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+ 157:sc= -0.0933 (180deg=-0.392) USER MOD Single : A 1 LYS NZ :NH3+ 162:sc=-0.00653 (180deg=-0.154) USER MOD Single : A 2 TYR OH : rot 158:sc= -0.787 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= -2.2 K(o=-2.2,f=-6.2!) USER MOD Single : A 9 ASN : amide:sc= -0.0238 X(o=-0.024,f=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot -44:sc= 0.0578 USER MOD Single : A 16 HIS : no HD1:sc= -0.693 K(o=-0.69,f=-2.1) 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 0.718 -1.199 -0.018 1.00 51.40 N ATOM 2 CA LYS A 1 1.673 -0.934 -1.088 1.00 34.11 C ATOM 3 C LYS A 1 2.609 -2.121 -1.287 1.00 62.51 C ATOM 4 O LYS A 1 3.820 -1.952 -1.429 1.00 64.01 O ATOM 5 CB LYS A 1 2.486 0.324 -0.774 1.00 61.41 C ATOM 6 CG LYS A 1 2.990 0.381 0.658 1.00 71.33 C ATOM 7 CD LYS A 1 3.775 1.654 0.922 1.00 1.42 C ATOM 8 CE LYS A 1 3.345 2.314 2.224 1.00 64.14 C ATOM 9 NZ LYS A 1 3.489 1.394 3.386 1.00 72.34 N ATOM 0 H1 LYS A 1 0.367 -0.298 0.365 1.00 51.40 H new ATOM 0 H2 LYS A 1 -0.080 -1.750 -0.394 1.00 51.40 H new ATOM 0 H3 LYS A 1 1.185 -1.738 0.739 1.00 51.40 H new ATOM 0 HA LYS A 1 1.114 -0.776 -2.010 1.00 34.11 H new ATOM 0 HB2 LYS A 1 3.338 0.375 -1.452 1.00 61.41 H new ATOM 0 HB3 LYS A 1 1.871 1.202 -0.969 1.00 61.41 H new ATOM 0 HG2 LYS A 1 2.145 0.324 1.345 1.00 71.33 H new ATOM 0 HG3 LYS A 1 3.621 -0.485 0.857 1.00 71.33 H new ATOM 0 HD2 LYS A 1 4.840 1.424 0.964 1.00 1.42 H new ATOM 0 HD3 LYS A 1 3.631 2.350 0.095 1.00 1.42 H new ATOM 0 HE2 LYS A 1 3.944 3.209 2.393 1.00 64.14 H new ATOM 0 HE3 LYS A 1 2.307 2.636 2.142 1.00 64.14 H new ATOM 0 HZ1 LYS A 1 3.486 1.945 4.268 1.00 72.34 H new ATOM 0 HZ2 LYS A 1 2.697 0.720 3.396 1.00 72.34 H new ATOM 0 HZ3 LYS A 1 4.386 0.873 3.307 1.00 72.34 H new ATOM 23 N TYR A 2 2.041 -3.322 -1.298 1.00 52.00 N ATOM 24 CA TYR A 2 2.825 -4.537 -1.479 1.00 64.52 C ATOM 25 C TYR A 2 2.382 -5.291 -2.729 1.00 52.04 C ATOM 26 O TYR A 2 3.165 -6.020 -3.338 1.00 14.40 O ATOM 27 CB TYR A 2 2.695 -5.441 -0.252 1.00 71.42 C ATOM 28 CG TYR A 2 3.842 -6.414 -0.092 1.00 12.45 C ATOM 29 CD1 TYR A 2 4.750 -6.280 0.951 1.00 2.04 C ATOM 30 CD2 TYR A 2 4.018 -7.465 -0.983 1.00 13.33 C ATOM 31 CE1 TYR A 2 5.800 -7.165 1.102 1.00 61.30 C ATOM 32 CE2 TYR A 2 5.064 -8.356 -0.839 1.00 54.41 C ATOM 33 CZ TYR A 2 5.952 -8.202 0.205 1.00 42.45 C ATOM 34 OH TYR A 2 6.996 -9.086 0.350 1.00 23.02 O ATOM 0 H TYR A 2 1.040 -3.480 -1.184 1.00 52.00 H new ATOM 0 HA TYR A 2 3.869 -4.249 -1.601 1.00 64.52 H new ATOM 0 HB2 TYR A 2 2.629 -4.820 0.641 1.00 71.42 H new ATOM 0 HB3 TYR A 2 1.762 -6.000 -0.320 1.00 71.42 H new ATOM 0 HD1 TYR A 2 4.633 -5.470 1.656 1.00 2.04 H new ATOM 0 HD2 TYR A 2 3.325 -7.588 -1.802 1.00 13.33 H new ATOM 0 HE1 TYR A 2 6.498 -7.046 1.918 1.00 61.30 H new ATOM 0 HE2 TYR A 2 5.186 -9.169 -1.540 1.00 54.41 H new ATOM 0 HH TYR A 2 6.782 -9.924 -0.111 1.00 23.02 H new ATOM 44 N GLU A 3 1.120 -5.108 -3.106 1.00 60.31 N ATOM 45 CA GLU A 3 0.572 -5.771 -4.284 1.00 15.24 C ATOM 46 C GLU A 3 1.588 -5.787 -5.422 1.00 22.45 C ATOM 47 O GLU A 3 2.280 -6.783 -5.635 1.00 70.51 O ATOM 48 CB GLU A 3 -0.710 -5.070 -4.740 1.00 2.10 C ATOM 49 CG GLU A 3 -1.923 -5.403 -3.888 1.00 24.34 C ATOM 50 CD GLU A 3 -2.989 -6.156 -4.659 1.00 61.22 C ATOM 51 OE1 GLU A 3 -4.178 -5.794 -4.535 1.00 4.50 O ATOM 52 OE2 GLU A 3 -2.635 -7.107 -5.387 1.00 33.43 O ATOM 0 H GLU A 3 0.459 -4.507 -2.614 1.00 60.31 H new ATOM 0 HA GLU A 3 0.339 -6.801 -4.014 1.00 15.24 H new ATOM 0 HB2 GLU A 3 -0.550 -3.992 -4.723 1.00 2.10 H new ATOM 0 HB3 GLU A 3 -0.916 -5.346 -5.774 1.00 2.10 H new ATOM 0 HG2 GLU A 3 -1.608 -6.001 -3.033 1.00 24.34 H new ATOM 0 HG3 GLU A 3 -2.349 -4.481 -3.493 1.00 24.34 H new ATOM 59 N ILE A 4 1.672 -4.678 -6.148 1.00 72.44 N ATOM 60 CA ILE A 4 2.603 -4.565 -7.264 1.00 24.13 C ATOM 61 C ILE A 4 3.370 -3.248 -7.208 1.00 53.12 C ATOM 62 O ILE A 4 4.509 -3.159 -7.668 1.00 53.22 O ATOM 63 CB ILE A 4 1.876 -4.666 -8.617 1.00 71.24 C ATOM 64 CG1 ILE A 4 2.888 -4.819 -9.755 1.00 31.22 C ATOM 65 CG2 ILE A 4 1.001 -3.442 -8.841 1.00 73.01 C ATOM 66 CD1 ILE A 4 2.298 -4.574 -11.126 1.00 33.32 C ATOM 0 H ILE A 4 1.107 -3.845 -5.984 1.00 72.44 H new ATOM 0 HA ILE A 4 3.304 -5.395 -7.176 1.00 24.13 H new ATOM 0 HB ILE A 4 1.236 -5.549 -8.603 1.00 71.24 H new ATOM 0 HG12 ILE A 4 3.712 -4.124 -9.593 1.00 31.22 H new ATOM 0 HG13 ILE A 4 3.308 -5.824 -9.724 1.00 31.22 H new ATOM 0 HG21 ILE A 4 0.494 -3.528 -9.802 1.00 73.01 H new ATOM 0 HG22 ILE A 4 0.260 -3.374 -8.044 1.00 73.01 H new ATOM 0 HG23 ILE A 4 1.621 -2.546 -8.838 1.00 73.01 H new ATOM 0 HD11 ILE A 4 3.072 -4.700 -11.883 1.00 33.32 H new ATOM 0 HD12 ILE A 4 1.493 -5.286 -11.308 1.00 33.32 H new ATOM 0 HD13 ILE A 4 1.903 -3.559 -11.176 1.00 33.32 H new ATOM 78 N THR A 5 2.738 -2.225 -6.640 1.00 30.30 N ATOM 79 CA THR A 5 3.360 -0.912 -6.523 1.00 73.40 C ATOM 80 C THR A 5 4.826 -1.032 -6.123 1.00 33.03 C ATOM 81 O THR A 5 5.666 -0.244 -6.558 1.00 51.13 O ATOM 82 CB THR A 5 2.628 -0.034 -5.491 1.00 55.01 C ATOM 83 OG1 THR A 5 3.072 1.323 -5.600 1.00 33.02 O ATOM 84 CG2 THR A 5 2.872 -0.541 -4.078 1.00 21.31 C ATOM 0 H THR A 5 1.796 -2.281 -6.254 1.00 30.30 H new ATOM 0 HA THR A 5 3.291 -0.441 -7.504 1.00 73.40 H new ATOM 0 HB THR A 5 1.559 -0.084 -5.698 1.00 55.01 H new ATOM 0 HG1 THR A 5 2.601 1.875 -4.942 1.00 33.02 H new ATOM 0 HG21 THR A 5 2.345 0.095 -3.367 1.00 21.31 H new ATOM 0 HG22 THR A 5 2.506 -1.564 -3.990 1.00 21.31 H new ATOM 0 HG23 THR A 5 3.940 -0.518 -3.863 1.00 21.31 H new ATOM 92 N THR A 6 5.128 -2.024 -5.290 1.00 42.43 N ATOM 93 CA THR A 6 6.493 -2.246 -4.831 1.00 23.13 C ATOM 94 C THR A 6 6.973 -3.647 -5.191 1.00 62.33 C ATOM 95 O THR A 6 8.176 -3.897 -5.282 1.00 34.54 O ATOM 96 CB THR A 6 6.612 -2.051 -3.307 1.00 70.34 C ATOM 97 OG1 THR A 6 7.963 -1.730 -2.958 1.00 61.33 O ATOM 98 CG2 THR A 6 6.176 -3.306 -2.566 1.00 14.22 C ATOM 0 H THR A 6 4.445 -2.686 -4.920 1.00 42.43 H new ATOM 0 HA THR A 6 7.119 -1.510 -5.334 1.00 23.13 H new ATOM 0 HB THR A 6 5.957 -1.230 -3.016 1.00 70.34 H new ATOM 0 HG1 THR A 6 8.030 -1.606 -1.988 1.00 61.33 H new ATOM 0 HG21 THR A 6 6.269 -3.145 -1.492 1.00 14.22 H new ATOM 0 HG22 THR A 6 5.138 -3.531 -2.811 1.00 14.22 H new ATOM 0 HG23 THR A 6 6.809 -4.142 -2.863 1.00 14.22 H new ATOM 106 N ILE A 7 6.027 -4.557 -5.397 1.00 30.10 N ATOM 107 CA ILE A 7 6.355 -5.933 -5.750 1.00 15.13 C ATOM 108 C ILE A 7 7.317 -5.983 -6.931 1.00 63.22 C ATOM 109 O ILE A 7 8.237 -6.801 -6.962 1.00 24.21 O ATOM 110 CB ILE A 7 5.090 -6.741 -6.097 1.00 64.24 C ATOM 111 CG1 ILE A 7 5.110 -8.093 -5.381 1.00 61.12 C ATOM 112 CG2 ILE A 7 4.983 -6.935 -7.603 1.00 13.55 C ATOM 113 CD1 ILE A 7 5.123 -7.978 -3.873 1.00 2.20 C ATOM 0 H ILE A 7 5.028 -4.366 -5.326 1.00 30.10 H new ATOM 0 HA ILE A 7 6.833 -6.378 -4.877 1.00 15.13 H new ATOM 0 HB ILE A 7 4.216 -6.184 -5.758 1.00 64.24 H new ATOM 0 HG12 ILE A 7 4.236 -8.669 -5.686 1.00 61.12 H new ATOM 0 HG13 ILE A 7 5.989 -8.652 -5.702 1.00 61.12 H new ATOM 0 HG21 ILE A 7 4.084 -7.508 -7.833 1.00 13.55 H new ATOM 0 HG22 ILE A 7 4.929 -5.962 -8.092 1.00 13.55 H new ATOM 0 HG23 ILE A 7 5.859 -7.474 -7.964 1.00 13.55 H new ATOM 0 HD11 ILE A 7 5.137 -8.975 -3.432 1.00 2.20 H new ATOM 0 HD12 ILE A 7 6.010 -7.429 -3.558 1.00 2.20 H new ATOM 0 HD13 ILE A 7 4.231 -7.447 -3.541 1.00 2.20 H new ATOM 125 N HIS A 8 7.100 -5.102 -7.902 1.00 44.23 N ATOM 126 CA HIS A 8 7.951 -5.044 -9.086 1.00 12.30 C ATOM 127 C HIS A 8 9.417 -4.890 -8.694 1.00 43.43 C ATOM 128 O HIS A 8 10.314 -5.227 -9.466 1.00 2.41 O ATOM 129 CB HIS A 8 7.527 -3.884 -9.988 1.00 1.02 C ATOM 130 CG HIS A 8 7.793 -2.535 -9.394 1.00 24.12 C ATOM 131 ND1 HIS A 8 7.869 -2.313 -8.035 1.00 43.20 N ATOM 132 CD2 HIS A 8 8.004 -1.335 -9.982 1.00 51.53 C ATOM 133 CE1 HIS A 8 8.113 -1.034 -7.813 1.00 42.54 C ATOM 134 NE2 HIS A 8 8.200 -0.418 -8.979 1.00 11.12 N ATOM 0 H HIS A 8 6.343 -4.419 -7.893 1.00 44.23 H new ATOM 0 HA HIS A 8 7.836 -5.980 -9.633 1.00 12.30 H new ATOM 0 HB2 HIS A 8 8.053 -3.963 -10.939 1.00 1.02 H new ATOM 0 HB3 HIS A 8 6.462 -3.973 -10.204 1.00 1.02 H new ATOM 0 HD2 HIS A 8 8.016 -1.135 -11.043 1.00 51.53 H new ATOM 0 HE1 HIS A 8 8.223 -0.571 -6.844 1.00 42.54 H new ATOM 0 HE2 HIS A 8 8.383 0.577 -9.112 1.00 11.12 H new ATOM 142 N ASN A 9 9.653 -4.378 -7.491 1.00 13.54 N ATOM 143 CA ASN A 9 11.011 -4.177 -6.997 1.00 75.54 C ATOM 144 C ASN A 9 11.469 -5.372 -6.166 1.00 53.10 C ATOM 145 O ASN A 9 12.656 -5.698 -6.129 1.00 70.03 O ATOM 146 CB ASN A 9 11.088 -2.899 -6.160 1.00 61.31 C ATOM 147 CG ASN A 9 12.518 -2.479 -5.878 1.00 54.53 C ATOM 148 OD1 ASN A 9 12.949 -2.439 -4.726 1.00 21.20 O ATOM 149 ND2 ASN A 9 13.260 -2.161 -6.933 1.00 34.31 N ATOM 0 H ASN A 9 8.921 -4.094 -6.839 1.00 13.54 H new ATOM 0 HA ASN A 9 11.674 -4.079 -7.857 1.00 75.54 H new ATOM 0 HB2 ASN A 9 10.572 -2.094 -6.683 1.00 61.31 H new ATOM 0 HB3 ASN A 9 10.565 -3.054 -5.216 1.00 61.31 H new ATOM 0 HD21 ASN A 9 14.229 -1.869 -6.806 1.00 34.31 H new ATOM 0 HD22 ASN A 9 12.861 -2.209 -7.870 1.00 34.31 H new ATOM 156 N LEU A 10 10.520 -6.021 -5.500 1.00 71.03 N ATOM 157 CA LEU A 10 10.825 -7.181 -4.669 1.00 41.53 C ATOM 158 C LEU A 10 10.852 -8.457 -5.504 1.00 42.22 C ATOM 159 O LEU A 10 11.483 -9.445 -5.127 1.00 41.51 O ATOM 160 CB LEU A 10 9.794 -7.314 -3.547 1.00 5.42 C ATOM 161 CG LEU A 10 9.265 -8.724 -3.285 1.00 60.14 C ATOM 162 CD1 LEU A 10 8.775 -8.853 -1.851 1.00 62.25 C ATOM 163 CD2 LEU A 10 8.151 -9.066 -4.264 1.00 41.53 C ATOM 0 H LEU A 10 9.533 -5.764 -5.519 1.00 71.03 H new ATOM 0 HA LEU A 10 11.812 -7.034 -4.231 1.00 41.53 H new ATOM 0 HB2 LEU A 10 10.239 -6.937 -2.626 1.00 5.42 H new ATOM 0 HB3 LEU A 10 8.948 -6.668 -3.780 1.00 5.42 H new ATOM 0 HG LEU A 10 10.082 -9.431 -3.433 1.00 60.14 H new ATOM 0 HD11 LEU A 10 8.402 -9.863 -1.683 1.00 62.25 H new ATOM 0 HD12 LEU A 10 9.598 -8.652 -1.166 1.00 62.25 H new ATOM 0 HD13 LEU A 10 7.973 -8.136 -1.675 1.00 62.25 H new ATOM 0 HD21 LEU A 10 7.786 -10.073 -4.063 1.00 41.53 H new ATOM 0 HD22 LEU A 10 7.334 -8.354 -4.148 1.00 41.53 H new ATOM 0 HD23 LEU A 10 8.534 -9.016 -5.283 1.00 41.53 H new ATOM 175 N PHE A 11 10.165 -8.429 -6.641 1.00 42.54 N ATOM 176 CA PHE A 11 10.111 -9.583 -7.531 1.00 4.20 C ATOM 177 C PHE A 11 11.479 -10.252 -7.638 1.00 12.55 C ATOM 178 O PHE A 11 12.405 -9.704 -8.236 1.00 54.32 O ATOM 179 CB PHE A 11 9.628 -9.161 -8.920 1.00 11.21 C ATOM 180 CG PHE A 11 8.139 -9.258 -9.091 1.00 51.15 C ATOM 181 CD1 PHE A 11 7.475 -8.430 -9.983 1.00 24.05 C ATOM 182 CD2 PHE A 11 7.403 -10.177 -8.361 1.00 53.11 C ATOM 183 CE1 PHE A 11 6.105 -8.517 -10.143 1.00 62.11 C ATOM 184 CE2 PHE A 11 6.033 -10.269 -8.518 1.00 14.33 C ATOM 185 CZ PHE A 11 5.383 -9.437 -9.409 1.00 31.12 C ATOM 0 H PHE A 11 9.638 -7.619 -6.968 1.00 42.54 H new ATOM 0 HA PHE A 11 9.406 -10.301 -7.111 1.00 4.20 H new ATOM 0 HB2 PHE A 11 9.941 -8.134 -9.109 1.00 11.21 H new ATOM 0 HB3 PHE A 11 10.113 -9.785 -9.670 1.00 11.21 H new ATOM 0 HD1 PHE A 11 8.035 -7.709 -10.560 1.00 24.05 H new ATOM 0 HD2 PHE A 11 7.905 -10.829 -7.662 1.00 53.11 H new ATOM 0 HE1 PHE A 11 5.600 -7.866 -10.841 1.00 62.11 H new ATOM 0 HE2 PHE A 11 5.471 -10.991 -7.944 1.00 14.33 H new ATOM 0 HZ PHE A 11 4.312 -9.506 -9.531 1.00 31.12 H new ATOM 195 N ARG A 12 11.597 -11.439 -7.052 1.00 5.41 N ATOM 196 CA ARG A 12 12.851 -12.182 -7.079 1.00 4.10 C ATOM 197 C ARG A 12 13.365 -12.330 -8.508 1.00 41.22 C ATOM 198 O ARG A 12 14.563 -12.208 -8.765 1.00 21.32 O ATOM 199 CB ARG A 12 12.664 -13.563 -6.448 1.00 1.35 C ATOM 200 CG ARG A 12 11.844 -13.541 -5.168 1.00 70.11 C ATOM 201 CD ARG A 12 12.307 -12.439 -4.228 1.00 54.33 C ATOM 202 NE ARG A 12 13.642 -12.697 -3.697 1.00 20.44 N ATOM 203 CZ ARG A 12 13.891 -13.571 -2.727 1.00 54.31 C ATOM 204 NH1 ARG A 12 12.899 -14.266 -2.186 1.00 45.15 N ATOM 205 NH2 ARG A 12 15.133 -13.750 -2.297 1.00 31.51 N ATOM 0 H ARG A 12 10.840 -11.906 -6.553 1.00 5.41 H new ATOM 0 HA ARG A 12 13.588 -11.623 -6.502 1.00 4.10 H new ATOM 0 HB2 ARG A 12 12.178 -14.220 -7.169 1.00 1.35 H new ATOM 0 HB3 ARG A 12 13.643 -13.992 -6.235 1.00 1.35 H new ATOM 0 HG2 ARG A 12 10.792 -13.395 -5.411 1.00 70.11 H new ATOM 0 HG3 ARG A 12 11.924 -14.506 -4.667 1.00 70.11 H new ATOM 0 HD2 ARG A 12 12.306 -11.486 -4.758 1.00 54.33 H new ATOM 0 HD3 ARG A 12 11.601 -12.346 -3.403 1.00 54.33 H new ATOM 0 HE ARG A 12 14.427 -12.178 -4.092 1.00 20.44 H new ATOM 0 HH11 ARG A 12 11.943 -14.130 -2.514 1.00 45.15 H new ATOM 0 HH12 ARG A 12 13.092 -14.936 -1.442 1.00 45.15 H new ATOM 0 HH21 ARG A 12 15.898 -13.217 -2.711 1.00 31.51 H new ATOM 0 HH22 ARG A 12 15.323 -14.421 -1.553 1.00 31.51 H new ATOM 219 N LYS A 13 12.451 -12.593 -9.436 1.00 32.44 N ATOM 220 CA LYS A 13 12.809 -12.757 -10.839 1.00 64.43 C ATOM 221 C LYS A 13 12.071 -11.747 -11.711 1.00 50.12 C ATOM 222 O LYS A 13 12.531 -10.620 -11.898 1.00 41.35 O ATOM 223 CB LYS A 13 12.490 -14.179 -11.306 1.00 34.41 C ATOM 224 CG LYS A 13 11.606 -14.952 -10.341 1.00 43.24 C ATOM 225 CD LYS A 13 12.368 -16.083 -9.671 1.00 42.22 C ATOM 226 CE LYS A 13 13.600 -15.569 -8.941 1.00 34.42 C ATOM 227 NZ LYS A 13 14.789 -16.432 -9.185 1.00 10.50 N ATOM 0 H LYS A 13 11.455 -12.697 -9.241 1.00 32.44 H new ATOM 0 HA LYS A 13 13.880 -12.581 -10.937 1.00 64.43 H new ATOM 0 HB2 LYS A 13 11.998 -14.132 -12.278 1.00 34.41 H new ATOM 0 HB3 LYS A 13 13.423 -14.724 -11.447 1.00 34.41 H new ATOM 0 HG2 LYS A 13 11.216 -14.275 -9.581 1.00 43.24 H new ATOM 0 HG3 LYS A 13 10.748 -15.358 -10.877 1.00 43.24 H new ATOM 0 HD2 LYS A 13 11.714 -16.596 -8.966 1.00 42.22 H new ATOM 0 HD3 LYS A 13 12.667 -16.816 -10.420 1.00 42.22 H new ATOM 0 HE2 LYS A 13 13.817 -14.551 -9.266 1.00 34.42 H new ATOM 0 HE3 LYS A 13 13.396 -15.525 -7.871 1.00 34.42 H new ATOM 0 HZ1 LYS A 13 15.608 -16.049 -8.671 1.00 10.50 H new ATOM 0 HZ2 LYS A 13 14.592 -17.397 -8.852 1.00 10.50 H new ATOM 0 HZ3 LYS A 13 14.999 -16.454 -10.203 1.00 10.50 H new ATOM 241 N LEU A 14 10.924 -12.156 -12.241 1.00 73.40 N ATOM 242 CA LEU A 14 10.120 -11.286 -13.092 1.00 42.23 C ATOM 243 C LEU A 14 8.809 -10.913 -12.407 1.00 45.00 C ATOM 244 O LEU A 14 8.718 -9.886 -11.733 1.00 60.22 O ATOM 245 CB LEU A 14 9.833 -11.971 -14.429 1.00 51.15 C ATOM 246 CG LEU A 14 8.756 -11.321 -15.299 1.00 43.21 C ATOM 247 CD1 LEU A 14 9.367 -10.757 -16.573 1.00 22.23 C ATOM 248 CD2 LEU A 14 7.660 -12.323 -15.629 1.00 63.45 C ATOM 0 H LEU A 14 10.529 -13.085 -12.096 1.00 73.40 H new ATOM 0 HA LEU A 14 10.686 -10.372 -13.273 1.00 42.23 H new ATOM 0 HB2 LEU A 14 10.760 -12.009 -15.001 1.00 51.15 H new ATOM 0 HB3 LEU A 14 9.538 -13.002 -14.231 1.00 51.15 H new ATOM 0 HG LEU A 14 8.311 -10.498 -14.739 1.00 43.21 H new ATOM 0 HD11 LEU A 14 8.586 -10.299 -17.179 1.00 22.23 H new ATOM 0 HD12 LEU A 14 10.115 -10.006 -16.317 1.00 22.23 H new ATOM 0 HD13 LEU A 14 9.839 -11.561 -17.137 1.00 22.23 H new ATOM 0 HD21 LEU A 14 6.903 -11.843 -16.249 1.00 63.45 H new ATOM 0 HD22 LEU A 14 8.089 -13.167 -16.169 1.00 63.45 H new ATOM 0 HD23 LEU A 14 7.202 -12.678 -14.706 1.00 63.45 H new ATOM 260 N THR A 15 7.796 -11.755 -12.582 1.00 33.34 N ATOM 261 CA THR A 15 6.490 -11.515 -11.980 1.00 23.44 C ATOM 262 C THR A 15 6.001 -12.743 -11.221 1.00 32.43 C ATOM 263 O THR A 15 5.954 -12.747 -9.990 1.00 75.21 O ATOM 264 CB THR A 15 5.444 -11.132 -13.043 1.00 15.25 C ATOM 265 OG1 THR A 15 5.632 -9.771 -13.447 1.00 64.34 O ATOM 266 CG2 THR A 15 4.033 -11.315 -12.503 1.00 52.44 C ATOM 0 H THR A 15 7.855 -12.610 -13.136 1.00 33.34 H new ATOM 0 HA THR A 15 6.610 -10.685 -11.284 1.00 23.44 H new ATOM 0 HB THR A 15 5.575 -11.788 -13.904 1.00 15.25 H new ATOM 0 HG1 THR A 15 5.786 -9.213 -12.656 1.00 64.34 H new ATOM 0 HG21 THR A 15 3.311 -11.038 -13.271 1.00 52.44 H new ATOM 0 HG22 THR A 15 3.883 -12.358 -12.223 1.00 52.44 H new ATOM 0 HG23 THR A 15 3.893 -10.680 -11.628 1.00 52.44 H new ATOM 274 N HIS A 16 5.638 -13.786 -11.962 1.00 14.43 N ATOM 275 CA HIS A 16 5.153 -15.021 -11.357 1.00 75.35 C ATOM 276 C HIS A 16 5.888 -16.230 -11.928 1.00 71.31 C ATOM 277 O HIS A 16 5.468 -17.372 -11.736 1.00 50.53 O ATOM 278 CB HIS A 16 3.648 -15.170 -11.587 1.00 42.20 C ATOM 279 CG HIS A 16 3.211 -14.780 -12.965 1.00 42.35 C ATOM 280 ND1 HIS A 16 3.954 -15.049 -14.095 1.00 65.51 N ATOM 281 CD2 HIS A 16 2.099 -14.138 -13.393 1.00 51.22 C ATOM 282 CE1 HIS A 16 3.319 -14.589 -15.158 1.00 1.11 C ATOM 283 NE2 HIS A 16 2.190 -14.031 -14.759 1.00 60.52 N ATOM 0 H HIS A 16 5.671 -13.800 -12.981 1.00 14.43 H new ATOM 0 HA HIS A 16 5.346 -14.972 -10.285 1.00 75.35 H new ATOM 0 HB2 HIS A 16 3.362 -16.206 -11.403 1.00 42.20 H new ATOM 0 HB3 HIS A 16 3.115 -14.558 -10.859 1.00 42.20 H new ATOM 0 HD2 HIS A 16 1.290 -13.777 -12.775 1.00 51.22 H new ATOM 0 HE1 HIS A 16 3.664 -14.657 -16.179 1.00 1.11 H new ATOM 0 HE2 HIS A 16 1.498 -13.592 -15.367 1.00 60.52 H new ATOM 291 N ARG A 17 6.986 -15.972 -12.630 1.00 42.51 N ATOM 292 CA ARG A 17 7.778 -17.038 -13.230 1.00 64.21 C ATOM 293 C ARG A 17 7.885 -18.233 -12.287 1.00 11.23 C ATOM 294 O ARG A 17 7.151 -19.213 -12.423 1.00 50.30 O ATOM 295 CB ARG A 17 9.177 -16.527 -13.583 1.00 75.41 C ATOM 296 CG ARG A 17 9.471 -16.540 -15.074 1.00 40.02 C ATOM 297 CD ARG A 17 8.391 -15.814 -15.861 1.00 61.45 C ATOM 298 NE ARG A 17 8.929 -15.154 -17.048 1.00 31.20 N ATOM 299 CZ ARG A 17 8.189 -14.809 -18.096 1.00 10.54 C ATOM 300 NH1 ARG A 17 6.887 -15.059 -18.103 1.00 50.33 N ATOM 301 NH2 ARG A 17 8.751 -14.211 -19.138 1.00 43.23 N ATOM 0 H ARG A 17 7.348 -15.033 -12.797 1.00 42.51 H new ATOM 0 HA ARG A 17 7.275 -17.360 -14.142 1.00 64.21 H new ATOM 0 HB2 ARG A 17 9.288 -15.510 -13.208 1.00 75.41 H new ATOM 0 HB3 ARG A 17 9.919 -17.139 -13.070 1.00 75.41 H new ATOM 0 HG2 ARG A 17 10.437 -16.069 -15.260 1.00 40.02 H new ATOM 0 HG3 ARG A 17 9.546 -17.570 -15.422 1.00 40.02 H new ATOM 0 HD2 ARG A 17 7.620 -16.525 -16.159 1.00 61.45 H new ATOM 0 HD3 ARG A 17 7.911 -15.074 -15.221 1.00 61.45 H new ATOM 0 HE ARG A 17 9.927 -14.947 -17.074 1.00 31.20 H new ATOM 0 HH11 ARG A 17 6.451 -15.517 -17.303 1.00 50.33 H new ATOM 0 HH12 ARG A 17 6.321 -14.793 -18.909 1.00 50.33 H new ATOM 0 HH21 ARG A 17 9.752 -14.016 -19.135 1.00 43.23 H new ATOM 0 HH22 ARG A 17 8.182 -13.946 -19.942 1.00 43.23 H new ATOM 315 N LEU A 18 8.803 -18.145 -11.331 1.00 1.02 N ATOM 316 CA LEU A 18 9.007 -19.219 -10.364 1.00 54.33 C ATOM 317 C LEU A 18 9.041 -18.671 -8.941 1.00 51.12 C ATOM 318 O LEU A 18 9.967 -18.951 -8.179 1.00 54.12 O ATOM 319 CB LEU A 18 10.307 -19.965 -10.667 1.00 42.34 C ATOM 320 CG LEU A 18 11.593 -19.145 -10.553 1.00 62.41 C ATOM 321 CD1 LEU A 18 12.704 -19.979 -9.933 1.00 13.11 C ATOM 322 CD2 LEU A 18 12.015 -18.622 -11.918 1.00 63.24 C ATOM 0 H LEU A 18 9.418 -17.341 -11.204 1.00 1.02 H new ATOM 0 HA LEU A 18 8.170 -19.913 -10.447 1.00 54.33 H new ATOM 0 HB2 LEU A 18 10.381 -20.816 -9.989 1.00 42.34 H new ATOM 0 HB3 LEU A 18 10.245 -20.367 -11.678 1.00 42.34 H new ATOM 0 HG LEU A 18 11.401 -18.292 -9.903 1.00 62.41 H new ATOM 0 HD11 LEU A 18 13.611 -19.379 -9.860 1.00 13.11 H new ATOM 0 HD12 LEU A 18 12.402 -20.304 -8.937 1.00 13.11 H new ATOM 0 HD13 LEU A 18 12.895 -20.852 -10.557 1.00 13.11 H new ATOM 0 HD21 LEU A 18 12.932 -18.041 -11.818 1.00 63.24 H new ATOM 0 HD22 LEU A 18 12.189 -19.461 -12.591 1.00 63.24 H new ATOM 0 HD23 LEU A 18 11.227 -17.989 -12.325 1.00 63.24 H new ATOM 334 N PHE A 19 8.025 -17.891 -8.588 1.00 51.53 N ATOM 335 CA PHE A 19 7.938 -17.304 -7.256 1.00 31.31 C ATOM 336 C PHE A 19 7.256 -18.263 -6.284 1.00 2.44 C ATOM 337 O PHE A 19 6.674 -17.840 -5.285 1.00 30.04 O ATOM 338 CB PHE A 19 7.172 -15.981 -7.307 1.00 13.12 C ATOM 339 CG PHE A 19 7.814 -14.950 -8.191 1.00 34.20 C ATOM 340 CD1 PHE A 19 8.468 -13.859 -7.643 1.00 14.30 C ATOM 341 CD2 PHE A 19 7.762 -15.073 -9.570 1.00 43.22 C ATOM 342 CE1 PHE A 19 9.060 -12.909 -8.454 1.00 13.43 C ATOM 343 CE2 PHE A 19 8.353 -14.126 -10.386 1.00 31.21 C ATOM 344 CZ PHE A 19 9.001 -13.042 -9.827 1.00 63.10 C ATOM 0 H PHE A 19 7.250 -17.651 -9.206 1.00 51.53 H new ATOM 0 HA PHE A 19 8.951 -17.115 -6.902 1.00 31.31 H new ATOM 0 HB2 PHE A 19 6.158 -16.171 -7.660 1.00 13.12 H new ATOM 0 HB3 PHE A 19 7.088 -15.580 -6.297 1.00 13.12 H new ATOM 0 HD1 PHE A 19 8.516 -13.749 -6.570 1.00 14.30 H new ATOM 0 HD2 PHE A 19 7.254 -15.917 -10.012 1.00 43.22 H new ATOM 0 HE1 PHE A 19 9.568 -12.064 -8.014 1.00 13.43 H new ATOM 0 HE2 PHE A 19 8.308 -14.234 -11.460 1.00 31.21 H new ATOM 0 HZ PHE A 19 9.461 -12.300 -10.463 1.00 63.10 H new ATOM 354 N ARG A 20 7.333 -19.555 -6.584 1.00 53.13 N ATOM 355 CA ARG A 20 6.722 -20.574 -5.739 1.00 0.52 C ATOM 356 C ARG A 20 7.701 -21.712 -5.465 1.00 40.53 C ATOM 357 O ARG A 20 7.432 -22.592 -4.648 1.00 72.34 O ATOM 358 CB ARG A 20 5.456 -21.123 -6.399 1.00 63.12 C ATOM 359 CG ARG A 20 4.408 -20.060 -6.685 1.00 70.33 C ATOM 360 CD ARG A 20 4.338 -19.732 -8.168 1.00 43.44 C ATOM 361 NE ARG A 20 3.505 -18.561 -8.431 1.00 71.41 N ATOM 362 CZ ARG A 20 2.179 -18.572 -8.356 1.00 13.10 C ATOM 363 NH1 ARG A 20 1.539 -19.686 -8.027 1.00 52.43 N ATOM 364 NH2 ARG A 20 1.490 -17.466 -8.609 1.00 71.44 N ATOM 0 H ARG A 20 7.813 -19.921 -7.406 1.00 53.13 H new ATOM 0 HA ARG A 20 6.456 -20.110 -4.789 1.00 0.52 H new ATOM 0 HB2 ARG A 20 5.727 -21.614 -7.333 1.00 63.12 H new ATOM 0 HB3 ARG A 20 5.021 -21.885 -5.753 1.00 63.12 H new ATOM 0 HG2 ARG A 20 3.433 -20.407 -6.341 1.00 70.33 H new ATOM 0 HG3 ARG A 20 4.642 -19.156 -6.122 1.00 70.33 H new ATOM 0 HD2 ARG A 20 5.344 -19.554 -8.548 1.00 43.44 H new ATOM 0 HD3 ARG A 20 3.940 -20.589 -8.711 1.00 43.44 H new ATOM 0 HE ARG A 20 3.967 -17.688 -8.686 1.00 71.41 H new ATOM 0 HH11 ARG A 20 2.065 -20.537 -7.831 1.00 52.43 H new ATOM 0 HH12 ARG A 20 0.521 -19.691 -7.970 1.00 52.43 H new ATOM 0 HH21 ARG A 20 1.979 -16.607 -8.861 1.00 71.44 H new ATOM 0 HH22 ARG A 20 0.472 -17.475 -8.551 1.00 71.44 H new ATOM 378 N ARG A 21 8.837 -21.686 -6.154 1.00 61.34 N ATOM 379 CA ARG A 21 9.855 -22.716 -5.987 1.00 62.31 C ATOM 380 C ARG A 21 10.378 -22.737 -4.554 1.00 14.34 C ATOM 381 O ARG A 21 10.136 -23.685 -3.808 1.00 65.11 O ATOM 382 CB ARG A 21 11.013 -22.482 -6.960 1.00 34.23 C ATOM 383 CG ARG A 21 10.676 -22.826 -8.401 1.00 74.24 C ATOM 384 CD ARG A 21 10.567 -24.329 -8.605 1.00 34.34 C ATOM 385 NE ARG A 21 11.113 -24.748 -9.893 1.00 33.54 N ATOM 386 CZ ARG A 21 10.486 -24.569 -11.050 1.00 42.41 C ATOM 387 NH1 ARG A 21 9.299 -23.980 -11.080 1.00 74.04 N ATOM 388 NH2 ARG A 21 11.048 -24.978 -12.180 1.00 41.45 N ATOM 0 H ARG A 21 9.076 -20.963 -6.833 1.00 61.34 H new ATOM 0 HA ARG A 21 9.397 -23.681 -6.203 1.00 62.31 H new ATOM 0 HB2 ARG A 21 11.316 -21.436 -6.906 1.00 34.23 H new ATOM 0 HB3 ARG A 21 11.869 -23.078 -6.643 1.00 34.23 H new ATOM 0 HG2 ARG A 21 9.735 -22.351 -8.679 1.00 74.24 H new ATOM 0 HG3 ARG A 21 11.444 -22.423 -9.061 1.00 74.24 H new ATOM 0 HD2 ARG A 21 11.096 -24.843 -7.803 1.00 34.34 H new ATOM 0 HD3 ARG A 21 9.521 -24.629 -8.540 1.00 34.34 H new ATOM 0 HE ARG A 21 12.026 -25.203 -9.905 1.00 33.54 H new ATOM 0 HH11 ARG A 21 8.865 -23.663 -10.213 1.00 74.04 H new ATOM 0 HH12 ARG A 21 8.820 -23.844 -11.970 1.00 74.04 H new ATOM 0 HH21 ARG A 21 11.962 -25.430 -12.160 1.00 41.45 H new ATOM 0 HH22 ARG A 21 10.566 -24.840 -13.068 1.00 41.45 H new ATOM 402 N ASN A 22 11.095 -21.683 -4.176 1.00 31.54 N ATOM 403 CA ASN A 22 11.652 -21.581 -2.832 1.00 5.11 C ATOM 404 C ASN A 22 10.833 -20.621 -1.975 1.00 32.34 C ATOM 405 O ASN A 22 10.632 -20.854 -0.782 1.00 73.14 O ATOM 406 CB ASN A 22 13.107 -21.110 -2.895 1.00 70.53 C ATOM 407 CG ASN A 22 14.057 -22.222 -3.297 1.00 62.10 C ATOM 408 OD1 ASN A 22 14.397 -22.370 -4.471 1.00 55.32 O ATOM 409 ND2 ASN A 22 14.491 -23.011 -2.321 1.00 1.22 N ATOM 0 H ASN A 22 11.304 -20.889 -4.781 1.00 31.54 H new ATOM 0 HA ASN A 22 11.616 -22.570 -2.375 1.00 5.11 H new ATOM 0 HB2 ASN A 22 13.190 -20.289 -3.608 1.00 70.53 H new ATOM 0 HB3 ASN A 22 13.402 -20.718 -1.922 1.00 70.53 H new ATOM 0 HD21 ASN A 22 15.132 -23.776 -2.531 1.00 1.22 H new ATOM 0 HD22 ASN A 22 14.183 -22.852 -1.362 1.00 1.22 H new ATOM 416 N PHE A 23 10.362 -19.542 -2.590 1.00 54.11 N ATOM 417 CA PHE A 23 9.564 -18.546 -1.884 1.00 31.22 C ATOM 418 C PHE A 23 8.075 -18.764 -2.136 1.00 33.24 C ATOM 419 O PHE A 23 7.535 -18.325 -3.150 1.00 34.11 O ATOM 420 CB PHE A 23 9.966 -17.136 -2.321 1.00 75.15 C ATOM 421 CG PHE A 23 10.860 -17.115 -3.528 1.00 1.12 C ATOM 422 CD1 PHE A 23 12.180 -17.526 -3.435 1.00 41.43 C ATOM 423 CD2 PHE A 23 10.381 -16.684 -4.754 1.00 51.43 C ATOM 424 CE1 PHE A 23 13.006 -17.508 -4.544 1.00 11.44 C ATOM 425 CE2 PHE A 23 11.202 -16.664 -5.866 1.00 52.11 C ATOM 426 CZ PHE A 23 12.516 -17.075 -5.760 1.00 62.23 C ATOM 0 H PHE A 23 10.519 -19.334 -3.576 1.00 54.11 H new ATOM 0 HA PHE A 23 9.754 -18.655 -0.816 1.00 31.22 H new ATOM 0 HB2 PHE A 23 9.066 -16.560 -2.535 1.00 75.15 H new ATOM 0 HB3 PHE A 23 10.473 -16.639 -1.494 1.00 75.15 H new ATOM 0 HD1 PHE A 23 12.568 -17.864 -2.486 1.00 41.43 H new ATOM 0 HD2 PHE A 23 9.355 -16.360 -4.842 1.00 51.43 H new ATOM 0 HE1 PHE A 23 14.033 -17.832 -4.459 1.00 11.44 H new ATOM 0 HE2 PHE A 23 10.816 -16.327 -6.817 1.00 52.11 H new ATOM 0 HZ PHE A 23 13.160 -17.058 -6.627 1.00 62.23 H new ATOM 436 N GLY A 24 7.417 -19.447 -1.203 1.00 73.05 N ATOM 437 CA GLY A 24 5.997 -19.713 -1.342 1.00 53.34 C ATOM 438 C GLY A 24 5.296 -18.684 -2.208 1.00 64.20 C ATOM 439 O GLY A 24 5.210 -18.843 -3.426 1.00 1.11 O ATOM 0 H GLY A 24 7.842 -19.820 -0.354 1.00 73.05 H new ATOM 0 HA2 GLY A 24 5.857 -20.704 -1.775 1.00 53.34 H new ATOM 0 HA3 GLY A 24 5.535 -19.728 -0.355 1.00 53.34 H new ATOM 443 N TYR A 25 4.794 -17.628 -1.579 1.00 53.20 N ATOM 444 CA TYR A 25 4.093 -16.571 -2.299 1.00 64.14 C ATOM 445 C TYR A 25 4.477 -15.197 -1.760 1.00 5.24 C ATOM 446 O TYR A 25 3.617 -14.407 -1.369 1.00 5.35 O ATOM 447 CB TYR A 25 2.580 -16.769 -2.193 1.00 3.42 C ATOM 448 CG TYR A 25 1.835 -16.439 -3.467 1.00 4.03 C ATOM 449 CD1 TYR A 25 2.439 -15.697 -4.475 1.00 35.00 C ATOM 450 CD2 TYR A 25 0.529 -16.868 -3.662 1.00 33.42 C ATOM 451 CE1 TYR A 25 1.762 -15.393 -5.640 1.00 52.23 C ATOM 452 CE2 TYR A 25 -0.155 -16.570 -4.824 1.00 72.24 C ATOM 453 CZ TYR A 25 0.465 -15.832 -5.810 1.00 64.15 C ATOM 454 OH TYR A 25 -0.213 -15.532 -6.969 1.00 41.35 O ATOM 0 H TYR A 25 4.859 -17.481 -0.572 1.00 53.20 H new ATOM 0 HA TYR A 25 4.387 -16.624 -3.347 1.00 64.14 H new ATOM 0 HB2 TYR A 25 2.376 -17.804 -1.921 1.00 3.42 H new ATOM 0 HB3 TYR A 25 2.196 -16.145 -1.386 1.00 3.42 H new ATOM 0 HD1 TYR A 25 3.454 -15.352 -4.345 1.00 35.00 H new ATOM 0 HD2 TYR A 25 0.039 -17.445 -2.891 1.00 33.42 H new ATOM 0 HE1 TYR A 25 2.245 -14.815 -6.414 1.00 52.23 H new ATOM 0 HE2 TYR A 25 -1.170 -16.913 -4.960 1.00 72.24 H new ATOM 0 HH TYR A 25 -1.114 -15.916 -6.930 1.00 41.35 H new ATOM 464 N THR A 26 5.777 -14.917 -1.742 1.00 21.34 N ATOM 465 CA THR A 26 6.277 -13.640 -1.250 1.00 44.31 C ATOM 466 C THR A 26 5.529 -12.474 -1.887 1.00 21.40 C ATOM 467 O THR A 26 5.405 -11.403 -1.291 1.00 74.35 O ATOM 468 CB THR A 26 7.784 -13.482 -1.529 1.00 40.50 C ATOM 469 OG1 THR A 26 8.312 -12.393 -0.763 1.00 64.20 O ATOM 470 CG2 THR A 26 8.038 -13.237 -3.009 1.00 15.11 C ATOM 0 H THR A 26 6.502 -15.558 -2.063 1.00 21.34 H new ATOM 0 HA THR A 26 6.111 -13.629 -0.173 1.00 44.31 H new ATOM 0 HB THR A 26 8.284 -14.406 -1.239 1.00 40.50 H new ATOM 0 HG1 THR A 26 9.271 -12.300 -0.945 1.00 64.20 H new ATOM 0 HG21 THR A 26 9.109 -13.129 -3.181 1.00 15.11 H new ATOM 0 HG22 THR A 26 7.661 -14.080 -3.587 1.00 15.11 H new ATOM 0 HG23 THR A 26 7.526 -12.326 -3.320 1.00 15.11 H new ATOM 478 N LEU A 27 5.032 -12.689 -3.100 1.00 33.01 N ATOM 479 CA LEU A 27 4.294 -11.656 -3.818 1.00 52.31 C ATOM 480 C LEU A 27 3.035 -11.255 -3.055 1.00 61.52 C ATOM 481 O LEU A 27 2.633 -10.092 -3.069 1.00 34.11 O ATOM 482 CB LEU A 27 3.921 -12.147 -5.218 1.00 30.21 C ATOM 483 CG LEU A 27 4.968 -13.004 -5.929 1.00 64.34 C ATOM 484 CD1 LEU A 27 4.535 -13.301 -7.357 1.00 3.13 C ATOM 485 CD2 LEU A 27 6.324 -12.312 -5.914 1.00 74.32 C ATOM 0 H LEU A 27 5.127 -13.569 -3.607 1.00 33.01 H new ATOM 0 HA LEU A 27 4.937 -10.780 -3.906 1.00 52.31 H new ATOM 0 HB2 LEU A 27 2.998 -12.722 -5.146 1.00 30.21 H new ATOM 0 HB3 LEU A 27 3.707 -11.278 -5.841 1.00 30.21 H new ATOM 0 HG LEU A 27 5.059 -13.950 -5.394 1.00 64.34 H new ATOM 0 HD11 LEU A 27 5.293 -13.912 -7.847 1.00 3.13 H new ATOM 0 HD12 LEU A 27 3.587 -13.839 -7.345 1.00 3.13 H new ATOM 0 HD13 LEU A 27 4.415 -12.365 -7.903 1.00 3.13 H new ATOM 0 HD21 LEU A 27 7.057 -12.937 -6.425 1.00 74.32 H new ATOM 0 HD22 LEU A 27 6.248 -11.351 -6.424 1.00 74.32 H new ATOM 0 HD23 LEU A 27 6.639 -12.152 -4.883 1.00 74.32 H new ATOM 497 N ARG A 28 2.419 -12.227 -2.389 1.00 43.40 N ATOM 498 CA ARG A 28 1.207 -11.975 -1.619 1.00 71.33 C ATOM 499 C ARG A 28 1.384 -10.767 -0.705 1.00 2.40 C ATOM 500 O ARG A 28 0.500 -10.441 0.087 1.00 2.53 O ATOM 501 CB ARG A 28 0.840 -13.207 -0.789 1.00 40.30 C ATOM 502 CG ARG A 28 1.661 -13.351 0.482 1.00 14.22 C ATOM 503 CD ARG A 28 1.611 -14.773 1.019 1.00 14.44 C ATOM 504 NE ARG A 28 0.844 -14.862 2.259 1.00 23.54 N ATOM 505 CZ ARG A 28 0.628 -16.001 2.909 1.00 51.04 C ATOM 506 NH1 ARG A 28 1.118 -17.140 2.438 1.00 13.32 N ATOM 507 NH2 ARG A 28 -0.080 -16.002 4.031 1.00 5.22 N ATOM 0 H ARG A 28 2.739 -13.195 -2.367 1.00 43.40 H new ATOM 0 HA ARG A 28 0.399 -11.763 -2.319 1.00 71.33 H new ATOM 0 HB2 ARG A 28 -0.216 -13.156 -0.525 1.00 40.30 H new ATOM 0 HB3 ARG A 28 0.973 -14.099 -1.400 1.00 40.30 H new ATOM 0 HG2 ARG A 28 2.696 -13.073 0.282 1.00 14.22 H new ATOM 0 HG3 ARG A 28 1.286 -12.662 1.239 1.00 14.22 H new ATOM 0 HD2 ARG A 28 1.167 -15.428 0.270 1.00 14.44 H new ATOM 0 HD3 ARG A 28 2.626 -15.131 1.194 1.00 14.44 H new ATOM 0 HE ARG A 28 0.453 -14.004 2.647 1.00 23.54 H new ATOM 0 HH11 ARG A 28 1.662 -17.143 1.575 1.00 13.32 H new ATOM 0 HH12 ARG A 28 0.951 -18.013 2.939 1.00 13.32 H new ATOM 0 HH21 ARG A 28 -0.459 -15.128 4.396 1.00 5.22 H new ATOM 0 HH22 ARG A 28 -0.245 -16.877 4.529 1.00 5.22 H new TER 521 ARG A 28