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 Single : A 1 LYS N :NH3+ -118:sc= -0.21 (180deg=-0.349) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 TYR OH : rot 180:sc= -0.0525 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= -1.53 K(o=-1.5,f=-5.8!) USER MOD Single : A 9 ASN : amide:sc=-0.000665 X(o=-0.00067,f=-0.14) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot -44:sc= 0.0318 USER MOD Single : A 16 HIS : no HD1:sc= -0.0637 K(o=-0.064,f=-0.66) 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 1.329 0.000 0.000 1.00 13.00 N ATOM 2 CA LYS A 1 2.094 -0.002 -1.241 1.00 3.51 C ATOM 3 C LYS A 1 3.083 -1.162 -1.269 1.00 23.44 C ATOM 4 O LYS A 1 4.224 -1.008 -1.705 1.00 61.33 O ATOM 5 CB LYS A 1 2.842 1.324 -1.404 1.00 63.44 C ATOM 6 CG LYS A 1 1.927 2.516 -1.620 1.00 12.20 C ATOM 7 CD LYS A 1 2.701 3.824 -1.605 1.00 21.53 C ATOM 8 CE LYS A 1 2.434 4.644 -2.857 1.00 64.04 C ATOM 9 NZ LYS A 1 3.572 5.550 -3.180 1.00 33.42 N ATOM 0 H1 LYS A 1 0.319 -0.128 -0.214 1.00 13.00 H new ATOM 0 H2 LYS A 1 1.655 -0.777 0.610 1.00 13.00 H new ATOM 0 H3 LYS A 1 1.467 0.906 0.491 1.00 13.00 H new ATOM 0 HA LYS A 1 1.396 -0.123 -2.069 1.00 3.51 H new ATOM 0 HB2 LYS A 1 3.450 1.500 -0.517 1.00 63.44 H new ATOM 0 HB3 LYS A 1 3.526 1.244 -2.249 1.00 63.44 H new ATOM 0 HG2 LYS A 1 1.409 2.410 -2.573 1.00 12.20 H new ATOM 0 HG3 LYS A 1 1.163 2.535 -0.842 1.00 12.20 H new ATOM 0 HD2 LYS A 1 2.423 4.402 -0.724 1.00 21.53 H new ATOM 0 HD3 LYS A 1 3.768 3.616 -1.526 1.00 21.53 H new ATOM 0 HE2 LYS A 1 2.253 3.974 -3.698 1.00 64.04 H new ATOM 0 HE3 LYS A 1 1.528 5.234 -2.718 1.00 64.04 H new ATOM 0 HZ1 LYS A 1 3.351 6.092 -4.040 1.00 33.42 H new ATOM 0 HZ2 LYS A 1 3.729 6.206 -2.388 1.00 33.42 H new ATOM 0 HZ3 LYS A 1 4.431 4.986 -3.337 1.00 33.42 H new ATOM 23 N TYR A 2 2.639 -2.324 -0.801 1.00 55.45 N ATOM 24 CA TYR A 2 3.485 -3.510 -0.772 1.00 61.41 C ATOM 25 C TYR A 2 2.932 -4.597 -1.690 1.00 4.33 C ATOM 26 O TYR A 2 3.671 -5.461 -2.160 1.00 40.04 O ATOM 27 CB TYR A 2 3.601 -4.044 0.657 1.00 63.44 C ATOM 28 CG TYR A 2 4.762 -4.993 0.856 1.00 74.01 C ATOM 29 CD1 TYR A 2 5.894 -4.598 1.557 1.00 23.35 C ATOM 30 CD2 TYR A 2 4.726 -6.283 0.342 1.00 21.41 C ATOM 31 CE1 TYR A 2 6.957 -5.461 1.742 1.00 63.34 C ATOM 32 CE2 TYR A 2 5.784 -7.154 0.523 1.00 53.53 C ATOM 33 CZ TYR A 2 6.897 -6.738 1.223 1.00 40.22 C ATOM 34 OH TYR A 2 7.953 -7.601 1.404 1.00 62.24 O ATOM 0 H TYR A 2 1.697 -2.469 -0.437 1.00 55.45 H new ATOM 0 HA TYR A 2 4.475 -3.228 -1.129 1.00 61.41 H new ATOM 0 HB2 TYR A 2 3.708 -3.203 1.343 1.00 63.44 H new ATOM 0 HB3 TYR A 2 2.675 -4.555 0.921 1.00 63.44 H new ATOM 0 HD1 TYR A 2 5.944 -3.599 1.965 1.00 23.35 H new ATOM 0 HD2 TYR A 2 3.857 -6.611 -0.208 1.00 21.41 H new ATOM 0 HE1 TYR A 2 7.830 -5.138 2.290 1.00 63.34 H new ATOM 0 HE2 TYR A 2 5.739 -8.154 0.119 1.00 53.53 H new ATOM 0 HH TYR A 2 7.750 -8.460 0.978 1.00 62.24 H new ATOM 44 N GLU A 3 1.628 -4.544 -1.939 1.00 73.21 N ATOM 45 CA GLU A 3 0.975 -5.524 -2.800 1.00 43.42 C ATOM 46 C GLU A 3 1.822 -5.811 -4.036 1.00 64.05 C ATOM 47 O GLU A 3 2.532 -6.816 -4.096 1.00 14.02 O ATOM 48 CB GLU A 3 -0.408 -5.024 -3.221 1.00 52.14 C ATOM 49 CG GLU A 3 -1.527 -5.484 -2.302 1.00 74.25 C ATOM 50 CD GLU A 3 -2.066 -6.851 -2.678 1.00 51.14 C ATOM 51 OE1 GLU A 3 -2.145 -7.144 -3.890 1.00 23.11 O ATOM 52 OE2 GLU A 3 -2.409 -7.627 -1.762 1.00 52.32 O ATOM 0 H GLU A 3 1.003 -3.834 -1.558 1.00 73.21 H new ATOM 0 HA GLU A 3 0.862 -6.449 -2.235 1.00 43.42 H new ATOM 0 HB2 GLU A 3 -0.398 -3.934 -3.250 1.00 52.14 H new ATOM 0 HB3 GLU A 3 -0.617 -5.368 -4.234 1.00 52.14 H new ATOM 0 HG2 GLU A 3 -1.161 -5.512 -1.276 1.00 74.25 H new ATOM 0 HG3 GLU A 3 -2.338 -4.757 -2.332 1.00 74.25 H new ATOM 59 N ILE A 4 1.742 -4.922 -5.021 1.00 23.31 N ATOM 60 CA ILE A 4 2.501 -5.080 -6.255 1.00 44.23 C ATOM 61 C ILE A 4 3.177 -3.773 -6.656 1.00 1.33 C ATOM 62 O ILE A 4 4.253 -3.775 -7.256 1.00 15.42 O ATOM 63 CB ILE A 4 1.603 -5.555 -7.412 1.00 73.40 C ATOM 64 CG1 ILE A 4 2.454 -5.936 -8.625 1.00 22.31 C ATOM 65 CG2 ILE A 4 0.598 -4.474 -7.782 1.00 24.14 C ATOM 66 CD1 ILE A 4 1.663 -6.041 -9.910 1.00 11.12 C ATOM 0 H ILE A 4 1.159 -4.085 -4.988 1.00 23.31 H new ATOM 0 HA ILE A 4 3.262 -5.836 -6.062 1.00 44.23 H new ATOM 0 HB ILE A 4 1.054 -6.438 -7.086 1.00 73.40 H new ATOM 0 HG12 ILE A 4 3.242 -5.194 -8.753 1.00 22.31 H new ATOM 0 HG13 ILE A 4 2.943 -6.890 -8.430 1.00 22.31 H new ATOM 0 HG21 ILE A 4 -0.029 -4.825 -8.601 1.00 24.14 H new ATOM 0 HG22 ILE A 4 -0.027 -4.247 -6.918 1.00 24.14 H new ATOM 0 HG23 ILE A 4 1.129 -3.574 -8.092 1.00 24.14 H new ATOM 0 HD11 ILE A 4 2.331 -6.314 -10.727 1.00 11.12 H new ATOM 0 HD12 ILE A 4 0.892 -6.803 -9.801 1.00 11.12 H new ATOM 0 HD13 ILE A 4 1.196 -5.081 -10.129 1.00 11.12 H new ATOM 78 N THR A 5 2.540 -2.656 -6.318 1.00 50.31 N ATOM 79 CA THR A 5 3.079 -1.341 -6.641 1.00 40.14 C ATOM 80 C THR A 5 4.580 -1.284 -6.384 1.00 44.31 C ATOM 81 O THR A 5 5.320 -0.613 -7.105 1.00 70.35 O ATOM 82 CB THR A 5 2.387 -0.234 -5.824 1.00 41.41 C ATOM 83 OG1 THR A 5 2.725 1.052 -6.357 1.00 35.01 O ATOM 84 CG2 THR A 5 2.797 -0.305 -4.361 1.00 35.13 C ATOM 0 H THR A 5 1.650 -2.636 -5.820 1.00 50.31 H new ATOM 0 HA THR A 5 2.888 -1.173 -7.701 1.00 40.14 H new ATOM 0 HB THR A 5 1.309 -0.383 -5.891 1.00 41.41 H new ATOM 0 HG1 THR A 5 2.280 1.750 -5.833 1.00 35.01 H new ATOM 0 HG21 THR A 5 2.296 0.486 -3.804 1.00 35.13 H new ATOM 0 HG22 THR A 5 2.513 -1.274 -3.950 1.00 35.13 H new ATOM 0 HG23 THR A 5 3.877 -0.179 -4.279 1.00 35.13 H new ATOM 92 N THR A 6 5.027 -1.992 -5.351 1.00 53.02 N ATOM 93 CA THR A 6 6.440 -2.021 -4.998 1.00 65.45 C ATOM 94 C THR A 6 6.988 -3.444 -5.039 1.00 14.44 C ATOM 95 O THR A 6 8.192 -3.651 -5.191 1.00 72.21 O ATOM 96 CB THR A 6 6.682 -1.430 -3.597 1.00 2.20 C ATOM 97 OG1 THR A 6 7.980 -0.828 -3.536 1.00 40.25 O ATOM 98 CG2 THR A 6 6.566 -2.506 -2.528 1.00 44.00 C ATOM 0 H THR A 6 4.429 -2.553 -4.744 1.00 53.02 H new ATOM 0 HA THR A 6 6.962 -1.412 -5.736 1.00 65.45 H new ATOM 0 HB THR A 6 5.921 -0.672 -3.411 1.00 2.20 H new ATOM 0 HG1 THR A 6 8.125 -0.453 -2.642 1.00 40.25 H new ATOM 0 HG21 THR A 6 6.741 -2.065 -1.547 1.00 44.00 H new ATOM 0 HG22 THR A 6 5.567 -2.942 -2.557 1.00 44.00 H new ATOM 0 HG23 THR A 6 7.307 -3.284 -2.713 1.00 44.00 H new ATOM 106 N ILE A 7 6.096 -4.420 -4.902 1.00 4.54 N ATOM 107 CA ILE A 7 6.491 -5.822 -4.924 1.00 70.52 C ATOM 108 C ILE A 7 7.335 -6.136 -6.155 1.00 73.50 C ATOM 109 O ILE A 7 8.307 -6.888 -6.079 1.00 61.33 O ATOM 110 CB ILE A 7 5.264 -6.753 -4.906 1.00 12.11 C ATOM 111 CG1 ILE A 7 5.474 -7.891 -3.905 1.00 1.31 C ATOM 112 CG2 ILE A 7 4.998 -7.307 -6.298 1.00 4.12 C ATOM 113 CD1 ILE A 7 5.732 -7.413 -2.493 1.00 30.41 C ATOM 0 H ILE A 7 5.096 -4.265 -4.775 1.00 4.54 H new ATOM 0 HA ILE A 7 7.083 -5.997 -4.026 1.00 70.52 H new ATOM 0 HB ILE A 7 4.394 -6.176 -4.594 1.00 12.11 H new ATOM 0 HG12 ILE A 7 4.593 -8.533 -3.907 1.00 1.31 H new ATOM 0 HG13 ILE A 7 6.315 -8.502 -4.233 1.00 1.31 H new ATOM 0 HG21 ILE A 7 4.128 -7.963 -6.268 1.00 4.12 H new ATOM 0 HG22 ILE A 7 4.809 -6.484 -6.987 1.00 4.12 H new ATOM 0 HG23 ILE A 7 5.867 -7.872 -6.637 1.00 4.12 H new ATOM 0 HD11 ILE A 7 5.872 -8.273 -1.838 1.00 30.41 H new ATOM 0 HD12 ILE A 7 6.629 -6.795 -2.476 1.00 30.41 H new ATOM 0 HD13 ILE A 7 4.881 -6.827 -2.146 1.00 30.41 H new ATOM 125 N HIS A 8 6.957 -5.554 -7.289 1.00 21.22 N ATOM 126 CA HIS A 8 7.681 -5.770 -8.537 1.00 13.22 C ATOM 127 C HIS A 8 9.176 -5.532 -8.346 1.00 54.11 C ATOM 128 O HIS A 8 9.999 -6.075 -9.082 1.00 12.15 O ATOM 129 CB HIS A 8 7.141 -4.847 -9.630 1.00 11.12 C ATOM 130 CG HIS A 8 7.469 -3.402 -9.410 1.00 62.30 C ATOM 131 ND1 HIS A 8 7.595 -2.841 -8.157 1.00 22.43 N ATOM 132 CD2 HIS A 8 7.700 -2.402 -10.293 1.00 35.51 C ATOM 133 CE1 HIS A 8 7.887 -1.559 -8.278 1.00 40.31 C ATOM 134 NE2 HIS A 8 7.957 -1.267 -9.564 1.00 74.15 N ATOM 0 H HIS A 8 6.154 -4.930 -7.369 1.00 21.22 H new ATOM 0 HA HIS A 8 7.532 -6.806 -8.840 1.00 13.22 H new ATOM 0 HB2 HIS A 8 7.546 -5.161 -10.592 1.00 11.12 H new ATOM 0 HB3 HIS A 8 6.058 -4.961 -9.688 1.00 11.12 H new ATOM 0 HD2 HIS A 8 7.685 -2.482 -11.370 1.00 35.51 H new ATOM 0 HE1 HIS A 8 8.042 -0.867 -7.464 1.00 40.31 H new ATOM 0 HE2 HIS A 8 8.168 -0.348 -9.953 1.00 74.15 H new ATOM 142 N ASN A 9 9.518 -4.716 -7.354 1.00 63.15 N ATOM 143 CA ASN A 9 10.914 -4.405 -7.068 1.00 62.32 C ATOM 144 C ASN A 9 11.547 -5.492 -6.205 1.00 4.14 C ATOM 145 O ASN A 9 12.728 -5.810 -6.354 1.00 40.11 O ATOM 146 CB ASN A 9 11.023 -3.051 -6.365 1.00 11.04 C ATOM 147 CG ASN A 9 12.393 -2.422 -6.530 1.00 54.44 C ATOM 148 OD1 ASN A 9 12.887 -2.270 -7.648 1.00 22.14 O ATOM 149 ND2 ASN A 9 13.012 -2.052 -5.416 1.00 5.32 N ATOM 0 H ASN A 9 8.848 -4.259 -6.735 1.00 63.15 H new ATOM 0 HA ASN A 9 11.452 -4.359 -8.015 1.00 62.32 H new ATOM 0 HB2 ASN A 9 10.266 -2.376 -6.764 1.00 11.04 H new ATOM 0 HB3 ASN A 9 10.810 -3.178 -5.304 1.00 11.04 H new ATOM 0 HD21 ASN A 9 13.936 -1.622 -5.465 1.00 5.32 H new ATOM 0 HD22 ASN A 9 12.564 -2.198 -4.511 1.00 5.32 H new ATOM 156 N LEU A 10 10.755 -6.059 -5.301 1.00 40.45 N ATOM 157 CA LEU A 10 11.237 -7.111 -4.413 1.00 41.15 C ATOM 158 C LEU A 10 11.172 -8.473 -5.097 1.00 42.34 C ATOM 159 O LEU A 10 11.904 -9.395 -4.738 1.00 63.11 O ATOM 160 CB LEU A 10 10.413 -7.135 -3.125 1.00 3.12 C ATOM 161 CG LEU A 10 10.107 -8.518 -2.550 1.00 30.24 C ATOM 162 CD1 LEU A 10 9.946 -8.445 -1.039 1.00 51.42 C ATOM 163 CD2 LEU A 10 8.856 -9.099 -3.194 1.00 3.54 C ATOM 0 H LEU A 10 9.776 -5.808 -5.164 1.00 40.45 H new ATOM 0 HA LEU A 10 12.277 -6.897 -4.168 1.00 41.15 H new ATOM 0 HB2 LEU A 10 10.943 -6.558 -2.367 1.00 3.12 H new ATOM 0 HB3 LEU A 10 9.468 -6.624 -3.312 1.00 3.12 H new ATOM 0 HG LEU A 10 10.946 -9.177 -2.774 1.00 30.24 H new ATOM 0 HD11 LEU A 10 9.729 -9.439 -0.648 1.00 51.42 H new ATOM 0 HD12 LEU A 10 10.868 -8.073 -0.592 1.00 51.42 H new ATOM 0 HD13 LEU A 10 9.126 -7.771 -0.793 1.00 51.42 H new ATOM 0 HD21 LEU A 10 8.654 -10.084 -2.773 1.00 3.54 H new ATOM 0 HD22 LEU A 10 8.009 -8.441 -3.002 1.00 3.54 H new ATOM 0 HD23 LEU A 10 9.009 -9.189 -4.269 1.00 3.54 H new ATOM 175 N PHE A 11 10.293 -8.591 -6.086 1.00 75.14 N ATOM 176 CA PHE A 11 10.133 -9.840 -6.822 1.00 52.12 C ATOM 177 C PHE A 11 11.490 -10.453 -7.155 1.00 1.42 C ATOM 178 O PHE A 11 12.322 -9.826 -7.811 1.00 72.05 O ATOM 179 CB PHE A 11 9.340 -9.601 -8.109 1.00 14.24 C ATOM 180 CG PHE A 11 7.859 -9.790 -7.944 1.00 13.14 C ATOM 181 CD1 PHE A 11 7.357 -10.561 -6.908 1.00 75.51 C ATOM 182 CD2 PHE A 11 6.969 -9.196 -8.824 1.00 72.44 C ATOM 183 CE1 PHE A 11 5.994 -10.737 -6.753 1.00 63.22 C ATOM 184 CE2 PHE A 11 5.606 -9.368 -8.674 1.00 73.32 C ATOM 185 CZ PHE A 11 5.118 -10.141 -7.638 1.00 51.42 C ATOM 0 H PHE A 11 9.680 -7.837 -6.397 1.00 75.14 H new ATOM 0 HA PHE A 11 9.584 -10.537 -6.189 1.00 52.12 H new ATOM 0 HB2 PHE A 11 9.532 -8.588 -8.462 1.00 14.24 H new ATOM 0 HB3 PHE A 11 9.701 -10.281 -8.881 1.00 14.24 H new ATOM 0 HD1 PHE A 11 8.038 -11.030 -6.213 1.00 75.51 H new ATOM 0 HD2 PHE A 11 7.345 -8.592 -9.636 1.00 72.44 H new ATOM 0 HE1 PHE A 11 5.615 -11.340 -5.941 1.00 63.22 H new ATOM 0 HE2 PHE A 11 4.923 -8.898 -9.366 1.00 73.32 H new ATOM 0 HZ PHE A 11 4.053 -10.279 -7.521 1.00 51.42 H new ATOM 195 N ARG A 12 11.707 -11.681 -6.696 1.00 35.01 N ATOM 196 CA ARG A 12 12.963 -12.378 -6.943 1.00 32.45 C ATOM 197 C ARG A 12 13.343 -12.308 -8.419 1.00 32.43 C ATOM 198 O ARG A 12 14.415 -11.817 -8.773 1.00 31.24 O ATOM 199 CB ARG A 12 12.855 -13.839 -6.501 1.00 71.24 C ATOM 200 CG ARG A 12 13.477 -14.819 -7.482 1.00 65.24 C ATOM 201 CD ARG A 12 13.650 -16.196 -6.860 1.00 64.13 C ATOM 202 NE ARG A 12 14.993 -16.729 -7.076 1.00 32.41 N ATOM 203 CZ ARG A 12 15.543 -17.666 -6.311 1.00 71.14 C ATOM 204 NH1 ARG A 12 14.869 -18.171 -5.287 1.00 41.40 N ATOM 205 NH2 ARG A 12 16.769 -18.101 -6.571 1.00 44.54 N ATOM 0 H ARG A 12 11.029 -12.214 -6.151 1.00 35.01 H new ATOM 0 HA ARG A 12 13.743 -11.886 -6.362 1.00 32.45 H new ATOM 0 HB2 ARG A 12 13.338 -13.953 -5.531 1.00 71.24 H new ATOM 0 HB3 ARG A 12 11.804 -14.092 -6.365 1.00 71.24 H new ATOM 0 HG2 ARG A 12 12.848 -14.896 -8.369 1.00 65.24 H new ATOM 0 HG3 ARG A 12 14.446 -14.442 -7.809 1.00 65.24 H new ATOM 0 HD2 ARG A 12 13.451 -16.138 -5.790 1.00 64.13 H new ATOM 0 HD3 ARG A 12 12.916 -16.881 -7.285 1.00 64.13 H new ATOM 0 HE ARG A 12 15.538 -16.362 -7.856 1.00 32.41 H new ATOM 0 HH11 ARG A 12 13.926 -17.840 -5.085 1.00 41.40 H new ATOM 0 HH12 ARG A 12 15.294 -18.890 -4.702 1.00 41.40 H new ATOM 0 HH21 ARG A 12 17.290 -17.716 -7.359 1.00 44.54 H new ATOM 0 HH22 ARG A 12 17.190 -18.820 -5.983 1.00 44.54 H new ATOM 219 N LYS A 13 12.457 -12.804 -9.276 1.00 40.54 N ATOM 220 CA LYS A 13 12.698 -12.797 -10.714 1.00 74.35 C ATOM 221 C LYS A 13 11.882 -11.704 -11.398 1.00 4.13 C ATOM 222 O LYS A 13 12.354 -10.579 -11.570 1.00 24.30 O ATOM 223 CB LYS A 13 12.348 -14.160 -11.317 1.00 25.13 C ATOM 224 CG LYS A 13 12.355 -14.174 -12.836 1.00 11.35 C ATOM 225 CD LYS A 13 13.506 -13.355 -13.396 1.00 22.24 C ATOM 226 CE LYS A 13 13.900 -13.827 -14.787 1.00 2.31 C ATOM 227 NZ LYS A 13 14.799 -12.854 -15.468 1.00 60.43 N ATOM 0 H LYS A 13 11.566 -13.216 -9.000 1.00 40.54 H new ATOM 0 HA LYS A 13 13.756 -12.593 -10.878 1.00 74.35 H new ATOM 0 HB2 LYS A 13 13.058 -14.902 -10.952 1.00 25.13 H new ATOM 0 HB3 LYS A 13 11.362 -14.462 -10.964 1.00 25.13 H new ATOM 0 HG2 LYS A 13 12.432 -15.202 -13.191 1.00 11.35 H new ATOM 0 HG3 LYS A 13 11.410 -13.778 -13.209 1.00 11.35 H new ATOM 0 HD2 LYS A 13 13.221 -12.304 -13.434 1.00 22.24 H new ATOM 0 HD3 LYS A 13 14.365 -13.428 -12.729 1.00 22.24 H new ATOM 0 HE2 LYS A 13 14.399 -14.794 -14.715 1.00 2.31 H new ATOM 0 HE3 LYS A 13 13.003 -13.975 -15.388 1.00 2.31 H new ATOM 0 HZ1 LYS A 13 15.045 -13.211 -16.413 1.00 60.43 H new ATOM 0 HZ2 LYS A 13 14.314 -11.939 -15.560 1.00 60.43 H new ATOM 0 HZ3 LYS A 13 15.666 -12.732 -14.907 1.00 60.43 H new ATOM 241 N LEU A 14 10.657 -12.040 -11.784 1.00 34.22 N ATOM 242 CA LEU A 14 9.775 -11.086 -12.447 1.00 74.10 C ATOM 243 C LEU A 14 8.474 -10.915 -11.669 1.00 32.10 C ATOM 244 O LEU A 14 8.373 -10.063 -10.785 1.00 71.15 O ATOM 245 CB LEU A 14 9.472 -11.548 -13.874 1.00 11.14 C ATOM 246 CG LEU A 14 8.332 -10.820 -14.587 1.00 43.22 C ATOM 247 CD1 LEU A 14 8.878 -9.921 -15.686 1.00 23.11 C ATOM 248 CD2 LEU A 14 7.336 -11.818 -15.158 1.00 62.43 C ATOM 0 H LEU A 14 10.251 -12.966 -11.649 1.00 34.22 H new ATOM 0 HA LEU A 14 10.284 -10.123 -12.484 1.00 74.10 H new ATOM 0 HB2 LEU A 14 10.377 -11.436 -14.471 1.00 11.14 H new ATOM 0 HB3 LEU A 14 9.237 -12.612 -13.848 1.00 11.14 H new ATOM 0 HG LEU A 14 7.814 -10.196 -13.859 1.00 43.22 H new ATOM 0 HD11 LEU A 14 8.053 -9.411 -16.183 1.00 23.11 H new ATOM 0 HD12 LEU A 14 9.552 -9.183 -15.251 1.00 23.11 H new ATOM 0 HD13 LEU A 14 9.422 -10.524 -16.413 1.00 23.11 H new ATOM 0 HD21 LEU A 14 6.532 -11.282 -15.662 1.00 62.43 H new ATOM 0 HD22 LEU A 14 7.841 -12.468 -15.872 1.00 62.43 H new ATOM 0 HD23 LEU A 14 6.920 -12.420 -14.350 1.00 62.43 H new ATOM 260 N THR A 15 7.479 -11.733 -12.001 1.00 44.54 N ATOM 261 CA THR A 15 6.185 -11.673 -11.334 1.00 3.22 C ATOM 262 C THR A 15 5.734 -13.058 -10.885 1.00 54.04 C ATOM 263 O THR A 15 5.516 -13.297 -9.697 1.00 4.20 O ATOM 264 CB THR A 15 5.107 -11.066 -12.251 1.00 42.23 C ATOM 265 OG1 THR A 15 5.203 -9.637 -12.241 1.00 62.12 O ATOM 266 CG2 THR A 15 3.716 -11.489 -11.805 1.00 11.21 C ATOM 0 H THR A 15 7.546 -12.445 -12.728 1.00 44.54 H new ATOM 0 HA THR A 15 6.309 -11.033 -10.460 1.00 3.22 H new ATOM 0 HB THR A 15 5.274 -11.434 -13.263 1.00 42.23 H new ATOM 0 HG1 THR A 15 5.322 -9.324 -11.320 1.00 62.12 H new ATOM 0 HG21 THR A 15 2.972 -11.048 -12.468 1.00 11.21 H new ATOM 0 HG22 THR A 15 3.637 -12.575 -11.842 1.00 11.21 H new ATOM 0 HG23 THR A 15 3.541 -11.147 -10.785 1.00 11.21 H new ATOM 274 N HIS A 16 5.594 -13.969 -11.843 1.00 42.14 N ATOM 275 CA HIS A 16 5.169 -15.332 -11.546 1.00 62.21 C ATOM 276 C HIS A 16 6.142 -16.346 -12.140 1.00 71.34 C ATOM 277 O HIS A 16 5.862 -17.545 -12.172 1.00 11.24 O ATOM 278 CB HIS A 16 3.761 -15.580 -12.089 1.00 3.23 C ATOM 279 CG HIS A 16 3.513 -14.944 -13.422 1.00 70.20 C ATOM 280 ND1 HIS A 16 4.377 -15.071 -14.489 1.00 4.22 N ATOM 281 CD2 HIS A 16 2.489 -14.175 -13.859 1.00 13.21 C ATOM 282 CE1 HIS A 16 3.897 -14.405 -15.524 1.00 35.33 C ATOM 283 NE2 HIS A 16 2.751 -13.853 -15.168 1.00 12.21 N ATOM 0 H HIS A 16 5.769 -13.788 -12.831 1.00 42.14 H new ATOM 0 HA HIS A 16 5.159 -15.455 -10.463 1.00 62.21 H new ATOM 0 HB2 HIS A 16 3.596 -16.654 -12.172 1.00 3.23 H new ATOM 0 HB3 HIS A 16 3.032 -15.200 -11.373 1.00 3.23 H new ATOM 0 HD2 HIS A 16 1.626 -13.871 -13.285 1.00 13.21 H new ATOM 0 HE1 HIS A 16 4.362 -14.325 -16.495 1.00 35.33 H new ATOM 0 HE2 HIS A 16 2.157 -13.281 -15.768 1.00 12.21 H new ATOM 291 N ARG A 17 7.284 -15.857 -12.611 1.00 64.53 N ATOM 292 CA ARG A 17 8.297 -16.721 -13.206 1.00 43.04 C ATOM 293 C ARG A 17 8.496 -17.982 -12.370 1.00 42.23 C ATOM 294 O ARG A 17 7.967 -19.045 -12.696 1.00 31.44 O ATOM 295 CB ARG A 17 9.623 -15.970 -13.340 1.00 65.20 C ATOM 296 CG ARG A 17 10.023 -15.691 -14.780 1.00 31.13 C ATOM 297 CD ARG A 17 8.904 -15.002 -15.545 1.00 32.03 C ATOM 298 NE ARG A 17 8.214 -15.918 -16.448 1.00 74.44 N ATOM 299 CZ ARG A 17 8.702 -16.298 -17.624 1.00 71.10 C ATOM 300 NH1 ARG A 17 9.877 -15.843 -18.036 1.00 1.13 N ATOM 301 NH2 ARG A 17 8.014 -17.135 -18.390 1.00 63.23 N ATOM 0 H ARG A 17 7.531 -14.868 -12.592 1.00 64.53 H new ATOM 0 HA ARG A 17 7.952 -17.014 -14.197 1.00 43.04 H new ATOM 0 HB2 ARG A 17 9.551 -15.025 -12.802 1.00 65.20 H new ATOM 0 HB3 ARG A 17 10.410 -16.551 -12.859 1.00 65.20 H new ATOM 0 HG2 ARG A 17 10.915 -15.065 -14.796 1.00 31.13 H new ATOM 0 HG3 ARG A 17 10.281 -16.627 -15.275 1.00 31.13 H new ATOM 0 HD2 ARG A 17 8.188 -14.581 -14.839 1.00 32.03 H new ATOM 0 HD3 ARG A 17 9.315 -14.170 -16.117 1.00 32.03 H new ATOM 0 HE ARG A 17 7.307 -16.287 -16.160 1.00 74.44 H new ATOM 0 HH11 ARG A 17 10.409 -15.200 -17.450 1.00 1.13 H new ATOM 0 HH12 ARG A 17 10.249 -16.136 -18.939 1.00 1.13 H new ATOM 0 HH21 ARG A 17 7.110 -17.487 -18.076 1.00 63.23 H new ATOM 0 HH22 ARG A 17 8.389 -17.426 -19.293 1.00 63.23 H new ATOM 315 N LEU A 18 9.262 -17.856 -11.293 1.00 5.35 N ATOM 316 CA LEU A 18 9.532 -18.985 -10.409 1.00 42.02 C ATOM 317 C LEU A 18 9.165 -18.648 -8.967 1.00 63.35 C ATOM 318 O LEU A 18 9.965 -18.841 -8.051 1.00 51.42 O ATOM 319 CB LEU A 18 11.007 -19.382 -10.493 1.00 21.23 C ATOM 320 CG LEU A 18 12.013 -18.330 -10.024 1.00 60.31 C ATOM 321 CD1 LEU A 18 13.281 -18.995 -9.512 1.00 21.32 C ATOM 322 CD2 LEU A 18 12.335 -17.361 -11.152 1.00 3.21 C ATOM 0 H LEU A 18 9.708 -16.983 -11.010 1.00 5.35 H new ATOM 0 HA LEU A 18 8.917 -19.824 -10.734 1.00 42.02 H new ATOM 0 HB2 LEU A 18 11.154 -20.285 -9.901 1.00 21.23 H new ATOM 0 HB3 LEU A 18 11.235 -19.638 -11.528 1.00 21.23 H new ATOM 0 HG LEU A 18 11.566 -17.767 -9.204 1.00 60.31 H new ATOM 0 HD11 LEU A 18 13.985 -18.231 -9.183 1.00 21.32 H new ATOM 0 HD12 LEU A 18 13.036 -19.648 -8.674 1.00 21.32 H new ATOM 0 HD13 LEU A 18 13.732 -19.583 -10.311 1.00 21.32 H new ATOM 0 HD21 LEU A 18 13.052 -16.619 -10.801 1.00 3.21 H new ATOM 0 HD22 LEU A 18 12.762 -17.909 -11.992 1.00 3.21 H new ATOM 0 HD23 LEU A 18 11.422 -16.859 -11.473 1.00 3.21 H new ATOM 334 N PHE A 19 7.950 -18.147 -8.773 1.00 41.33 N ATOM 335 CA PHE A 19 7.476 -17.784 -7.443 1.00 22.43 C ATOM 336 C PHE A 19 6.639 -18.908 -6.839 1.00 30.21 C ATOM 337 O PHE A 19 5.899 -18.698 -5.877 1.00 44.24 O ATOM 338 CB PHE A 19 6.653 -16.496 -7.505 1.00 33.44 C ATOM 339 CG PHE A 19 7.386 -15.346 -8.132 1.00 51.35 C ATOM 340 CD1 PHE A 19 7.564 -15.287 -9.505 1.00 43.12 C ATOM 341 CD2 PHE A 19 7.897 -14.323 -7.350 1.00 22.03 C ATOM 342 CE1 PHE A 19 8.238 -14.229 -10.086 1.00 62.23 C ATOM 343 CE2 PHE A 19 8.572 -13.263 -7.925 1.00 54.32 C ATOM 344 CZ PHE A 19 8.743 -13.216 -9.295 1.00 24.31 C ATOM 0 H PHE A 19 7.275 -17.983 -9.520 1.00 41.33 H new ATOM 0 HA PHE A 19 8.346 -17.620 -6.807 1.00 22.43 H new ATOM 0 HB2 PHE A 19 5.739 -16.685 -8.069 1.00 33.44 H new ATOM 0 HB3 PHE A 19 6.352 -16.217 -6.495 1.00 33.44 H new ATOM 0 HD1 PHE A 19 7.172 -16.077 -10.128 1.00 43.12 H new ATOM 0 HD2 PHE A 19 7.766 -14.354 -6.278 1.00 22.03 H new ATOM 0 HE1 PHE A 19 8.369 -14.195 -11.157 1.00 62.23 H new ATOM 0 HE2 PHE A 19 8.965 -12.472 -7.304 1.00 54.32 H new ATOM 0 HZ PHE A 19 9.271 -12.389 -9.746 1.00 24.31 H new ATOM 354 N ARG A 20 6.761 -20.102 -7.411 1.00 11.42 N ATOM 355 CA ARG A 20 6.015 -21.259 -6.931 1.00 13.40 C ATOM 356 C ARG A 20 6.949 -22.435 -6.664 1.00 74.54 C ATOM 357 O ARG A 20 6.507 -23.514 -6.267 1.00 13.43 O ATOM 358 CB ARG A 20 4.947 -21.662 -7.950 1.00 11.44 C ATOM 359 CG ARG A 20 5.494 -21.881 -9.351 1.00 14.32 C ATOM 360 CD ARG A 20 5.115 -23.252 -9.888 1.00 50.25 C ATOM 361 NE ARG A 20 3.906 -23.204 -10.706 1.00 34.43 N ATOM 362 CZ ARG A 20 3.861 -22.674 -11.923 1.00 24.22 C ATOM 363 NH1 ARG A 20 4.954 -22.149 -12.461 1.00 34.40 N ATOM 364 NH2 ARG A 20 2.723 -22.669 -12.605 1.00 10.45 N ATOM 0 H ARG A 20 7.369 -20.293 -8.207 1.00 11.42 H new ATOM 0 HA ARG A 20 5.529 -20.984 -5.995 1.00 13.40 H new ATOM 0 HB2 ARG A 20 4.461 -22.577 -7.612 1.00 11.44 H new ATOM 0 HB3 ARG A 20 4.180 -20.888 -7.985 1.00 11.44 H new ATOM 0 HG2 ARG A 20 5.110 -21.109 -10.018 1.00 14.32 H new ATOM 0 HG3 ARG A 20 6.579 -21.781 -9.339 1.00 14.32 H new ATOM 0 HD2 ARG A 20 5.939 -23.649 -10.481 1.00 50.25 H new ATOM 0 HD3 ARG A 20 4.962 -23.938 -9.055 1.00 50.25 H new ATOM 0 HE ARG A 20 3.048 -23.600 -10.321 1.00 34.43 H new ATOM 0 HH11 ARG A 20 5.831 -22.152 -11.940 1.00 34.40 H new ATOM 0 HH12 ARG A 20 4.918 -21.742 -13.396 1.00 34.40 H new ATOM 0 HH21 ARG A 20 1.881 -23.073 -12.195 1.00 10.45 H new ATOM 0 HH22 ARG A 20 2.690 -22.262 -13.540 1.00 10.45 H new ATOM 378 N ARG A 21 8.241 -22.221 -6.887 1.00 2.33 N ATOM 379 CA ARG A 21 9.237 -23.264 -6.672 1.00 51.23 C ATOM 380 C ARG A 21 9.484 -23.481 -5.182 1.00 63.23 C ATOM 381 O ARG A 21 9.320 -24.588 -4.671 1.00 14.21 O ATOM 382 CB ARG A 21 10.548 -22.898 -7.370 1.00 3.32 C ATOM 383 CG ARG A 21 10.645 -23.415 -8.796 1.00 31.54 C ATOM 384 CD ARG A 21 11.939 -22.974 -9.462 1.00 74.30 C ATOM 385 NE ARG A 21 12.632 -24.089 -10.103 1.00 13.40 N ATOM 386 CZ ARG A 21 13.299 -25.022 -9.433 1.00 45.45 C ATOM 387 NH1 ARG A 21 13.364 -24.975 -8.110 1.00 55.40 N ATOM 388 NH2 ARG A 21 13.904 -26.005 -10.088 1.00 4.40 N ATOM 0 H ARG A 21 8.623 -21.335 -7.217 1.00 2.33 H new ATOM 0 HA ARG A 21 8.854 -24.191 -7.098 1.00 51.23 H new ATOM 0 HB2 ARG A 21 10.655 -21.813 -7.378 1.00 3.32 H new ATOM 0 HB3 ARG A 21 11.381 -23.296 -6.791 1.00 3.32 H new ATOM 0 HG2 ARG A 21 10.588 -24.504 -8.794 1.00 31.54 H new ATOM 0 HG3 ARG A 21 9.795 -23.052 -9.374 1.00 31.54 H new ATOM 0 HD2 ARG A 21 11.721 -22.207 -10.205 1.00 74.30 H new ATOM 0 HD3 ARG A 21 12.593 -22.520 -8.718 1.00 74.30 H new ATOM 0 HE ARG A 21 12.602 -24.155 -11.120 1.00 13.40 H new ATOM 0 HH11 ARG A 21 12.901 -24.221 -7.603 1.00 55.40 H new ATOM 0 HH12 ARG A 21 13.877 -25.693 -7.599 1.00 55.40 H new ATOM 0 HH21 ARG A 21 13.857 -26.044 -11.106 1.00 4.40 H new ATOM 0 HH22 ARG A 21 14.416 -26.721 -9.573 1.00 4.40 H new ATOM 402 N ASN A 22 9.881 -22.417 -4.492 1.00 43.12 N ATOM 403 CA ASN A 22 10.153 -22.492 -3.061 1.00 54.42 C ATOM 404 C ASN A 22 9.276 -21.510 -2.289 1.00 45.44 C ATOM 405 O ASN A 22 8.582 -21.889 -1.347 1.00 35.33 O ATOM 406 CB ASN A 22 11.629 -22.201 -2.785 1.00 42.11 C ATOM 407 CG ASN A 22 12.389 -23.437 -2.344 1.00 1.11 C ATOM 408 OD1 ASN A 22 12.532 -24.395 -3.103 1.00 72.41 O ATOM 409 ND2 ASN A 22 12.881 -23.420 -1.110 1.00 51.15 N ATOM 0 H ASN A 22 10.022 -21.493 -4.900 1.00 43.12 H new ATOM 0 HA ASN A 22 9.920 -23.502 -2.724 1.00 54.42 H new ATOM 0 HB2 ASN A 22 12.091 -21.795 -3.685 1.00 42.11 H new ATOM 0 HB3 ASN A 22 11.707 -21.435 -2.014 1.00 42.11 H new ATOM 0 HD21 ASN A 22 13.402 -24.223 -0.757 1.00 51.15 H new ATOM 0 HD22 ASN A 22 12.738 -22.604 -0.515 1.00 51.15 H new ATOM 416 N PHE A 23 9.314 -20.245 -2.697 1.00 24.25 N ATOM 417 CA PHE A 23 8.524 -19.208 -2.044 1.00 4.24 C ATOM 418 C PHE A 23 7.261 -18.902 -2.843 1.00 44.32 C ATOM 419 O PHE A 23 7.290 -18.123 -3.795 1.00 14.41 O ATOM 420 CB PHE A 23 9.356 -17.934 -1.875 1.00 33.44 C ATOM 421 CG PHE A 23 9.843 -17.360 -3.174 1.00 13.40 C ATOM 422 CD1 PHE A 23 9.291 -16.194 -3.681 1.00 60.33 C ATOM 423 CD2 PHE A 23 10.852 -17.985 -3.888 1.00 72.05 C ATOM 424 CE1 PHE A 23 9.737 -15.662 -4.877 1.00 20.44 C ATOM 425 CE2 PHE A 23 11.302 -17.458 -5.084 1.00 1.31 C ATOM 426 CZ PHE A 23 10.743 -16.296 -5.579 1.00 43.32 C ATOM 0 H PHE A 23 9.883 -19.914 -3.476 1.00 24.25 H new ATOM 0 HA PHE A 23 8.230 -19.575 -1.061 1.00 4.24 H new ATOM 0 HB2 PHE A 23 8.757 -17.184 -1.358 1.00 33.44 H new ATOM 0 HB3 PHE A 23 10.214 -18.152 -1.239 1.00 33.44 H new ATOM 0 HD1 PHE A 23 8.503 -15.695 -3.136 1.00 60.33 H new ATOM 0 HD2 PHE A 23 11.292 -18.894 -3.506 1.00 72.05 H new ATOM 0 HE1 PHE A 23 9.299 -14.752 -5.261 1.00 20.44 H new ATOM 0 HE2 PHE A 23 12.090 -17.954 -5.631 1.00 1.31 H new ATOM 0 HZ PHE A 23 11.092 -15.884 -6.514 1.00 43.32 H new ATOM 436 N GLY A 24 6.153 -19.522 -2.449 1.00 64.20 N ATOM 437 CA GLY A 24 4.896 -19.304 -3.139 1.00 74.43 C ATOM 438 C GLY A 24 4.589 -17.833 -3.335 1.00 40.04 C ATOM 439 O GLY A 24 4.995 -17.234 -4.332 1.00 30.51 O ATOM 0 H GLY A 24 6.104 -20.171 -1.664 1.00 64.20 H new ATOM 0 HA2 GLY A 24 4.928 -19.798 -4.110 1.00 74.43 H new ATOM 0 HA3 GLY A 24 4.089 -19.768 -2.572 1.00 74.43 H new ATOM 443 N TYR A 25 3.869 -17.248 -2.384 1.00 65.50 N ATOM 444 CA TYR A 25 3.505 -15.839 -2.459 1.00 10.33 C ATOM 445 C TYR A 25 3.772 -15.136 -1.131 1.00 44.23 C ATOM 446 O TYR A 25 2.969 -15.212 -0.201 1.00 0.10 O ATOM 447 CB TYR A 25 2.031 -15.691 -2.839 1.00 13.12 C ATOM 448 CG TYR A 25 1.792 -14.716 -3.970 1.00 32.31 C ATOM 449 CD1 TYR A 25 2.170 -15.025 -5.271 1.00 31.53 C ATOM 450 CD2 TYR A 25 1.189 -13.486 -3.738 1.00 21.32 C ATOM 451 CE1 TYR A 25 1.954 -14.138 -6.307 1.00 63.03 C ATOM 452 CE2 TYR A 25 0.968 -12.593 -4.768 1.00 62.34 C ATOM 453 CZ TYR A 25 1.353 -12.924 -6.051 1.00 53.42 C ATOM 454 OH TYR A 25 1.136 -12.036 -7.080 1.00 72.13 O ATOM 0 H TYR A 25 3.526 -17.728 -1.552 1.00 65.50 H new ATOM 0 HA TYR A 25 4.120 -15.371 -3.228 1.00 10.33 H new ATOM 0 HB2 TYR A 25 1.638 -16.667 -3.123 1.00 13.12 H new ATOM 0 HB3 TYR A 25 1.470 -15.364 -1.964 1.00 13.12 H new ATOM 0 HD1 TYR A 25 2.641 -15.975 -5.475 1.00 31.53 H new ATOM 0 HD2 TYR A 25 0.888 -13.224 -2.735 1.00 21.32 H new ATOM 0 HE1 TYR A 25 2.254 -14.394 -7.312 1.00 63.03 H new ATOM 0 HE2 TYR A 25 0.497 -11.642 -4.571 1.00 62.34 H new ATOM 0 HH TYR A 25 0.703 -11.230 -6.730 1.00 72.13 H new ATOM 464 N THR A 26 4.908 -14.450 -1.051 1.00 4.33 N ATOM 465 CA THR A 26 5.284 -13.733 0.161 1.00 21.04 C ATOM 466 C THR A 26 4.620 -12.362 0.217 1.00 3.14 C ATOM 467 O THR A 26 4.659 -11.683 1.245 1.00 64.34 O ATOM 468 CB THR A 26 6.811 -13.556 0.259 1.00 41.12 C ATOM 469 OG1 THR A 26 7.219 -13.571 1.631 1.00 4.33 O ATOM 470 CG2 THR A 26 7.247 -12.252 -0.391 1.00 42.52 C ATOM 0 H THR A 26 5.584 -14.376 -1.812 1.00 4.33 H new ATOM 0 HA THR A 26 4.941 -14.334 1.003 1.00 21.04 H new ATOM 0 HB THR A 26 7.285 -14.383 -0.269 1.00 41.12 H new ATOM 0 HG1 THR A 26 8.191 -13.459 1.684 1.00 4.33 H new ATOM 0 HG21 THR A 26 8.329 -12.149 -0.310 1.00 42.52 H new ATOM 0 HG22 THR A 26 6.961 -12.256 -1.443 1.00 42.52 H new ATOM 0 HG23 THR A 26 6.764 -11.415 0.113 1.00 42.52 H new ATOM 478 N LEU A 27 4.011 -11.959 -0.892 1.00 75.30 N ATOM 479 CA LEU A 27 3.336 -10.668 -0.969 1.00 45.20 C ATOM 480 C LEU A 27 2.077 -10.659 -0.108 1.00 41.35 C ATOM 481 O LEU A 27 1.655 -9.611 0.380 1.00 11.42 O ATOM 482 CB LEU A 27 2.979 -10.343 -2.420 1.00 54.13 C ATOM 483 CG LEU A 27 3.783 -11.081 -3.491 1.00 40.53 C ATOM 484 CD1 LEU A 27 3.405 -10.585 -4.878 1.00 44.25 C ATOM 485 CD2 LEU A 27 5.276 -10.909 -3.250 1.00 34.23 C ATOM 0 H LEU A 27 3.970 -12.508 -1.751 1.00 75.30 H new ATOM 0 HA LEU A 27 4.017 -9.906 -0.590 1.00 45.20 H new ATOM 0 HB2 LEU A 27 1.922 -10.564 -2.571 1.00 54.13 H new ATOM 0 HB3 LEU A 27 3.106 -9.271 -2.573 1.00 54.13 H new ATOM 0 HG LEU A 27 3.545 -12.143 -3.430 1.00 40.53 H new ATOM 0 HD11 LEU A 27 3.987 -11.121 -5.627 1.00 44.25 H new ATOM 0 HD12 LEU A 27 2.343 -10.760 -5.050 1.00 44.25 H new ATOM 0 HD13 LEU A 27 3.614 -9.518 -4.952 1.00 44.25 H new ATOM 0 HD21 LEU A 27 5.833 -11.441 -4.022 1.00 34.23 H new ATOM 0 HD22 LEU A 27 5.530 -9.850 -3.284 1.00 34.23 H new ATOM 0 HD23 LEU A 27 5.536 -11.313 -2.272 1.00 34.23 H new ATOM 497 N ARG A 28 1.483 -11.833 0.074 1.00 31.42 N ATOM 498 CA ARG A 28 0.272 -11.961 0.877 1.00 45.23 C ATOM 499 C ARG A 28 0.490 -11.404 2.281 1.00 52.45 C ATOM 500 O ARG A 28 0.048 -10.298 2.595 1.00 22.44 O ATOM 501 CB ARG A 28 -0.158 -13.426 0.959 1.00 34.32 C ATOM 502 CG ARG A 28 0.777 -14.290 1.789 1.00 32.42 C ATOM 503 CD ARG A 28 0.638 -15.762 1.434 1.00 72.34 C ATOM 504 NE ARG A 28 -0.556 -16.358 2.027 1.00 73.32 N ATOM 505 CZ ARG A 28 -0.937 -17.612 1.810 1.00 72.25 C ATOM 506 NH1 ARG A 28 -0.221 -18.398 1.018 1.00 72.35 N ATOM 507 NH2 ARG A 28 -2.036 -18.082 2.386 1.00 72.24 N ATOM 0 H ARG A 28 1.820 -12.710 -0.323 1.00 31.42 H new ATOM 0 HA ARG A 28 -0.517 -11.384 0.394 1.00 45.23 H new ATOM 0 HB2 ARG A 28 -1.160 -13.478 1.384 1.00 34.32 H new ATOM 0 HB3 ARG A 28 -0.218 -13.835 -0.049 1.00 34.32 H new ATOM 0 HG2 ARG A 28 1.807 -13.972 1.628 1.00 32.42 H new ATOM 0 HG3 ARG A 28 0.561 -14.148 2.848 1.00 32.42 H new ATOM 0 HD2 ARG A 28 0.597 -15.871 0.350 1.00 72.34 H new ATOM 0 HD3 ARG A 28 1.521 -16.302 1.776 1.00 72.34 H new ATOM 0 HE ARG A 28 -1.129 -15.780 2.642 1.00 73.32 H new ATOM 0 HH11 ARG A 28 0.625 -18.040 0.574 1.00 72.35 H new ATOM 0 HH12 ARG A 28 -0.516 -19.360 0.853 1.00 72.35 H new ATOM 0 HH21 ARG A 28 -2.589 -17.480 2.996 1.00 72.24 H new ATOM 0 HH22 ARG A 28 -2.328 -19.045 2.219 1.00 72.24 H new