -12.203 -19.624 1.00 24.35 H new ATOM 0 HH11 ARG A 21 5.638 -15.197 -18.905 1.00 60.24 H new ATOM 0 HH12 ARG A 21 4.917 -15.304 -20.514 1.00 60.24 H new ATOM 0 HH21 ARG A 21 6.433 -12.345 -21.688 1.00 34.32 H new ATOM 0 HH22 ARG A 21 5.365 -13.695 -22.083 1.00 34.32 H new ATOM 402 N ASN A 22 9.356 -10.446 -15.228 1.00 4.34 N ATOM 403 CA ASN A 22 10.367 -9.441 -15.538 1.00 12.25 C ATOM 404 C ASN A 22 10.709 -8.614 -14.302 1.00 31.24 C ATOM 405 O ASN A 22 11.841 -8.159 -14.140 1.00 43.20 O ATOM 406 CB ASN A 22 9.876 -8.523 -16.659 1.00 1.10 C ATOM 407 CG ASN A 22 10.500 -8.862 -17.999 1.00 24.23 C ATOM 408 OD1 ASN A 22 11.644 -8.497 -18.274 1.00 34.34 O ATOM 409 ND2 ASN A 22 9.750 -9.564 -18.840 1.00 61.01 N ATOM 0 H ASN A 22 8.398 -10.096 -15.230 1.00 4.34 H new ATOM 0 HA ASN A 22 11.268 -9.958 -15.868 1.00 12.25 H new ATOM 0 HB2 ASN A 22 8.791 -8.598 -16.737 1.00 1.10 H new ATOM 0 HB3 ASN A 22 10.107 -7.488 -16.405 1.00 1.10 H new ATOM 0 HD21 ASN A 22 10.116 -9.822 -19.756 1.00 61.01 H new ATOM 0 HD22 ASN A 22 8.807 -9.845 -18.570 1.00 61.01 H new ATOM 416 N PHE A 23 9.722 -8.425 -13.432 1.00 4.14 N ATOM 417 CA PHE A 23 9.918 -7.653 -12.210 1.00 2.01 C ATOM 418 C PHE A 23 10.995 -8.286 -11.333 1.00 75.21 C ATOM 419 O PHE A 23 11.641 -7.607 -10.536 1.00 54.04 O ATOM 420 CB PHE A 23 8.605 -7.550 -11.431 1.00 4.31 C ATOM 421 CG PHE A 23 7.930 -6.215 -11.569 1.00 30.23 C ATOM 422 CD1 PHE A 23 8.187 -5.197 -10.664 1.00 74.34 C ATOM 423 CD2 PHE A 23 7.038 -5.979 -12.602 1.00 51.13 C ATOM 424 CE1 PHE A 23 7.567 -3.968 -10.789 1.00 0.14 C ATOM 425 CE2 PHE A 23 6.416 -4.752 -12.732 1.00 12.42 C ATOM 426 CZ PHE A 23 6.680 -3.745 -11.823 1.00 73.31 C ATOM 0 H PHE A 23 8.779 -8.796 -13.550 1.00 4.14 H new ATOM 0 HA PHE A 23 10.246 -6.652 -12.491 1.00 2.01 H new ATOM 0 HB2 PHE A 23 7.925 -8.329 -11.775 1.00 4.31 H new ATOM 0 HB3 PHE A 23 8.801 -7.742 -10.376 1.00 4.31 H new ATOM 0 HD1 PHE A 23 8.879 -5.366 -9.852 1.00 74.34 H new ATOM 0 HD2 PHE A 23 6.826 -6.763 -13.314 1.00 51.13 H new ATOM 0 HE1 PHE A 23 7.776 -3.182 -10.078 1.00 0.14 H new ATOM 0 HE2 PHE A 23 5.724 -4.580 -13.543 1.00 12.42 H new ATOM 0 HZ PHE A 23 6.193 -2.786 -11.921 1.00 73.31 H new ATOM 436 N GLY A 24 11.181 -9.594 -11.486 1.00 52.22 N ATOM 437 CA GLY A 24 12.179 -10.298 -10.702 1.00 55.11 C ATOM 438 C GLY A 24 13.557 -9.679 -10.827 1.00 14.13 C ATOM 439 O GLY A 24 14.384 -9.802 -9.923 1.00 62.25 O ATOM 0 H GLY A 24 10.658 -10.178 -12.139 1.00 52.22 H new ATOM 0 HA2 GLY A 24 11.879 -10.300 -9.654 1.00 55.11 H new ATOM 0 HA3 GLY A 24 12.221 -11.339 -11.023 1.00 55.11 H new ATOM 443 N TYR A 25 13.805 -9.013 -11.949 1.00 13.21 N ATOM 444 CA TYR A 25 15.094 -8.376 -12.190 1.00 52.25 C ATOM 445 C TYR A 25 15.192 -7.046 -11.450 1.00 15.33 C ATOM 446 O TYR A 25 16.277 -6.618 -11.056 1.00 22.24 O ATOM 447 CB TYR A 25 15.304 -8.154 -13.689 1.00 71.23 C ATOM 448 CG TYR A 25 15.934 -9.334 -14.393 1.00 64.53 C ATOM 449 CD1 TYR A 25 15.487 -10.629 -14.158 1.00 2.25 C ATOM 450 CD2 TYR A 25 16.978 -9.156 -15.293 1.00 54.34 C ATOM 451 CE1 TYR A 25 16.061 -11.710 -14.798 1.00 34.41 C ATOM 452 CE2 TYR A 25 17.556 -10.231 -15.939 1.00 72.13 C ATOM 453 CZ TYR A 25 17.094 -11.506 -15.688 1.00 61.32 C ATOM 454 OH TYR A 25 17.668 -12.580 -16.329 1.00 25.44 O ATOM 0 H TYR A 25 13.131 -8.900 -12.706 1.00 13.21 H new ATOM 0 HA TYR A 25 15.874 -9.039 -11.814 1.00 52.25 H new ATOM 0 HB2 TYR A 25 14.343 -7.935 -14.154 1.00 71.23 H new ATOM 0 HB3 TYR A 25 15.935 -7.277 -13.833 1.00 71.23 H new ATOM 0 HD1 TYR A 25 14.677 -10.793 -13.463 1.00 2.25 H new ATOM 0 HD2 TYR A 25 17.344 -8.159 -15.491 1.00 54.34 H new ATOM 0 HE1 TYR A 25 15.703 -12.710 -14.602 1.00 34.41 H new ATOM 0 HE2 TYR A 25 18.365 -10.074 -16.637 1.00 72.13 H new ATOM 0 HH TYR A 25 18.381 -12.264 -16.923 1.00 25.44 H new ATOM 464 N THR A 26 14.048 -6.394 -11.263 1.00 34.44 N ATOM 465 CA THR A 26 14.002 -5.113 -10.570 1.00 42.11 C ATOM 466 C THR A 26 13.929 -5.306 -9.060 1.00 30.42 C ATOM 467 O THR A 26 14.434 -4.485 -8.293 1.00 72.11 O ATOM 468 CB THR A 26 12.797 -4.270 -11.027 1.00 52.22 C ATOM 469 OG1 THR A 26 11.741 -5.127 -11.476 1.00 21.15 O ATOM 470 CG2 THR A 26 13.195 -3.319 -12.146 1.00 73.11 C ATOM 0 H THR A 26 13.141 -6.733 -11.582 1.00 34.44 H new ATOM 0 HA THR A 26 14.922 -4.585 -10.822 1.00 42.11 H new ATOM 0 HB THR A 26 12.451 -3.682 -10.177 1.00 52.22 H new ATOM 0 HG1 THR A 26 11.660 -5.892 -10.869 1.00 21.15 H new ATOM 0 HG21 THR A 26 12.328 -2.734 -12.452 1.00 73.11 H new ATOM 0 HG22 THR A 26 13.978 -2.648 -11.792 1.00 73.11 H new ATOM 0 HG23 THR A 26 13.565 -3.892 -12.996 1.00 73.11 H new ATOM 478 N LEU A 27 13.298 -6.397 -8.638 1.00 5.23 N ATOM 479 CA LEU A 27 13.160 -6.699 -7.217 1.00 51.03 C ATOM 480 C LEU A 27 14.521 -6.967 -6.582 1.00 54.03 C ATOM 481 O LEU A 27 14.737 -6.671 -5.407 1.00 22.50 O ATOM 482 CB LEU A 27 12.245 -7.909 -7.020 1.00 1.00 C ATOM 483 CG LEU A 27 10.754 -7.670 -7.263 1.00 24.11 C ATOM 484 CD1 LEU A 27 9.995 -8.988 -7.257 1.00 52.44 C ATOM 485 CD2 LEU A 27 10.189 -6.722 -6.216 1.00 13.12 C ATOM 0 H LEU A 27 12.874 -7.086 -9.259 1.00 5.23 H new ATOM 0 HA LEU A 27 12.716 -5.832 -6.728 1.00 51.03 H new ATOM 0 HB2 LEU A 27 12.579 -8.704 -7.687 1.00 1.00 H new ATOM 0 HB3 LEU A 27 12.373 -8.274 -6.001 1.00 1.00 H new ATOM 0 HG LEU A 27 10.634 -7.210 -8.244 1.00 24.11 H new ATOM 0 HD11 LEU A 27 8.936 -8.799 -7.431 1.00 52.44 H new ATOM 0 HD12 LEU A 27 10.382 -9.635 -8.044 1.00 52.44 H new ATOM 0 HD13 LEU A 27 10.122 -9.477 -6.291 1.00 52.44 H new ATOM 0 HD21 LEU A 27 9.127 -6.563 -6.404 1.00 13.12 H new ATOM 0 HD22 LEU A 27 10.321 -7.155 -5.224 1.00 13.12 H new ATOM 0 HD23 LEU A 27 10.713 -5.768 -6.268 1.00 13.12 H new ATOM 497 N ARG A 28 15.435 -7.526 -7.368 1.00 73.42 N ATOM 498 CA ARG A 28 16.775 -7.833 -6.883 1.00 71.11 C ATOM 499 C ARG A 28 17.437 -6.591 -6.293 1.00 31.41 C ATOM 500 O ARG A 28 17.599 -6.481 -5.078 1.00 14.34 O ATOM 501 CB ARG A 28 17.635 -8.393 -8.017 1.00 44.55 C ATOM 502 CG ARG A 28 18.885 -9.112 -7.536 1.00 73.23 C ATOM 503 CD ARG A 28 20.114 -8.677 -8.318 1.00 62.34 C ATOM 504 NE ARG A 28 21.246 -9.575 -8.103 1.00 74.32 N ATOM 505 CZ ARG A 28 22.440 -9.398 -8.656 1.00 44.30 C ATOM 506 NH1 ARG A 28 22.658 -8.360 -9.452 1.00 63.45 N ATOM 507 NH2 ARG A 28 23.420 -10.258 -8.412 1.00 63.40 N ATOM 0 H ARG A 28 15.272 -7.776 -8.343 1.00 73.42 H new ATOM 0 HA ARG A 28 16.687 -8.584 -6.098 1.00 71.11 H new ATOM 0 HB2 ARG A 28 17.035 -9.083 -8.610 1.00 44.55 H new ATOM 0 HB3 ARG A 28 17.927 -7.576 -8.677 1.00 44.55 H new ATOM 0 HG2 ARG A 28 19.037 -8.910 -6.476 1.00 73.23 H new ATOM 0 HG3 ARG A 28 18.749 -10.189 -7.639 1.00 73.23 H new ATOM 0 HD2 ARG A 28 19.874 -8.644 -9.381 1.00 62.34 H new ATOM 0 HD3 ARG A 28 20.392 -7.665 -8.022 1.00 62.34 H new ATOM 0 HE ARG A 28 21.112 -10.383 -7.494 1.00 74.32 H new ATOM 0 HH11 ARG A 28 21.908 -7.695 -9.641 1.00 63.45 H new ATOM 0 HH12 ARG A 28 23.576 -8.226 -9.876 1.00 63.45 H new ATOM 0 HH21 ARG A 28 23.257 -11.057 -7.799 1.00 63.40 H new ATOM 0 HH22 ARG A 28 24.337 -10.121 -8.838 1.00 63.40 H new TER 521 ARG A 28