USER MOD reduce.3.24.130724 H: found=0, std=0, add=283, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 281 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 THR N :NH3+ -165:sc= -0.0421 (180deg=-0.314) USER MOD Single : A 1 THR OG1 : rot 180:sc= 0 USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 6 HIS : no HD1:sc= -0.0252 X(o=-0.025,f=-0.42) USER MOD Single : A 8 CYS SG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 52:sc= 0.355 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 3.209 24.898 5.673 1.00 0.00 N ATOM 2 CA THR A 1 3.520 23.669 6.384 1.00 0.00 C ATOM 3 C THR A 1 2.261 23.098 7.038 1.00 0.00 C ATOM 4 O THR A 1 2.103 21.882 7.133 1.00 0.00 O ATOM 5 CB THR A 1 4.640 23.971 7.381 1.00 0.00 C ATOM 6 OG1 THR A 1 5.775 24.235 6.561 1.00 0.00 O ATOM 7 CG2 THR A 1 5.047 22.740 8.195 1.00 0.00 C ATOM 0 H1 THR A 1 3.993 25.137 5.033 1.00 0.00 H new ATOM 0 H2 THR A 1 2.338 24.768 5.119 1.00 0.00 H new ATOM 0 H3 THR A 1 3.073 25.670 6.357 1.00 0.00 H new ATOM 0 HA THR A 1 3.872 22.895 5.702 1.00 0.00 H new ATOM 0 HB THR A 1 4.319 24.764 8.057 1.00 0.00 H new ATOM 0 HG1 THR A 1 6.547 24.442 7.128 1.00 0.00 H new ATOM 0 HG21 THR A 1 5.845 23.009 8.887 1.00 0.00 H new ATOM 0 HG22 THR A 1 4.187 22.375 8.757 1.00 0.00 H new ATOM 0 HG23 THR A 1 5.399 21.959 7.522 1.00 0.00 H new ATOM 15 N SER A 2 1.396 24.003 7.472 1.00 0.00 N ATOM 16 CA SER A 2 0.155 23.605 8.115 1.00 0.00 C ATOM 17 C SER A 2 -0.898 23.270 7.057 1.00 0.00 C ATOM 18 O SER A 2 -1.955 22.729 7.378 1.00 0.00 O ATOM 19 CB SER A 2 -0.360 24.704 9.047 1.00 0.00 C ATOM 20 OG SER A 2 0.418 24.801 10.238 1.00 0.00 O ATOM 0 H SER A 2 1.530 25.011 7.391 1.00 0.00 H new ATOM 0 HA SER A 2 0.351 22.718 8.717 1.00 0.00 H new ATOM 0 HB2 SER A 2 -0.343 25.660 8.524 1.00 0.00 H new ATOM 0 HB3 SER A 2 -1.399 24.501 9.308 1.00 0.00 H new ATOM 0 HG SER A 2 0.059 25.514 10.806 1.00 0.00 H new ATOM 26 N SER A 3 -0.573 23.605 5.817 1.00 0.00 N ATOM 27 CA SER A 3 -1.477 23.346 4.710 1.00 0.00 C ATOM 28 C SER A 3 -1.036 22.090 3.956 1.00 0.00 C ATOM 29 O SER A 3 -1.209 21.998 2.742 1.00 0.00 O ATOM 30 CB SER A 3 -1.539 24.543 3.759 1.00 0.00 C ATOM 31 OG SER A 3 -2.706 25.333 3.969 1.00 0.00 O ATOM 0 H SER A 3 0.305 24.054 5.555 1.00 0.00 H new ATOM 0 HA SER A 3 -2.476 23.186 5.115 1.00 0.00 H new ATOM 0 HB2 SER A 3 -0.653 25.162 3.898 1.00 0.00 H new ATOM 0 HB3 SER A 3 -1.522 24.188 2.728 1.00 0.00 H new ATOM 0 HG SER A 3 -2.707 26.088 3.344 1.00 0.00 H new ATOM 37 N ILE A 4 -0.476 21.154 4.708 1.00 0.00 N ATOM 38 CA ILE A 4 -0.008 19.908 4.126 1.00 0.00 C ATOM 39 C ILE A 4 -0.464 18.738 5.001 1.00 0.00 C ATOM 40 O ILE A 4 -1.252 17.901 4.563 1.00 0.00 O ATOM 41 CB ILE A 4 1.504 19.955 3.901 1.00 0.00 C ATOM 42 CG1 ILE A 4 1.882 21.086 2.943 1.00 0.00 C ATOM 43 CG2 ILE A 4 2.030 18.599 3.424 1.00 0.00 C ATOM 44 CD1 ILE A 4 3.323 21.543 3.174 1.00 0.00 C ATOM 0 H ILE A 4 -0.336 21.234 5.715 1.00 0.00 H new ATOM 0 HA ILE A 4 -0.448 19.760 3.140 1.00 0.00 H new ATOM 0 HB ILE A 4 1.984 20.169 4.856 1.00 0.00 H new ATOM 0 HG12 ILE A 4 1.764 20.749 1.913 1.00 0.00 H new ATOM 0 HG13 ILE A 4 1.203 21.927 3.083 1.00 0.00 H new ATOM 0 HG21 ILE A 4 3.108 18.660 3.272 1.00 0.00 H new ATOM 0 HG22 ILE A 4 1.812 17.840 4.175 1.00 0.00 H new ATOM 0 HG23 ILE A 4 1.545 18.331 2.485 1.00 0.00 H new ATOM 0 HD11 ILE A 4 3.565 22.348 2.480 1.00 0.00 H new ATOM 0 HD12 ILE A 4 3.431 21.902 4.197 1.00 0.00 H new ATOM 0 HD13 ILE A 4 4.001 20.706 3.010 1.00 0.00 H new ATOM 56 N VAL A 5 0.051 18.719 6.222 1.00 0.00 N ATOM 57 CA VAL A 5 -0.294 17.666 7.162 1.00 0.00 C ATOM 58 C VAL A 5 -1.814 17.492 7.192 1.00 0.00 C ATOM 59 O VAL A 5 -2.312 16.418 7.525 1.00 0.00 O ATOM 60 CB VAL A 5 0.299 17.979 8.538 1.00 0.00 C ATOM 61 CG1 VAL A 5 -0.099 16.914 9.561 1.00 0.00 C ATOM 62 CG2 VAL A 5 1.820 18.123 8.459 1.00 0.00 C ATOM 0 H VAL A 5 0.704 19.415 6.582 1.00 0.00 H new ATOM 0 HA VAL A 5 0.135 16.716 6.845 1.00 0.00 H new ATOM 0 HB VAL A 5 -0.111 18.933 8.871 1.00 0.00 H new ATOM 0 HG11 VAL A 5 0.335 17.160 10.530 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -1.185 16.881 9.648 1.00 0.00 H new ATOM 0 HG13 VAL A 5 0.269 15.941 9.235 1.00 0.00 H new ATOM 0 HG21 VAL A 5 2.216 18.345 9.450 1.00 0.00 H new ATOM 0 HG22 VAL A 5 2.255 17.193 8.094 1.00 0.00 H new ATOM 0 HG23 VAL A 5 2.074 18.934 7.776 1.00 0.00 H new ATOM 72 N HIS A 6 -2.507 18.564 6.839 1.00 0.00 N ATOM 73 CA HIS A 6 -3.960 18.543 6.821 1.00 0.00 C ATOM 74 C HIS A 6 -4.446 17.581 5.735 1.00 0.00 C ATOM 75 O HIS A 6 -5.128 16.601 6.030 1.00 0.00 O ATOM 76 CB HIS A 6 -4.522 19.957 6.655 1.00 0.00 C ATOM 77 CG HIS A 6 -5.924 20.127 7.189 1.00 0.00 C ATOM 78 ND1 HIS A 6 -6.892 19.144 7.080 1.00 0.00 N ATOM 79 CD2 HIS A 6 -6.510 21.174 7.837 1.00 0.00 C ATOM 80 CE1 HIS A 6 -8.007 19.591 7.639 1.00 0.00 C ATOM 81 NE2 HIS A 6 -7.768 20.849 8.108 1.00 0.00 N ATOM 0 H HIS A 6 -2.090 19.453 6.563 1.00 0.00 H new ATOM 0 HA HIS A 6 -4.334 18.176 7.777 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -3.863 20.661 7.163 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -4.513 20.219 5.597 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -6.031 22.109 8.087 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -8.941 19.054 7.711 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -8.445 21.442 8.588 1.00 0.00 H new ATOM 90 N LEU A 7 -4.076 17.895 4.502 1.00 0.00 N ATOM 91 CA LEU A 7 -4.466 17.070 3.371 1.00 0.00 C ATOM 92 C LEU A 7 -3.733 15.729 3.447 1.00 0.00 C ATOM 93 O LEU A 7 -4.302 14.688 3.124 1.00 0.00 O ATOM 94 CB LEU A 7 -4.240 17.822 2.058 1.00 0.00 C ATOM 95 CG LEU A 7 -2.781 18.014 1.637 1.00 0.00 C ATOM 96 CD1 LEU A 7 -2.520 17.393 0.264 1.00 0.00 C ATOM 97 CD2 LEU A 7 -2.388 19.492 1.682 1.00 0.00 C ATOM 0 H LEU A 7 -3.510 18.709 4.261 1.00 0.00 H new ATOM 0 HA LEU A 7 -5.533 16.852 3.407 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -4.760 17.288 1.262 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -4.706 18.804 2.140 1.00 0.00 H new ATOM 0 HG LEU A 7 -2.147 17.490 2.352 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -1.476 17.544 -0.011 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -2.735 16.325 0.301 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -3.163 17.867 -0.478 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -1.347 19.601 1.378 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -3.025 20.059 1.003 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -2.512 19.871 2.697 1.00 0.00 H new ATOM 109 N CYS A 8 -2.481 15.799 3.875 1.00 0.00 N ATOM 110 CA CYS A 8 -1.664 14.603 3.997 1.00 0.00 C ATOM 111 C CYS A 8 -2.384 13.622 4.924 1.00 0.00 C ATOM 112 O CYS A 8 -2.716 12.509 4.520 1.00 0.00 O ATOM 113 CB CYS A 8 -0.254 14.929 4.494 1.00 0.00 C ATOM 114 SG CYS A 8 0.893 15.067 3.076 1.00 0.00 S ATOM 0 H CYS A 8 -2.012 16.665 4.142 1.00 0.00 H new ATOM 0 HA CYS A 8 -1.535 14.146 3.016 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -0.265 15.863 5.056 1.00 0.00 H new ATOM 0 HB3 CYS A 8 0.089 14.151 5.176 1.00 0.00 H new ATOM 0 HG CYS A 8 2.087 15.346 3.509 1.00 0.00 H new ATOM 120 N ALA A 9 -2.605 14.071 6.151 1.00 0.00 N ATOM 121 CA ALA A 9 -3.279 13.247 7.140 1.00 0.00 C ATOM 122 C ALA A 9 -4.441 12.508 6.474 1.00 0.00 C ATOM 123 O ALA A 9 -4.452 11.279 6.423 1.00 0.00 O ATOM 124 CB ALA A 9 -3.738 14.122 8.308 1.00 0.00 C ATOM 0 H ALA A 9 -2.329 14.995 6.483 1.00 0.00 H new ATOM 0 HA ALA A 9 -2.598 12.497 7.543 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -4.244 13.503 9.049 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -2.873 14.602 8.765 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -4.425 14.885 7.943 1.00 0.00 H new ATOM 130 N ILE A 10 -5.391 13.288 5.979 1.00 0.00 N ATOM 131 CA ILE A 10 -6.555 12.722 5.318 1.00 0.00 C ATOM 132 C ILE A 10 -6.103 11.640 4.336 1.00 0.00 C ATOM 133 O ILE A 10 -6.637 10.532 4.338 1.00 0.00 O ATOM 134 CB ILE A 10 -7.394 13.827 4.673 1.00 0.00 C ATOM 135 CG1 ILE A 10 -7.966 14.771 5.732 1.00 0.00 C ATOM 136 CG2 ILE A 10 -8.488 13.235 3.782 1.00 0.00 C ATOM 137 CD1 ILE A 10 -8.300 16.136 5.127 1.00 0.00 C ATOM 0 H ILE A 10 -5.378 14.307 6.022 1.00 0.00 H new ATOM 0 HA ILE A 10 -7.209 12.240 6.044 1.00 0.00 H new ATOM 0 HB ILE A 10 -6.742 14.420 4.032 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -8.864 14.333 6.168 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -7.246 14.894 6.541 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -9.070 14.041 3.336 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -8.031 12.638 2.993 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -9.144 12.604 4.382 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -8.705 16.788 5.901 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -7.395 16.582 4.714 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -9.038 16.012 4.335 1.00 0.00 H new ATOM 149 N SER A 11 -5.122 11.999 3.520 1.00 0.00 N ATOM 150 CA SER A 11 -4.592 11.072 2.534 1.00 0.00 C ATOM 151 C SER A 11 -3.459 10.247 3.148 1.00 0.00 C ATOM 152 O SER A 11 -2.414 10.062 2.526 1.00 0.00 O ATOM 153 CB SER A 11 -4.096 11.814 1.292 1.00 0.00 C ATOM 154 OG SER A 11 -4.387 11.101 0.093 1.00 0.00 O ATOM 0 H SER A 11 -4.681 12.919 3.522 1.00 0.00 H new ATOM 0 HA SER A 11 -5.395 10.402 2.227 1.00 0.00 H new ATOM 0 HB2 SER A 11 -4.559 12.800 1.249 1.00 0.00 H new ATOM 0 HB3 SER A 11 -3.020 11.971 1.369 1.00 0.00 H new ATOM 0 HG SER A 11 -4.056 11.608 -0.678 1.00 0.00 H new ATOM 160 N LEU A 12 -3.704 9.774 4.361 1.00 0.00 N ATOM 161 CA LEU A 12 -2.717 8.973 5.065 1.00 0.00 C ATOM 162 C LEU A 12 -3.345 7.638 5.471 1.00 0.00 C ATOM 163 O LEU A 12 -2.863 6.577 5.079 1.00 0.00 O ATOM 164 CB LEU A 12 -2.130 9.758 6.240 1.00 0.00 C ATOM 165 CG LEU A 12 -0.681 9.432 6.607 1.00 0.00 C ATOM 166 CD1 LEU A 12 -0.001 10.629 7.274 1.00 0.00 C ATOM 167 CD2 LEU A 12 -0.606 8.174 7.475 1.00 0.00 C ATOM 0 H LEU A 12 -4.572 9.930 4.874 1.00 0.00 H new ATOM 0 HA LEU A 12 -1.875 8.744 4.411 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.195 10.821 6.010 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.754 9.583 7.116 1.00 0.00 H new ATOM 0 HG LEU A 12 -0.135 9.223 5.687 1.00 0.00 H new ATOM 0 HD11 LEU A 12 1.028 10.370 7.524 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.005 11.478 6.590 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.540 10.894 8.184 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.435 7.964 7.722 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.172 8.331 8.393 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -1.027 7.330 6.929 1.00 0.00 H new ATOM 179 N ILE A 13 -4.412 7.735 6.251 1.00 0.00 N ATOM 180 CA ILE A 13 -5.111 6.548 6.713 1.00 0.00 C ATOM 181 C ILE A 13 -5.365 5.616 5.527 1.00 0.00 C ATOM 182 O ILE A 13 -4.808 4.522 5.462 1.00 0.00 O ATOM 183 CB ILE A 13 -6.380 6.936 7.474 1.00 0.00 C ATOM 184 CG1 ILE A 13 -6.048 7.803 8.690 1.00 0.00 C ATOM 185 CG2 ILE A 13 -7.190 5.696 7.858 1.00 0.00 C ATOM 186 CD1 ILE A 13 -7.147 8.836 8.944 1.00 0.00 C ATOM 0 H ILE A 13 -4.809 8.617 6.574 1.00 0.00 H new ATOM 0 HA ILE A 13 -4.496 5.997 7.425 1.00 0.00 H new ATOM 0 HB ILE A 13 -7.004 7.536 6.812 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -5.928 7.171 9.570 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -5.097 8.311 8.530 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -8.087 6.000 8.398 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -7.475 5.154 6.956 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -6.586 5.049 8.494 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -6.886 9.439 9.814 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -7.248 9.482 8.072 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -8.092 8.324 9.128 1.00 0.00 H new ATOM 198 N ARG A 14 -6.208 6.085 4.618 1.00 0.00 N ATOM 199 CA ARG A 14 -6.543 5.307 3.437 1.00 0.00 C ATOM 200 C ARG A 14 -5.291 4.630 2.874 1.00 0.00 C ATOM 201 O ARG A 14 -5.362 3.515 2.360 1.00 0.00 O ATOM 202 CB ARG A 14 -7.167 6.190 2.354 1.00 0.00 C ATOM 203 CG ARG A 14 -8.663 6.390 2.605 1.00 0.00 C ATOM 204 CD ARG A 14 -8.941 7.778 3.186 1.00 0.00 C ATOM 205 NE ARG A 14 -10.094 7.718 4.112 1.00 0.00 N ATOM 206 CZ ARG A 14 -11.373 7.817 3.725 1.00 0.00 C ATOM 207 NH1 ARG A 14 -11.670 7.983 2.429 1.00 0.00 N ATOM 208 NH2 ARG A 14 -12.355 7.751 4.634 1.00 0.00 N ATOM 0 H ARG A 14 -6.669 6.993 4.676 1.00 0.00 H new ATOM 0 HA ARG A 14 -7.268 4.549 3.734 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -6.665 7.157 2.335 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -7.016 5.733 1.376 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -9.212 6.266 1.671 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -9.026 5.625 3.292 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -8.060 8.144 3.713 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -9.147 8.484 2.381 1.00 0.00 H new ATOM 0 HE ARG A 14 -9.903 7.594 5.106 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -10.922 8.034 1.737 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -12.644 8.058 2.135 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -12.129 7.625 5.621 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -13.329 7.826 4.339 1.00 0.00 H new ATOM 222 N TYR A 15 -4.174 5.333 2.991 1.00 0.00 N ATOM 223 CA TYR A 15 -2.909 4.814 2.500 1.00 0.00 C ATOM 224 C TYR A 15 -1.954 4.512 3.657 1.00 0.00 C ATOM 225 O TYR A 15 -0.767 4.826 3.585 1.00 0.00 O ATOM 226 CB TYR A 15 -2.306 5.922 1.633 1.00 0.00 C ATOM 227 CG TYR A 15 -3.005 6.106 0.285 1.00 0.00 C ATOM 228 CD1 TYR A 15 -2.854 5.157 -0.706 1.00 0.00 C ATOM 229 CD2 TYR A 15 -3.786 7.221 0.059 1.00 0.00 C ATOM 230 CE1 TYR A 15 -3.511 5.330 -1.976 1.00 0.00 C ATOM 231 CE2 TYR A 15 -4.444 7.394 -1.210 1.00 0.00 C ATOM 232 CZ TYR A 15 -4.274 6.440 -2.165 1.00 0.00 C ATOM 233 OH TYR A 15 -4.895 6.604 -3.364 1.00 0.00 O ATOM 0 H TYR A 15 -4.119 6.257 3.419 1.00 0.00 H new ATOM 0 HA TYR A 15 -3.063 3.888 1.947 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -2.346 6.862 2.183 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -1.253 5.700 1.458 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -2.243 4.284 -0.529 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -3.904 7.964 0.834 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -3.400 4.595 -2.760 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -5.059 8.262 -1.399 1.00 0.00 H new ATOM 0 HH TYR A 15 -5.406 7.440 -3.356 1.00 0.00 H new ATOM 243 N TRP A 16 -2.509 3.907 4.697 1.00 0.00 N ATOM 244 CA TRP A 16 -1.722 3.559 5.868 1.00 0.00 C ATOM 245 C TRP A 16 -1.125 2.169 5.640 1.00 0.00 C ATOM 246 O TRP A 16 0.012 1.906 6.031 1.00 0.00 O ATOM 247 CB TRP A 16 -2.566 3.646 7.141 1.00 0.00 C ATOM 248 CG TRP A 16 -3.336 2.365 7.466 1.00 0.00 C ATOM 249 CD1 TRP A 16 -4.461 1.911 6.897 1.00 0.00 C ATOM 250 CD2 TRP A 16 -2.990 1.384 8.467 1.00 0.00 C ATOM 251 NE1 TRP A 16 -4.863 0.715 7.454 1.00 0.00 N ATOM 252 CE2 TRP A 16 -3.940 0.384 8.440 1.00 0.00 C ATOM 253 CE3 TRP A 16 -1.909 1.343 9.365 1.00 0.00 C ATOM 254 CZ2 TRP A 16 -3.906 -0.730 9.288 1.00 0.00 C ATOM 255 CZ3 TRP A 16 -1.889 0.224 10.206 1.00 0.00 C ATOM 256 CH2 TRP A 16 -2.838 -0.791 10.191 1.00 0.00 C ATOM 0 H TRP A 16 -3.494 3.649 4.753 1.00 0.00 H new ATOM 0 HA TRP A 16 -0.907 4.269 6.010 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -1.915 3.889 7.981 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -3.275 4.468 7.039 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -4.987 2.418 6.102 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -5.686 0.173 7.191 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -1.154 2.114 9.403 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -4.662 -1.500 9.248 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -1.079 0.144 10.916 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -2.752 -1.624 10.873 1.00 0.00 H new ATOM 267 N SER A 17 -1.918 1.315 5.009 1.00 0.00 N ATOM 268 CA SER A 17 -1.482 -0.042 4.725 1.00 0.00 C ATOM 269 C SER A 17 -0.383 -0.026 3.661 1.00 0.00 C ATOM 270 O SER A 17 -0.547 -0.599 2.585 1.00 0.00 O ATOM 271 CB SER A 17 -2.653 -0.912 4.265 1.00 0.00 C ATOM 272 OG SER A 17 -2.349 -2.302 4.344 1.00 0.00 O ATOM 0 H SER A 17 -2.860 1.537 4.686 1.00 0.00 H new ATOM 0 HA SER A 17 -1.084 -0.473 5.644 1.00 0.00 H new ATOM 0 HB2 SER A 17 -3.528 -0.697 4.879 1.00 0.00 H new ATOM 0 HB3 SER A 17 -2.914 -0.656 3.238 1.00 0.00 H new ATOM 0 HG SER A 17 -3.122 -2.824 4.043 1.00 0.00 H new ATOM 278 N ILE A 18 0.714 0.637 3.998 1.00 0.00 N ATOM 279 CA ILE A 18 1.840 0.735 3.085 1.00 0.00 C ATOM 280 C ILE A 18 3.144 0.714 3.886 1.00 0.00 C ATOM 281 O ILE A 18 4.073 -0.016 3.546 1.00 0.00 O ATOM 282 CB ILE A 18 1.693 1.961 2.182 1.00 0.00 C ATOM 283 CG1 ILE A 18 2.207 1.668 0.771 1.00 0.00 C ATOM 284 CG2 ILE A 18 2.377 3.182 2.800 1.00 0.00 C ATOM 285 CD1 ILE A 18 1.123 1.005 -0.080 1.00 0.00 C ATOM 0 H ILE A 18 0.847 1.112 4.891 1.00 0.00 H new ATOM 0 HA ILE A 18 1.863 -0.124 2.415 1.00 0.00 H new ATOM 0 HB ILE A 18 0.632 2.196 2.095 1.00 0.00 H new ATOM 0 HG12 ILE A 18 2.530 2.595 0.298 1.00 0.00 H new ATOM 0 HG13 ILE A 18 3.080 1.018 0.826 1.00 0.00 H new ATOM 0 HG21 ILE A 18 2.258 4.040 2.138 1.00 0.00 H new ATOM 0 HG22 ILE A 18 1.923 3.403 3.766 1.00 0.00 H new ATOM 0 HG23 ILE A 18 3.438 2.974 2.937 1.00 0.00 H new ATOM 0 HD11 ILE A 18 1.514 0.807 -1.078 1.00 0.00 H new ATOM 0 HD12 ILE A 18 0.820 0.066 0.384 1.00 0.00 H new ATOM 0 HD13 ILE A 18 0.261 1.668 -0.153 1.00 0.00 H new ATOM 297 N THR A 19 3.170 1.524 4.934 1.00 0.00 N ATOM 298 CA THR A 19 4.344 1.607 5.786 1.00 0.00 C ATOM 299 C THR A 19 4.926 0.213 6.030 1.00 0.00 C ATOM 300 O THR A 19 6.142 0.030 5.995 1.00 0.00 O ATOM 301 CB THR A 19 3.945 2.332 7.072 1.00 0.00 C ATOM 302 OG1 THR A 19 5.186 2.735 7.644 1.00 0.00 O ATOM 303 CG2 THR A 19 3.344 1.387 8.115 1.00 0.00 C ATOM 0 H THR A 19 2.397 2.129 5.212 1.00 0.00 H new ATOM 0 HA THR A 19 5.140 2.178 5.308 1.00 0.00 H new ATOM 0 HB THR A 19 3.227 3.118 6.837 1.00 0.00 H new ATOM 0 HG1 THR A 19 5.019 3.215 8.482 1.00 0.00 H new ATOM 0 HG21 THR A 19 3.078 1.953 9.008 1.00 0.00 H new ATOM 0 HG22 THR A 19 2.451 0.914 7.706 1.00 0.00 H new ATOM 0 HG23 THR A 19 4.074 0.620 8.375 1.00 0.00 H new ATOM 311 N GLN A 20 4.031 -0.733 6.271 1.00 0.00 N ATOM 312 CA GLN A 20 4.441 -2.105 6.521 1.00 0.00 C ATOM 313 C GLN A 20 5.539 -2.518 5.539 1.00 0.00 C ATOM 314 O GLN A 20 6.373 -3.364 5.856 1.00 0.00 O ATOM 315 CB GLN A 20 3.246 -3.057 6.440 1.00 0.00 C ATOM 316 CG GLN A 20 2.578 -3.215 7.807 1.00 0.00 C ATOM 317 CD GLN A 20 1.053 -3.195 7.678 1.00 0.00 C ATOM 318 OE1 GLN A 20 0.381 -4.205 7.802 1.00 0.00 O ATOM 319 NE2 GLN A 20 0.548 -1.992 7.424 1.00 0.00 N ATOM 0 H GLN A 20 3.023 -0.577 6.299 1.00 0.00 H new ATOM 0 HA GLN A 20 4.844 -2.165 7.532 1.00 0.00 H new ATOM 0 HB2 GLN A 20 2.522 -2.677 5.719 1.00 0.00 H new ATOM 0 HB3 GLN A 20 3.576 -4.031 6.078 1.00 0.00 H new ATOM 0 HG2 GLN A 20 2.896 -4.152 8.265 1.00 0.00 H new ATOM 0 HG3 GLN A 20 2.901 -2.411 8.469 1.00 0.00 H new ATOM 0 HE21 GLN A 20 1.168 -1.188 7.332 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -0.460 -1.873 7.321 1.00 0.00 H new ATOM 328 N ALA A 21 5.503 -1.901 4.367 1.00 0.00 N ATOM 329 CA ALA A 21 6.484 -2.194 3.337 1.00 0.00 C ATOM 330 C ALA A 21 7.661 -1.225 3.469 1.00 0.00 C ATOM 331 O ALA A 21 8.818 -1.643 3.466 1.00 0.00 O ATOM 332 CB ALA A 21 5.819 -2.119 1.961 1.00 0.00 C ATOM 0 H ALA A 21 4.809 -1.199 4.108 1.00 0.00 H new ATOM 0 HA ALA A 21 6.874 -3.205 3.456 1.00 0.00 H new ATOM 0 HB1 ALA A 21 6.556 -2.339 1.188 1.00 0.00 H new ATOM 0 HB2 ALA A 21 5.009 -2.847 1.908 1.00 0.00 H new ATOM 0 HB3 ALA A 21 5.418 -1.118 1.805 1.00 0.00 H new ATOM 338 N ILE A 22 7.325 0.052 3.581 1.00 0.00 N ATOM 339 CA ILE A 22 8.339 1.084 3.714 1.00 0.00 C ATOM 340 C ILE A 22 9.436 0.596 4.662 1.00 0.00 C ATOM 341 O ILE A 22 10.584 0.428 4.254 1.00 0.00 O ATOM 342 CB ILE A 22 7.703 2.408 4.139 1.00 0.00 C ATOM 343 CG1 ILE A 22 6.758 2.936 3.057 1.00 0.00 C ATOM 344 CG2 ILE A 22 8.773 3.435 4.516 1.00 0.00 C ATOM 345 CD1 ILE A 22 5.999 4.171 3.547 1.00 0.00 C ATOM 0 H ILE A 22 6.364 0.395 3.582 1.00 0.00 H new ATOM 0 HA ILE A 22 8.813 1.279 2.752 1.00 0.00 H new ATOM 0 HB ILE A 22 7.102 2.227 5.030 1.00 0.00 H new ATOM 0 HG12 ILE A 22 7.328 3.186 2.162 1.00 0.00 H new ATOM 0 HG13 ILE A 22 6.049 2.157 2.776 1.00 0.00 H new ATOM 0 HG21 ILE A 22 8.293 4.367 4.814 1.00 0.00 H new ATOM 0 HG22 ILE A 22 9.369 3.052 5.345 1.00 0.00 H new ATOM 0 HG23 ILE A 22 9.420 3.618 3.658 1.00 0.00 H new ATOM 0 HD11 ILE A 22 5.335 4.526 2.759 1.00 0.00 H new ATOM 0 HD12 ILE A 22 5.411 3.911 4.428 1.00 0.00 H new ATOM 0 HD13 ILE A 22 6.710 4.957 3.804 1.00 0.00 H new ATOM 357 N GLU A 23 9.043 0.381 5.909 1.00 0.00 N ATOM 358 CA GLU A 23 9.979 -0.085 6.918 1.00 0.00 C ATOM 359 C GLU A 23 10.938 -1.114 6.318 1.00 0.00 C ATOM 360 O GLU A 23 12.149 -0.899 6.292 1.00 0.00 O ATOM 361 CB GLU A 23 9.239 -0.663 8.126 1.00 0.00 C ATOM 362 CG GLU A 23 10.206 -0.942 9.279 1.00 0.00 C ATOM 363 CD GLU A 23 9.640 -2.004 10.224 1.00 0.00 C ATOM 364 OE1 GLU A 23 8.482 -1.820 10.656 1.00 0.00 O ATOM 365 OE2 GLU A 23 10.379 -2.975 10.494 1.00 0.00 O ATOM 0 H GLU A 23 8.090 0.521 6.243 1.00 0.00 H new ATOM 0 HA GLU A 23 10.563 0.767 7.265 1.00 0.00 H new ATOM 0 HB2 GLU A 23 8.469 0.035 8.453 1.00 0.00 H new ATOM 0 HB3 GLU A 23 8.733 -1.585 7.840 1.00 0.00 H new ATOM 0 HG2 GLU A 23 11.164 -1.277 8.882 1.00 0.00 H new ATOM 0 HG3 GLU A 23 10.394 -0.021 9.832 1.00 0.00 H new ATOM 372 N TYR A 24 10.361 -2.212 5.851 1.00 0.00 N ATOM 373 CA TYR A 24 11.150 -3.276 5.253 1.00 0.00 C ATOM 374 C TYR A 24 12.153 -2.713 4.244 1.00 0.00 C ATOM 375 O TYR A 24 13.298 -3.159 4.188 1.00 0.00 O ATOM 376 CB TYR A 24 10.155 -4.176 4.518 1.00 0.00 C ATOM 377 CG TYR A 24 9.866 -5.498 5.232 1.00 0.00 C ATOM 378 CD1 TYR A 24 10.700 -6.581 5.041 1.00 0.00 C ATOM 379 CD2 TYR A 24 8.773 -5.607 6.067 1.00 0.00 C ATOM 380 CE1 TYR A 24 10.428 -7.826 5.713 1.00 0.00 C ATOM 381 CE2 TYR A 24 8.501 -6.851 6.739 1.00 0.00 C ATOM 382 CZ TYR A 24 9.342 -7.899 6.529 1.00 0.00 C ATOM 383 OH TYR A 24 9.086 -9.074 7.164 1.00 0.00 O ATOM 0 H TYR A 24 9.357 -2.388 5.875 1.00 0.00 H new ATOM 0 HA TYR A 24 11.714 -3.812 6.016 1.00 0.00 H new ATOM 0 HB2 TYR A 24 9.219 -3.634 4.387 1.00 0.00 H new ATOM 0 HB3 TYR A 24 10.542 -4.390 3.522 1.00 0.00 H new ATOM 0 HD1 TYR A 24 11.556 -6.495 4.388 1.00 0.00 H new ATOM 0 HD2 TYR A 24 8.121 -4.759 6.217 1.00 0.00 H new ATOM 0 HE1 TYR A 24 11.072 -8.682 5.572 1.00 0.00 H new ATOM 0 HE2 TYR A 24 7.649 -6.950 7.395 1.00 0.00 H new ATOM 0 HH TYR A 24 8.280 -8.980 7.714 1.00 0.00 H new ATOM 393 N ASN A 25 11.686 -1.744 3.471 1.00 0.00 N ATOM 394 CA ASN A 25 12.528 -1.116 2.467 1.00 0.00 C ATOM 395 C ASN A 25 12.994 0.249 2.979 1.00 0.00 C ATOM 396 O ASN A 25 13.220 1.166 2.192 1.00 0.00 O ATOM 397 CB ASN A 25 11.758 -0.895 1.163 1.00 0.00 C ATOM 398 CG ASN A 25 12.448 -1.598 -0.007 1.00 0.00 C ATOM 399 OD1 ASN A 25 13.377 -1.088 -0.611 1.00 0.00 O ATOM 400 ND2 ASN A 25 11.944 -2.795 -0.293 1.00 0.00 N ATOM 0 H ASN A 25 10.735 -1.378 3.520 1.00 0.00 H new ATOM 0 HA ASN A 25 13.376 -1.774 2.278 1.00 0.00 H new ATOM 0 HB2 ASN A 25 10.741 -1.271 1.269 1.00 0.00 H new ATOM 0 HB3 ASN A 25 11.683 0.173 0.957 1.00 0.00 H new ATOM 0 HD21 ASN A 25 12.336 -3.344 -1.058 1.00 0.00 H new ATOM 0 HD22 ASN A 25 11.165 -3.164 0.253 1.00 0.00 H new ATOM 407 N LEU A 26 13.123 0.339 4.294 1.00 0.00 N ATOM 408 CA LEU A 26 13.558 1.576 4.920 1.00 0.00 C ATOM 409 C LEU A 26 14.995 1.412 5.420 1.00 0.00 C ATOM 410 O LEU A 26 15.888 2.148 5.004 1.00 0.00 O ATOM 411 CB LEU A 26 12.572 2.000 6.011 1.00 0.00 C ATOM 412 CG LEU A 26 12.721 3.432 6.530 1.00 0.00 C ATOM 413 CD1 LEU A 26 11.555 3.807 7.446 1.00 0.00 C ATOM 414 CD2 LEU A 26 14.075 3.628 7.216 1.00 0.00 C ATOM 0 H LEU A 26 12.934 -0.424 4.944 1.00 0.00 H new ATOM 0 HA LEU A 26 13.564 2.389 4.194 1.00 0.00 H new ATOM 0 HB2 LEU A 26 11.560 1.878 5.626 1.00 0.00 H new ATOM 0 HB3 LEU A 26 12.677 1.316 6.854 1.00 0.00 H new ATOM 0 HG LEU A 26 12.691 4.110 5.677 1.00 0.00 H new ATOM 0 HD11 LEU A 26 11.685 4.829 7.801 1.00 0.00 H new ATOM 0 HD12 LEU A 26 10.619 3.732 6.893 1.00 0.00 H new ATOM 0 HD13 LEU A 26 11.529 3.128 8.298 1.00 0.00 H new ATOM 0 HD21 LEU A 26 14.156 4.654 7.576 1.00 0.00 H new ATOM 0 HD22 LEU A 26 14.159 2.941 8.058 1.00 0.00 H new ATOM 0 HD23 LEU A 26 14.876 3.429 6.504 1.00 0.00 H new ATOM 426 N LYS A 27 15.172 0.443 6.305 1.00 0.00 N ATOM 427 CA LYS A 27 16.485 0.173 6.866 1.00 0.00 C ATOM 428 C LYS A 27 16.711 -1.339 6.921 1.00 0.00 C ATOM 429 O LYS A 27 16.303 -1.998 7.876 1.00 0.00 O ATOM 430 CB LYS A 27 16.642 0.867 8.221 1.00 0.00 C ATOM 431 CG LYS A 27 18.030 0.609 8.812 1.00 0.00 C ATOM 432 CD LYS A 27 18.593 1.875 9.460 1.00 0.00 C ATOM 433 CE LYS A 27 19.726 2.464 8.618 1.00 0.00 C ATOM 434 NZ LYS A 27 20.855 2.876 9.483 1.00 0.00 N ATOM 0 H LYS A 27 14.428 -0.165 6.648 1.00 0.00 H new ATOM 0 HA LYS A 27 17.264 0.589 6.228 1.00 0.00 H new ATOM 0 HB2 LYS A 27 16.486 1.939 8.104 1.00 0.00 H new ATOM 0 HB3 LYS A 27 15.877 0.507 8.909 1.00 0.00 H new ATOM 0 HG2 LYS A 27 17.971 -0.188 9.553 1.00 0.00 H new ATOM 0 HG3 LYS A 27 18.705 0.266 8.028 1.00 0.00 H new ATOM 0 HD2 LYS A 27 17.799 2.613 9.575 1.00 0.00 H new ATOM 0 HD3 LYS A 27 18.960 1.644 10.460 1.00 0.00 H new ATOM 0 HE2 LYS A 27 20.067 1.727 7.891 1.00 0.00 H new ATOM 0 HE3 LYS A 27 19.360 3.322 8.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 21.615 3.274 8.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 20.529 3.595 10.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 21.215 2.049 10.002 1.00 0.00 H new ATOM 448 N ARG A 28 17.359 -1.846 5.882 1.00 0.00 N ATOM 449 CA ARG A 28 17.644 -3.269 5.800 1.00 0.00 C ATOM 450 C ARG A 28 18.442 -3.577 4.531 1.00 0.00 C ATOM 451 O ARG A 28 17.879 -4.023 3.532 1.00 0.00 O ATOM 452 CB ARG A 28 16.353 -4.089 5.794 1.00 0.00 C ATOM 453 CG ARG A 28 16.632 -5.552 6.146 1.00 0.00 C ATOM 454 CD ARG A 28 15.985 -5.927 7.481 1.00 0.00 C ATOM 455 NE ARG A 28 14.713 -6.646 7.243 1.00 0.00 N ATOM 456 CZ ARG A 28 14.626 -7.842 6.646 1.00 0.00 C ATOM 457 NH1 ARG A 28 15.737 -8.462 6.223 1.00 0.00 N ATOM 458 NH2 ARG A 28 13.430 -8.419 6.472 1.00 0.00 N ATOM 0 H ARG A 28 17.695 -1.297 5.090 1.00 0.00 H new ATOM 0 HA ARG A 28 18.230 -3.542 6.678 1.00 0.00 H new ATOM 0 HB2 ARG A 28 15.647 -3.667 6.509 1.00 0.00 H new ATOM 0 HB3 ARG A 28 15.885 -4.030 4.811 1.00 0.00 H new ATOM 0 HG2 ARG A 28 16.248 -6.199 5.357 1.00 0.00 H new ATOM 0 HG3 ARG A 28 17.708 -5.718 6.200 1.00 0.00 H new ATOM 0 HD2 ARG A 28 16.664 -6.553 8.060 1.00 0.00 H new ATOM 0 HD3 ARG A 28 15.800 -5.029 8.070 1.00 0.00 H new ATOM 0 HE ARG A 28 13.848 -6.203 7.553 1.00 0.00 H new ATOM 0 HH11 ARG A 28 16.648 -8.023 6.356 1.00 0.00 H new ATOM 0 HH12 ARG A 28 15.671 -9.373 5.768 1.00 0.00 H new ATOM 0 HH21 ARG A 28 12.585 -7.948 6.794 1.00 0.00 H new ATOM 0 HH22 ARG A 28 13.364 -9.330 6.017 1.00 0.00 H new ATOM 472 N THR A 29 19.741 -3.328 4.612 1.00 0.00 N ATOM 473 CA THR A 29 20.622 -3.574 3.483 1.00 0.00 C ATOM 474 C THR A 29 20.186 -4.833 2.731 1.00 0.00 C ATOM 475 O THR A 29 20.525 -5.947 3.128 1.00 0.00 O ATOM 476 CB THR A 29 22.057 -3.647 4.010 1.00 0.00 C ATOM 477 OG1 THR A 29 21.975 -4.539 5.118 1.00 0.00 O ATOM 478 CG2 THR A 29 22.521 -2.327 4.628 1.00 0.00 C ATOM 0 H THR A 29 20.204 -2.958 5.442 1.00 0.00 H new ATOM 0 HA THR A 29 20.568 -2.764 2.756 1.00 0.00 H new ATOM 0 HB THR A 29 22.729 -3.923 3.197 1.00 0.00 H new ATOM 0 HG1 THR A 29 21.531 -5.367 4.839 1.00 0.00 H new ATOM 0 HG21 THR A 29 23.545 -2.433 4.986 1.00 0.00 H new ATOM 0 HG22 THR A 29 22.479 -1.539 3.876 1.00 0.00 H new ATOM 0 HG23 THR A 29 21.870 -2.067 5.463 1.00 0.00 H new ATOM 486 N PRO A 30 19.421 -4.608 1.629 1.00 0.00 N ATOM 487 CA PRO A 30 18.936 -5.711 0.817 1.00 0.00 C ATOM 488 C PRO A 30 20.059 -6.297 -0.040 1.00 0.00 C ATOM 489 O PRO A 30 20.413 -5.735 -1.075 1.00 0.00 O ATOM 490 CB PRO A 30 17.803 -5.123 -0.009 1.00 0.00 C ATOM 491 CG PRO A 30 18.000 -3.616 0.027 1.00 0.00 C ATOM 492 CD PRO A 30 19.000 -3.303 1.129 1.00 0.00 C ATOM 0 HA PRO A 30 18.581 -6.550 1.416 1.00 0.00 H new ATOM 0 HB2 PRO A 30 17.831 -5.496 -1.033 1.00 0.00 H new ATOM 0 HB3 PRO A 30 16.833 -5.400 0.405 1.00 0.00 H new ATOM 0 HG2 PRO A 30 18.366 -3.256 -0.934 1.00 0.00 H new ATOM 0 HG3 PRO A 30 17.053 -3.112 0.217 1.00 0.00 H new ATOM 0 HD2 PRO A 30 19.847 -2.734 0.745 1.00 0.00 H new ATOM 0 HD3 PRO A 30 18.545 -2.704 1.918 1.00 0.00 H new ATOM 500 N ARG A 31 20.589 -7.420 0.423 1.00 0.00 N ATOM 501 CA ARG A 31 21.665 -8.088 -0.288 1.00 0.00 C ATOM 502 C ARG A 31 21.381 -9.588 -0.393 1.00 0.00 C ATOM 503 O ARG A 31 21.421 -10.303 0.607 1.00 0.00 O ATOM 504 CB ARG A 31 23.006 -7.879 0.418 1.00 0.00 C ATOM 505 CG ARG A 31 24.155 -7.823 -0.591 1.00 0.00 C ATOM 506 CD ARG A 31 25.456 -7.386 0.084 1.00 0.00 C ATOM 507 NE ARG A 31 25.985 -6.170 -0.576 1.00 0.00 N ATOM 508 CZ ARG A 31 26.575 -6.165 -1.778 1.00 0.00 C ATOM 509 NH1 ARG A 31 26.717 -7.309 -2.461 1.00 0.00 N ATOM 510 NH2 ARG A 31 27.025 -5.014 -2.299 1.00 0.00 N ATOM 0 H ARG A 31 20.293 -7.884 1.282 1.00 0.00 H new ATOM 0 HA ARG A 31 21.721 -7.654 -1.286 1.00 0.00 H new ATOM 0 HB2 ARG A 31 22.978 -6.954 0.994 1.00 0.00 H new ATOM 0 HB3 ARG A 31 23.178 -8.690 1.126 1.00 0.00 H new ATOM 0 HG2 ARG A 31 24.290 -8.803 -1.049 1.00 0.00 H new ATOM 0 HG3 ARG A 31 23.906 -7.128 -1.393 1.00 0.00 H new ATOM 0 HD2 ARG A 31 25.278 -7.188 1.141 1.00 0.00 H new ATOM 0 HD3 ARG A 31 26.191 -8.189 0.029 1.00 0.00 H new ATOM 0 HE ARG A 31 25.894 -5.281 -0.084 1.00 0.00 H new ATOM 0 HH11 ARG A 31 26.375 -8.185 -2.065 1.00 0.00 H new ATOM 0 HH12 ARG A 31 27.167 -7.304 -3.377 1.00 0.00 H new ATOM 0 HH21 ARG A 31 26.918 -4.143 -1.780 1.00 0.00 H new ATOM 0 HH22 ARG A 31 27.474 -5.010 -3.215 1.00 0.00 H new ATOM 524 N ARG A 32 21.099 -10.021 -1.614 1.00 0.00 N ATOM 525 CA ARG A 32 20.808 -11.422 -1.862 1.00 0.00 C ATOM 526 C ARG A 32 22.046 -12.278 -1.588 1.00 0.00 C ATOM 527 O ARG A 32 21.961 -13.300 -0.909 1.00 0.00 O ATOM 528 CB ARG A 32 20.353 -11.643 -3.306 1.00 0.00 C ATOM 529 CG ARG A 32 19.950 -13.100 -3.538 1.00 0.00 C ATOM 530 CD ARG A 32 18.479 -13.326 -3.182 1.00 0.00 C ATOM 531 NE ARG A 32 18.374 -14.046 -1.894 1.00 0.00 N ATOM 532 CZ ARG A 32 17.296 -14.011 -1.099 1.00 0.00 C ATOM 533 NH1 ARG A 32 16.224 -13.291 -1.455 1.00 0.00 N ATOM 534 NH2 ARG A 32 17.290 -14.696 0.053 1.00 0.00 N ATOM 0 H ARG A 32 21.066 -9.426 -2.441 1.00 0.00 H new ATOM 0 HA ARG A 32 20.002 -11.717 -1.190 1.00 0.00 H new ATOM 0 HB2 ARG A 32 19.510 -10.989 -3.529 1.00 0.00 H new ATOM 0 HB3 ARG A 32 21.157 -11.371 -3.990 1.00 0.00 H new ATOM 0 HG2 ARG A 32 20.120 -13.366 -4.581 1.00 0.00 H new ATOM 0 HG3 ARG A 32 20.579 -13.755 -2.935 1.00 0.00 H new ATOM 0 HD2 ARG A 32 17.961 -12.369 -3.116 1.00 0.00 H new ATOM 0 HD3 ARG A 32 17.990 -13.900 -3.969 1.00 0.00 H new ATOM 0 HE ARG A 32 19.173 -14.604 -1.592 1.00 0.00 H new ATOM 0 HH11 ARG A 32 16.228 -12.769 -2.331 1.00 0.00 H new ATOM 0 HH12 ARG A 32 15.403 -13.265 -0.850 1.00 0.00 H new ATOM 0 HH21 ARG A 32 18.106 -15.244 0.325 1.00 0.00 H new ATOM 0 HH22 ARG A 32 16.469 -14.669 0.658 1.00 0.00 H new TER 548 ARG A 32