USER MOD reduce.3.24.130724 H: found=0, std=0, add=511, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 510 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 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 167:sc= 0.984 (180deg=0.818) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 169:sc= 0.85 (180deg=0.731) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0.463 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ -164:sc= 1.21 (180deg=1.07) USER MOD Single : A 29 ASN : amide:sc= 0.168 K(o=0.17,f=-3.9!) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= 0.913 K(o=0.91,f=0) USER MOD Single : A 35 ASN : amide:sc= -0.644 X(o=-0.64,f=-0.87) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ -149:sc= 0.342 (180deg=-0.325) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0536) USER MOD Single : A 50 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0106) USER MOD Single : A 51 ASN : amide:sc= -0.0237 K(o=-0.024,f=-1.3) USER MOD Single : A 52 TYR OH : rot -130:sc= 0 USER MOD Single : A 55 MET CE :methyl 180:sc=-0.000203 (180deg=-0.000203) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 8.092 -0.402 3.423 1.00 0.00 N ATOM 2 CA MET A 1 9.326 0.358 3.273 1.00 0.00 C ATOM 3 C MET A 1 10.177 -0.301 2.178 1.00 0.00 C ATOM 4 O MET A 1 10.999 -1.172 2.465 1.00 0.00 O ATOM 5 CB MET A 1 10.065 0.475 4.623 1.00 0.00 C ATOM 6 CG MET A 1 9.457 1.525 5.571 1.00 0.00 C ATOM 7 SD MET A 1 7.747 1.256 6.122 1.00 0.00 S ATOM 8 CE MET A 1 7.590 2.575 7.350 1.00 0.00 C ATOM 0 H1 MET A 1 7.608 -0.110 4.296 1.00 0.00 H new ATOM 0 H2 MET A 1 7.472 -0.222 2.607 1.00 0.00 H new ATOM 0 H3 MET A 1 8.313 -1.417 3.473 1.00 0.00 H new ATOM 0 HA MET A 1 9.109 1.380 2.964 1.00 0.00 H new ATOM 0 HB2 MET A 1 10.057 -0.496 5.117 1.00 0.00 H new ATOM 0 HB3 MET A 1 11.108 0.728 4.435 1.00 0.00 H new ATOM 0 HG2 MET A 1 10.091 1.588 6.456 1.00 0.00 H new ATOM 0 HG3 MET A 1 9.503 2.495 5.075 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.592 2.549 7.786 1.00 0.00 H new ATOM 0 HE2 MET A 1 8.333 2.432 8.135 1.00 0.00 H new ATOM 0 HE3 MET A 1 7.751 3.540 6.870 1.00 0.00 H new ATOM 19 N GLU A 2 9.943 0.101 0.916 1.00 0.00 N ATOM 20 CA GLU A 2 10.551 -0.459 -0.292 1.00 0.00 C ATOM 21 C GLU A 2 10.377 -1.988 -0.322 1.00 0.00 C ATOM 22 O GLU A 2 11.343 -2.735 -0.480 1.00 0.00 O ATOM 23 CB GLU A 2 12.018 0.000 -0.436 1.00 0.00 C ATOM 24 CG GLU A 2 12.167 1.517 -0.662 1.00 0.00 C ATOM 25 CD GLU A 2 11.823 2.354 0.574 1.00 0.00 C ATOM 26 OE1 GLU A 2 12.668 2.388 1.494 1.00 0.00 O ATOM 27 OE2 GLU A 2 10.716 2.937 0.585 1.00 0.00 O ATOM 0 H GLU A 2 9.294 0.860 0.707 1.00 0.00 H new ATOM 0 HA GLU A 2 10.032 -0.073 -1.169 1.00 0.00 H new ATOM 0 HB2 GLU A 2 12.568 -0.282 0.462 1.00 0.00 H new ATOM 0 HB3 GLU A 2 12.476 -0.531 -1.271 1.00 0.00 H new ATOM 0 HG2 GLU A 2 13.192 1.733 -0.964 1.00 0.00 H new ATOM 0 HG3 GLU A 2 11.522 1.819 -1.487 1.00 0.00 H new ATOM 34 N ALA A 3 9.127 -2.437 -0.139 1.00 0.00 N ATOM 35 CA ALA A 3 8.753 -3.830 0.083 1.00 0.00 C ATOM 36 C ALA A 3 7.944 -4.400 -1.089 1.00 0.00 C ATOM 37 O ALA A 3 7.094 -3.715 -1.660 1.00 0.00 O ATOM 38 CB ALA A 3 7.946 -3.915 1.386 1.00 0.00 C ATOM 0 H ALA A 3 8.322 -1.811 -0.143 1.00 0.00 H new ATOM 0 HA ALA A 3 9.660 -4.430 0.160 1.00 0.00 H new ATOM 0 HB1 ALA A 3 7.657 -4.950 1.568 1.00 0.00 H new ATOM 0 HB2 ALA A 3 8.556 -3.557 2.216 1.00 0.00 H new ATOM 0 HB3 ALA A 3 7.051 -3.299 1.301 1.00 0.00 H new ATOM 44 N ILE A 4 8.182 -5.682 -1.399 1.00 0.00 N ATOM 45 CA ILE A 4 7.398 -6.498 -2.327 1.00 0.00 C ATOM 46 C ILE A 4 5.908 -6.454 -1.949 1.00 0.00 C ATOM 47 O ILE A 4 5.554 -6.715 -0.801 1.00 0.00 O ATOM 48 CB ILE A 4 7.973 -7.946 -2.340 1.00 0.00 C ATOM 49 CG1 ILE A 4 6.910 -9.046 -2.572 1.00 0.00 C ATOM 50 CG2 ILE A 4 9.108 -8.029 -3.378 1.00 0.00 C ATOM 51 CD1 ILE A 4 7.487 -10.460 -2.712 1.00 0.00 C ATOM 0 H ILE A 4 8.961 -6.198 -0.990 1.00 0.00 H new ATOM 0 HA ILE A 4 7.472 -6.100 -3.339 1.00 0.00 H new ATOM 0 HB ILE A 4 8.364 -8.147 -1.342 1.00 0.00 H new ATOM 0 HG12 ILE A 4 6.205 -9.034 -1.741 1.00 0.00 H new ATOM 0 HG13 ILE A 4 6.345 -8.805 -3.473 1.00 0.00 H new ATOM 0 HG21 ILE A 4 9.515 -9.040 -3.392 1.00 0.00 H new ATOM 0 HG22 ILE A 4 8.717 -7.781 -4.365 1.00 0.00 H new ATOM 0 HG23 ILE A 4 9.896 -7.324 -3.112 1.00 0.00 H new ATOM 0 HD11 ILE A 4 6.676 -11.170 -2.872 1.00 0.00 H new ATOM 0 HD12 ILE A 4 8.170 -10.492 -3.561 1.00 0.00 H new ATOM 0 HD13 ILE A 4 8.026 -10.725 -1.803 1.00 0.00 H new ATOM 63 N ALA A 5 5.035 -6.156 -2.922 1.00 0.00 N ATOM 64 CA ALA A 5 3.587 -6.278 -2.785 1.00 0.00 C ATOM 65 C ALA A 5 3.195 -7.740 -2.514 1.00 0.00 C ATOM 66 O ALA A 5 3.710 -8.652 -3.162 1.00 0.00 O ATOM 67 CB ALA A 5 2.901 -5.751 -4.050 1.00 0.00 C ATOM 0 H ALA A 5 5.326 -5.818 -3.839 1.00 0.00 H new ATOM 0 HA ALA A 5 3.256 -5.680 -1.936 1.00 0.00 H new ATOM 0 HB1 ALA A 5 1.820 -5.844 -3.943 1.00 0.00 H new ATOM 0 HB2 ALA A 5 3.162 -4.703 -4.196 1.00 0.00 H new ATOM 0 HB3 ALA A 5 3.232 -6.331 -4.912 1.00 0.00 H new ATOM 73 N LYS A 6 2.297 -7.956 -1.544 1.00 0.00 N ATOM 74 CA LYS A 6 1.952 -9.280 -1.027 1.00 0.00 C ATOM 75 C LYS A 6 0.789 -9.905 -1.817 1.00 0.00 C ATOM 76 O LYS A 6 0.878 -11.064 -2.222 1.00 0.00 O ATOM 77 CB LYS A 6 1.637 -9.161 0.474 1.00 0.00 C ATOM 78 CG LYS A 6 1.618 -10.518 1.192 1.00 0.00 C ATOM 79 CD LYS A 6 1.334 -10.315 2.691 1.00 0.00 C ATOM 80 CE LYS A 6 1.458 -11.617 3.497 1.00 0.00 C ATOM 81 NZ LYS A 6 0.457 -12.622 3.094 1.00 0.00 N ATOM 0 H LYS A 6 1.783 -7.200 -1.091 1.00 0.00 H new ATOM 0 HA LYS A 6 2.799 -9.954 -1.154 1.00 0.00 H new ATOM 0 HB2 LYS A 6 2.379 -8.517 0.946 1.00 0.00 H new ATOM 0 HB3 LYS A 6 0.669 -8.676 0.599 1.00 0.00 H new ATOM 0 HG2 LYS A 6 0.855 -11.161 0.753 1.00 0.00 H new ATOM 0 HG3 LYS A 6 2.575 -11.022 1.060 1.00 0.00 H new ATOM 0 HD2 LYS A 6 2.028 -9.576 3.092 1.00 0.00 H new ATOM 0 HD3 LYS A 6 0.330 -9.909 2.815 1.00 0.00 H new ATOM 0 HE2 LYS A 6 2.458 -12.030 3.364 1.00 0.00 H new ATOM 0 HE3 LYS A 6 1.342 -11.397 4.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 0.580 -13.483 3.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -0.499 -12.240 3.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 0.583 -12.853 2.088 1.00 0.00 H new ATOM 95 N VAL A 7 -0.298 -9.144 -2.025 1.00 0.00 N ATOM 96 CA VAL A 7 -1.504 -9.562 -2.747 1.00 0.00 C ATOM 97 C VAL A 7 -2.008 -8.448 -3.681 1.00 0.00 C ATOM 98 O VAL A 7 -1.749 -7.267 -3.447 1.00 0.00 O ATOM 99 CB VAL A 7 -2.609 -10.003 -1.760 1.00 0.00 C ATOM 100 CG1 VAL A 7 -2.193 -11.254 -0.969 1.00 0.00 C ATOM 101 CG2 VAL A 7 -3.022 -8.882 -0.789 1.00 0.00 C ATOM 0 H VAL A 7 -0.360 -8.186 -1.681 1.00 0.00 H new ATOM 0 HA VAL A 7 -1.243 -10.419 -3.368 1.00 0.00 H new ATOM 0 HB VAL A 7 -3.477 -10.245 -2.373 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -2.994 -11.535 -0.285 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -2.001 -12.075 -1.660 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -1.288 -11.040 -0.400 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -3.800 -9.249 -0.120 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -2.157 -8.571 -0.203 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -3.401 -8.032 -1.355 1.00 0.00 H new ATOM 111 N ASP A 8 -2.761 -8.834 -4.724 1.00 0.00 N ATOM 112 CA ASP A 8 -3.415 -7.922 -5.661 1.00 0.00 C ATOM 113 C ASP A 8 -4.377 -6.975 -4.923 1.00 0.00 C ATOM 114 O ASP A 8 -5.255 -7.428 -4.187 1.00 0.00 O ATOM 115 CB ASP A 8 -4.162 -8.728 -6.741 1.00 0.00 C ATOM 116 CG ASP A 8 -3.219 -9.407 -7.736 1.00 0.00 C ATOM 117 OD1 ASP A 8 -2.884 -8.744 -8.744 1.00 0.00 O ATOM 118 OD2 ASP A 8 -2.858 -10.577 -7.479 1.00 0.00 O ATOM 0 H ASP A 8 -2.933 -9.816 -4.940 1.00 0.00 H new ATOM 0 HA ASP A 8 -2.653 -7.311 -6.144 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -4.780 -9.485 -6.259 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -4.836 -8.064 -7.282 1.00 0.00 H new ATOM 123 N PHE A 9 -4.209 -5.662 -5.135 1.00 0.00 N ATOM 124 CA PHE A 9 -5.041 -4.606 -4.567 1.00 0.00 C ATOM 125 C PHE A 9 -5.327 -3.563 -5.656 1.00 0.00 C ATOM 126 O PHE A 9 -4.404 -2.906 -6.139 1.00 0.00 O ATOM 127 CB PHE A 9 -4.341 -4.003 -3.340 1.00 0.00 C ATOM 128 CG PHE A 9 -5.117 -2.871 -2.690 1.00 0.00 C ATOM 129 CD1 PHE A 9 -6.354 -3.141 -2.060 1.00 0.00 C ATOM 130 CD2 PHE A 9 -4.697 -1.532 -2.859 1.00 0.00 C ATOM 131 CE1 PHE A 9 -7.168 -2.081 -1.609 1.00 0.00 C ATOM 132 CE2 PHE A 9 -5.516 -0.471 -2.418 1.00 0.00 C ATOM 133 CZ PHE A 9 -6.761 -0.747 -1.816 1.00 0.00 C ATOM 0 H PHE A 9 -3.463 -5.299 -5.728 1.00 0.00 H new ATOM 0 HA PHE A 9 -5.997 -5.003 -4.226 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -4.177 -4.789 -2.603 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -3.359 -3.635 -3.637 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -6.677 -4.163 -1.924 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -3.747 -1.320 -3.327 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -8.101 -2.291 -1.106 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -5.190 0.551 -2.541 1.00 0.00 H new ATOM 0 HZ PHE A 9 -7.404 0.066 -1.513 1.00 0.00 H new ATOM 143 N LYS A 10 -6.601 -3.449 -6.063 1.00 0.00 N ATOM 144 CA LYS A 10 -7.046 -2.678 -7.223 1.00 0.00 C ATOM 145 C LYS A 10 -8.211 -1.763 -6.820 1.00 0.00 C ATOM 146 O LYS A 10 -9.378 -2.126 -6.971 1.00 0.00 O ATOM 147 CB LYS A 10 -7.404 -3.639 -8.377 1.00 0.00 C ATOM 148 CG LYS A 10 -6.281 -4.657 -8.645 1.00 0.00 C ATOM 149 CD LYS A 10 -6.511 -5.454 -9.939 1.00 0.00 C ATOM 150 CE LYS A 10 -5.667 -6.738 -9.973 1.00 0.00 C ATOM 151 NZ LYS A 10 -4.234 -6.479 -9.731 1.00 0.00 N ATOM 0 H LYS A 10 -7.370 -3.907 -5.575 1.00 0.00 H new ATOM 0 HA LYS A 10 -6.245 -2.032 -7.583 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -8.325 -4.170 -8.135 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -7.596 -3.063 -9.283 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -5.327 -4.134 -8.708 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -6.211 -5.347 -7.804 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -7.567 -5.710 -10.026 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -6.262 -4.832 -10.799 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -6.039 -7.434 -9.221 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -5.787 -7.222 -10.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -3.739 -7.381 -9.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -3.825 -5.994 -10.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -4.127 -5.879 -8.888 1.00 0.00 H new ATOM 165 N ALA A 11 -7.885 -0.572 -6.298 1.00 0.00 N ATOM 166 CA ALA A 11 -8.848 0.442 -5.871 1.00 0.00 C ATOM 167 C ALA A 11 -9.427 1.232 -7.058 1.00 0.00 C ATOM 168 O ALA A 11 -8.874 1.224 -8.159 1.00 0.00 O ATOM 169 CB ALA A 11 -8.172 1.385 -4.868 1.00 0.00 C ATOM 0 H ALA A 11 -6.916 -0.284 -6.159 1.00 0.00 H new ATOM 0 HA ALA A 11 -9.688 -0.063 -5.395 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -8.884 2.144 -4.545 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -7.833 0.814 -4.003 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -7.317 1.868 -5.342 1.00 0.00 H new ATOM 175 N THR A 12 -10.546 1.930 -6.811 1.00 0.00 N ATOM 176 CA THR A 12 -11.270 2.752 -7.786 1.00 0.00 C ATOM 177 C THR A 12 -11.504 4.169 -7.232 1.00 0.00 C ATOM 178 O THR A 12 -12.628 4.671 -7.238 1.00 0.00 O ATOM 179 CB THR A 12 -12.572 2.038 -8.220 1.00 0.00 C ATOM 180 OG1 THR A 12 -12.251 0.872 -8.954 1.00 0.00 O ATOM 181 CG2 THR A 12 -13.485 1.640 -7.048 1.00 0.00 C ATOM 0 H THR A 12 -10.986 1.936 -5.891 1.00 0.00 H new ATOM 0 HA THR A 12 -10.666 2.875 -8.685 1.00 0.00 H new ATOM 0 HB THR A 12 -13.122 2.758 -8.826 1.00 0.00 H new ATOM 0 HG1 THR A 12 -13.076 0.420 -9.227 1.00 0.00 H new ATOM 0 HG21 THR A 12 -14.377 1.145 -7.433 1.00 0.00 H new ATOM 0 HG22 THR A 12 -12.950 0.960 -6.385 1.00 0.00 H new ATOM 0 HG23 THR A 12 -13.776 2.533 -6.494 1.00 0.00 H new ATOM 189 N ALA A 13 -10.425 4.824 -6.772 1.00 0.00 N ATOM 190 CA ALA A 13 -10.441 6.172 -6.206 1.00 0.00 C ATOM 191 C ALA A 13 -9.048 6.817 -6.317 1.00 0.00 C ATOM 192 O ALA A 13 -8.035 6.149 -6.099 1.00 0.00 O ATOM 193 CB ALA A 13 -10.920 6.115 -4.748 1.00 0.00 C ATOM 0 H ALA A 13 -9.492 4.412 -6.787 1.00 0.00 H new ATOM 0 HA ALA A 13 -11.136 6.794 -6.770 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -10.931 7.121 -4.329 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -11.926 5.696 -4.711 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -10.244 5.487 -4.167 1.00 0.00 H new ATOM 199 N ASP A 14 -9.003 8.112 -6.673 1.00 0.00 N ATOM 200 CA ASP A 14 -7.783 8.872 -6.953 1.00 0.00 C ATOM 201 C ASP A 14 -7.099 9.327 -5.646 1.00 0.00 C ATOM 202 O ASP A 14 -6.996 10.520 -5.359 1.00 0.00 O ATOM 203 CB ASP A 14 -8.141 10.030 -7.908 1.00 0.00 C ATOM 204 CG ASP A 14 -6.920 10.806 -8.410 1.00 0.00 C ATOM 205 OD1 ASP A 14 -5.958 10.137 -8.850 1.00 0.00 O ATOM 206 OD2 ASP A 14 -6.973 12.054 -8.363 1.00 0.00 O ATOM 0 H ASP A 14 -9.848 8.674 -6.776 1.00 0.00 H new ATOM 0 HA ASP A 14 -7.043 8.246 -7.451 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -8.685 9.630 -8.764 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -8.814 10.718 -7.396 1.00 0.00 H new ATOM 211 N ASP A 15 -6.632 8.346 -4.864 1.00 0.00 N ATOM 212 CA ASP A 15 -5.999 8.493 -3.551 1.00 0.00 C ATOM 213 C ASP A 15 -5.382 7.159 -3.088 1.00 0.00 C ATOM 214 O ASP A 15 -4.293 7.148 -2.520 1.00 0.00 O ATOM 215 CB ASP A 15 -6.988 9.061 -2.508 1.00 0.00 C ATOM 216 CG ASP A 15 -8.158 8.131 -2.168 1.00 0.00 C ATOM 217 OD1 ASP A 15 -8.744 7.568 -3.116 1.00 0.00 O ATOM 218 OD2 ASP A 15 -8.441 7.991 -0.959 1.00 0.00 O ATOM 0 H ASP A 15 -6.690 7.369 -5.150 1.00 0.00 H new ATOM 0 HA ASP A 15 -5.188 9.215 -3.646 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -6.441 9.286 -1.592 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -7.387 10.004 -2.881 1.00 0.00 H new ATOM 223 N GLU A 16 -6.084 6.040 -3.322 1.00 0.00 N ATOM 224 CA GLU A 16 -5.669 4.685 -2.972 1.00 0.00 C ATOM 225 C GLU A 16 -4.738 4.112 -4.054 1.00 0.00 C ATOM 226 O GLU A 16 -5.179 3.807 -5.163 1.00 0.00 O ATOM 227 CB GLU A 16 -6.921 3.813 -2.782 1.00 0.00 C ATOM 228 CG GLU A 16 -7.726 4.259 -1.549 1.00 0.00 C ATOM 229 CD GLU A 16 -9.002 3.450 -1.313 1.00 0.00 C ATOM 230 OE1 GLU A 16 -9.029 2.266 -1.713 1.00 0.00 O ATOM 231 OE2 GLU A 16 -9.929 4.032 -0.708 1.00 0.00 O ATOM 0 H GLU A 16 -6.995 6.062 -3.780 1.00 0.00 H new ATOM 0 HA GLU A 16 -5.107 4.698 -2.038 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -7.549 3.874 -3.671 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -6.627 2.769 -2.670 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -7.091 4.182 -0.666 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -7.990 5.310 -1.661 1.00 0.00 H new ATOM 238 N LEU A 17 -3.448 3.954 -3.722 1.00 0.00 N ATOM 239 CA LEU A 17 -2.417 3.408 -4.601 1.00 0.00 C ATOM 240 C LEU A 17 -2.616 1.897 -4.799 1.00 0.00 C ATOM 241 O LEU A 17 -2.613 1.131 -3.835 1.00 0.00 O ATOM 242 CB LEU A 17 -1.030 3.740 -4.027 1.00 0.00 C ATOM 243 CG LEU A 17 0.163 3.157 -4.809 1.00 0.00 C ATOM 244 CD1 LEU A 17 0.152 3.584 -6.283 1.00 0.00 C ATOM 245 CD2 LEU A 17 1.469 3.651 -4.172 1.00 0.00 C ATOM 0 H LEU A 17 -3.088 4.213 -2.804 1.00 0.00 H new ATOM 0 HA LEU A 17 -2.495 3.866 -5.587 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -0.922 4.824 -3.986 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.983 3.376 -3.001 1.00 0.00 H new ATOM 0 HG LEU A 17 0.086 2.071 -4.767 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.011 3.149 -6.794 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.766 3.235 -6.756 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.203 4.671 -6.347 1.00 0.00 H new ATOM 0 HD21 LEU A 17 2.318 3.243 -4.720 1.00 0.00 H new ATOM 0 HD22 LEU A 17 1.503 4.740 -4.209 1.00 0.00 H new ATOM 0 HD23 LEU A 17 1.515 3.322 -3.134 1.00 0.00 H new ATOM 257 N SER A 18 -2.785 1.488 -6.064 1.00 0.00 N ATOM 258 CA SER A 18 -3.055 0.119 -6.503 1.00 0.00 C ATOM 259 C SER A 18 -1.777 -0.571 -7.013 1.00 0.00 C ATOM 260 O SER A 18 -0.836 0.091 -7.453 1.00 0.00 O ATOM 261 CB SER A 18 -4.136 0.147 -7.595 1.00 0.00 C ATOM 262 OG SER A 18 -5.361 0.615 -7.066 1.00 0.00 O ATOM 0 H SER A 18 -2.734 2.140 -6.847 1.00 0.00 H new ATOM 0 HA SER A 18 -3.412 -0.461 -5.652 1.00 0.00 H new ATOM 0 HB2 SER A 18 -3.817 0.791 -8.415 1.00 0.00 H new ATOM 0 HB3 SER A 18 -4.270 -0.853 -8.009 1.00 0.00 H new ATOM 0 HG SER A 18 -6.039 0.629 -7.774 1.00 0.00 H new ATOM 268 N PHE A 19 -1.753 -1.910 -6.944 1.00 0.00 N ATOM 269 CA PHE A 19 -0.581 -2.746 -7.224 1.00 0.00 C ATOM 270 C PHE A 19 -0.957 -4.236 -7.352 1.00 0.00 C ATOM 271 O PHE A 19 -2.064 -4.645 -6.994 1.00 0.00 O ATOM 272 CB PHE A 19 0.488 -2.523 -6.134 1.00 0.00 C ATOM 273 CG PHE A 19 -0.010 -2.691 -4.706 1.00 0.00 C ATOM 274 CD1 PHE A 19 -0.154 -3.981 -4.148 1.00 0.00 C ATOM 275 CD2 PHE A 19 -0.406 -1.559 -3.957 1.00 0.00 C ATOM 276 CE1 PHE A 19 -0.590 -4.131 -2.815 1.00 0.00 C ATOM 277 CE2 PHE A 19 -0.901 -1.715 -2.647 1.00 0.00 C ATOM 278 CZ PHE A 19 -0.960 -2.997 -2.063 1.00 0.00 C ATOM 0 H PHE A 19 -2.575 -2.456 -6.684 1.00 0.00 H new ATOM 0 HA PHE A 19 -0.167 -2.448 -8.187 1.00 0.00 H new ATOM 0 HB2 PHE A 19 1.308 -3.221 -6.302 1.00 0.00 H new ATOM 0 HB3 PHE A 19 0.896 -1.518 -6.246 1.00 0.00 H new ATOM 0 HD1 PHE A 19 0.070 -4.854 -4.743 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -0.329 -0.573 -4.390 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -0.640 -5.114 -2.370 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -1.235 -0.852 -2.090 1.00 0.00 H new ATOM 0 HZ PHE A 19 -1.288 -3.110 -1.040 1.00 0.00 H new ATOM 288 N LYS A 20 -0.017 -5.044 -7.870 1.00 0.00 N ATOM 289 CA LYS A 20 -0.171 -6.480 -8.098 1.00 0.00 C ATOM 290 C LYS A 20 0.514 -7.290 -6.981 1.00 0.00 C ATOM 291 O LYS A 20 -0.103 -7.572 -5.956 1.00 0.00 O ATOM 292 CB LYS A 20 0.330 -6.852 -9.510 1.00 0.00 C ATOM 293 CG LYS A 20 -0.461 -6.157 -10.629 1.00 0.00 C ATOM 294 CD LYS A 20 -0.079 -6.678 -12.026 1.00 0.00 C ATOM 295 CE LYS A 20 1.388 -6.395 -12.389 1.00 0.00 C ATOM 296 NZ LYS A 20 1.698 -6.820 -13.768 1.00 0.00 N ATOM 0 H LYS A 20 0.901 -4.698 -8.149 1.00 0.00 H new ATOM 0 HA LYS A 20 -1.229 -6.740 -8.057 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.383 -6.586 -9.598 1.00 0.00 H new ATOM 0 HB3 LYS A 20 0.262 -7.932 -9.641 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -1.528 -6.310 -10.466 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -0.283 -5.083 -10.583 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -0.258 -7.752 -12.069 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -0.728 -6.217 -12.770 1.00 0.00 H new ATOM 0 HE2 LYS A 20 1.591 -5.329 -12.282 1.00 0.00 H new ATOM 0 HE3 LYS A 20 2.043 -6.916 -11.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 2.695 -6.614 -13.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 1.528 -7.842 -13.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 1.090 -6.304 -14.435 1.00 0.00 H new ATOM 310 N ARG A 21 1.775 -7.692 -7.191 1.00 0.00 N ATOM 311 CA ARG A 21 2.530 -8.628 -6.357 1.00 0.00 C ATOM 312 C ARG A 21 3.981 -8.660 -6.858 1.00 0.00 C ATOM 313 O ARG A 21 4.218 -8.843 -8.052 1.00 0.00 O ATOM 314 CB ARG A 21 1.864 -10.015 -6.372 1.00 0.00 C ATOM 315 CG ARG A 21 2.712 -11.128 -5.729 1.00 0.00 C ATOM 316 CD ARG A 21 1.904 -12.406 -5.438 1.00 0.00 C ATOM 317 NE ARG A 21 1.078 -12.820 -6.589 1.00 0.00 N ATOM 318 CZ ARG A 21 -0.188 -12.431 -6.836 1.00 0.00 C ATOM 319 NH1 ARG A 21 -0.910 -11.759 -5.935 1.00 0.00 N ATOM 320 NH2 ARG A 21 -0.750 -12.693 -8.019 1.00 0.00 N ATOM 0 H ARG A 21 2.319 -7.356 -7.985 1.00 0.00 H new ATOM 0 HA ARG A 21 2.534 -8.303 -5.316 1.00 0.00 H new ATOM 0 HB2 ARG A 21 0.909 -9.953 -5.850 1.00 0.00 H new ATOM 0 HB3 ARG A 21 1.646 -10.290 -7.404 1.00 0.00 H new ATOM 0 HG2 ARG A 21 3.543 -11.373 -6.391 1.00 0.00 H new ATOM 0 HG3 ARG A 21 3.143 -10.758 -4.799 1.00 0.00 H new ATOM 0 HD2 ARG A 21 2.587 -13.213 -5.175 1.00 0.00 H new ATOM 0 HD3 ARG A 21 1.261 -12.238 -4.574 1.00 0.00 H new ATOM 0 HE ARG A 21 1.505 -13.460 -7.259 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -0.505 -11.526 -5.028 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -1.866 -11.479 -6.154 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -0.221 -13.188 -8.737 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -1.709 -12.398 -8.205 1.00 0.00 H new ATOM 334 N GLY A 22 4.946 -8.452 -5.950 1.00 0.00 N ATOM 335 CA GLY A 22 6.353 -8.231 -6.292 1.00 0.00 C ATOM 336 C GLY A 22 6.675 -6.733 -6.424 1.00 0.00 C ATOM 337 O GLY A 22 7.796 -6.320 -6.130 1.00 0.00 O ATOM 0 H GLY A 22 4.766 -8.433 -4.946 1.00 0.00 H new ATOM 0 HA2 GLY A 22 6.988 -8.674 -5.525 1.00 0.00 H new ATOM 0 HA3 GLY A 22 6.584 -8.737 -7.229 1.00 0.00 H new ATOM 341 N ASP A 23 5.691 -5.925 -6.855 1.00 0.00 N ATOM 342 CA ASP A 23 5.714 -4.471 -6.982 1.00 0.00 C ATOM 343 C ASP A 23 6.382 -3.831 -5.748 1.00 0.00 C ATOM 344 O ASP A 23 5.901 -4.010 -4.631 1.00 0.00 O ATOM 345 CB ASP A 23 4.267 -3.941 -7.143 1.00 0.00 C ATOM 346 CG ASP A 23 3.400 -4.580 -8.241 1.00 0.00 C ATOM 347 OD1 ASP A 23 3.582 -5.784 -8.523 1.00 0.00 O ATOM 348 OD2 ASP A 23 2.509 -3.862 -8.745 1.00 0.00 O ATOM 0 H ASP A 23 4.792 -6.309 -7.144 1.00 0.00 H new ATOM 0 HA ASP A 23 6.296 -4.202 -7.864 1.00 0.00 H new ATOM 0 HB2 ASP A 23 3.753 -4.069 -6.190 1.00 0.00 H new ATOM 0 HB3 ASP A 23 4.320 -2.869 -7.336 1.00 0.00 H new ATOM 353 N ILE A 24 7.499 -3.114 -5.941 1.00 0.00 N ATOM 354 CA ILE A 24 8.241 -2.457 -4.863 1.00 0.00 C ATOM 355 C ILE A 24 7.545 -1.143 -4.468 1.00 0.00 C ATOM 356 O ILE A 24 7.606 -0.163 -5.207 1.00 0.00 O ATOM 357 CB ILE A 24 9.735 -2.284 -5.238 1.00 0.00 C ATOM 358 CG1 ILE A 24 9.986 -1.400 -6.481 1.00 0.00 C ATOM 359 CG2 ILE A 24 10.523 -1.757 -4.022 1.00 0.00 C ATOM 360 CD1 ILE A 24 11.391 -1.592 -7.069 1.00 0.00 C ATOM 0 H ILE A 24 7.915 -2.975 -6.862 1.00 0.00 H new ATOM 0 HA ILE A 24 8.235 -3.092 -3.977 1.00 0.00 H new ATOM 0 HB ILE A 24 10.094 -3.275 -5.518 1.00 0.00 H new ATOM 0 HG12 ILE A 24 9.242 -1.632 -7.243 1.00 0.00 H new ATOM 0 HG13 ILE A 24 9.849 -0.353 -6.211 1.00 0.00 H new ATOM 0 HG21 ILE A 24 11.572 -1.638 -4.292 1.00 0.00 H new ATOM 0 HG22 ILE A 24 10.116 -0.794 -3.714 1.00 0.00 H new ATOM 0 HG23 ILE A 24 10.439 -2.466 -3.199 1.00 0.00 H new ATOM 0 HD11 ILE A 24 11.512 -0.947 -7.939 1.00 0.00 H new ATOM 0 HD12 ILE A 24 12.138 -1.333 -6.319 1.00 0.00 H new ATOM 0 HD13 ILE A 24 11.522 -2.632 -7.367 1.00 0.00 H new ATOM 372 N LEU A 25 6.894 -1.117 -3.294 1.00 0.00 N ATOM 373 CA LEU A 25 6.173 0.049 -2.787 1.00 0.00 C ATOM 374 C LEU A 25 7.145 0.909 -1.969 1.00 0.00 C ATOM 375 O LEU A 25 7.572 0.518 -0.883 1.00 0.00 O ATOM 376 CB LEU A 25 4.956 -0.368 -1.933 1.00 0.00 C ATOM 377 CG LEU A 25 3.672 -0.713 -2.717 1.00 0.00 C ATOM 378 CD1 LEU A 25 3.162 0.469 -3.561 1.00 0.00 C ATOM 379 CD2 LEU A 25 3.831 -1.960 -3.592 1.00 0.00 C ATOM 0 H LEU A 25 6.857 -1.920 -2.666 1.00 0.00 H new ATOM 0 HA LEU A 25 5.788 0.626 -3.628 1.00 0.00 H new ATOM 0 HB2 LEU A 25 5.236 -1.234 -1.333 1.00 0.00 H new ATOM 0 HB3 LEU A 25 4.729 0.441 -1.239 1.00 0.00 H new ATOM 0 HG LEU A 25 2.922 -0.933 -1.958 1.00 0.00 H new ATOM 0 HD11 LEU A 25 2.257 0.173 -4.092 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.940 1.313 -2.908 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.927 0.759 -4.281 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.898 -2.155 -4.120 1.00 0.00 H new ATOM 0 HD22 LEU A 25 4.630 -1.797 -4.315 1.00 0.00 H new ATOM 0 HD23 LEU A 25 4.079 -2.816 -2.964 1.00 0.00 H new ATOM 391 N LYS A 26 7.461 2.096 -2.503 1.00 0.00 N ATOM 392 CA LYS A 26 8.447 3.037 -1.987 1.00 0.00 C ATOM 393 C LYS A 26 7.744 3.970 -0.995 1.00 0.00 C ATOM 394 O LYS A 26 6.939 4.805 -1.403 1.00 0.00 O ATOM 395 CB LYS A 26 9.035 3.820 -3.180 1.00 0.00 C ATOM 396 CG LYS A 26 9.903 5.023 -2.770 1.00 0.00 C ATOM 397 CD LYS A 26 10.363 5.800 -4.016 1.00 0.00 C ATOM 398 CE LYS A 26 11.001 7.152 -3.665 1.00 0.00 C ATOM 399 NZ LYS A 26 10.013 8.110 -3.128 1.00 0.00 N ATOM 0 H LYS A 26 7.008 2.438 -3.351 1.00 0.00 H new ATOM 0 HA LYS A 26 9.261 2.529 -1.469 1.00 0.00 H new ATOM 0 HB2 LYS A 26 9.635 3.142 -3.787 1.00 0.00 H new ATOM 0 HB3 LYS A 26 8.218 4.172 -3.809 1.00 0.00 H new ATOM 0 HG2 LYS A 26 9.336 5.681 -2.111 1.00 0.00 H new ATOM 0 HG3 LYS A 26 10.771 4.679 -2.207 1.00 0.00 H new ATOM 0 HD2 LYS A 26 11.081 5.197 -4.572 1.00 0.00 H new ATOM 0 HD3 LYS A 26 9.509 5.965 -4.673 1.00 0.00 H new ATOM 0 HE2 LYS A 26 11.793 6.999 -2.932 1.00 0.00 H new ATOM 0 HE3 LYS A 26 11.468 7.574 -4.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 10.409 9.071 -3.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 9.147 8.074 -3.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 9.787 7.860 -2.144 1.00 0.00 H new ATOM 413 N VAL A 27 8.058 3.837 0.300 1.00 0.00 N ATOM 414 CA VAL A 27 7.431 4.596 1.382 1.00 0.00 C ATOM 415 C VAL A 27 8.203 5.897 1.623 1.00 0.00 C ATOM 416 O VAL A 27 9.408 5.987 1.383 1.00 0.00 O ATOM 417 CB VAL A 27 7.327 3.741 2.662 1.00 0.00 C ATOM 418 CG1 VAL A 27 6.649 4.491 3.824 1.00 0.00 C ATOM 419 CG2 VAL A 27 6.511 2.473 2.374 1.00 0.00 C ATOM 0 H VAL A 27 8.770 3.185 0.628 1.00 0.00 H new ATOM 0 HA VAL A 27 6.414 4.859 1.091 1.00 0.00 H new ATOM 0 HB VAL A 27 8.347 3.498 2.959 1.00 0.00 H new ATOM 0 HG11 VAL A 27 6.603 3.842 4.698 1.00 0.00 H new ATOM 0 HG12 VAL A 27 7.225 5.385 4.065 1.00 0.00 H new ATOM 0 HG13 VAL A 27 5.639 4.778 3.532 1.00 0.00 H new ATOM 0 HG21 VAL A 27 6.440 1.872 3.281 1.00 0.00 H new ATOM 0 HG22 VAL A 27 5.510 2.752 2.044 1.00 0.00 H new ATOM 0 HG23 VAL A 27 7.003 1.894 1.592 1.00 0.00 H new ATOM 429 N LEU A 28 7.471 6.919 2.075 1.00 0.00 N ATOM 430 CA LEU A 28 7.966 8.284 2.228 1.00 0.00 C ATOM 431 C LEU A 28 8.560 8.483 3.633 1.00 0.00 C ATOM 432 O LEU A 28 9.668 8.015 3.893 1.00 0.00 O ATOM 433 CB LEU A 28 6.854 9.278 1.830 1.00 0.00 C ATOM 434 CG LEU A 28 6.335 9.057 0.391 1.00 0.00 C ATOM 435 CD1 LEU A 28 5.233 10.076 0.065 1.00 0.00 C ATOM 436 CD2 LEU A 28 7.453 9.144 -0.659 1.00 0.00 C ATOM 0 H LEU A 28 6.495 6.814 2.351 1.00 0.00 H new ATOM 0 HA LEU A 28 8.795 8.483 1.549 1.00 0.00 H new ATOM 0 HB2 LEU A 28 6.023 9.184 2.529 1.00 0.00 H new ATOM 0 HB3 LEU A 28 7.234 10.296 1.921 1.00 0.00 H new ATOM 0 HG LEU A 28 5.930 8.046 0.350 1.00 0.00 H new ATOM 0 HD11 LEU A 28 4.874 9.911 -0.951 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.407 9.955 0.766 1.00 0.00 H new ATOM 0 HD13 LEU A 28 5.635 11.086 0.149 1.00 0.00 H new ATOM 0 HD21 LEU A 28 7.033 8.981 -1.652 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.915 10.130 -0.618 1.00 0.00 H new ATOM 0 HD23 LEU A 28 8.205 8.382 -0.454 1.00 0.00 H new ATOM 448 N ASN A 29 7.861 9.196 4.528 1.00 0.00 N ATOM 449 CA ASN A 29 8.317 9.489 5.888 1.00 0.00 C ATOM 450 C ASN A 29 7.109 9.632 6.827 1.00 0.00 C ATOM 451 O ASN A 29 6.814 8.720 7.598 1.00 0.00 O ATOM 452 CB ASN A 29 9.280 10.700 5.900 1.00 0.00 C ATOM 453 CG ASN A 29 8.830 11.874 5.020 1.00 0.00 C ATOM 454 OD1 ASN A 29 8.076 12.737 5.459 1.00 0.00 O ATOM 455 ND2 ASN A 29 9.279 11.911 3.765 1.00 0.00 N ATOM 0 H ASN A 29 6.944 9.592 4.319 1.00 0.00 H new ATOM 0 HA ASN A 29 8.904 8.654 6.271 1.00 0.00 H new ATOM 0 HB2 ASN A 29 9.390 11.052 6.926 1.00 0.00 H new ATOM 0 HB3 ASN A 29 10.265 10.370 5.569 1.00 0.00 H new ATOM 0 HD21 ASN A 29 8.997 12.670 3.144 1.00 0.00 H new ATOM 0 HD22 ASN A 29 9.905 11.181 3.426 1.00 0.00 H new ATOM 462 N GLU A 30 6.396 10.764 6.744 1.00 0.00 N ATOM 463 CA GLU A 30 5.195 11.051 7.523 1.00 0.00 C ATOM 464 C GLU A 30 3.997 10.310 6.914 1.00 0.00 C ATOM 465 O GLU A 30 3.153 10.910 6.247 1.00 0.00 O ATOM 466 CB GLU A 30 4.977 12.574 7.594 1.00 0.00 C ATOM 467 CG GLU A 30 6.084 13.260 8.410 1.00 0.00 C ATOM 468 CD GLU A 30 5.928 14.781 8.409 1.00 0.00 C ATOM 469 OE1 GLU A 30 6.448 15.408 7.461 1.00 0.00 O ATOM 470 OE2 GLU A 30 5.280 15.289 9.350 1.00 0.00 O ATOM 0 H GLU A 30 6.651 11.524 6.113 1.00 0.00 H new ATOM 0 HA GLU A 30 5.310 10.693 8.546 1.00 0.00 H new ATOM 0 HB2 GLU A 30 4.956 12.988 6.586 1.00 0.00 H new ATOM 0 HB3 GLU A 30 4.007 12.784 8.045 1.00 0.00 H new ATOM 0 HG2 GLU A 30 6.061 12.893 9.436 1.00 0.00 H new ATOM 0 HG3 GLU A 30 7.058 12.994 7.998 1.00 0.00 H new ATOM 477 N GLU A 31 3.932 8.993 7.157 1.00 0.00 N ATOM 478 CA GLU A 31 2.811 8.134 6.777 1.00 0.00 C ATOM 479 C GLU A 31 1.517 8.513 7.518 1.00 0.00 C ATOM 480 O GLU A 31 0.454 8.548 6.901 1.00 0.00 O ATOM 481 CB GLU A 31 3.184 6.647 6.930 1.00 0.00 C ATOM 482 CG GLU A 31 3.498 6.196 8.371 1.00 0.00 C ATOM 483 CD GLU A 31 3.878 4.713 8.464 1.00 0.00 C ATOM 484 OE1 GLU A 31 4.539 4.224 7.522 1.00 0.00 O ATOM 485 OE2 GLU A 31 3.512 4.093 9.488 1.00 0.00 O ATOM 0 H GLU A 31 4.678 8.487 7.635 1.00 0.00 H new ATOM 0 HA GLU A 31 2.600 8.299 5.720 1.00 0.00 H new ATOM 0 HB2 GLU A 31 2.363 6.041 6.547 1.00 0.00 H new ATOM 0 HB3 GLU A 31 4.052 6.440 6.304 1.00 0.00 H new ATOM 0 HG2 GLU A 31 4.315 6.800 8.765 1.00 0.00 H new ATOM 0 HG3 GLU A 31 2.629 6.383 9.002 1.00 0.00 H new ATOM 492 N SER A 32 1.629 8.826 8.820 1.00 0.00 N ATOM 493 CA SER A 32 0.568 9.278 9.726 1.00 0.00 C ATOM 494 C SER A 32 -0.436 8.160 10.040 1.00 0.00 C ATOM 495 O SER A 32 -0.540 7.701 11.178 1.00 0.00 O ATOM 496 CB SER A 32 -0.106 10.560 9.201 1.00 0.00 C ATOM 497 OG SER A 32 -1.001 11.071 10.169 1.00 0.00 O ATOM 0 H SER A 32 2.528 8.764 9.297 1.00 0.00 H new ATOM 0 HA SER A 32 1.033 9.536 10.678 1.00 0.00 H new ATOM 0 HB2 SER A 32 0.651 11.307 8.965 1.00 0.00 H new ATOM 0 HB3 SER A 32 -0.642 10.346 8.276 1.00 0.00 H new ATOM 0 HG SER A 32 -1.423 11.887 9.826 1.00 0.00 H new ATOM 503 N ASP A 33 -1.162 7.725 9.008 1.00 0.00 N ATOM 504 CA ASP A 33 -2.117 6.628 9.006 1.00 0.00 C ATOM 505 C ASP A 33 -1.363 5.292 9.149 1.00 0.00 C ATOM 506 O ASP A 33 -1.056 4.636 8.155 1.00 0.00 O ATOM 507 CB ASP A 33 -2.927 6.694 7.695 1.00 0.00 C ATOM 508 CG ASP A 33 -3.692 8.006 7.511 1.00 0.00 C ATOM 509 OD1 ASP A 33 -3.035 9.019 7.184 1.00 0.00 O ATOM 510 OD2 ASP A 33 -4.931 7.980 7.670 1.00 0.00 O ATOM 0 H ASP A 33 -1.089 8.164 8.090 1.00 0.00 H new ATOM 0 HA ASP A 33 -2.807 6.706 9.846 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -2.249 6.557 6.852 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -3.634 5.865 7.673 1.00 0.00 H new ATOM 515 N GLN A 34 -1.071 4.879 10.391 1.00 0.00 N ATOM 516 CA GLN A 34 -0.401 3.610 10.696 1.00 0.00 C ATOM 517 C GLN A 34 -1.404 2.445 10.595 1.00 0.00 C ATOM 518 O GLN A 34 -1.768 1.809 11.583 1.00 0.00 O ATOM 519 CB GLN A 34 0.329 3.692 12.049 1.00 0.00 C ATOM 520 CG GLN A 34 1.301 4.888 12.091 1.00 0.00 C ATOM 521 CD GLN A 34 2.523 4.616 12.970 1.00 0.00 C ATOM 522 OE1 GLN A 34 2.480 4.806 14.182 1.00 0.00 O ATOM 523 NE2 GLN A 34 3.622 4.168 12.362 1.00 0.00 N ATOM 0 H GLN A 34 -1.297 5.426 11.222 1.00 0.00 H new ATOM 0 HA GLN A 34 0.374 3.412 9.956 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -0.401 3.786 12.853 1.00 0.00 H new ATOM 0 HB3 GLN A 34 0.879 2.767 12.224 1.00 0.00 H new ATOM 0 HG2 GLN A 34 1.630 5.121 11.078 1.00 0.00 H new ATOM 0 HG3 GLN A 34 0.776 5.767 12.466 1.00 0.00 H new ATOM 0 HE21 GLN A 34 3.623 4.021 11.353 1.00 0.00 H new ATOM 0 HE22 GLN A 34 4.462 3.972 12.906 1.00 0.00 H new ATOM 532 N ASN A 35 -1.844 2.202 9.355 1.00 0.00 N ATOM 533 CA ASN A 35 -2.930 1.324 8.923 1.00 0.00 C ATOM 534 C ASN A 35 -2.890 1.209 7.386 1.00 0.00 C ATOM 535 O ASN A 35 -3.041 0.112 6.847 1.00 0.00 O ATOM 536 CB ASN A 35 -4.294 1.821 9.448 1.00 0.00 C ATOM 537 CG ASN A 35 -4.592 3.276 9.096 1.00 0.00 C ATOM 538 OD1 ASN A 35 -4.104 4.196 9.743 1.00 0.00 O ATOM 539 ND2 ASN A 35 -5.396 3.500 8.063 1.00 0.00 N ATOM 0 H ASN A 35 -1.405 2.660 8.556 1.00 0.00 H new ATOM 0 HA ASN A 35 -2.795 0.329 9.347 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -5.083 1.189 9.041 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -4.321 1.705 10.532 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -5.621 4.457 7.790 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -5.788 2.715 7.542 1.00 0.00 H new ATOM 546 N TRP A 36 -2.678 2.340 6.687 1.00 0.00 N ATOM 547 CA TRP A 36 -2.389 2.415 5.257 1.00 0.00 C ATOM 548 C TRP A 36 -1.264 3.447 5.043 1.00 0.00 C ATOM 549 O TRP A 36 -1.427 4.602 5.430 1.00 0.00 O ATOM 550 CB TRP A 36 -3.617 2.835 4.424 1.00 0.00 C ATOM 551 CG TRP A 36 -4.803 1.923 4.286 1.00 0.00 C ATOM 552 CD1 TRP A 36 -5.481 1.298 5.275 1.00 0.00 C ATOM 553 CD2 TRP A 36 -5.578 1.679 3.077 1.00 0.00 C ATOM 554 NE1 TRP A 36 -6.609 0.687 4.771 1.00 0.00 N ATOM 555 CE2 TRP A 36 -6.745 0.933 3.424 1.00 0.00 C ATOM 556 CE3 TRP A 36 -5.438 2.070 1.726 1.00 0.00 C ATOM 557 CZ2 TRP A 36 -7.749 0.633 2.486 1.00 0.00 C ATOM 558 CZ3 TRP A 36 -6.410 1.724 0.762 1.00 0.00 C ATOM 559 CH2 TRP A 36 -7.579 1.034 1.148 1.00 0.00 C ATOM 0 H TRP A 36 -2.706 3.259 7.128 1.00 0.00 H new ATOM 0 HA TRP A 36 -2.094 1.421 4.922 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -3.982 3.773 4.842 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -3.261 3.052 3.417 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -5.181 1.280 6.312 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -7.258 0.126 5.324 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -4.573 2.643 1.426 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -8.639 0.102 2.789 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -6.258 1.988 -0.274 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -8.343 0.814 0.417 1.00 0.00 H new ATOM 570 N TYR A 37 -0.151 3.077 4.388 1.00 0.00 N ATOM 571 CA TYR A 37 1.035 3.941 4.301 1.00 0.00 C ATOM 572 C TYR A 37 0.966 4.870 3.087 1.00 0.00 C ATOM 573 O TYR A 37 0.401 4.509 2.058 1.00 0.00 O ATOM 574 CB TYR A 37 2.326 3.115 4.144 1.00 0.00 C ATOM 575 CG TYR A 37 2.681 2.085 5.195 1.00 0.00 C ATOM 576 CD1 TYR A 37 2.180 2.178 6.512 1.00 0.00 C ATOM 577 CD2 TYR A 37 3.710 1.164 4.896 1.00 0.00 C ATOM 578 CE1 TYR A 37 2.754 1.399 7.540 1.00 0.00 C ATOM 579 CE2 TYR A 37 4.284 0.389 5.922 1.00 0.00 C ATOM 580 CZ TYR A 37 3.825 0.526 7.249 1.00 0.00 C ATOM 581 OH TYR A 37 4.415 -0.192 8.248 1.00 0.00 O ATOM 0 H TYR A 37 -0.049 2.182 3.910 1.00 0.00 H new ATOM 0 HA TYR A 37 1.051 4.514 5.228 1.00 0.00 H new ATOM 0 HB2 TYR A 37 2.270 2.599 3.186 1.00 0.00 H new ATOM 0 HB3 TYR A 37 3.158 3.817 4.079 1.00 0.00 H new ATOM 0 HD1 TYR A 37 1.359 2.844 6.732 1.00 0.00 H new ATOM 0 HD2 TYR A 37 4.057 1.054 3.879 1.00 0.00 H new ATOM 0 HE1 TYR A 37 2.374 1.471 8.548 1.00 0.00 H new ATOM 0 HE2 TYR A 37 5.075 -0.310 5.693 1.00 0.00 H new ATOM 0 HH TYR A 37 5.134 -0.743 7.874 1.00 0.00 H new ATOM 591 N LYS A 38 1.637 6.026 3.180 1.00 0.00 N ATOM 592 CA LYS A 38 1.788 6.969 2.078 1.00 0.00 C ATOM 593 C LYS A 38 3.051 6.580 1.300 1.00 0.00 C ATOM 594 O LYS A 38 4.168 6.754 1.793 1.00 0.00 O ATOM 595 CB LYS A 38 1.881 8.406 2.619 1.00 0.00 C ATOM 596 CG LYS A 38 0.533 8.904 3.161 1.00 0.00 C ATOM 597 CD LYS A 38 0.616 10.234 3.933 1.00 0.00 C ATOM 598 CE LYS A 38 1.349 11.372 3.201 1.00 0.00 C ATOM 599 NZ LYS A 38 2.816 11.289 3.356 1.00 0.00 N ATOM 0 H LYS A 38 2.095 6.331 4.039 1.00 0.00 H new ATOM 0 HA LYS A 38 0.924 6.932 1.414 1.00 0.00 H new ATOM 0 HB2 LYS A 38 2.628 8.448 3.411 1.00 0.00 H new ATOM 0 HB3 LYS A 38 2.221 9.071 1.825 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -0.159 9.023 2.328 1.00 0.00 H new ATOM 0 HG3 LYS A 38 0.114 8.141 3.817 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -0.396 10.565 4.164 1.00 0.00 H new ATOM 0 HD3 LYS A 38 1.117 10.053 4.884 1.00 0.00 H new ATOM 0 HE2 LYS A 38 1.096 11.341 2.141 1.00 0.00 H new ATOM 0 HE3 LYS A 38 1.000 12.331 3.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 3.222 12.247 3.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 3.044 10.832 4.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 3.216 10.730 2.576 1.00 0.00 H new ATOM 613 N ALA A 39 2.850 6.007 0.104 1.00 0.00 N ATOM 614 CA ALA A 39 3.881 5.373 -0.711 1.00 0.00 C ATOM 615 C ALA A 39 3.713 5.674 -2.211 1.00 0.00 C ATOM 616 O ALA A 39 2.788 6.375 -2.625 1.00 0.00 O ATOM 617 CB ALA A 39 3.858 3.862 -0.433 1.00 0.00 C ATOM 0 H ALA A 39 1.929 5.975 -0.333 1.00 0.00 H new ATOM 0 HA ALA A 39 4.852 5.786 -0.436 1.00 0.00 H new ATOM 0 HB1 ALA A 39 4.623 3.370 -1.034 1.00 0.00 H new ATOM 0 HB2 ALA A 39 4.056 3.683 0.624 1.00 0.00 H new ATOM 0 HB3 ALA A 39 2.879 3.459 -0.692 1.00 0.00 H new ATOM 623 N GLU A 40 4.650 5.144 -3.012 1.00 0.00 N ATOM 624 CA GLU A 40 4.823 5.416 -4.436 1.00 0.00 C ATOM 625 C GLU A 40 5.205 4.153 -5.227 1.00 0.00 C ATOM 626 O GLU A 40 5.592 3.126 -4.668 1.00 0.00 O ATOM 627 CB GLU A 40 5.926 6.482 -4.613 1.00 0.00 C ATOM 628 CG GLU A 40 5.459 7.891 -4.219 1.00 0.00 C ATOM 629 CD GLU A 40 6.566 8.951 -4.278 1.00 0.00 C ATOM 630 OE1 GLU A 40 7.711 8.591 -4.634 1.00 0.00 O ATOM 631 OE2 GLU A 40 6.259 10.111 -3.928 1.00 0.00 O ATOM 0 H GLU A 40 5.340 4.481 -2.660 1.00 0.00 H new ATOM 0 HA GLU A 40 3.870 5.774 -4.827 1.00 0.00 H new ATOM 0 HB2 GLU A 40 6.790 6.208 -4.008 1.00 0.00 H new ATOM 0 HB3 GLU A 40 6.254 6.490 -5.652 1.00 0.00 H new ATOM 0 HG2 GLU A 40 4.646 8.192 -4.880 1.00 0.00 H new ATOM 0 HG3 GLU A 40 5.053 7.859 -3.208 1.00 0.00 H new ATOM 638 N LEU A 41 5.117 4.285 -6.556 1.00 0.00 N ATOM 639 CA LEU A 41 5.608 3.351 -7.574 1.00 0.00 C ATOM 640 C LEU A 41 6.422 4.122 -8.630 1.00 0.00 C ATOM 641 O LEU A 41 6.651 5.326 -8.510 1.00 0.00 O ATOM 642 CB LEU A 41 4.433 2.588 -8.232 1.00 0.00 C ATOM 643 CG LEU A 41 3.785 1.515 -7.343 1.00 0.00 C ATOM 644 CD1 LEU A 41 2.545 0.929 -8.037 1.00 0.00 C ATOM 645 CD2 LEU A 41 4.755 0.366 -7.025 1.00 0.00 C ATOM 0 H LEU A 41 4.671 5.101 -6.975 1.00 0.00 H new ATOM 0 HA LEU A 41 6.255 2.614 -7.098 1.00 0.00 H new ATOM 0 HB2 LEU A 41 3.669 3.308 -8.524 1.00 0.00 H new ATOM 0 HB3 LEU A 41 4.792 2.115 -9.146 1.00 0.00 H new ATOM 0 HG LEU A 41 3.506 2.003 -6.409 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.095 0.170 -7.397 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.822 1.723 -8.222 1.00 0.00 H new ATOM 0 HD13 LEU A 41 2.838 0.477 -8.985 1.00 0.00 H new ATOM 0 HD21 LEU A 41 4.254 -0.369 -6.394 1.00 0.00 H new ATOM 0 HD22 LEU A 41 5.073 -0.109 -7.953 1.00 0.00 H new ATOM 0 HD23 LEU A 41 5.626 0.760 -6.502 1.00 0.00 H new ATOM 657 N ASN A 42 6.841 3.407 -9.684 1.00 0.00 N ATOM 658 CA ASN A 42 7.549 3.921 -10.859 1.00 0.00 C ATOM 659 C ASN A 42 6.960 5.238 -11.402 1.00 0.00 C ATOM 660 O ASN A 42 7.707 6.149 -11.755 1.00 0.00 O ATOM 661 CB ASN A 42 7.589 2.824 -11.940 1.00 0.00 C ATOM 662 CG ASN A 42 8.391 3.240 -13.174 1.00 0.00 C ATOM 663 OD1 ASN A 42 7.829 3.644 -14.188 1.00 0.00 O ATOM 664 ND2 ASN A 42 9.713 3.138 -13.085 1.00 0.00 N ATOM 0 H ASN A 42 6.685 2.401 -9.740 1.00 0.00 H new ATOM 0 HA ASN A 42 8.565 4.173 -10.554 1.00 0.00 H new ATOM 0 HB2 ASN A 42 8.024 1.919 -11.517 1.00 0.00 H new ATOM 0 HB3 ASN A 42 6.570 2.578 -12.240 1.00 0.00 H new ATOM 0 HD21 ASN A 42 10.299 3.400 -13.877 1.00 0.00 H new ATOM 0 HD22 ASN A 42 10.141 2.798 -12.224 1.00 0.00 H new ATOM 671 N GLY A 43 5.625 5.329 -11.451 1.00 0.00 N ATOM 672 CA GLY A 43 4.894 6.543 -11.807 1.00 0.00 C ATOM 673 C GLY A 43 3.456 6.539 -11.272 1.00 0.00 C ATOM 674 O GLY A 43 2.523 6.802 -12.029 1.00 0.00 O ATOM 0 H GLY A 43 5.013 4.541 -11.239 1.00 0.00 H new ATOM 0 HA2 GLY A 43 5.423 7.411 -11.413 1.00 0.00 H new ATOM 0 HA3 GLY A 43 4.875 6.647 -12.892 1.00 0.00 H new ATOM 678 N LYS A 44 3.283 6.258 -9.969 1.00 0.00 N ATOM 679 CA LYS A 44 2.018 6.376 -9.234 1.00 0.00 C ATOM 680 C LYS A 44 2.285 6.758 -7.766 1.00 0.00 C ATOM 681 O LYS A 44 3.386 6.550 -7.254 1.00 0.00 O ATOM 682 CB LYS A 44 1.188 5.077 -9.303 1.00 0.00 C ATOM 683 CG LYS A 44 0.860 4.596 -10.724 1.00 0.00 C ATOM 684 CD LYS A 44 -0.069 3.371 -10.678 1.00 0.00 C ATOM 685 CE LYS A 44 -0.413 2.845 -12.079 1.00 0.00 C ATOM 686 NZ LYS A 44 0.774 2.321 -12.783 1.00 0.00 N ATOM 0 H LYS A 44 4.049 5.931 -9.380 1.00 0.00 H new ATOM 0 HA LYS A 44 1.436 7.165 -9.711 1.00 0.00 H new ATOM 0 HB2 LYS A 44 1.731 4.287 -8.784 1.00 0.00 H new ATOM 0 HB3 LYS A 44 0.254 5.230 -8.762 1.00 0.00 H new ATOM 0 HG2 LYS A 44 0.384 5.400 -11.285 1.00 0.00 H new ATOM 0 HG3 LYS A 44 1.780 4.342 -11.250 1.00 0.00 H new ATOM 0 HD2 LYS A 44 0.408 2.578 -10.102 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -0.989 3.635 -10.156 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -1.162 2.057 -11.996 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -0.858 3.647 -12.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 0.481 1.885 -13.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 1.435 3.100 -12.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 1.243 1.608 -12.189 1.00 0.00 H new ATOM 700 N ASP A 45 1.260 7.312 -7.100 1.00 0.00 N ATOM 701 CA ASP A 45 1.308 7.873 -5.748 1.00 0.00 C ATOM 702 C ASP A 45 0.003 7.537 -5.000 1.00 0.00 C ATOM 703 O ASP A 45 -1.064 7.524 -5.617 1.00 0.00 O ATOM 704 CB ASP A 45 1.470 9.406 -5.838 1.00 0.00 C ATOM 705 CG ASP A 45 2.700 9.870 -6.627 1.00 0.00 C ATOM 706 OD1 ASP A 45 2.636 9.812 -7.875 1.00 0.00 O ATOM 707 OD2 ASP A 45 3.671 10.305 -5.973 1.00 0.00 O ATOM 0 H ASP A 45 0.330 7.383 -7.514 1.00 0.00 H new ATOM 0 HA ASP A 45 2.152 7.446 -5.207 1.00 0.00 H new ATOM 0 HB2 ASP A 45 0.577 9.826 -6.301 1.00 0.00 H new ATOM 0 HB3 ASP A 45 1.527 9.813 -4.828 1.00 0.00 H new ATOM 712 N GLY A 46 0.068 7.306 -3.675 1.00 0.00 N ATOM 713 CA GLY A 46 -1.124 7.190 -2.828 1.00 0.00 C ATOM 714 C GLY A 46 -0.993 6.217 -1.646 1.00 0.00 C ATOM 715 O GLY A 46 0.107 5.826 -1.257 1.00 0.00 O ATOM 0 H GLY A 46 0.946 7.196 -3.168 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -1.372 8.178 -2.439 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -1.962 6.872 -3.449 1.00 0.00 H new ATOM 719 N PHE A 47 -2.148 5.837 -1.074 1.00 0.00 N ATOM 720 CA PHE A 47 -2.279 5.025 0.136 1.00 0.00 C ATOM 721 C PHE A 47 -2.333 3.520 -0.187 1.00 0.00 C ATOM 722 O PHE A 47 -3.163 3.094 -0.990 1.00 0.00 O ATOM 723 CB PHE A 47 -3.528 5.460 0.925 1.00 0.00 C ATOM 724 CG PHE A 47 -3.407 6.802 1.633 1.00 0.00 C ATOM 725 CD1 PHE A 47 -3.708 8.003 0.953 1.00 0.00 C ATOM 726 CD2 PHE A 47 -2.983 6.851 2.982 1.00 0.00 C ATOM 727 CE1 PHE A 47 -3.602 9.242 1.620 1.00 0.00 C ATOM 728 CE2 PHE A 47 -2.879 8.089 3.650 1.00 0.00 C ATOM 729 CZ PHE A 47 -3.183 9.285 2.967 1.00 0.00 C ATOM 0 H PHE A 47 -3.053 6.102 -1.464 1.00 0.00 H new ATOM 0 HA PHE A 47 -1.393 5.189 0.750 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -4.375 5.503 0.240 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -3.756 4.694 1.667 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -4.020 7.973 -0.080 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -2.738 5.937 3.502 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -3.842 10.158 1.100 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -2.567 8.121 4.683 1.00 0.00 H new ATOM 0 HZ PHE A 47 -3.095 10.234 3.475 1.00 0.00 H new ATOM 739 N ILE A 48 -1.477 2.719 0.469 1.00 0.00 N ATOM 740 CA ILE A 48 -1.401 1.256 0.357 1.00 0.00 C ATOM 741 C ILE A 48 -1.874 0.604 1.665 1.00 0.00 C ATOM 742 O ILE A 48 -1.456 1.063 2.725 1.00 0.00 O ATOM 743 CB ILE A 48 0.047 0.795 0.041 1.00 0.00 C ATOM 744 CG1 ILE A 48 1.037 0.933 1.218 1.00 0.00 C ATOM 745 CG2 ILE A 48 0.579 1.553 -1.178 1.00 0.00 C ATOM 746 CD1 ILE A 48 2.475 0.513 0.886 1.00 0.00 C ATOM 0 H ILE A 48 -0.788 3.093 1.122 1.00 0.00 H new ATOM 0 HA ILE A 48 -2.050 0.946 -0.462 1.00 0.00 H new ATOM 0 HB ILE A 48 -0.021 -0.273 -0.164 1.00 0.00 H new ATOM 0 HG12 ILE A 48 1.042 1.970 1.554 1.00 0.00 H new ATOM 0 HG13 ILE A 48 0.678 0.330 2.052 1.00 0.00 H new ATOM 0 HG21 ILE A 48 1.596 1.225 -1.395 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -0.059 1.351 -2.039 1.00 0.00 H new ATOM 0 HG23 ILE A 48 0.579 2.623 -0.969 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.104 0.641 1.767 1.00 0.00 H new ATOM 0 HD12 ILE A 48 2.487 -0.533 0.581 1.00 0.00 H new ATOM 0 HD13 ILE A 48 2.857 1.132 0.074 1.00 0.00 H new ATOM 758 N PRO A 49 -2.687 -0.469 1.641 1.00 0.00 N ATOM 759 CA PRO A 49 -2.993 -1.268 2.827 1.00 0.00 C ATOM 760 C PRO A 49 -1.708 -1.811 3.485 1.00 0.00 C ATOM 761 O PRO A 49 -0.948 -2.534 2.839 1.00 0.00 O ATOM 762 CB PRO A 49 -3.899 -2.403 2.326 1.00 0.00 C ATOM 763 CG PRO A 49 -4.570 -1.801 1.094 1.00 0.00 C ATOM 764 CD PRO A 49 -3.453 -0.945 0.499 1.00 0.00 C ATOM 0 HA PRO A 49 -3.485 -0.676 3.599 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -3.325 -3.295 2.075 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -4.630 -2.696 3.079 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -4.907 -2.570 0.399 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -5.443 -1.204 1.358 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -2.829 -1.528 -0.178 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -3.859 -0.113 -0.077 1.00 0.00 H new ATOM 772 N LYS A 50 -1.460 -1.459 4.758 1.00 0.00 N ATOM 773 CA LYS A 50 -0.268 -1.841 5.531 1.00 0.00 C ATOM 774 C LYS A 50 0.017 -3.354 5.504 1.00 0.00 C ATOM 775 O LYS A 50 1.177 -3.761 5.460 1.00 0.00 O ATOM 776 CB LYS A 50 -0.426 -1.328 6.975 1.00 0.00 C ATOM 777 CG LYS A 50 0.739 -1.677 7.913 1.00 0.00 C ATOM 778 CD LYS A 50 0.487 -1.059 9.300 1.00 0.00 C ATOM 779 CE LYS A 50 1.638 -1.298 10.288 1.00 0.00 C ATOM 780 NZ LYS A 50 1.876 -2.732 10.537 1.00 0.00 N ATOM 0 H LYS A 50 -2.107 -0.881 5.295 1.00 0.00 H new ATOM 0 HA LYS A 50 0.599 -1.376 5.061 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -0.542 -0.244 6.950 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -1.346 -1.738 7.393 1.00 0.00 H new ATOM 0 HG2 LYS A 50 0.839 -2.759 7.998 1.00 0.00 H new ATOM 0 HG3 LYS A 50 1.676 -1.302 7.501 1.00 0.00 H new ATOM 0 HD2 LYS A 50 0.329 0.014 9.189 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -0.431 -1.475 9.715 1.00 0.00 H new ATOM 0 HE2 LYS A 50 2.549 -0.844 9.898 1.00 0.00 H new ATOM 0 HE3 LYS A 50 1.413 -0.801 11.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 2.627 -2.841 11.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 1.002 -3.173 10.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 2.167 -3.194 9.652 1.00 0.00 H new ATOM 794 N ASN A 51 -1.035 -4.183 5.543 1.00 0.00 N ATOM 795 CA ASN A 51 -0.947 -5.643 5.525 1.00 0.00 C ATOM 796 C ASN A 51 -0.432 -6.202 4.184 1.00 0.00 C ATOM 797 O ASN A 51 0.252 -7.225 4.177 1.00 0.00 O ATOM 798 CB ASN A 51 -2.327 -6.251 5.849 1.00 0.00 C ATOM 799 CG ASN A 51 -2.840 -5.948 7.262 1.00 0.00 C ATOM 800 OD1 ASN A 51 -2.280 -5.136 7.993 1.00 0.00 O ATOM 801 ND2 ASN A 51 -3.927 -6.610 7.659 1.00 0.00 N ATOM 0 H ASN A 51 -1.996 -3.843 5.589 1.00 0.00 H new ATOM 0 HA ASN A 51 -0.219 -5.926 6.285 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -3.053 -5.879 5.125 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -2.273 -7.332 5.720 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -4.312 -6.447 8.589 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -4.374 -7.280 7.032 1.00 0.00 H new ATOM 808 N TYR A 52 -0.773 -5.563 3.052 1.00 0.00 N ATOM 809 CA TYR A 52 -0.543 -6.101 1.706 1.00 0.00 C ATOM 810 C TYR A 52 0.859 -5.795 1.142 1.00 0.00 C ATOM 811 O TYR A 52 1.013 -5.566 -0.058 1.00 0.00 O ATOM 812 CB TYR A 52 -1.678 -5.628 0.776 1.00 0.00 C ATOM 813 CG TYR A 52 -3.107 -6.017 1.148 1.00 0.00 C ATOM 814 CD1 TYR A 52 -3.397 -6.931 2.190 1.00 0.00 C ATOM 815 CD2 TYR A 52 -4.170 -5.474 0.392 1.00 0.00 C ATOM 816 CE1 TYR A 52 -4.734 -7.236 2.513 1.00 0.00 C ATOM 817 CE2 TYR A 52 -5.502 -5.844 0.662 1.00 0.00 C ATOM 818 CZ TYR A 52 -5.785 -6.721 1.730 1.00 0.00 C ATOM 819 OH TYR A 52 -7.067 -7.087 2.005 1.00 0.00 O ATOM 0 H TYR A 52 -1.222 -4.647 3.049 1.00 0.00 H new ATOM 0 HA TYR A 52 -0.563 -7.189 1.771 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -1.631 -4.541 0.715 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -1.475 -6.012 -0.224 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -2.591 -7.396 2.739 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -3.960 -4.770 -0.399 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -4.953 -7.866 3.363 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -6.305 -5.457 0.052 1.00 0.00 H new ATOM 0 HH TYR A 52 -7.507 -7.383 1.181 1.00 0.00 H new ATOM 829 N ILE A 53 1.890 -5.872 1.996 1.00 0.00 N ATOM 830 CA ILE A 53 3.308 -5.822 1.637 1.00 0.00 C ATOM 831 C ILE A 53 4.103 -6.847 2.468 1.00 0.00 C ATOM 832 O ILE A 53 3.645 -7.308 3.514 1.00 0.00 O ATOM 833 CB ILE A 53 3.882 -4.392 1.787 1.00 0.00 C ATOM 834 CG1 ILE A 53 3.668 -3.830 3.205 1.00 0.00 C ATOM 835 CG2 ILE A 53 3.313 -3.447 0.715 1.00 0.00 C ATOM 836 CD1 ILE A 53 4.439 -2.532 3.475 1.00 0.00 C ATOM 0 H ILE A 53 1.748 -5.975 3.001 1.00 0.00 H new ATOM 0 HA ILE A 53 3.406 -6.089 0.585 1.00 0.00 H new ATOM 0 HB ILE A 53 4.959 -4.460 1.632 1.00 0.00 H new ATOM 0 HG12 ILE A 53 2.604 -3.649 3.358 1.00 0.00 H new ATOM 0 HG13 ILE A 53 3.972 -4.581 3.934 1.00 0.00 H new ATOM 0 HG21 ILE A 53 3.735 -2.451 0.847 1.00 0.00 H new ATOM 0 HG22 ILE A 53 3.572 -3.822 -0.275 1.00 0.00 H new ATOM 0 HG23 ILE A 53 2.228 -3.397 0.812 1.00 0.00 H new ATOM 0 HD11 ILE A 53 4.240 -2.195 4.492 1.00 0.00 H new ATOM 0 HD12 ILE A 53 5.507 -2.712 3.355 1.00 0.00 H new ATOM 0 HD13 ILE A 53 4.118 -1.765 2.770 1.00 0.00 H new ATOM 848 N GLU A 54 5.299 -7.203 1.982 1.00 0.00 N ATOM 849 CA GLU A 54 6.208 -8.172 2.586 1.00 0.00 C ATOM 850 C GLU A 54 6.799 -7.606 3.889 1.00 0.00 C ATOM 851 O GLU A 54 6.305 -7.914 4.972 1.00 0.00 O ATOM 852 CB GLU A 54 7.254 -8.584 1.528 1.00 0.00 C ATOM 853 CG GLU A 54 8.343 -9.536 2.048 1.00 0.00 C ATOM 854 CD GLU A 54 7.773 -10.813 2.666 1.00 0.00 C ATOM 855 OE1 GLU A 54 7.519 -11.761 1.891 1.00 0.00 O ATOM 856 OE2 GLU A 54 7.619 -10.827 3.907 1.00 0.00 O ATOM 0 H GLU A 54 5.671 -6.804 1.120 1.00 0.00 H new ATOM 0 HA GLU A 54 5.687 -9.081 2.886 1.00 0.00 H new ATOM 0 HB2 GLU A 54 6.740 -9.061 0.693 1.00 0.00 H new ATOM 0 HB3 GLU A 54 7.731 -7.685 1.137 1.00 0.00 H new ATOM 0 HG2 GLU A 54 9.008 -9.802 1.227 1.00 0.00 H new ATOM 0 HG3 GLU A 54 8.947 -9.017 2.792 1.00 0.00 H new ATOM 863 N MET A 55 7.829 -6.758 3.770 1.00 0.00 N ATOM 864 CA MET A 55 8.439 -5.973 4.844 1.00 0.00 C ATOM 865 C MET A 55 8.854 -6.838 6.048 1.00 0.00 C ATOM 866 O MET A 55 8.149 -6.919 7.055 1.00 0.00 O ATOM 867 CB MET A 55 7.511 -4.808 5.224 1.00 0.00 C ATOM 868 CG MET A 55 8.161 -3.813 6.197 1.00 0.00 C ATOM 869 SD MET A 55 7.106 -2.411 6.653 1.00 0.00 S ATOM 870 CE MET A 55 8.119 -1.681 7.964 1.00 0.00 C ATOM 0 H MET A 55 8.282 -6.594 2.871 1.00 0.00 H new ATOM 0 HA MET A 55 9.374 -5.549 4.476 1.00 0.00 H new ATOM 0 HB2 MET A 55 7.212 -4.279 4.319 1.00 0.00 H new ATOM 0 HB3 MET A 55 6.602 -5.207 5.675 1.00 0.00 H new ATOM 0 HG2 MET A 55 8.448 -4.346 7.104 1.00 0.00 H new ATOM 0 HG3 MET A 55 9.078 -3.431 5.748 1.00 0.00 H new ATOM 0 HE1 MET A 55 7.618 -0.799 8.363 1.00 0.00 H new ATOM 0 HE2 MET A 55 8.261 -2.409 8.762 1.00 0.00 H new ATOM 0 HE3 MET A 55 9.089 -1.394 7.557 1.00 0.00 H new ATOM 937 N PRO B 3 -8.171 -11.487 1.271 1.00 0.00 N ATOM 938 CA PRO B 3 -7.869 -10.973 2.609 1.00 0.00 C ATOM 939 C PRO B 3 -8.722 -9.748 3.007 1.00 0.00 C ATOM 940 O PRO B 3 -9.185 -9.014 2.132 1.00 0.00 O ATOM 941 CB PRO B 3 -6.377 -10.608 2.582 1.00 0.00 C ATOM 942 CG PRO B 3 -5.802 -11.496 1.483 1.00 0.00 C ATOM 943 CD PRO B 3 -6.951 -11.564 0.476 1.00 0.00 C ATOM 0 HA PRO B 3 -8.106 -11.729 3.358 1.00 0.00 H new ATOM 0 HB2 PRO B 3 -6.228 -9.551 2.360 1.00 0.00 H new ATOM 0 HB3 PRO B 3 -5.901 -10.802 3.543 1.00 0.00 H new ATOM 0 HG2 PRO B 3 -4.902 -11.066 1.043 1.00 0.00 H new ATOM 0 HG3 PRO B 3 -5.533 -12.483 1.859 1.00 0.00 H new ATOM 0 HD2 PRO B 3 -6.896 -10.743 -0.238 1.00 0.00 H new ATOM 0 HD3 PRO B 3 -6.915 -12.489 -0.099 1.00 0.00 H new ATOM 951 N PRO B 4 -8.916 -9.498 4.317 1.00 0.00 N ATOM 952 CA PRO B 4 -9.621 -8.325 4.826 1.00 0.00 C ATOM 953 C PRO B 4 -8.726 -7.075 4.744 1.00 0.00 C ATOM 954 O PRO B 4 -7.588 -7.090 5.215 1.00 0.00 O ATOM 955 CB PRO B 4 -9.980 -8.677 6.276 1.00 0.00 C ATOM 956 CG PRO B 4 -8.832 -9.594 6.704 1.00 0.00 C ATOM 957 CD PRO B 4 -8.502 -10.358 5.419 1.00 0.00 C ATOM 0 HA PRO B 4 -10.511 -8.088 4.244 1.00 0.00 H new ATOM 0 HB2 PRO B 4 -10.041 -7.788 6.903 1.00 0.00 H new ATOM 0 HB3 PRO B 4 -10.944 -9.181 6.342 1.00 0.00 H new ATOM 0 HG2 PRO B 4 -7.975 -9.026 7.067 1.00 0.00 H new ATOM 0 HG3 PRO B 4 -9.131 -10.267 7.508 1.00 0.00 H new ATOM 0 HD2 PRO B 4 -7.436 -10.580 5.361 1.00 0.00 H new ATOM 0 HD3 PRO B 4 -9.028 -11.312 5.387 1.00 0.00 H new ATOM 965 N VAL B 5 -9.246 -5.988 4.155 1.00 0.00 N ATOM 966 CA VAL B 5 -8.557 -4.702 4.035 1.00 0.00 C ATOM 967 C VAL B 5 -8.670 -3.938 5.376 1.00 0.00 C ATOM 968 O VAL B 5 -9.792 -3.735 5.845 1.00 0.00 O ATOM 969 CB VAL B 5 -9.158 -3.871 2.875 1.00 0.00 C ATOM 970 CG1 VAL B 5 -8.304 -2.618 2.626 1.00 0.00 C ATOM 971 CG2 VAL B 5 -9.253 -4.634 1.542 1.00 0.00 C ATOM 0 H VAL B 5 -10.178 -5.982 3.741 1.00 0.00 H new ATOM 0 HA VAL B 5 -7.504 -4.874 3.810 1.00 0.00 H new ATOM 0 HB VAL B 5 -10.170 -3.622 3.195 1.00 0.00 H new ATOM 0 HG11 VAL B 5 -8.735 -2.040 1.808 1.00 0.00 H new ATOM 0 HG12 VAL B 5 -8.281 -2.008 3.529 1.00 0.00 H new ATOM 0 HG13 VAL B 5 -7.289 -2.916 2.364 1.00 0.00 H new ATOM 0 HG21 VAL B 5 -9.684 -3.984 0.781 1.00 0.00 H new ATOM 0 HG22 VAL B 5 -8.257 -4.947 1.230 1.00 0.00 H new ATOM 0 HG23 VAL B 5 -9.886 -5.512 1.670 1.00 0.00 H new ATOM 981 N PRO B 6 -7.557 -3.491 5.998 1.00 0.00 N ATOM 982 CA PRO B 6 -7.561 -2.649 7.202 1.00 0.00 C ATOM 983 C PRO B 6 -8.433 -1.378 7.089 1.00 0.00 C ATOM 984 O PRO B 6 -8.730 -0.945 5.974 1.00 0.00 O ATOM 985 CB PRO B 6 -6.091 -2.268 7.439 1.00 0.00 C ATOM 986 CG PRO B 6 -5.328 -3.443 6.836 1.00 0.00 C ATOM 987 CD PRO B 6 -6.187 -3.812 5.626 1.00 0.00 C ATOM 0 HA PRO B 6 -8.003 -3.205 8.028 1.00 0.00 H new ATOM 0 HB2 PRO B 6 -5.835 -1.328 6.951 1.00 0.00 H new ATOM 0 HB3 PRO B 6 -5.872 -2.147 8.500 1.00 0.00 H new ATOM 0 HG2 PRO B 6 -4.316 -3.162 6.544 1.00 0.00 H new ATOM 0 HG3 PRO B 6 -5.239 -4.272 7.538 1.00 0.00 H new ATOM 0 HD2 PRO B 6 -5.880 -3.251 4.743 1.00 0.00 H new ATOM 0 HD3 PRO B 6 -6.086 -4.870 5.383 1.00 0.00 H new ATOM 995 N PRO B 7 -8.810 -0.741 8.220 1.00 0.00 N ATOM 996 CA PRO B 7 -9.517 0.542 8.247 1.00 0.00 C ATOM 997 C PRO B 7 -8.847 1.594 7.348 1.00 0.00 C ATOM 998 O PRO B 7 -7.636 1.795 7.437 1.00 0.00 O ATOM 999 CB PRO B 7 -9.537 0.977 9.718 1.00 0.00 C ATOM 1000 CG PRO B 7 -9.485 -0.352 10.468 1.00 0.00 C ATOM 1001 CD PRO B 7 -8.574 -1.203 9.582 1.00 0.00 C ATOM 0 HA PRO B 7 -10.527 0.439 7.850 1.00 0.00 H new ATOM 0 HB2 PRO B 7 -8.686 1.613 9.963 1.00 0.00 H new ATOM 0 HB3 PRO B 7 -10.437 1.542 9.960 1.00 0.00 H new ATOM 0 HG2 PRO B 7 -9.078 -0.234 11.472 1.00 0.00 H new ATOM 0 HG3 PRO B 7 -10.475 -0.796 10.575 1.00 0.00 H new ATOM 0 HD2 PRO B 7 -7.528 -1.079 9.862 1.00 0.00 H new ATOM 0 HD3 PRO B 7 -8.808 -2.263 9.683 1.00 0.00 H new ATOM 1009 N ARG B 8 -9.631 2.235 6.468 1.00 0.00 N ATOM 1010 CA ARG B 8 -9.150 3.102 5.392 1.00 0.00 C ATOM 1011 C ARG B 8 -8.168 4.192 5.856 1.00 0.00 C ATOM 1012 O ARG B 8 -7.030 4.238 5.387 1.00 0.00 O ATOM 1013 CB ARG B 8 -10.345 3.657 4.591 1.00 0.00 C ATOM 1014 CG ARG B 8 -9.941 4.621 3.461 1.00 0.00 C ATOM 1015 CD ARG B 8 -8.964 4.012 2.442 1.00 0.00 C ATOM 1016 NE ARG B 8 -8.394 5.049 1.566 1.00 0.00 N ATOM 1017 CZ ARG B 8 -7.245 5.721 1.762 1.00 0.00 C ATOM 1018 NH1 ARG B 8 -6.445 5.477 2.808 1.00 0.00 N ATOM 1019 NH2 ARG B 8 -6.880 6.668 0.896 1.00 0.00 N ATOM 0 H ARG B 8 -10.648 2.159 6.490 1.00 0.00 H new ATOM 0 HA ARG B 8 -8.548 2.487 4.723 1.00 0.00 H new ATOM 0 HB2 ARG B 8 -10.902 2.824 4.163 1.00 0.00 H new ATOM 0 HB3 ARG B 8 -11.019 4.174 5.274 1.00 0.00 H new ATOM 0 HG2 ARG B 8 -10.839 4.948 2.938 1.00 0.00 H new ATOM 0 HG3 ARG B 8 -9.486 5.509 3.900 1.00 0.00 H new ATOM 0 HD2 ARG B 8 -8.161 3.495 2.968 1.00 0.00 H new ATOM 0 HD3 ARG B 8 -9.482 3.267 1.838 1.00 0.00 H new ATOM 0 HE ARG B 8 -8.924 5.281 0.726 1.00 0.00 H new ATOM 0 HH11 ARG B 8 -6.700 4.761 3.489 1.00 0.00 H new ATOM 0 HH12 ARG B 8 -5.581 6.007 2.924 1.00 0.00 H new ATOM 0 HH21 ARG B 8 -7.471 6.879 0.092 1.00 0.00 H new ATOM 0 HH22 ARG B 8 -6.010 7.181 1.038 1.00 0.00 H new ATOM 1033 N ARG B 9 -8.622 5.061 6.766 1.00 0.00 N ATOM 1034 CA ARG B 9 -7.826 6.107 7.413 1.00 0.00 C ATOM 1035 C ARG B 9 -8.164 6.168 8.911 1.00 0.00 C ATOM 1036 O ARG B 9 -8.786 7.123 9.377 1.00 0.00 O ATOM 1037 CB ARG B 9 -7.998 7.463 6.699 1.00 0.00 C ATOM 1038 CG ARG B 9 -7.368 7.457 5.294 1.00 0.00 C ATOM 1039 CD ARG B 9 -7.106 8.870 4.759 1.00 0.00 C ATOM 1040 NE ARG B 9 -5.987 9.498 5.479 1.00 0.00 N ATOM 1041 CZ ARG B 9 -5.461 10.710 5.241 1.00 0.00 C ATOM 1042 NH1 ARG B 9 -5.976 11.520 4.310 1.00 0.00 N ATOM 1043 NH2 ARG B 9 -4.399 11.113 5.943 1.00 0.00 N ATOM 0 H ARG B 9 -9.591 5.054 7.083 1.00 0.00 H new ATOM 0 HA ARG B 9 -6.768 5.859 7.328 1.00 0.00 H new ATOM 0 HB2 ARG B 9 -9.059 7.699 6.620 1.00 0.00 H new ATOM 0 HB3 ARG B 9 -7.540 8.250 7.299 1.00 0.00 H new ATOM 0 HG2 ARG B 9 -6.429 6.904 5.323 1.00 0.00 H new ATOM 0 HG3 ARG B 9 -8.028 6.929 4.606 1.00 0.00 H new ATOM 0 HD2 ARG B 9 -6.880 8.825 3.694 1.00 0.00 H new ATOM 0 HD3 ARG B 9 -8.004 9.479 4.869 1.00 0.00 H new ATOM 0 HE ARG B 9 -5.568 8.958 6.236 1.00 0.00 H new ATOM 0 HH11 ARG B 9 -6.784 11.221 3.764 1.00 0.00 H new ATOM 0 HH12 ARG B 9 -5.561 12.437 4.146 1.00 0.00 H new ATOM 0 HH21 ARG B 9 -3.995 10.502 6.653 1.00 0.00 H new ATOM 0 HH22 ARG B 9 -3.992 12.032 5.770 1.00 0.00 H new ATOM 1057 N ARG B 10 -7.737 5.142 9.662 1.00 0.00 N ATOM 1058 CA ARG B 10 -7.867 5.052 11.115 1.00 0.00 C ATOM 1059 C ARG B 10 -6.822 4.068 11.669 1.00 0.00 C ATOM 1060 O ARG B 10 -6.004 4.509 12.509 1.00 0.00 O ATOM 1061 CB ARG B 10 -9.312 4.659 11.494 1.00 0.00 C ATOM 1062 CG ARG B 10 -9.576 4.430 12.997 1.00 0.00 C ATOM 1063 CD ARG B 10 -9.304 5.656 13.884 1.00 0.00 C ATOM 1064 NE ARG B 10 -7.859 5.875 14.053 1.00 0.00 N ATOM 1065 CZ ARG B 10 -7.227 7.031 14.298 1.00 0.00 C ATOM 1066 NH1 ARG B 10 -7.891 8.132 14.665 1.00 0.00 N ATOM 1067 NH2 ARG B 10 -5.900 7.075 14.156 1.00 0.00 N ATOM 1068 OXT ARG B 10 -6.866 2.887 11.259 1.00 0.00 O ATOM 0 H ARG B 10 -7.277 4.327 9.256 1.00 0.00 H new ATOM 0 HA ARG B 10 -7.672 6.024 11.569 1.00 0.00 H new ATOM 0 HB2 ARG B 10 -9.985 5.441 11.142 1.00 0.00 H new ATOM 0 HB3 ARG B 10 -9.573 3.748 10.956 1.00 0.00 H new ATOM 0 HG2 ARG B 10 -10.614 4.125 13.129 1.00 0.00 H new ATOM 0 HG3 ARG B 10 -8.955 3.603 13.341 1.00 0.00 H new ATOM 0 HD2 ARG B 10 -9.760 6.540 13.438 1.00 0.00 H new ATOM 0 HD3 ARG B 10 -9.770 5.514 14.859 1.00 0.00 H new ATOM 0 HE ARG B 10 -7.267 5.048 13.974 1.00 0.00 H new ATOM 0 HH11 ARG B 10 -8.906 8.106 14.765 1.00 0.00 H new ATOM 0 HH12 ARG B 10 -7.383 8.998 14.845 1.00 0.00 H new ATOM 0 HH21 ARG B 10 -5.390 6.240 13.867 1.00 0.00 H new ATOM 0 HH22 ARG B 10 -5.396 7.943 14.337 1.00 0.00 H new