USER MOD reduce.3.24.130724 H: found=0, std=0, add=933, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 933 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 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 168:sc= -0.135 (180deg=-0.515) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= -0.436 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 ASN : amide:sc= -0.22 X(o=-0.22,f=0) USER MOD Single : A 40 ASN : amide:sc= -2.65 K(o=-2.6,f=-9.4!) USER MOD Single : A 41 GLN : amide:sc= -0.0757 K(o=-0.076,f=-0.92) USER MOD Single : A 43 GLN : amide:sc= -1.37 X(o=-1.4,f=-1.2) USER MOD Single : A 44 ASN : amide:sc= -1.63 K(o=-1.6,f=-2.9!) USER MOD Single : A 50 ASN : amide:sc= -0.0247 K(o=-0.025,f=-2.3!) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.763 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 123:sc= 0.00353 USER MOD Single : A 71 GLN : amide:sc= -0.0106 X(o=-0.011,f=0) USER MOD Single : A 76 SER OG : rot -170:sc= -0.807 USER MOD Single : A 81 GLN : amide:sc= -1.17 K(o=-1.2,f=-2.4!) USER MOD Single : A 84 HIS : no HD1:sc= -0.384 K(o=-0.38,f=-1.6) USER MOD Single : A 87 TYR OH : rot 155:sc= -3.32! USER MOD Single : A 88 MET CE :methyl -149:sc= -0.305 (180deg=-1.08) USER MOD Single : A 98 THR OG1 : rot 90:sc= -0.432 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 109 THR OG1 : rot 70:sc= 1.07 USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 GLN : amide:sc= -0.0245 K(o=-0.025,f=-1.3) USER MOD Single : A 115 THR OG1 : rot 97:sc= 1.29 USER MOD Single : A 116 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 40 N GLU A 4 -2.707 -3.534 -5.260 1.00 74.53 N ATOM 41 CA GLU A 4 -3.927 -3.473 -6.058 1.00 44.43 C ATOM 42 C GLU A 4 -4.623 -4.829 -6.092 1.00 72.00 C ATOM 43 O GLU A 4 -5.848 -4.909 -6.206 1.00 41.22 O ATOM 44 CB GLU A 4 -3.606 -3.016 -7.484 1.00 55.41 C ATOM 45 CG GLU A 4 -4.783 -3.132 -8.438 1.00 51.52 C ATOM 46 CD GLU A 4 -4.447 -2.659 -9.839 1.00 0.52 C ATOM 47 OE1 GLU A 4 -3.554 -1.797 -9.976 1.00 52.33 O1- ATOM 48 OE2 GLU A 4 -5.078 -3.151 -10.798 1.00 44.14 O ATOM 0 HA GLU A 4 -4.599 -2.751 -5.594 1.00 44.43 H new ATOM 0 HB2 GLU A 4 -3.271 -1.979 -7.458 1.00 55.41 H new ATOM 0 HB3 GLU A 4 -2.777 -3.609 -7.869 1.00 55.41 H new ATOM 0 HG2 GLU A 4 -5.112 -4.170 -8.478 1.00 51.52 H new ATOM 0 HG3 GLU A 4 -5.618 -2.548 -8.052 1.00 51.52 H new ATOM 55 N LEU A 5 -3.837 -5.895 -5.992 1.00 43.24 N ATOM 56 CA LEU A 5 -4.377 -7.250 -6.012 1.00 13.32 C ATOM 57 C LEU A 5 -5.464 -7.417 -4.953 1.00 63.44 C ATOM 58 O LEU A 5 -6.439 -8.142 -5.159 1.00 51.25 O ATOM 59 CB LEU A 5 -3.261 -8.269 -5.778 1.00 63.32 C ATOM 60 CG LEU A 5 -2.737 -8.376 -4.346 1.00 2.52 C ATOM 61 CD1 LEU A 5 -1.907 -9.638 -4.173 1.00 32.23 C ATOM 62 CD2 LEU A 5 -1.919 -7.143 -3.984 1.00 74.41 C ATOM 0 H LEU A 5 -2.823 -5.847 -5.896 1.00 43.24 H new ATOM 0 HA LEU A 5 -4.819 -7.425 -6.993 1.00 13.32 H new ATOM 0 HB2 LEU A 5 -3.623 -9.250 -6.085 1.00 63.32 H new ATOM 0 HB3 LEU A 5 -2.425 -8.018 -6.431 1.00 63.32 H new ATOM 0 HG LEU A 5 -3.591 -8.433 -3.671 1.00 2.52 H new ATOM 0 HD11 LEU A 5 -1.543 -9.696 -3.147 1.00 32.23 H new ATOM 0 HD12 LEU A 5 -2.523 -10.511 -4.390 1.00 32.23 H new ATOM 0 HD13 LEU A 5 -1.059 -9.613 -4.858 1.00 32.23 H new ATOM 0 HD21 LEU A 5 -1.554 -7.236 -2.961 1.00 74.41 H new ATOM 0 HD22 LEU A 5 -1.072 -7.055 -4.665 1.00 74.41 H new ATOM 0 HD23 LEU A 5 -2.545 -6.254 -4.066 1.00 74.41 H new ATOM 74 N LEU A 6 -5.289 -6.744 -3.823 1.00 10.52 N ATOM 75 CA LEU A 6 -6.256 -6.816 -2.732 1.00 13.21 C ATOM 76 C LEU A 6 -7.633 -6.351 -3.194 1.00 51.12 C ATOM 77 O LEU A 6 -8.647 -6.979 -2.887 1.00 73.12 O ATOM 78 CB LEU A 6 -5.788 -5.964 -1.551 1.00 44.03 C ATOM 79 CG LEU A 6 -4.404 -6.297 -0.991 1.00 1.52 C ATOM 80 CD1 LEU A 6 -4.051 -5.356 0.151 1.00 31.20 C ATOM 81 CD2 LEU A 6 -4.352 -7.745 -0.527 1.00 22.10 C ATOM 0 H LEU A 6 -4.487 -6.142 -3.637 1.00 10.52 H new ATOM 0 HA LEU A 6 -6.331 -7.856 -2.414 1.00 13.21 H new ATOM 0 HB2 LEU A 6 -5.792 -4.918 -1.859 1.00 44.03 H new ATOM 0 HB3 LEU A 6 -6.517 -6.062 -0.746 1.00 44.03 H new ATOM 0 HG LEU A 6 -3.669 -6.164 -1.785 1.00 1.52 H new ATOM 0 HD11 LEU A 6 -3.063 -5.607 0.537 1.00 31.20 H new ATOM 0 HD12 LEU A 6 -4.048 -4.328 -0.212 1.00 31.20 H new ATOM 0 HD13 LEU A 6 -4.789 -5.457 0.947 1.00 31.20 H new ATOM 0 HD21 LEU A 6 -3.360 -7.965 -0.132 1.00 22.10 H new ATOM 0 HD22 LEU A 6 -5.097 -7.904 0.252 1.00 22.10 H new ATOM 0 HD23 LEU A 6 -4.561 -8.405 -1.369 1.00 22.10 H new ATOM 93 N ASP A 7 -7.663 -5.250 -3.936 1.00 4.52 N ATOM 94 CA ASP A 7 -8.916 -4.702 -4.443 1.00 25.12 C ATOM 95 C ASP A 7 -9.402 -5.491 -5.655 1.00 33.21 C ATOM 96 O ASP A 7 -10.603 -5.576 -5.912 1.00 24.02 O ATOM 97 CB ASP A 7 -8.739 -3.229 -4.816 1.00 34.32 C ATOM 98 CG ASP A 7 -10.055 -2.477 -4.839 1.00 10.52 C ATOM 99 OD1 ASP A 7 -11.115 -3.136 -4.860 1.00 22.32 O1- ATOM 100 OD2 ASP A 7 -10.024 -1.228 -4.836 1.00 34.22 O ATOM 0 H ASP A 7 -6.833 -4.719 -4.200 1.00 4.52 H new ATOM 0 HA ASP A 7 -9.665 -4.782 -3.655 1.00 25.12 H new ATOM 0 HB2 ASP A 7 -8.065 -2.755 -4.103 1.00 34.32 H new ATOM 0 HB3 ASP A 7 -8.267 -3.159 -5.796 1.00 34.32 H new ATOM 105 N ALA A 8 -8.461 -6.067 -6.396 1.00 74.43 N ATOM 106 CA ALA A 8 -8.794 -6.851 -7.579 1.00 44.45 C ATOM 107 C ALA A 8 -9.785 -7.960 -7.243 1.00 72.11 C ATOM 108 O ALA A 8 -10.748 -8.189 -7.975 1.00 71.43 O ATOM 109 CB ALA A 8 -7.532 -7.437 -8.196 1.00 72.11 C ATOM 0 H ALA A 8 -7.462 -6.005 -6.198 1.00 74.43 H new ATOM 0 HA ALA A 8 -9.265 -6.187 -8.303 1.00 44.45 H new ATOM 0 HB1 ALA A 8 -7.795 -8.020 -9.078 1.00 72.11 H new ATOM 0 HB2 ALA A 8 -6.858 -6.629 -8.482 1.00 72.11 H new ATOM 0 HB3 ALA A 8 -7.037 -8.082 -7.470 1.00 72.11 H new ATOM 115 N LEU A 9 -9.543 -8.646 -6.131 1.00 65.10 N ATOM 116 CA LEU A 9 -10.414 -9.732 -5.698 1.00 30.43 C ATOM 117 C LEU A 9 -11.805 -9.210 -5.350 1.00 2.51 C ATOM 118 O LEU A 9 -12.815 -9.766 -5.780 1.00 14.11 O ATOM 119 CB LEU A 9 -9.808 -10.447 -4.488 1.00 54.45 C ATOM 120 CG LEU A 9 -8.334 -10.836 -4.608 1.00 52.20 C ATOM 121 CD1 LEU A 9 -7.711 -10.997 -3.231 1.00 21.41 C ATOM 122 CD2 LEU A 9 -8.184 -12.116 -5.417 1.00 32.24 C ATOM 0 H LEU A 9 -8.751 -8.469 -5.513 1.00 65.10 H new ATOM 0 HA LEU A 9 -10.507 -10.440 -6.522 1.00 30.43 H new ATOM 0 HB2 LEU A 9 -9.924 -9.804 -3.616 1.00 54.45 H new ATOM 0 HB3 LEU A 9 -10.387 -11.350 -4.297 1.00 54.45 H new ATOM 0 HG LEU A 9 -7.808 -10.037 -5.130 1.00 52.20 H new ATOM 0 HD11 LEU A 9 -6.662 -11.274 -3.336 1.00 21.41 H new ATOM 0 HD12 LEU A 9 -7.785 -10.056 -2.686 1.00 21.41 H new ATOM 0 HD13 LEU A 9 -8.239 -11.777 -2.682 1.00 21.41 H new ATOM 0 HD21 LEU A 9 -7.128 -12.377 -5.492 1.00 32.24 H new ATOM 0 HD22 LEU A 9 -8.724 -12.924 -4.923 1.00 32.24 H new ATOM 0 HD23 LEU A 9 -8.592 -11.965 -6.416 1.00 32.24 H new ATOM 134 N THR A 10 -11.849 -8.135 -4.568 1.00 42.42 N ATOM 135 CA THR A 10 -13.114 -7.536 -4.163 1.00 45.22 C ATOM 136 C THR A 10 -14.005 -7.264 -5.370 1.00 33.22 C ATOM 137 O THR A 10 -15.207 -7.528 -5.336 1.00 71.53 O ATOM 138 CB THR A 10 -12.892 -6.219 -3.397 1.00 10.42 C ATOM 139 OG1 THR A 10 -12.120 -6.463 -2.215 1.00 72.25 O ATOM 140 CG2 THR A 10 -14.221 -5.582 -3.017 1.00 62.04 C ATOM 0 H THR A 10 -11.022 -7.662 -4.203 1.00 42.42 H new ATOM 0 HA THR A 10 -13.606 -8.252 -3.505 1.00 45.22 H new ATOM 0 HB THR A 10 -12.351 -5.533 -4.049 1.00 10.42 H new ATOM 0 HG1 THR A 10 -11.982 -5.620 -1.735 1.00 72.25 H new ATOM 0 HG21 THR A 10 -14.038 -4.653 -2.477 1.00 62.04 H new ATOM 0 HG22 THR A 10 -14.794 -5.370 -3.920 1.00 62.04 H new ATOM 0 HG23 THR A 10 -14.784 -6.266 -2.382 1.00 62.04 H new ATOM 148 N ILE A 11 -13.408 -6.736 -6.433 1.00 32.10 N ATOM 149 CA ILE A 11 -14.149 -6.431 -7.651 1.00 21.23 C ATOM 150 C ILE A 11 -14.879 -7.664 -8.174 1.00 62.33 C ATOM 151 O ILE A 11 -15.973 -7.561 -8.731 1.00 65.32 O ATOM 152 CB ILE A 11 -13.220 -5.891 -8.754 1.00 71.24 C ATOM 153 CG1 ILE A 11 -12.519 -4.616 -8.282 1.00 53.43 C ATOM 154 CG2 ILE A 11 -14.009 -5.629 -10.029 1.00 64.41 C ATOM 155 CD1 ILE A 11 -11.119 -4.457 -8.832 1.00 14.01 C ATOM 0 H ILE A 11 -12.414 -6.511 -6.476 1.00 32.10 H new ATOM 0 HA ILE A 11 -14.878 -5.663 -7.393 1.00 21.23 H new ATOM 0 HB ILE A 11 -12.460 -6.642 -8.969 1.00 71.24 H new ATOM 0 HG12 ILE A 11 -13.116 -3.753 -8.576 1.00 53.43 H new ATOM 0 HG13 ILE A 11 -12.475 -4.617 -7.193 1.00 53.43 H new ATOM 0 HG21 ILE A 11 -13.339 -5.248 -10.800 1.00 64.41 H new ATOM 0 HG22 ILE A 11 -14.465 -6.558 -10.372 1.00 64.41 H new ATOM 0 HG23 ILE A 11 -14.789 -4.894 -9.830 1.00 64.41 H new ATOM 0 HD11 ILE A 11 -10.683 -3.532 -8.456 1.00 14.01 H new ATOM 0 HD12 ILE A 11 -10.506 -5.301 -8.517 1.00 14.01 H new ATOM 0 HD13 ILE A 11 -11.157 -4.423 -9.921 1.00 14.01 H new ATOM 167 N LEU A 12 -14.267 -8.829 -7.989 1.00 75.15 N ATOM 168 CA LEU A 12 -14.859 -10.083 -8.442 1.00 35.45 C ATOM 169 C LEU A 12 -16.053 -10.466 -7.572 1.00 52.41 C ATOM 170 O LEU A 12 -16.965 -11.158 -8.024 1.00 23.30 O ATOM 171 CB LEU A 12 -13.815 -11.201 -8.414 1.00 52.11 C ATOM 172 CG LEU A 12 -12.449 -10.858 -9.008 1.00 0.22 C ATOM 173 CD1 LEU A 12 -11.524 -12.064 -8.953 1.00 0.53 C ATOM 174 CD2 LEU A 12 -12.598 -10.363 -10.439 1.00 60.44 C ATOM 0 H LEU A 12 -13.362 -8.931 -7.529 1.00 75.15 H new ATOM 0 HA LEU A 12 -15.207 -9.944 -9.465 1.00 35.45 H new ATOM 0 HB2 LEU A 12 -13.671 -11.511 -7.379 1.00 52.11 H new ATOM 0 HB3 LEU A 12 -14.217 -12.060 -8.951 1.00 52.11 H new ATOM 0 HG LEU A 12 -12.006 -10.059 -8.413 1.00 0.22 H new ATOM 0 HD11 LEU A 12 -10.557 -11.800 -9.380 1.00 0.53 H new ATOM 0 HD12 LEU A 12 -11.391 -12.373 -7.916 1.00 0.53 H new ATOM 0 HD13 LEU A 12 -11.961 -12.884 -9.523 1.00 0.53 H new ATOM 0 HD21 LEU A 12 -11.615 -10.124 -10.845 1.00 60.44 H new ATOM 0 HD22 LEU A 12 -13.062 -11.140 -11.046 1.00 60.44 H new ATOM 0 HD23 LEU A 12 -13.223 -9.470 -10.452 1.00 60.44 H new ATOM 186 N GLU A 13 -16.041 -10.009 -6.324 1.00 2.20 N ATOM 187 CA GLU A 13 -17.123 -10.303 -5.393 1.00 73.44 C ATOM 188 C GLU A 13 -18.465 -9.837 -5.953 1.00 24.32 C ATOM 189 O GLU A 13 -19.481 -10.517 -5.810 1.00 32.15 O ATOM 190 CB GLU A 13 -16.861 -9.632 -4.043 1.00 53.14 C ATOM 191 CG GLU A 13 -17.470 -10.375 -2.866 1.00 32.32 C ATOM 192 CD GLU A 13 -17.225 -9.674 -1.544 1.00 22.03 C ATOM 193 OE1 GLU A 13 -17.285 -8.428 -1.512 1.00 5.24 O ATOM 194 OE2 GLU A 13 -16.972 -10.373 -0.540 1.00 34.44 O1- ATOM 0 H GLU A 13 -15.294 -9.434 -5.935 1.00 2.20 H new ATOM 0 HA GLU A 13 -17.163 -11.383 -5.252 1.00 73.44 H new ATOM 0 HB2 GLU A 13 -15.785 -9.548 -3.891 1.00 53.14 H new ATOM 0 HB3 GLU A 13 -17.260 -8.618 -4.067 1.00 53.14 H new ATOM 0 HG2 GLU A 13 -18.543 -10.480 -3.024 1.00 32.32 H new ATOM 0 HG3 GLU A 13 -17.054 -11.382 -2.822 1.00 32.32 H new ATOM 201 N LYS A 14 -18.459 -8.673 -6.592 1.00 41.41 N ATOM 202 CA LYS A 14 -19.673 -8.114 -7.176 1.00 53.15 C ATOM 203 C LYS A 14 -20.360 -9.132 -8.081 1.00 32.03 C ATOM 204 O LYS A 14 -21.584 -9.258 -8.070 1.00 33.02 O ATOM 205 CB LYS A 14 -19.345 -6.848 -7.971 1.00 52.04 C ATOM 206 CG LYS A 14 -20.557 -5.976 -8.255 1.00 23.23 C ATOM 207 CD LYS A 14 -21.048 -5.280 -6.996 1.00 74.34 C ATOM 208 CE LYS A 14 -20.152 -4.111 -6.621 1.00 0.54 C ATOM 209 NZ LYS A 14 -20.877 -3.095 -5.807 1.00 44.11 N1+ ATOM 0 H LYS A 14 -17.627 -8.097 -6.719 1.00 41.41 H new ATOM 0 HA LYS A 14 -20.353 -7.859 -6.363 1.00 53.15 H new ATOM 0 HB2 LYS A 14 -18.609 -6.263 -7.419 1.00 52.04 H new ATOM 0 HB3 LYS A 14 -18.883 -7.132 -8.916 1.00 52.04 H new ATOM 0 HG2 LYS A 14 -20.302 -5.231 -9.008 1.00 23.23 H new ATOM 0 HG3 LYS A 14 -21.358 -6.588 -8.670 1.00 23.23 H new ATOM 0 HD2 LYS A 14 -22.067 -4.924 -7.149 1.00 74.34 H new ATOM 0 HD3 LYS A 14 -21.080 -5.994 -6.173 1.00 74.34 H new ATOM 0 HE2 LYS A 14 -19.291 -4.478 -6.062 1.00 0.54 H new ATOM 0 HE3 LYS A 14 -19.767 -3.643 -7.527 1.00 0.54 H new ATOM 0 HZ1 LYS A 14 -20.232 -2.314 -5.572 1.00 44.11 H new ATOM 0 HZ2 LYS A 14 -21.683 -2.726 -6.350 1.00 44.11 H new ATOM 0 HZ3 LYS A 14 -21.222 -3.535 -4.930 1.00 44.11 H new ATOM 223 N GLU A 15 -19.564 -9.856 -8.861 1.00 31.13 N ATOM 224 CA GLU A 15 -20.098 -10.863 -9.771 1.00 10.21 C ATOM 225 C GLU A 15 -20.849 -11.946 -9.002 1.00 74.31 C ATOM 226 O GLU A 15 -20.988 -11.875 -7.781 1.00 23.34 O ATOM 227 CB GLU A 15 -18.969 -11.493 -10.588 1.00 45.25 C ATOM 228 CG GLU A 15 -18.489 -10.622 -11.737 1.00 55.15 C ATOM 229 CD GLU A 15 -17.966 -9.277 -11.271 1.00 24.20 C ATOM 230 OE1 GLU A 15 -17.265 -9.241 -10.238 1.00 1.53 O ATOM 231 OE2 GLU A 15 -18.256 -8.263 -11.938 1.00 50.25 O1- ATOM 0 H GLU A 15 -18.548 -9.764 -8.881 1.00 31.13 H new ATOM 0 HA GLU A 15 -20.796 -10.371 -10.448 1.00 10.21 H new ATOM 0 HB2 GLU A 15 -18.128 -11.704 -9.927 1.00 45.25 H new ATOM 0 HB3 GLU A 15 -19.310 -12.449 -10.986 1.00 45.25 H new ATOM 0 HG2 GLU A 15 -17.702 -11.145 -12.280 1.00 55.15 H new ATOM 0 HG3 GLU A 15 -19.310 -10.466 -12.437 1.00 55.15 H new ATOM 238 N LYS A 16 -21.334 -12.948 -9.727 1.00 54.02 N ATOM 239 CA LYS A 16 -22.072 -14.048 -9.117 1.00 15.32 C ATOM 240 C LYS A 16 -21.555 -15.393 -9.615 1.00 60.10 C ATOM 241 O LYS A 16 -21.229 -15.546 -10.792 1.00 20.10 O ATOM 242 CB LYS A 16 -23.567 -13.918 -9.422 1.00 20.41 C ATOM 243 CG LYS A 16 -23.932 -14.308 -10.844 1.00 32.52 C ATOM 244 CD LYS A 16 -23.430 -13.286 -11.849 1.00 20.11 C ATOM 245 CE LYS A 16 -24.279 -13.282 -13.111 1.00 73.12 C ATOM 246 NZ LYS A 16 -23.722 -12.373 -14.152 1.00 30.23 N1+ ATOM 0 H LYS A 16 -21.229 -13.021 -10.739 1.00 54.02 H new ATOM 0 HA LYS A 16 -21.922 -13.999 -8.038 1.00 15.32 H new ATOM 0 HB2 LYS A 16 -24.127 -14.544 -8.727 1.00 20.41 H new ATOM 0 HB3 LYS A 16 -23.878 -12.888 -9.245 1.00 20.41 H new ATOM 0 HG2 LYS A 16 -23.507 -15.285 -11.075 1.00 32.52 H new ATOM 0 HG3 LYS A 16 -25.015 -14.403 -10.930 1.00 32.52 H new ATOM 0 HD2 LYS A 16 -23.442 -12.294 -11.398 1.00 20.11 H new ATOM 0 HD3 LYS A 16 -22.394 -13.506 -12.107 1.00 20.11 H new ATOM 0 HE2 LYS A 16 -24.342 -14.295 -13.509 1.00 73.12 H new ATOM 0 HE3 LYS A 16 -25.295 -12.973 -12.864 1.00 73.12 H new ATOM 0 HZ1 LYS A 16 -24.329 -12.399 -14.996 1.00 30.23 H new ATOM 0 HZ2 LYS A 16 -23.685 -11.402 -13.781 1.00 30.23 H new ATOM 0 HZ3 LYS A 16 -22.762 -12.683 -14.406 1.00 30.23 H new ATOM 260 N GLY A 17 -21.485 -16.367 -8.712 1.00 53.14 N ATOM 261 CA GLY A 17 -21.008 -17.687 -9.081 1.00 1.24 C ATOM 262 C GLY A 17 -19.499 -17.746 -9.199 1.00 24.31 C ATOM 263 O GLY A 17 -18.936 -18.789 -9.533 1.00 30.33 O ATOM 0 H GLY A 17 -21.750 -16.265 -7.732 1.00 53.14 H new ATOM 0 HA2 GLY A 17 -21.340 -18.411 -8.337 1.00 1.24 H new ATOM 0 HA3 GLY A 17 -21.455 -17.979 -10.031 1.00 1.24 H new ATOM 267 N ILE A 18 -18.841 -16.624 -8.927 1.00 51.44 N ATOM 268 CA ILE A 18 -17.387 -16.552 -9.006 1.00 32.50 C ATOM 269 C ILE A 18 -16.762 -16.542 -7.616 1.00 3.32 C ATOM 270 O ILE A 18 -16.751 -15.515 -6.936 1.00 25.41 O ATOM 271 CB ILE A 18 -16.926 -15.300 -9.774 1.00 45.15 C ATOM 272 CG1 ILE A 18 -17.691 -15.173 -11.093 1.00 2.33 C ATOM 273 CG2 ILE A 18 -15.426 -15.357 -10.029 1.00 34.32 C ATOM 274 CD1 ILE A 18 -17.343 -13.926 -11.876 1.00 3.12 C ATOM 0 H ILE A 18 -19.292 -15.752 -8.650 1.00 51.44 H new ATOM 0 HA ILE A 18 -17.055 -17.440 -9.544 1.00 32.50 H new ATOM 0 HB ILE A 18 -17.139 -14.421 -9.166 1.00 45.15 H new ATOM 0 HG12 ILE A 18 -17.485 -16.048 -11.709 1.00 2.33 H new ATOM 0 HG13 ILE A 18 -18.761 -15.175 -10.885 1.00 2.33 H new ATOM 0 HG21 ILE A 18 -15.115 -14.465 -10.573 1.00 34.32 H new ATOM 0 HG22 ILE A 18 -14.897 -15.405 -9.077 1.00 34.32 H new ATOM 0 HG23 ILE A 18 -15.191 -16.242 -10.620 1.00 34.32 H new ATOM 0 HD11 ILE A 18 -17.923 -13.902 -12.799 1.00 3.12 H new ATOM 0 HD12 ILE A 18 -17.576 -13.044 -11.279 1.00 3.12 H new ATOM 0 HD13 ILE A 18 -16.280 -13.932 -12.116 1.00 3.12 H new ATOM 286 N SER A 19 -16.239 -17.691 -7.198 1.00 72.20 N ATOM 287 CA SER A 19 -15.613 -17.815 -5.888 1.00 5.03 C ATOM 288 C SER A 19 -14.199 -17.243 -5.905 1.00 10.11 C ATOM 289 O SER A 19 -13.261 -17.886 -6.379 1.00 55.41 O ATOM 290 CB SER A 19 -15.577 -19.281 -5.453 1.00 70.31 C ATOM 291 OG SER A 19 -16.880 -19.838 -5.427 1.00 12.11 O ATOM 0 H SER A 19 -16.237 -18.549 -7.749 1.00 72.20 H new ATOM 0 HA SER A 19 -16.208 -17.246 -5.173 1.00 5.03 H new ATOM 0 HB2 SER A 19 -14.948 -19.851 -6.137 1.00 70.31 H new ATOM 0 HB3 SER A 19 -15.125 -19.359 -4.464 1.00 70.31 H new ATOM 0 HG SER A 19 -16.829 -20.776 -5.148 1.00 12.11 H new ATOM 297 N LYS A 20 -14.052 -16.029 -5.385 1.00 21.45 N ATOM 298 CA LYS A 20 -12.752 -15.368 -5.338 1.00 74.43 C ATOM 299 C LYS A 20 -11.832 -16.050 -4.332 1.00 44.01 C ATOM 300 O LYS A 20 -10.612 -15.893 -4.388 1.00 62.25 O ATOM 301 CB LYS A 20 -12.922 -13.892 -4.973 1.00 25.14 C ATOM 302 CG LYS A 20 -13.532 -13.671 -3.600 1.00 31.04 C ATOM 303 CD LYS A 20 -12.525 -13.075 -2.631 1.00 45.33 C ATOM 304 CE LYS A 20 -12.582 -11.555 -2.632 1.00 73.32 C ATOM 305 NZ LYS A 20 -11.478 -10.957 -1.833 1.00 24.23 N1+ ATOM 0 H LYS A 20 -14.817 -15.482 -4.990 1.00 21.45 H new ATOM 0 HA LYS A 20 -12.298 -15.441 -6.326 1.00 74.43 H new ATOM 0 HB2 LYS A 20 -11.949 -13.402 -5.012 1.00 25.14 H new ATOM 0 HB3 LYS A 20 -13.551 -13.411 -5.722 1.00 25.14 H new ATOM 0 HG2 LYS A 20 -14.392 -13.007 -3.686 1.00 31.04 H new ATOM 0 HG3 LYS A 20 -13.899 -14.619 -3.207 1.00 31.04 H new ATOM 0 HD2 LYS A 20 -12.722 -13.447 -1.626 1.00 45.33 H new ATOM 0 HD3 LYS A 20 -11.521 -13.403 -2.901 1.00 45.33 H new ATOM 0 HE2 LYS A 20 -12.526 -11.190 -3.658 1.00 73.32 H new ATOM 0 HE3 LYS A 20 -13.540 -11.228 -2.229 1.00 73.32 H new ATOM 0 HZ1 LYS A 20 -11.428 -9.935 -2.021 1.00 24.23 H new ATOM 0 HZ2 LYS A 20 -11.657 -11.115 -0.821 1.00 24.23 H new ATOM 0 HZ3 LYS A 20 -10.577 -11.403 -2.098 1.00 24.23 H new ATOM 319 N GLU A 21 -12.423 -16.807 -3.413 1.00 64.52 N ATOM 320 CA GLU A 21 -11.653 -17.513 -2.395 1.00 11.33 C ATOM 321 C GLU A 21 -10.568 -18.375 -3.034 1.00 34.03 C ATOM 322 O GLU A 21 -9.458 -18.481 -2.512 1.00 42.53 O ATOM 323 CB GLU A 21 -12.575 -18.384 -1.540 1.00 34.13 C ATOM 324 CG GLU A 21 -13.395 -19.377 -2.346 1.00 74.01 C ATOM 325 CD GLU A 21 -14.753 -19.650 -1.729 1.00 20.11 C ATOM 326 OE1 GLU A 21 -15.667 -18.820 -1.915 1.00 42.41 O1- ATOM 327 OE2 GLU A 21 -14.901 -20.695 -1.060 1.00 12.41 O ATOM 0 H GLU A 21 -13.431 -16.947 -3.352 1.00 64.52 H new ATOM 0 HA GLU A 21 -11.174 -16.770 -1.758 1.00 11.33 H new ATOM 0 HB2 GLU A 21 -11.974 -18.929 -0.812 1.00 34.13 H new ATOM 0 HB3 GLU A 21 -13.251 -17.740 -0.978 1.00 34.13 H new ATOM 0 HG2 GLU A 21 -13.530 -18.994 -3.358 1.00 74.01 H new ATOM 0 HG3 GLU A 21 -12.844 -20.314 -2.431 1.00 74.01 H new ATOM 334 N ILE A 22 -10.899 -18.990 -4.164 1.00 11.12 N ATOM 335 CA ILE A 22 -9.953 -19.843 -4.874 1.00 52.11 C ATOM 336 C ILE A 22 -8.949 -19.011 -5.665 1.00 5.14 C ATOM 337 O ILE A 22 -7.837 -19.461 -5.942 1.00 62.02 O ATOM 338 CB ILE A 22 -10.675 -20.805 -5.836 1.00 23.14 C ATOM 339 CG1 ILE A 22 -11.632 -21.712 -5.060 1.00 11.11 C ATOM 340 CG2 ILE A 22 -9.664 -21.634 -6.613 1.00 74.20 C ATOM 341 CD1 ILE A 22 -13.057 -21.204 -5.032 1.00 40.42 C ATOM 0 H ILE A 22 -11.814 -18.914 -4.608 1.00 11.12 H new ATOM 0 HA ILE A 22 -9.425 -20.425 -4.119 1.00 52.11 H new ATOM 0 HB ILE A 22 -11.256 -20.218 -6.547 1.00 23.14 H new ATOM 0 HG12 ILE A 22 -11.618 -22.707 -5.505 1.00 11.11 H new ATOM 0 HG13 ILE A 22 -11.272 -21.816 -4.037 1.00 11.11 H new ATOM 0 HG21 ILE A 22 -10.189 -22.309 -7.289 1.00 74.20 H new ATOM 0 HG22 ILE A 22 -9.018 -20.973 -7.191 1.00 74.20 H new ATOM 0 HG23 ILE A 22 -9.059 -22.215 -5.917 1.00 74.20 H new ATOM 0 HD11 ILE A 22 -13.679 -21.897 -4.465 1.00 40.42 H new ATOM 0 HD12 ILE A 22 -13.084 -20.222 -4.560 1.00 40.42 H new ATOM 0 HD13 ILE A 22 -13.436 -21.127 -6.051 1.00 40.42 H new ATOM 353 N ILE A 23 -9.347 -17.795 -6.022 1.00 13.43 N ATOM 354 CA ILE A 23 -8.481 -16.898 -6.777 1.00 72.34 C ATOM 355 C ILE A 23 -7.240 -16.526 -5.973 1.00 55.40 C ATOM 356 O ILE A 23 -6.128 -16.507 -6.501 1.00 31.34 O ATOM 357 CB ILE A 23 -9.222 -15.611 -7.186 1.00 24.53 C ATOM 358 CG1 ILE A 23 -10.440 -15.949 -8.047 1.00 1.43 C ATOM 359 CG2 ILE A 23 -8.283 -14.674 -7.930 1.00 41.41 C ATOM 360 CD1 ILE A 23 -10.085 -16.589 -9.371 1.00 34.01 C ATOM 0 H ILE A 23 -10.264 -17.408 -5.800 1.00 13.43 H new ATOM 0 HA ILE A 23 -8.179 -17.434 -7.677 1.00 72.34 H new ATOM 0 HB ILE A 23 -9.568 -15.106 -6.284 1.00 24.53 H new ATOM 0 HG12 ILE A 23 -11.093 -16.622 -7.491 1.00 1.43 H new ATOM 0 HG13 ILE A 23 -11.007 -15.037 -8.234 1.00 1.43 H new ATOM 0 HG21 ILE A 23 -8.821 -13.769 -8.213 1.00 41.41 H new ATOM 0 HG22 ILE A 23 -7.445 -14.411 -7.285 1.00 41.41 H new ATOM 0 HG23 ILE A 23 -7.910 -15.169 -8.826 1.00 41.41 H new ATOM 0 HD11 ILE A 23 -10.997 -16.801 -9.929 1.00 34.01 H new ATOM 0 HD12 ILE A 23 -9.457 -15.909 -9.947 1.00 34.01 H new ATOM 0 HD13 ILE A 23 -9.544 -17.518 -9.192 1.00 34.01 H new ATOM 372 N ILE A 24 -7.439 -16.229 -4.693 1.00 51.31 N ATOM 373 CA ILE A 24 -6.336 -15.859 -3.814 1.00 74.21 C ATOM 374 C ILE A 24 -5.224 -16.901 -3.861 1.00 44.54 C ATOM 375 O ILE A 24 -4.042 -16.562 -3.807 1.00 32.23 O ATOM 376 CB ILE A 24 -6.808 -15.693 -2.358 1.00 32.43 C ATOM 377 CG1 ILE A 24 -7.846 -14.573 -2.259 1.00 11.23 C ATOM 378 CG2 ILE A 24 -5.624 -15.407 -1.447 1.00 1.24 C ATOM 379 CD1 ILE A 24 -9.244 -15.068 -1.964 1.00 31.23 C ATOM 0 H ILE A 24 -8.354 -16.237 -4.242 1.00 51.31 H new ATOM 0 HA ILE A 24 -5.952 -14.904 -4.173 1.00 74.21 H new ATOM 0 HB ILE A 24 -7.274 -16.624 -2.035 1.00 32.43 H new ATOM 0 HG12 ILE A 24 -7.543 -13.877 -1.477 1.00 11.23 H new ATOM 0 HG13 ILE A 24 -7.857 -14.015 -3.195 1.00 11.23 H new ATOM 0 HG21 ILE A 24 -5.974 -15.292 -0.421 1.00 1.24 H new ATOM 0 HG22 ILE A 24 -4.917 -16.235 -1.499 1.00 1.24 H new ATOM 0 HG23 ILE A 24 -5.132 -14.489 -1.767 1.00 1.24 H new ATOM 0 HD11 ILE A 24 -9.926 -14.220 -1.908 1.00 31.23 H new ATOM 0 HD12 ILE A 24 -9.567 -15.741 -2.758 1.00 31.23 H new ATOM 0 HD13 ILE A 24 -9.248 -15.600 -1.013 1.00 31.23 H new ATOM 391 N GLU A 25 -5.610 -18.168 -3.964 1.00 72.53 N ATOM 392 CA GLU A 25 -4.645 -19.259 -4.019 1.00 43.13 C ATOM 393 C GLU A 25 -3.886 -19.248 -5.344 1.00 2.50 C ATOM 394 O GLU A 25 -2.739 -19.687 -5.418 1.00 34.42 O ATOM 395 CB GLU A 25 -5.349 -20.604 -3.834 1.00 73.04 C ATOM 396 CG GLU A 25 -6.253 -20.655 -2.613 1.00 44.41 C ATOM 397 CD GLU A 25 -6.926 -22.002 -2.442 1.00 73.01 C ATOM 398 OE1 GLU A 25 -6.589 -22.935 -3.199 1.00 32.20 O ATOM 399 OE2 GLU A 25 -7.792 -22.123 -1.549 1.00 21.12 O1- ATOM 0 H GLU A 25 -6.585 -18.465 -4.011 1.00 72.53 H new ATOM 0 HA GLU A 25 -3.930 -19.118 -3.208 1.00 43.13 H new ATOM 0 HB2 GLU A 25 -5.941 -20.820 -4.723 1.00 73.04 H new ATOM 0 HB3 GLU A 25 -4.598 -21.390 -3.753 1.00 73.04 H new ATOM 0 HG2 GLU A 25 -5.667 -20.430 -1.722 1.00 44.41 H new ATOM 0 HG3 GLU A 25 -7.015 -19.880 -2.697 1.00 44.41 H new ATOM 406 N ALA A 26 -4.537 -18.743 -6.387 1.00 1.41 N ATOM 407 CA ALA A 26 -3.925 -18.672 -7.707 1.00 44.13 C ATOM 408 C ALA A 26 -2.771 -17.675 -7.727 1.00 13.13 C ATOM 409 O ALA A 26 -1.799 -17.850 -8.461 1.00 24.00 O ATOM 410 CB ALA A 26 -4.965 -18.299 -8.752 1.00 14.40 C ATOM 0 H ALA A 26 -5.488 -18.377 -6.343 1.00 1.41 H new ATOM 0 HA ALA A 26 -3.523 -19.657 -7.945 1.00 44.13 H new ATOM 0 HB1 ALA A 26 -4.493 -18.250 -9.733 1.00 14.40 H new ATOM 0 HB2 ALA A 26 -5.753 -19.052 -8.766 1.00 14.40 H new ATOM 0 HB3 ALA A 26 -5.395 -17.328 -8.507 1.00 14.40 H new ATOM 416 N ILE A 27 -2.888 -16.628 -6.916 1.00 44.10 N ATOM 417 CA ILE A 27 -1.854 -15.604 -6.840 1.00 13.45 C ATOM 418 C ILE A 27 -0.564 -16.166 -6.251 1.00 13.44 C ATOM 419 O ILE A 27 0.503 -16.061 -6.855 1.00 54.42 O ATOM 420 CB ILE A 27 -2.312 -14.404 -5.990 1.00 20.00 C ATOM 421 CG1 ILE A 27 -3.242 -13.499 -6.803 1.00 25.54 C ATOM 422 CG2 ILE A 27 -1.109 -13.621 -5.487 1.00 13.51 C ATOM 423 CD1 ILE A 27 -4.600 -14.109 -7.064 1.00 74.33 C ATOM 0 H ILE A 27 -3.688 -16.467 -6.303 1.00 44.10 H new ATOM 0 HA ILE A 27 -1.668 -15.268 -7.860 1.00 13.45 H new ATOM 0 HB ILE A 27 -2.864 -14.779 -5.128 1.00 20.00 H new ATOM 0 HG12 ILE A 27 -3.372 -12.555 -6.273 1.00 25.54 H new ATOM 0 HG13 ILE A 27 -2.768 -13.267 -7.756 1.00 25.54 H new ATOM 0 HG21 ILE A 27 -1.449 -12.776 -4.888 1.00 13.51 H new ATOM 0 HG22 ILE A 27 -0.482 -14.270 -4.876 1.00 13.51 H new ATOM 0 HG23 ILE A 27 -0.532 -13.255 -6.336 1.00 13.51 H new ATOM 0 HD11 ILE A 27 -5.206 -13.413 -7.645 1.00 74.33 H new ATOM 0 HD12 ILE A 27 -4.480 -15.038 -7.621 1.00 74.33 H new ATOM 0 HD13 ILE A 27 -5.094 -14.316 -6.115 1.00 74.33 H new ATOM 435 N GLU A 28 -0.671 -16.764 -5.069 1.00 54.21 N ATOM 436 CA GLU A 28 0.487 -17.345 -4.399 1.00 54.51 C ATOM 437 C GLU A 28 1.096 -18.463 -5.239 1.00 43.41 C ATOM 438 O GLU A 28 2.317 -18.571 -5.357 1.00 43.02 O ATOM 439 CB GLU A 28 0.091 -17.882 -3.022 1.00 64.12 C ATOM 440 CG GLU A 28 -1.190 -18.698 -3.032 1.00 40.22 C ATOM 441 CD GLU A 28 -1.446 -19.399 -1.712 1.00 51.43 C ATOM 442 OE1 GLU A 28 -1.898 -18.725 -0.762 1.00 75.44 O1- ATOM 443 OE2 GLU A 28 -1.194 -20.619 -1.629 1.00 63.03 O ATOM 0 H GLU A 28 -1.547 -16.859 -4.556 1.00 54.21 H new ATOM 0 HA GLU A 28 1.234 -16.561 -4.273 1.00 54.51 H new ATOM 0 HB2 GLU A 28 0.902 -18.499 -2.635 1.00 64.12 H new ATOM 0 HB3 GLU A 28 -0.027 -17.044 -2.335 1.00 64.12 H new ATOM 0 HG2 GLU A 28 -2.031 -18.044 -3.261 1.00 40.22 H new ATOM 0 HG3 GLU A 28 -1.137 -19.440 -3.829 1.00 40.22 H new ATOM 450 N ALA A 29 0.238 -19.294 -5.820 1.00 30.04 N ATOM 451 CA ALA A 29 0.691 -20.405 -6.649 1.00 12.54 C ATOM 452 C ALA A 29 1.628 -19.920 -7.750 1.00 13.03 C ATOM 453 O ALA A 29 2.512 -20.652 -8.192 1.00 61.31 O ATOM 454 CB ALA A 29 -0.501 -21.133 -7.251 1.00 31.13 C ATOM 0 H ALA A 29 -0.775 -19.219 -5.732 1.00 30.04 H new ATOM 0 HA ALA A 29 1.244 -21.098 -6.016 1.00 12.54 H new ATOM 0 HB1 ALA A 29 -0.149 -21.960 -7.868 1.00 31.13 H new ATOM 0 HB2 ALA A 29 -1.133 -21.520 -6.451 1.00 31.13 H new ATOM 0 HB3 ALA A 29 -1.077 -20.442 -7.866 1.00 31.13 H new ATOM 460 N ALA A 30 1.429 -18.681 -8.188 1.00 53.23 N ATOM 461 CA ALA A 30 2.257 -18.098 -9.237 1.00 23.45 C ATOM 462 C ALA A 30 3.630 -17.711 -8.699 1.00 61.02 C ATOM 463 O ALA A 30 4.657 -18.030 -9.301 1.00 51.44 O ATOM 464 CB ALA A 30 1.565 -16.888 -9.845 1.00 32.41 C ATOM 0 H ALA A 30 0.701 -18.061 -7.832 1.00 53.23 H new ATOM 0 HA ALA A 30 2.398 -18.849 -10.014 1.00 23.45 H new ATOM 0 HB1 ALA A 30 2.195 -16.463 -10.627 1.00 32.41 H new ATOM 0 HB2 ALA A 30 0.610 -17.192 -10.274 1.00 32.41 H new ATOM 0 HB3 ALA A 30 1.393 -16.140 -9.071 1.00 32.41 H new ATOM 470 N LEU A 31 3.642 -17.022 -7.564 1.00 5.35 N ATOM 471 CA LEU A 31 4.891 -16.590 -6.945 1.00 1.23 C ATOM 472 C LEU A 31 5.809 -17.779 -6.682 1.00 21.11 C ATOM 473 O LEU A 31 6.980 -17.768 -7.063 1.00 34.51 O ATOM 474 CB LEU A 31 4.605 -15.852 -5.635 1.00 45.33 C ATOM 475 CG LEU A 31 4.248 -14.370 -5.764 1.00 33.31 C ATOM 476 CD1 LEU A 31 5.369 -13.608 -6.452 1.00 53.12 C ATOM 477 CD2 LEU A 31 2.939 -14.203 -6.524 1.00 43.31 C ATOM 0 H LEU A 31 2.802 -16.750 -7.053 1.00 5.35 H new ATOM 0 HA LEU A 31 5.394 -15.912 -7.635 1.00 1.23 H new ATOM 0 HB2 LEU A 31 3.785 -16.360 -5.127 1.00 45.33 H new ATOM 0 HB3 LEU A 31 5.481 -15.940 -4.993 1.00 45.33 H new ATOM 0 HG LEU A 31 4.120 -13.957 -4.763 1.00 33.31 H new ATOM 0 HD11 LEU A 31 5.097 -12.556 -6.535 1.00 53.12 H new ATOM 0 HD12 LEU A 31 6.284 -13.701 -5.868 1.00 53.12 H new ATOM 0 HD13 LEU A 31 5.531 -14.020 -7.448 1.00 53.12 H new ATOM 0 HD21 LEU A 31 2.699 -13.143 -6.607 1.00 43.31 H new ATOM 0 HD22 LEU A 31 3.040 -14.631 -7.521 1.00 43.31 H new ATOM 0 HD23 LEU A 31 2.139 -14.715 -5.988 1.00 43.31 H new ATOM 489 N ILE A 32 5.269 -18.803 -6.030 1.00 24.45 N ATOM 490 CA ILE A 32 6.039 -20.001 -5.719 1.00 71.03 C ATOM 491 C ILE A 32 6.604 -20.635 -6.986 1.00 24.23 C ATOM 492 O ILE A 32 7.751 -21.082 -7.009 1.00 63.05 O ATOM 493 CB ILE A 32 5.183 -21.043 -4.974 1.00 60.21 C ATOM 494 CG1 ILE A 32 5.993 -22.317 -4.727 1.00 22.33 C ATOM 495 CG2 ILE A 32 3.922 -21.356 -5.766 1.00 41.15 C ATOM 496 CD1 ILE A 32 5.503 -23.125 -3.545 1.00 4.22 C ATOM 0 H ILE A 32 4.302 -18.827 -5.707 1.00 24.45 H new ATOM 0 HA ILE A 32 6.860 -19.690 -5.074 1.00 71.03 H new ATOM 0 HB ILE A 32 4.890 -20.628 -4.010 1.00 60.21 H new ATOM 0 HG12 ILE A 32 5.958 -22.939 -5.621 1.00 22.33 H new ATOM 0 HG13 ILE A 32 7.037 -22.049 -4.566 1.00 22.33 H new ATOM 0 HG21 ILE A 32 3.328 -22.094 -5.227 1.00 41.15 H new ATOM 0 HG22 ILE A 32 3.338 -20.445 -5.896 1.00 41.15 H new ATOM 0 HG23 ILE A 32 4.195 -21.754 -6.743 1.00 41.15 H new ATOM 0 HD11 ILE A 32 6.123 -24.014 -3.429 1.00 4.22 H new ATOM 0 HD12 ILE A 32 5.564 -22.520 -2.640 1.00 4.22 H new ATOM 0 HD13 ILE A 32 4.468 -23.424 -3.713 1.00 4.22 H new ATOM 508 N SER A 33 5.791 -20.669 -8.037 1.00 23.51 N ATOM 509 CA SER A 33 6.209 -21.251 -9.307 1.00 62.33 C ATOM 510 C SER A 33 7.318 -20.420 -9.946 1.00 1.44 C ATOM 511 O SER A 33 8.346 -20.953 -10.363 1.00 2.10 O ATOM 512 CB SER A 33 5.018 -21.353 -10.262 1.00 3.21 C ATOM 513 OG SER A 33 5.440 -21.289 -11.613 1.00 24.42 O ATOM 0 H SER A 33 4.840 -20.301 -8.034 1.00 23.51 H new ATOM 0 HA SER A 33 6.595 -22.251 -9.111 1.00 62.33 H new ATOM 0 HB2 SER A 33 4.487 -22.289 -10.088 1.00 3.21 H new ATOM 0 HB3 SER A 33 4.315 -20.545 -10.059 1.00 3.21 H new ATOM 0 HG SER A 33 4.660 -21.358 -12.203 1.00 24.42 H new ATOM 519 N ALA A 34 7.101 -19.111 -10.019 1.00 22.53 N ATOM 520 CA ALA A 34 8.081 -18.205 -10.605 1.00 1.34 C ATOM 521 C ALA A 34 9.453 -18.392 -9.963 1.00 52.14 C ATOM 522 O ALA A 34 10.475 -18.374 -10.648 1.00 62.24 O ATOM 523 CB ALA A 34 7.620 -16.762 -10.459 1.00 23.24 C ATOM 0 H ALA A 34 6.255 -18.654 -9.679 1.00 22.53 H new ATOM 0 HA ALA A 34 8.169 -18.441 -11.666 1.00 1.34 H new ATOM 0 HB1 ALA A 34 8.362 -16.097 -10.901 1.00 23.24 H new ATOM 0 HB2 ALA A 34 6.666 -16.632 -10.969 1.00 23.24 H new ATOM 0 HB3 ALA A 34 7.502 -16.523 -9.402 1.00 23.24 H new ATOM 529 N TYR A 35 9.466 -18.570 -8.647 1.00 60.44 N ATOM 530 CA TYR A 35 10.712 -18.757 -7.914 1.00 42.44 C ATOM 531 C TYR A 35 11.190 -20.203 -8.010 1.00 40.45 C ATOM 532 O TYR A 35 12.388 -20.480 -7.944 1.00 13.24 O ATOM 533 CB TYR A 35 10.529 -18.365 -6.447 1.00 14.41 C ATOM 534 CG TYR A 35 11.734 -18.666 -5.585 1.00 55.14 C ATOM 535 CD1 TYR A 35 11.900 -19.915 -5.000 1.00 72.52 C ATOM 536 CD2 TYR A 35 12.707 -17.701 -5.357 1.00 31.21 C ATOM 537 CE1 TYR A 35 12.999 -20.194 -4.211 1.00 4.45 C ATOM 538 CE2 TYR A 35 13.811 -17.971 -4.570 1.00 13.02 C ATOM 539 CZ TYR A 35 13.951 -19.219 -3.999 1.00 1.20 C ATOM 540 OH TYR A 35 15.049 -19.493 -3.215 1.00 72.42 O ATOM 0 H TYR A 35 8.628 -18.589 -8.066 1.00 60.44 H new ATOM 0 HA TYR A 35 11.468 -18.113 -8.364 1.00 42.44 H new ATOM 0 HB2 TYR A 35 10.309 -17.299 -6.389 1.00 14.41 H new ATOM 0 HB3 TYR A 35 9.664 -18.892 -6.044 1.00 14.41 H new ATOM 0 HD1 TYR A 35 11.157 -20.681 -5.165 1.00 72.52 H new ATOM 0 HD2 TYR A 35 12.599 -16.723 -5.802 1.00 31.21 H new ATOM 0 HE1 TYR A 35 13.112 -21.170 -3.763 1.00 4.45 H new ATOM 0 HE2 TYR A 35 14.559 -17.210 -4.403 1.00 13.02 H new ATOM 0 HH TYR A 35 15.623 -18.700 -3.168 1.00 72.42 H new ATOM 550 N LYS A 36 10.243 -21.122 -8.169 1.00 5.13 N ATOM 551 CA LYS A 36 10.564 -22.540 -8.277 1.00 11.15 C ATOM 552 C LYS A 36 11.342 -22.826 -9.557 1.00 32.14 C ATOM 553 O LYS A 36 12.216 -23.692 -9.582 1.00 62.43 O ATOM 554 CB LYS A 36 9.283 -23.377 -8.247 1.00 64.34 C ATOM 555 CG LYS A 36 9.535 -24.875 -8.236 1.00 20.30 C ATOM 556 CD LYS A 36 8.384 -25.630 -7.593 1.00 1.42 C ATOM 557 CE LYS A 36 8.430 -25.531 -6.076 1.00 45.53 C ATOM 558 NZ LYS A 36 7.901 -26.760 -5.424 1.00 21.13 N1+ ATOM 0 H LYS A 36 9.247 -20.910 -8.226 1.00 5.13 H new ATOM 0 HA LYS A 36 11.188 -22.812 -7.426 1.00 11.15 H new ATOM 0 HB2 LYS A 36 8.704 -23.108 -7.364 1.00 64.34 H new ATOM 0 HB3 LYS A 36 8.674 -23.126 -9.116 1.00 64.34 H new ATOM 0 HG2 LYS A 36 9.677 -25.228 -9.257 1.00 20.30 H new ATOM 0 HG3 LYS A 36 10.457 -25.086 -7.694 1.00 20.30 H new ATOM 0 HD2 LYS A 36 7.437 -25.230 -7.956 1.00 1.42 H new ATOM 0 HD3 LYS A 36 8.423 -26.678 -7.892 1.00 1.42 H new ATOM 0 HE2 LYS A 36 9.458 -25.363 -5.754 1.00 45.53 H new ATOM 0 HE3 LYS A 36 7.849 -24.668 -5.751 1.00 45.53 H new ATOM 0 HZ1 LYS A 36 7.949 -26.653 -4.391 1.00 21.13 H new ATOM 0 HZ2 LYS A 36 6.912 -26.907 -5.711 1.00 21.13 H new ATOM 0 HZ3 LYS A 36 8.471 -27.580 -5.714 1.00 21.13 H new ATOM 572 N ARG A 37 11.020 -22.092 -10.616 1.00 74.25 N ATOM 573 CA ARG A 37 11.689 -22.268 -11.899 1.00 53.51 C ATOM 574 C ARG A 37 13.197 -22.090 -11.755 1.00 13.30 C ATOM 575 O ARG A 37 13.973 -22.611 -12.554 1.00 74.35 O ATOM 576 CB ARG A 37 11.142 -21.270 -12.924 1.00 25.33 C ATOM 577 CG ARG A 37 9.731 -21.589 -13.391 1.00 1.44 C ATOM 578 CD ARG A 37 9.418 -20.915 -14.718 1.00 4.13 C ATOM 579 NE ARG A 37 9.221 -19.476 -14.568 1.00 22.22 N ATOM 580 CZ ARG A 37 9.149 -18.633 -15.592 1.00 71.43 C ATOM 581 NH1 ARG A 37 9.256 -19.084 -16.834 1.00 64.15 N1+ ATOM 582 NH2 ARG A 37 8.968 -17.337 -15.375 1.00 43.33 N ATOM 0 H ARG A 37 10.300 -21.370 -10.611 1.00 74.25 H new ATOM 0 HA ARG A 37 11.492 -23.282 -12.247 1.00 53.51 H new ATOM 0 HB2 ARG A 37 11.154 -20.271 -12.488 1.00 25.33 H new ATOM 0 HB3 ARG A 37 11.806 -21.249 -13.788 1.00 25.33 H new ATOM 0 HG2 ARG A 37 9.616 -22.668 -13.494 1.00 1.44 H new ATOM 0 HG3 ARG A 37 9.014 -21.262 -12.638 1.00 1.44 H new ATOM 0 HD2 ARG A 37 10.233 -21.098 -15.419 1.00 4.13 H new ATOM 0 HD3 ARG A 37 8.521 -21.361 -15.148 1.00 4.13 H new ATOM 0 HE ARG A 37 9.134 -19.097 -13.625 1.00 22.22 H new ATOM 0 HH11 ARG A 37 9.394 -20.080 -17.005 1.00 64.15 H new ATOM 0 HH12 ARG A 37 9.200 -18.435 -17.619 1.00 64.15 H new ATOM 0 HH21 ARG A 37 8.884 -16.987 -14.421 1.00 43.33 H new ATOM 0 HH22 ARG A 37 8.913 -16.691 -16.162 1.00 43.33 H new ATOM 596 N ASN A 38 13.604 -21.348 -10.729 1.00 64.14 N ATOM 597 CA ASN A 38 15.020 -21.101 -10.481 1.00 2.44 C ATOM 598 C ASN A 38 15.686 -22.325 -9.860 1.00 62.25 C ATOM 599 O ASN A 38 16.868 -22.583 -10.085 1.00 62.41 O ATOM 600 CB ASN A 38 15.194 -19.891 -9.560 1.00 14.03 C ATOM 601 CG ASN A 38 14.988 -18.576 -10.288 1.00 30.51 C ATOM 602 OD1 ASN A 38 15.812 -18.174 -11.110 1.00 23.41 O ATOM 603 ND2 ASN A 38 13.885 -17.900 -9.988 1.00 43.51 N ATOM 0 H ASN A 38 12.974 -20.908 -10.058 1.00 64.14 H new ATOM 0 HA ASN A 38 15.500 -20.894 -11.438 1.00 2.44 H new ATOM 0 HB2 ASN A 38 14.486 -19.961 -8.735 1.00 14.03 H new ATOM 0 HB3 ASN A 38 16.193 -19.910 -9.125 1.00 14.03 H new ATOM 0 HD21 ASN A 38 13.693 -17.009 -10.445 1.00 43.51 H new ATOM 0 HD22 ASN A 38 13.230 -18.272 -9.300 1.00 43.51 H new ATOM 610 N PHE A 39 14.918 -23.077 -9.079 1.00 74.50 N ATOM 611 CA PHE A 39 15.433 -24.275 -8.425 1.00 13.22 C ATOM 612 C PHE A 39 14.314 -25.282 -8.175 1.00 13.23 C ATOM 613 O PHE A 39 13.861 -25.454 -7.045 1.00 12.23 O ATOM 614 CB PHE A 39 16.109 -23.909 -7.103 1.00 22.33 C ATOM 615 CG PHE A 39 17.451 -23.257 -7.276 1.00 63.55 C ATOM 616 CD1 PHE A 39 18.444 -23.873 -8.022 1.00 54.30 C ATOM 617 CD2 PHE A 39 17.720 -22.029 -6.695 1.00 1.45 C ATOM 618 CE1 PHE A 39 19.680 -23.275 -8.183 1.00 20.44 C ATOM 619 CE2 PHE A 39 18.955 -21.426 -6.852 1.00 73.20 C ATOM 620 CZ PHE A 39 19.935 -22.051 -7.598 1.00 41.30 C ATOM 0 H PHE A 39 13.937 -22.878 -8.883 1.00 74.50 H new ATOM 0 HA PHE A 39 16.168 -24.732 -9.087 1.00 13.22 H new ATOM 0 HB2 PHE A 39 15.457 -23.237 -6.545 1.00 22.33 H new ATOM 0 HB3 PHE A 39 16.227 -24.811 -6.503 1.00 22.33 H new ATOM 0 HD1 PHE A 39 18.250 -24.830 -8.482 1.00 54.30 H new ATOM 0 HD2 PHE A 39 16.956 -21.536 -6.112 1.00 1.45 H new ATOM 0 HE1 PHE A 39 20.446 -23.765 -8.766 1.00 20.44 H new ATOM 0 HE2 PHE A 39 19.152 -20.469 -6.392 1.00 73.20 H new ATOM 0 HZ PHE A 39 20.900 -21.582 -7.724 1.00 41.30 H new ATOM 630 N ASN A 40 13.872 -25.944 -9.240 1.00 5.11 N ATOM 631 CA ASN A 40 12.806 -26.932 -9.138 1.00 31.44 C ATOM 632 C ASN A 40 13.329 -28.238 -8.544 1.00 13.21 C ATOM 633 O ASN A 40 12.845 -28.698 -7.511 1.00 10.21 O ATOM 634 CB ASN A 40 12.191 -27.195 -10.514 1.00 21.11 C ATOM 635 CG ASN A 40 11.877 -25.913 -11.261 1.00 35.33 C ATOM 636 OD1 ASN A 40 12.778 -25.168 -11.643 1.00 34.12 O ATOM 637 ND2 ASN A 40 10.592 -25.651 -11.471 1.00 33.42 N ATOM 0 H ASN A 40 14.237 -25.813 -10.184 1.00 5.11 H new ATOM 0 HA ASN A 40 12.038 -26.533 -8.475 1.00 31.44 H new ATOM 0 HB2 ASN A 40 12.878 -27.799 -11.107 1.00 21.11 H new ATOM 0 HB3 ASN A 40 11.277 -27.777 -10.395 1.00 21.11 H new ATOM 0 HD21 ASN A 40 10.319 -24.803 -11.967 1.00 33.42 H new ATOM 0 HD22 ASN A 40 9.878 -26.298 -11.136 1.00 33.42 H new ATOM 644 N GLN A 41 14.320 -28.827 -9.206 1.00 42.41 N ATOM 645 CA GLN A 41 14.908 -30.078 -8.744 1.00 32.21 C ATOM 646 C GLN A 41 16.070 -29.814 -7.792 1.00 10.23 C ATOM 647 O GLN A 41 16.815 -30.728 -7.439 1.00 2.54 O ATOM 648 CB GLN A 41 15.387 -30.910 -9.934 1.00 24.30 C ATOM 649 CG GLN A 41 16.490 -30.242 -10.739 1.00 23.03 C ATOM 650 CD GLN A 41 17.278 -31.228 -11.579 1.00 60.23 C ATOM 651 OE1 GLN A 41 17.559 -32.345 -11.146 1.00 25.31 O ATOM 652 NE2 GLN A 41 17.640 -30.818 -12.790 1.00 53.52 N ATOM 0 H GLN A 41 14.732 -28.458 -10.063 1.00 42.41 H new ATOM 0 HA GLN A 41 14.141 -30.635 -8.206 1.00 32.21 H new ATOM 0 HB2 GLN A 41 15.745 -31.874 -9.572 1.00 24.30 H new ATOM 0 HB3 GLN A 41 14.540 -31.111 -10.590 1.00 24.30 H new ATOM 0 HG2 GLN A 41 16.052 -29.485 -11.389 1.00 23.03 H new ATOM 0 HG3 GLN A 41 17.168 -29.725 -10.060 1.00 23.03 H new ATOM 0 HE21 GLN A 41 17.386 -29.883 -13.109 1.00 53.52 H new ATOM 0 HE22 GLN A 41 18.172 -31.438 -13.400 1.00 53.52 H new ATOM 661 N ALA A 42 16.219 -28.559 -7.380 1.00 53.10 N ATOM 662 CA ALA A 42 17.288 -28.176 -6.467 1.00 45.11 C ATOM 663 C ALA A 42 16.798 -28.157 -5.024 1.00 30.22 C ATOM 664 O ALA A 42 17.529 -28.533 -4.106 1.00 53.42 O ATOM 665 CB ALA A 42 17.850 -26.816 -6.854 1.00 52.01 C ATOM 0 H ALA A 42 15.612 -27.790 -7.665 1.00 53.10 H new ATOM 0 HA ALA A 42 18.081 -28.920 -6.543 1.00 45.11 H new ATOM 0 HB1 ALA A 42 18.648 -26.542 -6.164 1.00 52.01 H new ATOM 0 HB2 ALA A 42 18.247 -26.862 -7.868 1.00 52.01 H new ATOM 0 HB3 ALA A 42 17.058 -26.069 -6.808 1.00 52.01 H new ATOM 671 N GLN A 43 15.559 -27.718 -4.829 1.00 44.33 N ATOM 672 CA GLN A 43 14.973 -27.649 -3.496 1.00 63.21 C ATOM 673 C GLN A 43 13.511 -27.223 -3.565 1.00 62.24 C ATOM 674 O GLN A 43 13.097 -26.540 -4.501 1.00 74.55 O ATOM 675 CB GLN A 43 15.761 -26.674 -2.620 1.00 72.12 C ATOM 676 CG GLN A 43 15.242 -26.584 -1.193 1.00 43.55 C ATOM 677 CD GLN A 43 16.086 -25.673 -0.323 1.00 74.41 C ATOM 678 OE1 GLN A 43 17.171 -25.246 -0.719 1.00 53.02 O ATOM 679 NE2 GLN A 43 15.592 -25.371 0.873 1.00 50.05 N ATOM 0 H GLN A 43 14.941 -27.405 -5.578 1.00 44.33 H new ATOM 0 HA GLN A 43 15.021 -28.644 -3.053 1.00 63.21 H new ATOM 0 HB2 GLN A 43 16.807 -26.981 -2.599 1.00 72.12 H new ATOM 0 HB3 GLN A 43 15.728 -25.683 -3.073 1.00 72.12 H new ATOM 0 HG2 GLN A 43 14.215 -26.219 -1.206 1.00 43.55 H new ATOM 0 HG3 GLN A 43 15.220 -27.582 -0.754 1.00 43.55 H new ATOM 0 HE21 GLN A 43 14.689 -25.747 1.161 1.00 50.05 H new ATOM 0 HE22 GLN A 43 16.116 -24.763 1.503 1.00 50.05 H new ATOM 688 N ASN A 44 12.733 -27.630 -2.568 1.00 61.24 N ATOM 689 CA ASN A 44 11.315 -27.291 -2.517 1.00 5.03 C ATOM 690 C ASN A 44 11.109 -25.907 -1.909 1.00 45.14 C ATOM 691 O ASN A 44 12.070 -25.224 -1.555 1.00 15.42 O ATOM 692 CB ASN A 44 10.548 -28.337 -1.704 1.00 2.54 C ATOM 693 CG ASN A 44 10.949 -28.339 -0.241 1.00 33.50 C ATOM 694 OD1 ASN A 44 11.866 -27.625 0.165 1.00 53.44 O ATOM 695 ND2 ASN A 44 10.261 -29.147 0.558 1.00 2.43 N ATOM 0 H ASN A 44 13.060 -28.195 -1.784 1.00 61.24 H new ATOM 0 HA ASN A 44 10.932 -27.281 -3.537 1.00 5.03 H new ATOM 0 HB2 ASN A 44 9.478 -28.143 -1.785 1.00 2.54 H new ATOM 0 HB3 ASN A 44 10.726 -29.325 -2.128 1.00 2.54 H new ATOM 0 HD21 ASN A 44 10.485 -29.193 1.552 1.00 2.43 H new ATOM 0 HD22 ASN A 44 9.509 -29.721 0.178 1.00 2.43 H new ATOM 702 N VAL A 45 9.849 -25.500 -1.791 1.00 44.30 N ATOM 703 CA VAL A 45 9.516 -24.198 -1.225 1.00 71.11 C ATOM 704 C VAL A 45 8.007 -24.036 -1.071 1.00 24.13 C ATOM 705 O VAL A 45 7.229 -24.656 -1.795 1.00 24.45 O ATOM 706 CB VAL A 45 10.058 -23.051 -2.098 1.00 60.41 C ATOM 707 CG1 VAL A 45 9.309 -22.986 -3.420 1.00 23.33 C ATOM 708 CG2 VAL A 45 9.962 -21.726 -1.356 1.00 21.34 C ATOM 0 H VAL A 45 9.042 -26.053 -2.080 1.00 44.30 H new ATOM 0 HA VAL A 45 9.986 -24.150 -0.243 1.00 71.11 H new ATOM 0 HB VAL A 45 11.109 -23.246 -2.312 1.00 60.41 H new ATOM 0 HG11 VAL A 45 9.706 -22.170 -4.023 1.00 23.33 H new ATOM 0 HG12 VAL A 45 9.434 -23.927 -3.956 1.00 23.33 H new ATOM 0 HG13 VAL A 45 8.249 -22.815 -3.230 1.00 23.33 H new ATOM 0 HG21 VAL A 45 10.349 -20.926 -1.988 1.00 21.34 H new ATOM 0 HG22 VAL A 45 8.920 -21.522 -1.110 1.00 21.34 H new ATOM 0 HG23 VAL A 45 10.548 -21.780 -0.438 1.00 21.34 H new ATOM 718 N ARG A 46 7.603 -23.197 -0.123 1.00 33.25 N ATOM 719 CA ARG A 46 6.187 -22.953 0.127 1.00 13.25 C ATOM 720 C ARG A 46 5.922 -21.466 0.346 1.00 35.22 C ATOM 721 O ARG A 46 6.388 -20.880 1.323 1.00 45.34 O ATOM 722 CB ARG A 46 5.718 -23.751 1.345 1.00 60.23 C ATOM 723 CG ARG A 46 6.183 -25.198 1.342 1.00 34.50 C ATOM 724 CD ARG A 46 5.537 -25.988 0.215 1.00 54.54 C ATOM 725 NE ARG A 46 6.380 -27.092 -0.234 1.00 74.02 N ATOM 726 CZ ARG A 46 5.998 -27.990 -1.134 1.00 73.42 C ATOM 727 NH1 ARG A 46 4.792 -27.915 -1.681 1.00 53.11 N1+ ATOM 728 NH2 ARG A 46 6.822 -28.968 -1.491 1.00 42.44 N ATOM 0 H ARG A 46 8.235 -22.675 0.484 1.00 33.25 H new ATOM 0 HA ARG A 46 5.627 -23.279 -0.750 1.00 13.25 H new ATOM 0 HB2 ARG A 46 6.081 -23.264 2.250 1.00 60.23 H new ATOM 0 HB3 ARG A 46 4.629 -23.728 1.386 1.00 60.23 H new ATOM 0 HG2 ARG A 46 7.267 -25.233 1.237 1.00 34.50 H new ATOM 0 HG3 ARG A 46 5.940 -25.661 2.298 1.00 34.50 H new ATOM 0 HD2 ARG A 46 4.577 -26.379 0.551 1.00 54.54 H new ATOM 0 HD3 ARG A 46 5.334 -25.322 -0.624 1.00 54.54 H new ATOM 0 HE ARG A 46 7.314 -27.178 0.166 1.00 74.02 H new ATOM 0 HH11 ARG A 46 4.155 -27.166 -1.410 1.00 53.11 H new ATOM 0 HH12 ARG A 46 4.502 -28.607 -2.372 1.00 53.11 H new ATOM 0 HH21 ARG A 46 7.751 -29.030 -1.074 1.00 42.44 H new ATOM 0 HH22 ARG A 46 6.526 -29.657 -2.183 1.00 42.44 H new ATOM 742 N VAL A 47 5.170 -20.864 -0.569 1.00 13.15 N ATOM 743 CA VAL A 47 4.842 -19.447 -0.475 1.00 40.55 C ATOM 744 C VAL A 47 3.477 -19.239 0.170 1.00 21.11 C ATOM 745 O VAL A 47 2.557 -20.034 -0.029 1.00 40.40 O ATOM 746 CB VAL A 47 4.847 -18.777 -1.863 1.00 43.43 C ATOM 747 CG1 VAL A 47 4.485 -17.304 -1.747 1.00 73.12 C ATOM 748 CG2 VAL A 47 6.203 -18.948 -2.531 1.00 3.11 C ATOM 0 H VAL A 47 4.777 -21.335 -1.384 1.00 13.15 H new ATOM 0 HA VAL A 47 5.609 -18.986 0.148 1.00 40.55 H new ATOM 0 HB VAL A 47 4.095 -19.264 -2.485 1.00 43.43 H new ATOM 0 HG11 VAL A 47 4.494 -16.848 -2.737 1.00 73.12 H new ATOM 0 HG12 VAL A 47 3.490 -17.207 -1.312 1.00 73.12 H new ATOM 0 HG13 VAL A 47 5.211 -16.800 -1.109 1.00 73.12 H new ATOM 0 HG21 VAL A 47 6.189 -18.469 -3.510 1.00 3.11 H new ATOM 0 HG22 VAL A 47 6.974 -18.488 -1.913 1.00 3.11 H new ATOM 0 HG23 VAL A 47 6.419 -20.010 -2.649 1.00 3.11 H new ATOM 758 N ASP A 48 3.352 -18.167 0.944 1.00 31.11 N ATOM 759 CA ASP A 48 2.098 -17.853 1.620 1.00 72.44 C ATOM 760 C ASP A 48 1.708 -16.396 1.393 1.00 70.23 C ATOM 761 O ASP A 48 2.304 -15.485 1.971 1.00 21.40 O ATOM 762 CB ASP A 48 2.216 -18.136 3.118 1.00 33.25 C ATOM 763 CG ASP A 48 0.891 -18.534 3.739 1.00 71.03 C ATOM 764 OD1 ASP A 48 0.111 -19.243 3.069 1.00 23.12 O ATOM 765 OD2 ASP A 48 0.635 -18.136 4.894 1.00 32.52 O1- ATOM 0 H ASP A 48 4.104 -17.500 1.119 1.00 31.11 H new ATOM 0 HA ASP A 48 1.318 -18.488 1.199 1.00 72.44 H new ATOM 0 HB2 ASP A 48 2.943 -18.933 3.278 1.00 33.25 H new ATOM 0 HB3 ASP A 48 2.599 -17.249 3.623 1.00 33.25 H new ATOM 770 N LEU A 49 0.704 -16.181 0.548 1.00 24.33 N ATOM 771 CA LEU A 49 0.236 -14.834 0.245 1.00 74.30 C ATOM 772 C LEU A 49 -0.695 -14.322 1.340 1.00 41.23 C ATOM 773 O LEU A 49 -1.558 -15.051 1.825 1.00 13.24 O ATOM 774 CB LEU A 49 -0.487 -14.817 -1.104 1.00 25.14 C ATOM 775 CG LEU A 49 -1.138 -13.492 -1.500 1.00 4.23 C ATOM 776 CD1 LEU A 49 -0.280 -12.758 -2.518 1.00 52.13 C ATOM 777 CD2 LEU A 49 -2.537 -13.727 -2.049 1.00 21.20 C ATOM 0 H LEU A 49 0.200 -16.922 0.062 1.00 24.33 H new ATOM 0 HA LEU A 49 1.104 -14.176 0.195 1.00 74.30 H new ATOM 0 HB2 LEU A 49 0.227 -15.094 -1.880 1.00 25.14 H new ATOM 0 HB3 LEU A 49 -1.258 -15.588 -1.090 1.00 25.14 H new ATOM 0 HG LEU A 49 -1.220 -12.870 -0.609 1.00 4.23 H new ATOM 0 HD11 LEU A 49 -0.760 -11.817 -2.788 1.00 52.13 H new ATOM 0 HD12 LEU A 49 0.701 -12.555 -2.088 1.00 52.13 H new ATOM 0 HD13 LEU A 49 -0.165 -13.375 -3.409 1.00 52.13 H new ATOM 0 HD21 LEU A 49 -2.984 -12.772 -2.325 1.00 21.20 H new ATOM 0 HD22 LEU A 49 -2.480 -14.369 -2.928 1.00 21.20 H new ATOM 0 HD23 LEU A 49 -3.151 -14.208 -1.287 1.00 21.20 H new ATOM 789 N ASN A 50 -0.514 -13.062 1.720 1.00 2.14 N ATOM 790 CA ASN A 50 -1.338 -12.450 2.757 1.00 51.24 C ATOM 791 C ASN A 50 -2.219 -11.350 2.173 1.00 73.32 C ATOM 792 O ASN A 50 -1.767 -10.225 1.960 1.00 30.13 O ATOM 793 CB ASN A 50 -0.456 -11.875 3.867 1.00 23.52 C ATOM 794 CG ASN A 50 0.027 -12.941 4.832 1.00 61.45 C ATOM 795 OD1 ASN A 50 0.056 -14.128 4.501 1.00 42.53 O ATOM 796 ND2 ASN A 50 0.409 -12.524 6.033 1.00 44.50 N ATOM 0 H ASN A 50 0.196 -12.444 1.326 1.00 2.14 H new ATOM 0 HA ASN A 50 -1.981 -13.223 3.177 1.00 51.24 H new ATOM 0 HB2 ASN A 50 0.404 -11.375 3.422 1.00 23.52 H new ATOM 0 HB3 ASN A 50 -1.015 -11.118 4.416 1.00 23.52 H new ATOM 0 HD21 ASN A 50 0.743 -13.196 6.724 1.00 44.50 H new ATOM 0 HD22 ASN A 50 0.369 -11.532 6.265 1.00 44.50 H new ATOM 803 N ARG A 51 -3.480 -11.684 1.916 1.00 0.13 N ATOM 804 CA ARG A 51 -4.425 -10.726 1.356 1.00 51.01 C ATOM 805 C ARG A 51 -4.768 -9.642 2.374 1.00 31.24 C ATOM 806 O ARG A 51 -5.382 -8.631 2.034 1.00 2.24 O ATOM 807 CB ARG A 51 -5.701 -11.439 0.905 1.00 21.12 C ATOM 808 CG ARG A 51 -6.468 -12.091 2.042 1.00 33.14 C ATOM 809 CD ARG A 51 -6.141 -13.572 2.159 1.00 3.53 C ATOM 810 NE ARG A 51 -7.286 -14.351 2.623 1.00 0.04 N ATOM 811 CZ ARG A 51 -7.237 -15.656 2.864 1.00 72.34 C ATOM 812 NH1 ARG A 51 -6.106 -16.325 2.685 1.00 33.11 N1+ ATOM 813 NH2 ARG A 51 -8.321 -16.295 3.284 1.00 73.32 N ATOM 0 H ARG A 51 -3.870 -12.611 2.087 1.00 0.13 H new ATOM 0 HA ARG A 51 -3.956 -10.254 0.492 1.00 51.01 H new ATOM 0 HB2 ARG A 51 -6.351 -10.721 0.404 1.00 21.12 H new ATOM 0 HB3 ARG A 51 -5.441 -12.200 0.170 1.00 21.12 H new ATOM 0 HG2 ARG A 51 -6.227 -11.589 2.979 1.00 33.14 H new ATOM 0 HG3 ARG A 51 -7.538 -11.966 1.879 1.00 33.14 H new ATOM 0 HD2 ARG A 51 -5.815 -13.949 1.189 1.00 3.53 H new ATOM 0 HD3 ARG A 51 -5.308 -13.706 2.849 1.00 3.53 H new ATOM 0 HE ARG A 51 -8.171 -13.866 2.770 1.00 0.04 H new ATOM 0 HH11 ARG A 51 -5.271 -15.837 2.361 1.00 33.11 H new ATOM 0 HH12 ARG A 51 -6.071 -17.327 2.871 1.00 33.11 H new ATOM 0 HH21 ARG A 51 -9.193 -15.784 3.422 1.00 73.32 H new ATOM 0 HH22 ARG A 51 -8.283 -17.297 3.469 1.00 73.32 H new ATOM 827 N GLU A 52 -4.368 -9.862 3.622 1.00 34.15 N ATOM 828 CA GLU A 52 -4.636 -8.905 4.689 1.00 24.22 C ATOM 829 C GLU A 52 -3.807 -7.638 4.503 1.00 0.20 C ATOM 830 O GLU A 52 -4.300 -6.525 4.692 1.00 22.35 O ATOM 831 CB GLU A 52 -4.332 -9.530 6.053 1.00 52.12 C ATOM 832 CG GLU A 52 -2.908 -10.045 6.184 1.00 75.31 C ATOM 833 CD GLU A 52 -2.662 -10.751 7.503 1.00 73.42 C ATOM 834 OE1 GLU A 52 -3.139 -10.250 8.543 1.00 52.33 O1- ATOM 835 OE2 GLU A 52 -1.992 -11.805 7.495 1.00 11.41 O ATOM 0 H GLU A 52 -3.858 -10.694 3.919 1.00 34.15 H new ATOM 0 HA GLU A 52 -5.692 -8.638 4.646 1.00 24.22 H new ATOM 0 HB2 GLU A 52 -4.514 -8.789 6.831 1.00 52.12 H new ATOM 0 HB3 GLU A 52 -5.025 -10.353 6.228 1.00 52.12 H new ATOM 0 HG2 GLU A 52 -2.697 -10.731 5.364 1.00 75.31 H new ATOM 0 HG3 GLU A 52 -2.214 -9.210 6.088 1.00 75.31 H new ATOM 842 N THR A 53 -2.543 -7.813 4.131 1.00 23.40 N ATOM 843 CA THR A 53 -1.644 -6.685 3.921 1.00 34.31 C ATOM 844 C THR A 53 -1.003 -6.743 2.539 1.00 54.44 C ATOM 845 O THR A 53 0.000 -6.080 2.280 1.00 31.00 O ATOM 846 CB THR A 53 -0.533 -6.645 4.987 1.00 73.11 C ATOM 847 OG1 THR A 53 0.318 -7.790 4.852 1.00 13.41 O ATOM 848 CG2 THR A 53 -1.128 -6.611 6.387 1.00 32.42 C ATOM 0 H THR A 53 -2.118 -8.726 3.969 1.00 23.40 H new ATOM 0 HA THR A 53 -2.248 -5.781 4.002 1.00 34.31 H new ATOM 0 HB THR A 53 0.053 -5.738 4.836 1.00 73.11 H new ATOM 0 HG1 THR A 53 1.023 -7.756 5.532 1.00 13.41 H new ATOM 0 HG21 THR A 53 -0.325 -6.583 7.123 1.00 32.42 H new ATOM 0 HG22 THR A 53 -1.751 -5.723 6.496 1.00 32.42 H new ATOM 0 HG23 THR A 53 -1.735 -7.502 6.546 1.00 32.42 H new ATOM 856 N GLY A 54 -1.591 -7.540 1.652 1.00 23.41 N ATOM 857 CA GLY A 54 -1.064 -7.670 0.306 1.00 44.31 C ATOM 858 C GLY A 54 0.413 -8.009 0.292 1.00 5.13 C ATOM 859 O GLY A 54 1.121 -7.694 -0.665 1.00 74.51 O ATOM 0 H GLY A 54 -2.423 -8.098 1.842 1.00 23.41 H new ATOM 0 HA2 GLY A 54 -1.617 -8.446 -0.224 1.00 44.31 H new ATOM 0 HA3 GLY A 54 -1.225 -6.738 -0.235 1.00 44.31 H new ATOM 863 N SER A 55 0.882 -8.651 1.357 1.00 33.40 N ATOM 864 CA SER A 55 2.286 -9.029 1.467 1.00 75.11 C ATOM 865 C SER A 55 2.493 -10.478 1.037 1.00 63.23 C ATOM 866 O SER A 55 1.532 -11.209 0.794 1.00 45.55 O ATOM 867 CB SER A 55 2.778 -8.836 2.903 1.00 55.25 C ATOM 868 OG SER A 55 4.046 -8.206 2.926 1.00 71.01 O ATOM 0 H SER A 55 0.309 -8.921 2.157 1.00 33.40 H new ATOM 0 HA SER A 55 2.863 -8.385 0.804 1.00 75.11 H new ATOM 0 HB2 SER A 55 2.059 -8.234 3.459 1.00 55.25 H new ATOM 0 HB3 SER A 55 2.839 -9.803 3.403 1.00 55.25 H new ATOM 0 HG SER A 55 4.338 -8.092 3.855 1.00 71.01 H new ATOM 874 N ILE A 56 3.754 -10.887 0.944 1.00 3.53 N ATOM 875 CA ILE A 56 4.090 -12.247 0.545 1.00 74.13 C ATOM 876 C ILE A 56 5.399 -12.701 1.181 1.00 0.40 C ATOM 877 O ILE A 56 6.341 -11.920 1.312 1.00 42.33 O ATOM 878 CB ILE A 56 4.206 -12.372 -0.986 1.00 73.52 C ATOM 879 CG1 ILE A 56 4.079 -13.837 -1.411 1.00 3.03 C ATOM 880 CG2 ILE A 56 5.525 -11.788 -1.467 1.00 41.12 C ATOM 881 CD1 ILE A 56 2.685 -14.218 -1.859 1.00 3.04 C ATOM 0 H ILE A 56 4.561 -10.294 1.140 1.00 3.53 H new ATOM 0 HA ILE A 56 3.279 -12.887 0.894 1.00 74.13 H new ATOM 0 HB ILE A 56 3.393 -11.808 -1.444 1.00 73.52 H new ATOM 0 HG12 ILE A 56 4.779 -14.033 -2.223 1.00 3.03 H new ATOM 0 HG13 ILE A 56 4.371 -14.475 -0.577 1.00 3.03 H new ATOM 0 HG21 ILE A 56 5.592 -11.884 -2.551 1.00 41.12 H new ATOM 0 HG22 ILE A 56 5.578 -10.735 -1.192 1.00 41.12 H new ATOM 0 HG23 ILE A 56 6.352 -12.326 -1.004 1.00 41.12 H new ATOM 0 HD11 ILE A 56 2.670 -15.270 -2.145 1.00 3.04 H new ATOM 0 HD12 ILE A 56 1.983 -14.054 -1.042 1.00 3.04 H new ATOM 0 HD13 ILE A 56 2.397 -13.605 -2.713 1.00 3.04 H new ATOM 893 N ARG A 57 5.451 -13.969 1.574 1.00 32.14 N ATOM 894 CA ARG A 57 6.645 -14.527 2.197 1.00 64.45 C ATOM 895 C ARG A 57 6.944 -15.920 1.647 1.00 32.01 C ATOM 896 O ARG A 57 6.072 -16.788 1.618 1.00 32.22 O ATOM 897 CB ARG A 57 6.472 -14.594 3.715 1.00 61.04 C ATOM 898 CG ARG A 57 6.360 -13.228 4.375 1.00 70.51 C ATOM 899 CD ARG A 57 7.705 -12.520 4.419 1.00 15.33 C ATOM 900 NE ARG A 57 7.580 -11.137 4.874 1.00 71.31 N ATOM 901 CZ ARG A 57 8.620 -10.351 5.130 1.00 72.11 C ATOM 902 NH1 ARG A 57 9.855 -10.808 4.976 1.00 34.40 N1+ ATOM 903 NH2 ARG A 57 8.425 -9.104 5.541 1.00 34.43 N ATOM 0 H ARG A 57 4.680 -14.629 1.472 1.00 32.14 H new ATOM 0 HA ARG A 57 7.485 -13.873 1.963 1.00 64.45 H new ATOM 0 HB2 ARG A 57 5.578 -15.174 3.945 1.00 61.04 H new ATOM 0 HB3 ARG A 57 7.319 -15.128 4.146 1.00 61.04 H new ATOM 0 HG2 ARG A 57 5.643 -12.616 3.828 1.00 70.51 H new ATOM 0 HG3 ARG A 57 5.974 -13.342 5.388 1.00 70.51 H new ATOM 0 HD2 ARG A 57 8.378 -13.061 5.084 1.00 15.33 H new ATOM 0 HD3 ARG A 57 8.156 -12.536 3.427 1.00 15.33 H new ATOM 0 HE ARG A 57 6.643 -10.754 5.002 1.00 71.31 H new ATOM 0 HH11 ARG A 57 10.009 -11.766 4.660 1.00 34.40 H new ATOM 0 HH12 ARG A 57 10.651 -10.202 5.173 1.00 34.40 H new ATOM 0 HH21 ARG A 57 7.476 -8.749 5.660 1.00 34.43 H new ATOM 0 HH22 ARG A 57 9.224 -8.501 5.737 1.00 34.43 H new ATOM 917 N VAL A 58 8.183 -16.125 1.212 1.00 42.34 N ATOM 918 CA VAL A 58 8.598 -17.411 0.664 1.00 43.54 C ATOM 919 C VAL A 58 9.508 -18.154 1.635 1.00 10.15 C ATOM 920 O VAL A 58 10.599 -17.687 1.963 1.00 73.04 O ATOM 921 CB VAL A 58 9.331 -17.238 -0.679 1.00 23.50 C ATOM 922 CG1 VAL A 58 9.472 -18.578 -1.387 1.00 55.51 C ATOM 923 CG2 VAL A 58 8.602 -16.235 -1.560 1.00 4.35 C ATOM 0 H VAL A 58 8.917 -15.417 1.228 1.00 42.34 H new ATOM 0 HA VAL A 58 7.691 -17.994 0.502 1.00 43.54 H new ATOM 0 HB VAL A 58 10.331 -16.852 -0.480 1.00 23.50 H new ATOM 0 HG11 VAL A 58 9.992 -18.436 -2.334 1.00 55.51 H new ATOM 0 HG12 VAL A 58 10.042 -19.263 -0.759 1.00 55.51 H new ATOM 0 HG13 VAL A 58 8.483 -18.996 -1.575 1.00 55.51 H new ATOM 0 HG21 VAL A 58 9.135 -16.126 -2.505 1.00 4.35 H new ATOM 0 HG22 VAL A 58 7.589 -16.589 -1.753 1.00 4.35 H new ATOM 0 HG23 VAL A 58 8.559 -15.270 -1.054 1.00 4.35 H new ATOM 933 N PHE A 59 9.052 -19.316 2.093 1.00 1.31 N ATOM 934 CA PHE A 59 9.824 -20.125 3.029 1.00 44.44 C ATOM 935 C PHE A 59 10.161 -21.484 2.422 1.00 1.24 C ATOM 936 O PHE A 59 9.377 -22.047 1.659 1.00 3.23 O ATOM 937 CB PHE A 59 9.049 -20.314 4.334 1.00 43.13 C ATOM 938 CG PHE A 59 8.635 -19.022 4.978 1.00 34.01 C ATOM 939 CD1 PHE A 59 9.534 -18.295 5.743 1.00 52.45 C ATOM 940 CD2 PHE A 59 7.348 -18.534 4.819 1.00 45.01 C ATOM 941 CE1 PHE A 59 9.155 -17.106 6.337 1.00 33.32 C ATOM 942 CE2 PHE A 59 6.964 -17.345 5.410 1.00 52.11 C ATOM 943 CZ PHE A 59 7.869 -16.630 6.170 1.00 33.22 C ATOM 0 H PHE A 59 8.152 -19.718 1.831 1.00 1.31 H new ATOM 0 HA PHE A 59 10.755 -19.600 3.242 1.00 44.44 H new ATOM 0 HB2 PHE A 59 8.160 -20.913 4.136 1.00 43.13 H new ATOM 0 HB3 PHE A 59 9.664 -20.879 5.034 1.00 43.13 H new ATOM 0 HD1 PHE A 59 10.541 -18.662 5.876 1.00 52.45 H new ATOM 0 HD2 PHE A 59 6.636 -19.089 4.226 1.00 45.01 H new ATOM 0 HE1 PHE A 59 9.864 -16.549 6.932 1.00 33.32 H new ATOM 0 HE2 PHE A 59 5.958 -16.976 5.278 1.00 52.11 H new ATOM 0 HZ PHE A 59 7.572 -15.701 6.633 1.00 33.22 H new ATOM 953 N ALA A 60 11.334 -22.005 2.768 1.00 64.33 N ATOM 954 CA ALA A 60 11.775 -23.298 2.260 1.00 61.55 C ATOM 955 C ALA A 60 11.537 -24.401 3.286 1.00 45.11 C ATOM 956 O ALA A 60 11.905 -24.265 4.453 1.00 31.21 O ATOM 957 CB ALA A 60 13.245 -23.240 1.874 1.00 21.41 C ATOM 0 H ALA A 60 11.996 -21.551 3.398 1.00 64.33 H new ATOM 0 HA ALA A 60 11.187 -23.532 1.372 1.00 61.55 H new ATOM 0 HB1 ALA A 60 13.561 -24.213 1.496 1.00 21.41 H new ATOM 0 HB2 ALA A 60 13.388 -22.486 1.100 1.00 21.41 H new ATOM 0 HB3 ALA A 60 13.841 -22.980 2.749 1.00 21.41 H new ATOM 963 N ARG A 61 10.922 -25.493 2.843 1.00 41.23 N ATOM 964 CA ARG A 61 10.635 -26.618 3.724 1.00 72.14 C ATOM 965 C ARG A 61 11.742 -27.665 3.647 1.00 20.13 C ATOM 966 O ARG A 61 11.870 -28.378 2.651 1.00 1.01 O ATOM 967 CB ARG A 61 9.292 -27.252 3.355 1.00 64.24 C ATOM 968 CG ARG A 61 8.709 -28.126 4.453 1.00 32.03 C ATOM 969 CD ARG A 61 7.356 -28.694 4.054 1.00 70.43 C ATOM 970 NE ARG A 61 6.280 -27.721 4.226 1.00 4.21 N ATOM 971 CZ ARG A 61 4.991 -28.026 4.134 1.00 31.53 C ATOM 972 NH1 ARG A 61 4.618 -29.272 3.874 1.00 71.04 N1+ ATOM 973 NH2 ARG A 61 4.071 -27.085 4.304 1.00 24.30 N ATOM 0 H ARG A 61 10.613 -25.622 1.879 1.00 41.23 H new ATOM 0 HA ARG A 61 10.584 -26.243 4.746 1.00 72.14 H new ATOM 0 HB2 ARG A 61 8.581 -26.462 3.115 1.00 64.24 H new ATOM 0 HB3 ARG A 61 9.418 -27.852 2.454 1.00 64.24 H new ATOM 0 HG2 ARG A 61 9.397 -28.942 4.673 1.00 32.03 H new ATOM 0 HG3 ARG A 61 8.604 -27.542 5.367 1.00 32.03 H new ATOM 0 HD2 ARG A 61 7.391 -29.015 3.013 1.00 70.43 H new ATOM 0 HD3 ARG A 61 7.143 -29.579 4.654 1.00 70.43 H new ATOM 0 HE ARG A 61 6.533 -26.754 4.428 1.00 4.21 H new ATOM 0 HH11 ARG A 61 5.322 -29.999 3.744 1.00 71.04 H new ATOM 0 HH12 ARG A 61 3.627 -29.504 3.804 1.00 71.04 H new ATOM 0 HH21 ARG A 61 4.354 -26.126 4.506 1.00 24.30 H new ATOM 0 HH22 ARG A 61 3.081 -27.321 4.233 1.00 24.30 H new ATOM 987 N LYS A 62 12.540 -27.753 4.705 1.00 10.33 N ATOM 988 CA LYS A 62 13.637 -28.712 4.760 1.00 21.43 C ATOM 989 C LYS A 62 13.269 -29.910 5.629 1.00 75.40 C ATOM 990 O LYS A 62 12.626 -29.761 6.669 1.00 2.42 O ATOM 991 CB LYS A 62 14.901 -28.044 5.304 1.00 43.22 C ATOM 992 CG LYS A 62 15.745 -27.376 4.233 1.00 41.54 C ATOM 993 CD LYS A 62 16.570 -26.235 4.804 1.00 43.23 C ATOM 994 CE LYS A 62 17.689 -25.828 3.857 1.00 43.44 C ATOM 995 NZ LYS A 62 18.707 -24.978 4.533 1.00 24.24 N1+ ATOM 0 H LYS A 62 12.448 -27.171 5.537 1.00 10.33 H new ATOM 0 HA LYS A 62 13.828 -29.065 3.746 1.00 21.43 H new ATOM 0 HB2 LYS A 62 14.617 -27.299 6.048 1.00 43.22 H new ATOM 0 HB3 LYS A 62 15.505 -28.792 5.817 1.00 43.22 H new ATOM 0 HG2 LYS A 62 16.407 -28.113 3.778 1.00 41.54 H new ATOM 0 HG3 LYS A 62 15.098 -26.998 3.442 1.00 41.54 H new ATOM 0 HD2 LYS A 62 15.924 -25.378 4.996 1.00 43.23 H new ATOM 0 HD3 LYS A 62 16.994 -26.535 5.762 1.00 43.23 H new ATOM 0 HE2 LYS A 62 18.169 -26.721 3.458 1.00 43.44 H new ATOM 0 HE3 LYS A 62 17.268 -25.286 3.010 1.00 43.44 H new ATOM 0 HZ1 LYS A 62 19.452 -24.722 3.854 1.00 24.24 H new ATOM 0 HZ2 LYS A 62 18.254 -24.113 4.892 1.00 24.24 H new ATOM 0 HZ3 LYS A 62 19.127 -25.504 5.326 1.00 24.24 H new ATOM 1009 N ASP A 63 13.679 -31.097 5.197 1.00 23.54 N ATOM 1010 CA ASP A 63 13.395 -32.321 5.939 1.00 42.41 C ATOM 1011 C ASP A 63 14.280 -32.424 7.177 1.00 73.33 C ATOM 1012 O ASP A 63 15.507 -32.437 7.077 1.00 62.32 O ATOM 1013 CB ASP A 63 13.604 -33.544 5.044 1.00 73.01 C ATOM 1014 CG ASP A 63 12.666 -34.683 5.394 1.00 64.14 C ATOM 1015 OD1 ASP A 63 11.437 -34.497 5.277 1.00 60.22 O1- ATOM 1016 OD2 ASP A 63 13.161 -35.761 5.785 1.00 40.11 O ATOM 0 H ASP A 63 14.209 -31.238 4.337 1.00 23.54 H new ATOM 0 HA ASP A 63 12.354 -32.289 6.261 1.00 42.41 H new ATOM 0 HB2 ASP A 63 13.453 -33.259 4.003 1.00 73.01 H new ATOM 0 HB3 ASP A 63 14.635 -33.885 5.134 1.00 73.01 H new ATOM 1021 N VAL A 64 13.648 -32.497 8.344 1.00 22.25 N ATOM 1022 CA VAL A 64 14.378 -32.600 9.603 1.00 63.30 C ATOM 1023 C VAL A 64 14.681 -34.054 9.946 1.00 51.12 C ATOM 1024 O VAL A 64 13.790 -34.810 10.335 1.00 75.14 O ATOM 1025 CB VAL A 64 13.588 -31.964 10.763 1.00 43.02 C ATOM 1026 CG1 VAL A 64 14.412 -31.981 12.042 1.00 52.52 C ATOM 1027 CG2 VAL A 64 13.171 -30.545 10.406 1.00 14.04 C ATOM 0 H VAL A 64 12.633 -32.487 8.444 1.00 22.25 H new ATOM 0 HA VAL A 64 15.315 -32.059 9.471 1.00 63.30 H new ATOM 0 HB VAL A 64 12.686 -32.552 10.933 1.00 43.02 H new ATOM 0 HG11 VAL A 64 13.838 -31.528 12.850 1.00 52.52 H new ATOM 0 HG12 VAL A 64 14.657 -33.010 12.303 1.00 52.52 H new ATOM 0 HG13 VAL A 64 15.332 -31.417 11.890 1.00 52.52 H new ATOM 0 HG21 VAL A 64 12.614 -30.110 11.236 1.00 14.04 H new ATOM 0 HG22 VAL A 64 14.059 -29.943 10.210 1.00 14.04 H new ATOM 0 HG23 VAL A 64 12.541 -30.564 9.516 1.00 14.04 H new ATOM 1037 N VAL A 65 15.944 -34.441 9.800 1.00 11.54 N ATOM 1038 CA VAL A 65 16.366 -35.805 10.096 1.00 13.21 C ATOM 1039 C VAL A 65 17.747 -35.825 10.741 1.00 31.21 C ATOM 1040 O VAL A 65 18.603 -35.000 10.424 1.00 25.11 O ATOM 1041 CB VAL A 65 16.392 -36.673 8.824 1.00 54.34 C ATOM 1042 CG1 VAL A 65 14.993 -36.812 8.244 1.00 54.12 C ATOM 1043 CG2 VAL A 65 17.347 -36.083 7.797 1.00 31.51 C ATOM 0 H VAL A 65 16.694 -33.829 9.478 1.00 11.54 H new ATOM 0 HA VAL A 65 15.637 -36.218 10.793 1.00 13.21 H new ATOM 0 HB VAL A 65 16.749 -37.668 9.091 1.00 54.34 H new ATOM 0 HG11 VAL A 65 15.031 -37.428 7.346 1.00 54.12 H new ATOM 0 HG12 VAL A 65 14.339 -37.282 8.979 1.00 54.12 H new ATOM 0 HG13 VAL A 65 14.604 -35.826 7.991 1.00 54.12 H new ATOM 0 HG21 VAL A 65 17.353 -36.709 6.904 1.00 31.51 H new ATOM 0 HG22 VAL A 65 17.021 -35.077 7.533 1.00 31.51 H new ATOM 0 HG23 VAL A 65 18.352 -36.040 8.217 1.00 31.51 H new ATOM 1053 N ASP A 66 17.956 -36.774 11.647 1.00 62.52 N ATOM 1054 CA ASP A 66 19.234 -36.904 12.336 1.00 23.33 C ATOM 1055 C ASP A 66 20.354 -37.221 11.349 1.00 21.04 C ATOM 1056 O ASP A 66 21.526 -36.963 11.622 1.00 0.24 O ATOM 1057 CB ASP A 66 19.154 -37.997 13.403 1.00 11.32 C ATOM 1058 CG ASP A 66 20.521 -38.412 13.912 1.00 10.50 C ATOM 1059 OD1 ASP A 66 21.080 -37.692 14.768 1.00 75.33 O1- ATOM 1060 OD2 ASP A 66 21.032 -39.455 13.455 1.00 32.13 O ATOM 0 H ASP A 66 17.257 -37.464 11.921 1.00 62.52 H new ATOM 0 HA ASP A 66 19.457 -35.952 12.818 1.00 23.33 H new ATOM 0 HB2 ASP A 66 18.551 -37.641 14.239 1.00 11.32 H new ATOM 0 HB3 ASP A 66 18.644 -38.867 12.990 1.00 11.32 H new ATOM 1065 N GLU A 67 19.985 -37.784 10.203 1.00 15.03 N ATOM 1066 CA GLU A 67 20.958 -38.137 9.177 1.00 31.11 C ATOM 1067 C GLU A 67 20.504 -37.651 7.804 1.00 50.23 C ATOM 1068 O GLU A 67 19.439 -38.032 7.319 1.00 63.43 O ATOM 1069 CB GLU A 67 21.174 -39.653 9.148 1.00 55.42 C ATOM 1070 CG GLU A 67 21.979 -40.175 10.326 1.00 72.25 C ATOM 1071 CD GLU A 67 22.634 -41.512 10.036 1.00 31.21 C ATOM 1072 OE1 GLU A 67 22.293 -42.130 9.006 1.00 25.33 O1- ATOM 1073 OE2 GLU A 67 23.488 -41.940 10.842 1.00 71.05 O ATOM 0 H GLU A 67 19.019 -38.005 9.962 1.00 15.03 H new ATOM 0 HA GLU A 67 21.900 -37.647 9.423 1.00 31.11 H new ATOM 0 HB2 GLU A 67 20.204 -40.150 9.133 1.00 55.42 H new ATOM 0 HB3 GLU A 67 21.684 -39.921 8.223 1.00 55.42 H new ATOM 0 HG2 GLU A 67 22.747 -39.447 10.588 1.00 72.25 H new ATOM 0 HG3 GLU A 67 21.326 -40.275 11.193 1.00 72.25 H new ATOM 1080 N VAL A 68 21.320 -36.804 7.183 1.00 15.43 N ATOM 1081 CA VAL A 68 21.002 -36.264 5.866 1.00 65.11 C ATOM 1082 C VAL A 68 20.774 -37.382 4.855 1.00 4.00 C ATOM 1083 O VAL A 68 21.704 -38.101 4.488 1.00 42.11 O ATOM 1084 CB VAL A 68 22.125 -35.343 5.353 1.00 61.52 C ATOM 1085 CG1 VAL A 68 21.797 -34.827 3.960 1.00 71.34 C ATOM 1086 CG2 VAL A 68 22.351 -34.189 6.318 1.00 63.52 C ATOM 0 H VAL A 68 22.205 -36.477 7.571 1.00 15.43 H new ATOM 0 HA VAL A 68 20.086 -35.683 5.973 1.00 65.11 H new ATOM 0 HB VAL A 68 23.047 -35.922 5.293 1.00 61.52 H new ATOM 0 HG11 VAL A 68 22.601 -34.178 3.614 1.00 71.34 H new ATOM 0 HG12 VAL A 68 21.690 -35.669 3.276 1.00 71.34 H new ATOM 0 HG13 VAL A 68 20.864 -34.264 3.991 1.00 71.34 H new ATOM 0 HG21 VAL A 68 23.148 -33.549 5.939 1.00 63.52 H new ATOM 0 HG22 VAL A 68 21.433 -33.609 6.412 1.00 63.52 H new ATOM 0 HG23 VAL A 68 22.634 -34.582 7.295 1.00 63.52 H new ATOM 1096 N TYR A 69 19.532 -37.522 4.407 1.00 32.10 N ATOM 1097 CA TYR A 69 19.180 -38.554 3.439 1.00 32.14 C ATOM 1098 C TYR A 69 18.692 -37.933 2.134 1.00 61.22 C ATOM 1099 O TYR A 69 18.671 -38.588 1.091 1.00 10.20 O ATOM 1100 CB TYR A 69 18.101 -39.475 4.013 1.00 62.24 C ATOM 1101 CG TYR A 69 18.656 -40.628 4.820 1.00 44.51 C ATOM 1102 CD1 TYR A 69 19.289 -41.696 4.198 1.00 73.44 C ATOM 1103 CD2 TYR A 69 18.548 -40.645 6.205 1.00 23.33 C ATOM 1104 CE1 TYR A 69 19.796 -42.751 4.931 1.00 1.01 C ATOM 1105 CE2 TYR A 69 19.054 -41.696 6.947 1.00 60.10 C ATOM 1106 CZ TYR A 69 19.677 -42.746 6.305 1.00 34.24 C ATOM 1107 OH TYR A 69 20.182 -43.794 7.040 1.00 60.13 O ATOM 0 H TYR A 69 18.751 -36.934 4.699 1.00 32.10 H new ATOM 0 HA TYR A 69 20.075 -39.140 3.229 1.00 32.14 H new ATOM 0 HB2 TYR A 69 17.433 -38.889 4.644 1.00 62.24 H new ATOM 0 HB3 TYR A 69 17.500 -39.871 3.194 1.00 62.24 H new ATOM 0 HD1 TYR A 69 19.387 -41.702 3.122 1.00 73.44 H new ATOM 0 HD2 TYR A 69 18.061 -39.824 6.710 1.00 23.33 H new ATOM 0 HE1 TYR A 69 20.283 -43.575 4.431 1.00 1.01 H new ATOM 0 HE2 TYR A 69 18.962 -41.695 8.023 1.00 60.10 H new ATOM 0 HH TYR A 69 20.827 -43.454 7.694 1.00 60.13 H new ATOM 1117 N ASP A 70 18.300 -36.665 2.200 1.00 20.02 N ATOM 1118 CA ASP A 70 17.814 -35.952 1.024 1.00 33.31 C ATOM 1119 C ASP A 70 18.797 -34.866 0.601 1.00 24.14 C ATOM 1120 O ASP A 70 18.686 -33.716 1.026 1.00 24.10 O ATOM 1121 CB ASP A 70 16.444 -35.335 1.306 1.00 13.03 C ATOM 1122 CG ASP A 70 15.393 -36.379 1.632 1.00 63.42 C ATOM 1123 OD1 ASP A 70 15.499 -37.509 1.110 1.00 60.34 O ATOM 1124 OD2 ASP A 70 14.467 -36.068 2.409 1.00 62.25 O1- ATOM 0 H ASP A 70 18.309 -36.110 3.056 1.00 20.02 H new ATOM 0 HA ASP A 70 17.720 -36.669 0.208 1.00 33.31 H new ATOM 0 HB2 ASP A 70 16.528 -34.636 2.138 1.00 13.03 H new ATOM 0 HB3 ASP A 70 16.123 -34.759 0.438 1.00 13.03 H new ATOM 1129 N GLN A 71 19.760 -35.240 -0.235 1.00 45.13 N ATOM 1130 CA GLN A 71 20.765 -34.296 -0.713 1.00 73.34 C ATOM 1131 C GLN A 71 20.106 -33.068 -1.333 1.00 44.25 C ATOM 1132 O GLN A 71 20.605 -31.950 -1.197 1.00 55.10 O ATOM 1133 CB GLN A 71 21.680 -34.970 -1.737 1.00 71.25 C ATOM 1134 CG GLN A 71 22.798 -34.070 -2.238 1.00 52.44 C ATOM 1135 CD GLN A 71 23.961 -34.851 -2.816 1.00 44.52 C ATOM 1136 OE1 GLN A 71 24.203 -34.825 -4.024 1.00 34.54 O ATOM 1137 NE2 GLN A 71 24.691 -35.551 -1.955 1.00 51.40 N ATOM 0 H GLN A 71 19.866 -36.188 -0.595 1.00 45.13 H new ATOM 0 HA GLN A 71 21.361 -33.974 0.141 1.00 73.34 H new ATOM 0 HB2 GLN A 71 22.116 -35.863 -1.290 1.00 71.25 H new ATOM 0 HB3 GLN A 71 21.081 -35.299 -2.586 1.00 71.25 H new ATOM 0 HG2 GLN A 71 22.404 -33.396 -2.999 1.00 52.44 H new ATOM 0 HG3 GLN A 71 23.155 -33.449 -1.417 1.00 52.44 H new ATOM 0 HE21 GLN A 71 24.455 -35.544 -0.963 1.00 51.40 H new ATOM 0 HE22 GLN A 71 25.488 -36.095 -2.286 1.00 51.40 H new ATOM 1146 N ARG A 72 18.985 -33.284 -2.014 1.00 4.45 N ATOM 1147 CA ARG A 72 18.260 -32.193 -2.656 1.00 31.14 C ATOM 1148 C ARG A 72 17.837 -31.144 -1.631 1.00 3.13 C ATOM 1149 O ARG A 72 17.945 -29.942 -1.877 1.00 25.45 O ATOM 1150 CB ARG A 72 17.029 -32.733 -3.387 1.00 14.31 C ATOM 1151 CG ARG A 72 16.116 -33.572 -2.506 1.00 43.23 C ATOM 1152 CD ARG A 72 14.984 -34.192 -3.310 1.00 44.31 C ATOM 1153 NE ARG A 72 15.421 -35.373 -4.049 1.00 31.03 N ATOM 1154 CZ ARG A 72 15.687 -36.542 -3.476 1.00 1.35 C ATOM 1155 NH1 ARG A 72 15.561 -36.684 -2.164 1.00 20.14 N1+ ATOM 1156 NH2 ARG A 72 16.080 -37.571 -4.215 1.00 72.31 N ATOM 0 H ARG A 72 18.559 -34.203 -2.135 1.00 4.45 H new ATOM 0 HA ARG A 72 18.926 -31.722 -3.378 1.00 31.14 H new ATOM 0 HB2 ARG A 72 16.460 -31.895 -3.791 1.00 14.31 H new ATOM 0 HB3 ARG A 72 17.356 -33.335 -4.235 1.00 14.31 H new ATOM 0 HG2 ARG A 72 16.696 -34.359 -2.025 1.00 43.23 H new ATOM 0 HG3 ARG A 72 15.702 -32.950 -1.712 1.00 43.23 H new ATOM 0 HD2 ARG A 72 14.170 -34.465 -2.639 1.00 44.31 H new ATOM 0 HD3 ARG A 72 14.588 -33.454 -4.007 1.00 44.31 H new ATOM 0 HE ARG A 72 15.528 -35.296 -5.060 1.00 31.03 H new ATOM 0 HH11 ARG A 72 15.259 -35.895 -1.592 1.00 20.14 H new ATOM 0 HH12 ARG A 72 15.766 -37.582 -1.726 1.00 20.14 H new ATOM 0 HH21 ARG A 72 16.178 -37.466 -5.225 1.00 72.31 H new ATOM 0 HH22 ARG A 72 16.284 -38.468 -3.774 1.00 72.31 H new ATOM 1170 N LEU A 73 17.354 -31.607 -0.483 1.00 3.20 N ATOM 1171 CA LEU A 73 16.915 -30.709 0.580 1.00 51.45 C ATOM 1172 C LEU A 73 16.782 -31.455 1.903 1.00 42.22 C ATOM 1173 O LEU A 73 16.012 -32.408 2.013 1.00 32.31 O ATOM 1174 CB LEU A 73 15.578 -30.063 0.208 1.00 24.54 C ATOM 1175 CG LEU A 73 14.396 -31.018 0.040 1.00 44.12 C ATOM 1176 CD1 LEU A 73 13.551 -31.049 1.304 1.00 70.54 C ATOM 1177 CD2 LEU A 73 13.551 -30.614 -1.160 1.00 14.14 C ATOM 0 H LEU A 73 17.256 -32.599 -0.264 1.00 3.20 H new ATOM 0 HA LEU A 73 17.668 -29.930 0.698 1.00 51.45 H new ATOM 0 HB2 LEU A 73 15.323 -29.333 0.977 1.00 24.54 H new ATOM 0 HB3 LEU A 73 15.710 -29.512 -0.723 1.00 24.54 H new ATOM 0 HG LEU A 73 14.785 -32.021 -0.136 1.00 44.12 H new ATOM 0 HD11 LEU A 73 12.714 -31.734 1.166 1.00 70.54 H new ATOM 0 HD12 LEU A 73 14.162 -31.386 2.142 1.00 70.54 H new ATOM 0 HD13 LEU A 73 13.170 -30.049 1.512 1.00 70.54 H new ATOM 0 HD21 LEU A 73 12.714 -31.305 -1.265 1.00 14.14 H new ATOM 0 HD22 LEU A 73 13.171 -29.603 -1.014 1.00 14.14 H new ATOM 0 HD23 LEU A 73 14.162 -30.645 -2.062 1.00 14.14 H new ATOM 1189 N GLU A 74 17.536 -31.013 2.905 1.00 52.14 N ATOM 1190 CA GLU A 74 17.500 -31.639 4.221 1.00 53.33 C ATOM 1191 C GLU A 74 18.121 -30.725 5.274 1.00 31.14 C ATOM 1192 O GLU A 74 18.921 -29.846 4.955 1.00 54.40 O ATOM 1193 CB GLU A 74 18.239 -32.978 4.193 1.00 34.50 C ATOM 1194 CG GLU A 74 18.149 -33.750 5.499 1.00 5.55 C ATOM 1195 CD GLU A 74 19.278 -33.411 6.454 1.00 50.11 C ATOM 1196 OE1 GLU A 74 20.056 -32.482 6.150 1.00 53.23 O ATOM 1197 OE2 GLU A 74 19.384 -34.075 7.507 1.00 54.12 O1- ATOM 0 H GLU A 74 18.179 -30.224 2.830 1.00 52.14 H new ATOM 0 HA GLU A 74 16.457 -31.813 4.485 1.00 53.33 H new ATOM 0 HB2 GLU A 74 17.832 -33.591 3.389 1.00 34.50 H new ATOM 0 HB3 GLU A 74 19.288 -32.800 3.958 1.00 34.50 H new ATOM 0 HG2 GLU A 74 17.194 -33.535 5.979 1.00 5.55 H new ATOM 0 HG3 GLU A 74 18.165 -34.819 5.287 1.00 5.55 H new ATOM 1204 N ILE A 75 17.746 -30.942 6.531 1.00 62.14 N ATOM 1205 CA ILE A 75 18.266 -30.139 7.631 1.00 30.31 C ATOM 1206 C ILE A 75 18.524 -30.999 8.865 1.00 75.04 C ATOM 1207 O ILE A 75 17.632 -31.699 9.343 1.00 14.04 O ATOM 1208 CB ILE A 75 17.297 -29.002 8.005 1.00 50.21 C ATOM 1209 CG1 ILE A 75 17.803 -28.259 9.242 1.00 4.55 C ATOM 1210 CG2 ILE A 75 15.900 -29.554 8.247 1.00 62.41 C ATOM 1211 CD1 ILE A 75 17.745 -26.752 9.108 1.00 31.35 C ATOM 0 H ILE A 75 17.085 -31.666 6.812 1.00 62.14 H new ATOM 0 HA ILE A 75 19.206 -29.706 7.289 1.00 30.31 H new ATOM 0 HB ILE A 75 17.249 -28.298 7.175 1.00 50.21 H new ATOM 0 HG12 ILE A 75 17.211 -28.562 10.105 1.00 4.55 H new ATOM 0 HG13 ILE A 75 18.832 -28.559 9.440 1.00 4.55 H new ATOM 0 HG21 ILE A 75 15.227 -28.738 8.510 1.00 62.41 H new ATOM 0 HG22 ILE A 75 15.540 -30.043 7.342 1.00 62.41 H new ATOM 0 HG23 ILE A 75 15.931 -30.277 9.062 1.00 62.41 H new ATOM 0 HD11 ILE A 75 18.119 -26.291 10.022 1.00 31.35 H new ATOM 0 HD12 ILE A 75 18.360 -26.438 8.265 1.00 31.35 H new ATOM 0 HD13 ILE A 75 16.714 -26.441 8.940 1.00 31.35 H new ATOM 1223 N SER A 76 19.749 -30.939 9.376 1.00 72.03 N ATOM 1224 CA SER A 76 20.125 -31.713 10.552 1.00 2.32 C ATOM 1225 C SER A 76 19.233 -31.366 11.739 1.00 11.44 C ATOM 1226 O SER A 76 18.952 -30.195 11.996 1.00 13.53 O ATOM 1227 CB SER A 76 21.590 -31.458 10.910 1.00 63.42 C ATOM 1228 OG SER A 76 21.719 -30.337 11.767 1.00 63.00 O ATOM 0 H SER A 76 20.498 -30.362 8.994 1.00 72.03 H new ATOM 0 HA SER A 76 19.994 -32.769 10.317 1.00 2.32 H new ATOM 0 HB2 SER A 76 22.008 -32.340 11.395 1.00 63.42 H new ATOM 0 HB3 SER A 76 22.166 -31.292 10.000 1.00 63.42 H new ATOM 0 HG SER A 76 22.666 -30.099 11.854 1.00 63.00 H new ATOM 1234 N ILE A 77 18.790 -32.391 12.459 1.00 32.21 N ATOM 1235 CA ILE A 77 17.930 -32.195 13.620 1.00 42.24 C ATOM 1236 C ILE A 77 18.523 -31.164 14.575 1.00 3.30 C ATOM 1237 O ILE A 77 17.797 -30.380 15.186 1.00 62.34 O ATOM 1238 CB ILE A 77 17.703 -33.513 14.381 1.00 2.05 C ATOM 1239 CG1 ILE A 77 16.792 -33.280 15.590 1.00 61.14 C ATOM 1240 CG2 ILE A 77 19.032 -34.108 14.821 1.00 44.33 C ATOM 1241 CD1 ILE A 77 15.404 -32.808 15.217 1.00 2.10 C ATOM 0 H ILE A 77 19.012 -33.366 12.259 1.00 32.21 H new ATOM 0 HA ILE A 77 16.973 -31.832 13.246 1.00 42.24 H new ATOM 0 HB ILE A 77 17.214 -34.221 13.712 1.00 2.05 H new ATOM 0 HG12 ILE A 77 16.712 -34.207 16.158 1.00 61.14 H new ATOM 0 HG13 ILE A 77 17.254 -32.542 16.246 1.00 61.14 H new ATOM 0 HG21 ILE A 77 18.854 -35.040 15.358 1.00 44.33 H new ATOM 0 HG22 ILE A 77 19.650 -34.306 13.945 1.00 44.33 H new ATOM 0 HG23 ILE A 77 19.546 -33.405 15.476 1.00 44.33 H new ATOM 0 HD11 ILE A 77 14.814 -32.663 16.122 1.00 2.10 H new ATOM 0 HD12 ILE A 77 15.474 -31.865 14.675 1.00 2.10 H new ATOM 0 HD13 ILE A 77 14.923 -33.555 14.585 1.00 2.10 H new ATOM 1253 N GLU A 78 19.847 -31.171 14.697 1.00 30.11 N ATOM 1254 CA GLU A 78 20.537 -30.236 15.578 1.00 0.34 C ATOM 1255 C GLU A 78 20.512 -28.825 15.000 1.00 42.21 C ATOM 1256 O GLU A 78 20.448 -27.842 15.737 1.00 45.21 O ATOM 1257 CB GLU A 78 21.983 -30.683 15.800 1.00 12.10 C ATOM 1258 CG GLU A 78 22.790 -30.793 14.517 1.00 52.02 C ATOM 1259 CD GLU A 78 24.150 -31.427 14.735 1.00 3.31 C ATOM 1260 OE1 GLU A 78 25.025 -30.762 15.329 1.00 44.14 O ATOM 1261 OE2 GLU A 78 24.339 -32.587 14.314 1.00 41.43 O1- ATOM 0 H GLU A 78 20.462 -31.813 14.197 1.00 30.11 H new ATOM 0 HA GLU A 78 20.016 -30.227 16.536 1.00 0.34 H new ATOM 0 HB2 GLU A 78 22.474 -29.976 16.469 1.00 12.10 H new ATOM 0 HB3 GLU A 78 21.982 -31.650 16.303 1.00 12.10 H new ATOM 0 HG2 GLU A 78 22.231 -31.382 13.790 1.00 52.02 H new ATOM 0 HG3 GLU A 78 22.921 -29.799 14.088 1.00 52.02 H new ATOM 1268 N GLU A 79 20.563 -28.733 13.674 1.00 34.12 N ATOM 1269 CA GLU A 79 20.547 -27.442 12.997 1.00 41.22 C ATOM 1270 C GLU A 79 19.249 -26.693 13.283 1.00 73.11 C ATOM 1271 O GLU A 79 19.267 -25.528 13.678 1.00 3.25 O ATOM 1272 CB GLU A 79 20.718 -27.631 11.488 1.00 40.51 C ATOM 1273 CG GLU A 79 20.636 -26.334 10.699 1.00 71.40 C ATOM 1274 CD GLU A 79 21.817 -25.419 10.957 1.00 23.32 C ATOM 1275 OE1 GLU A 79 22.917 -25.936 11.244 1.00 25.22 O ATOM 1276 OE2 GLU A 79 21.641 -24.186 10.872 1.00 73.13 O1- ATOM 0 H GLU A 79 20.616 -29.537 13.048 1.00 34.12 H new ATOM 0 HA GLU A 79 21.379 -26.850 13.379 1.00 41.22 H new ATOM 0 HB2 GLU A 79 21.682 -28.103 11.296 1.00 40.51 H new ATOM 0 HB3 GLU A 79 19.950 -28.315 11.127 1.00 40.51 H new ATOM 0 HG2 GLU A 79 20.584 -26.563 9.635 1.00 71.40 H new ATOM 0 HG3 GLU A 79 19.714 -25.813 10.958 1.00 71.40 H new ATOM 1283 N ALA A 80 18.124 -27.370 13.080 1.00 23.40 N ATOM 1284 CA ALA A 80 16.817 -26.771 13.317 1.00 41.12 C ATOM 1285 C ALA A 80 16.692 -26.279 14.754 1.00 13.05 C ATOM 1286 O ALA A 80 15.977 -25.316 15.030 1.00 13.31 O ATOM 1287 CB ALA A 80 15.713 -27.769 13.001 1.00 63.34 C ATOM 0 H ALA A 80 18.092 -28.335 12.751 1.00 23.40 H new ATOM 0 HA ALA A 80 16.714 -25.911 12.655 1.00 41.12 H new ATOM 0 HB1 ALA A 80 14.742 -27.308 13.183 1.00 63.34 H new ATOM 0 HB2 ALA A 80 15.782 -28.069 11.955 1.00 63.34 H new ATOM 0 HB3 ALA A 80 15.822 -28.647 13.638 1.00 63.34 H new ATOM 1293 N GLN A 81 17.391 -26.947 15.667 1.00 53.33 N ATOM 1294 CA GLN A 81 17.356 -26.577 17.077 1.00 55.10 C ATOM 1295 C GLN A 81 17.957 -25.192 17.292 1.00 65.05 C ATOM 1296 O GLN A 81 17.603 -24.490 18.237 1.00 13.14 O ATOM 1297 CB GLN A 81 18.111 -27.610 17.916 1.00 55.14 C ATOM 1298 CG GLN A 81 17.585 -29.027 17.753 1.00 15.04 C ATOM 1299 CD GLN A 81 16.784 -29.493 18.952 1.00 74.24 C ATOM 1300 OE1 GLN A 81 17.048 -29.091 20.086 1.00 60.45 O ATOM 1301 NE2 GLN A 81 15.795 -30.347 18.708 1.00 12.11 N ATOM 0 H GLN A 81 17.988 -27.747 15.455 1.00 53.33 H new ATOM 0 HA GLN A 81 16.314 -26.553 17.395 1.00 55.10 H new ATOM 0 HB2 GLN A 81 19.166 -27.589 17.641 1.00 55.14 H new ATOM 0 HB3 GLN A 81 18.050 -27.327 18.967 1.00 55.14 H new ATOM 0 HG2 GLN A 81 16.960 -29.078 16.861 1.00 15.04 H new ATOM 0 HG3 GLN A 81 18.423 -29.706 17.595 1.00 15.04 H new ATOM 0 HE21 GLN A 81 15.611 -30.654 17.753 1.00 12.11 H new ATOM 0 HE22 GLN A 81 15.221 -30.695 19.476 1.00 12.11 H new ATOM 1310 N GLY A 82 18.872 -24.806 16.407 1.00 10.33 N ATOM 1311 CA GLY A 82 19.509 -23.507 16.518 1.00 0.41 C ATOM 1312 C GLY A 82 18.506 -22.371 16.558 1.00 3.45 C ATOM 1313 O GLY A 82 18.735 -21.356 17.218 1.00 20.11 O ATOM 0 H GLY A 82 19.183 -25.370 15.616 1.00 10.33 H new ATOM 0 HA2 GLY A 82 20.119 -23.481 17.421 1.00 0.41 H new ATOM 0 HA3 GLY A 82 20.183 -23.363 15.674 1.00 0.41 H new ATOM 1317 N ILE A 83 17.394 -22.539 15.852 1.00 31.40 N ATOM 1318 CA ILE A 83 16.354 -21.520 15.810 1.00 1.12 C ATOM 1319 C ILE A 83 15.097 -21.986 16.537 1.00 73.35 C ATOM 1320 O ILE A 83 14.301 -21.174 17.007 1.00 13.12 O ATOM 1321 CB ILE A 83 15.988 -21.149 14.361 1.00 1.41 C ATOM 1322 CG1 ILE A 83 15.372 -22.351 13.642 1.00 4.34 C ATOM 1323 CG2 ILE A 83 17.217 -20.651 13.615 1.00 22.22 C ATOM 1324 CD1 ILE A 83 14.935 -22.051 12.226 1.00 2.43 C ATOM 0 H ILE A 83 17.190 -23.372 15.301 1.00 31.40 H new ATOM 0 HA ILE A 83 16.755 -20.639 16.312 1.00 1.12 H new ATOM 0 HB ILE A 83 15.250 -20.347 14.383 1.00 1.41 H new ATOM 0 HG12 ILE A 83 16.098 -23.164 13.625 1.00 4.34 H new ATOM 0 HG13 ILE A 83 14.512 -22.703 14.212 1.00 4.34 H new ATOM 0 HG21 ILE A 83 16.942 -20.393 12.592 1.00 22.22 H new ATOM 0 HG22 ILE A 83 17.615 -19.769 14.117 1.00 22.22 H new ATOM 0 HG23 ILE A 83 17.976 -21.434 13.600 1.00 22.22 H new ATOM 0 HD11 ILE A 83 14.508 -22.949 11.779 1.00 2.43 H new ATOM 0 HD12 ILE A 83 14.186 -21.259 12.236 1.00 2.43 H new ATOM 0 HD13 ILE A 83 15.796 -21.728 11.640 1.00 2.43 H new ATOM 1336 N HIS A 84 14.925 -23.302 16.625 1.00 63.03 N ATOM 1337 CA HIS A 84 13.766 -23.878 17.297 1.00 54.51 C ATOM 1338 C HIS A 84 14.056 -25.304 17.755 1.00 12.33 C ATOM 1339 O HIS A 84 13.940 -26.263 16.993 1.00 53.42 O ATOM 1340 CB HIS A 84 12.553 -23.866 16.366 1.00 32.52 C ATOM 1341 CG HIS A 84 11.284 -23.445 17.040 1.00 13.05 C ATOM 1342 ND1 HIS A 84 10.948 -23.832 18.322 1.00 42.33 N ATOM 1343 CD2 HIS A 84 10.267 -22.665 16.607 1.00 40.41 C ATOM 1344 CE1 HIS A 84 9.778 -23.309 18.644 1.00 4.32 C ATOM 1345 NE2 HIS A 84 9.344 -22.596 17.621 1.00 13.00 N ATOM 0 H HIS A 84 15.573 -23.989 16.239 1.00 63.03 H new ATOM 0 HA HIS A 84 13.547 -23.271 18.175 1.00 54.51 H new ATOM 0 HB2 HIS A 84 12.752 -23.193 15.532 1.00 32.52 H new ATOM 0 HB3 HIS A 84 12.418 -24.863 15.946 1.00 32.52 H new ATOM 0 HD2 HIS A 84 10.195 -22.185 15.642 1.00 40.41 H new ATOM 0 HE1 HIS A 84 9.264 -23.442 19.584 1.00 4.32 H new ATOM 0 HE2 HIS A 84 8.466 -22.078 17.589 1.00 13.00 H new ATOM 1353 N PRO A 85 14.444 -25.448 19.032 1.00 51.33 N ATOM 1354 CA PRO A 85 14.759 -26.752 19.620 1.00 21.45 C ATOM 1355 C PRO A 85 13.520 -27.624 19.795 1.00 1.12 C ATOM 1356 O PRO A 85 13.623 -28.799 20.148 1.00 55.23 O ATOM 1357 CB PRO A 85 15.357 -26.393 20.983 1.00 54.51 C ATOM 1358 CG PRO A 85 14.774 -25.060 21.311 1.00 23.33 C ATOM 1359 CD PRO A 85 14.604 -24.348 19.998 1.00 35.21 C ATOM 0 HA PRO A 85 15.428 -27.333 18.986 1.00 21.45 H new ATOM 0 HB2 PRO A 85 15.098 -27.136 21.738 1.00 54.51 H new ATOM 0 HB3 PRO A 85 16.445 -26.350 20.939 1.00 54.51 H new ATOM 0 HG2 PRO A 85 13.818 -25.168 21.823 1.00 23.33 H new ATOM 0 HG3 PRO A 85 15.431 -24.500 21.976 1.00 23.33 H new ATOM 0 HD2 PRO A 85 13.734 -23.691 20.007 1.00 35.21 H new ATOM 0 HD3 PRO A 85 15.469 -23.728 19.762 1.00 35.21 H new ATOM 1367 N GLU A 86 12.352 -27.041 19.546 1.00 11.24 N ATOM 1368 CA GLU A 86 11.094 -27.767 19.677 1.00 2.30 C ATOM 1369 C GLU A 86 10.911 -28.751 18.526 1.00 54.33 C ATOM 1370 O GLU A 86 10.125 -29.694 18.621 1.00 72.01 O ATOM 1371 CB GLU A 86 9.918 -26.788 19.718 1.00 32.11 C ATOM 1372 CG GLU A 86 9.843 -25.980 21.002 1.00 10.02 C ATOM 1373 CD GLU A 86 9.533 -26.837 22.214 1.00 32.22 C ATOM 1374 OE1 GLU A 86 8.541 -27.595 22.168 1.00 51.41 O1- ATOM 1375 OE2 GLU A 86 10.282 -26.749 23.210 1.00 32.50 O ATOM 0 H GLU A 86 12.250 -26.069 19.253 1.00 11.24 H new ATOM 0 HA GLU A 86 11.123 -28.329 20.610 1.00 2.30 H new ATOM 0 HB2 GLU A 86 9.996 -26.104 18.873 1.00 32.11 H new ATOM 0 HB3 GLU A 86 8.989 -27.344 19.594 1.00 32.11 H new ATOM 0 HG2 GLU A 86 10.791 -25.465 21.159 1.00 10.02 H new ATOM 0 HG3 GLU A 86 9.076 -25.212 20.899 1.00 10.02 H new ATOM 1382 N TYR A 87 11.641 -28.524 17.439 1.00 13.33 N ATOM 1383 CA TYR A 87 11.557 -29.388 16.269 1.00 62.40 C ATOM 1384 C TYR A 87 11.821 -30.843 16.645 1.00 30.01 C ATOM 1385 O TYR A 87 12.149 -31.149 17.791 1.00 64.21 O ATOM 1386 CB TYR A 87 12.558 -28.937 15.203 1.00 41.24 C ATOM 1387 CG TYR A 87 12.099 -27.731 14.415 1.00 51.15 C ATOM 1388 CD1 TYR A 87 10.811 -27.666 13.894 1.00 4.14 C ATOM 1389 CD2 TYR A 87 12.951 -26.658 14.188 1.00 24.43 C ATOM 1390 CE1 TYR A 87 10.388 -26.567 13.172 1.00 10.23 C ATOM 1391 CE2 TYR A 87 12.536 -25.555 13.469 1.00 41.22 C ATOM 1392 CZ TYR A 87 11.254 -25.513 12.963 1.00 73.33 C ATOM 1393 OH TYR A 87 10.836 -24.416 12.244 1.00 33.41 O ATOM 0 H TYR A 87 12.297 -27.749 17.345 1.00 13.33 H new ATOM 0 HA TYR A 87 10.547 -29.313 15.866 1.00 62.40 H new ATOM 0 HB2 TYR A 87 13.509 -28.707 15.683 1.00 41.24 H new ATOM 0 HB3 TYR A 87 12.740 -29.763 14.515 1.00 41.24 H new ATOM 0 HD1 TYR A 87 10.130 -28.489 14.057 1.00 4.14 H new ATOM 0 HD2 TYR A 87 13.956 -26.687 14.581 1.00 24.43 H new ATOM 0 HE1 TYR A 87 9.385 -26.533 12.773 1.00 10.23 H new ATOM 0 HE2 TYR A 87 13.212 -24.729 13.304 1.00 41.22 H new ATOM 0 HH TYR A 87 11.363 -23.633 12.506 1.00 33.41 H new ATOM 1403 N MET A 88 11.676 -31.735 15.671 1.00 30.33 N ATOM 1404 CA MET A 88 11.901 -33.159 15.898 1.00 15.53 C ATOM 1405 C MET A 88 12.033 -33.907 14.576 1.00 10.42 C ATOM 1406 O MET A 88 11.435 -33.521 13.570 1.00 24.25 O ATOM 1407 CB MET A 88 10.755 -33.752 16.721 1.00 14.22 C ATOM 1408 CG MET A 88 11.096 -35.086 17.365 1.00 4.24 C ATOM 1409 SD MET A 88 10.257 -35.331 18.941 1.00 21.05 S ATOM 1410 CE MET A 88 10.959 -33.997 19.910 1.00 34.51 C ATOM 0 H MET A 88 11.404 -31.498 14.717 1.00 30.33 H new ATOM 0 HA MET A 88 12.833 -33.271 16.452 1.00 15.53 H new ATOM 0 HB2 MET A 88 10.473 -33.043 17.500 1.00 14.22 H new ATOM 0 HB3 MET A 88 9.885 -33.881 16.077 1.00 14.22 H new ATOM 0 HG2 MET A 88 10.825 -35.893 16.684 1.00 4.24 H new ATOM 0 HG3 MET A 88 12.173 -35.146 17.518 1.00 4.24 H new ATOM 0 HE1 MET A 88 11.008 -34.295 20.957 1.00 34.51 H new ATOM 0 HE2 MET A 88 11.963 -33.774 19.549 1.00 34.51 H new ATOM 0 HE3 MET A 88 10.334 -33.109 19.814 1.00 34.51 H new ATOM 1420 N VAL A 89 12.820 -34.978 14.583 1.00 2.14 N ATOM 1421 CA VAL A 89 13.030 -35.780 13.383 1.00 32.25 C ATOM 1422 C VAL A 89 11.702 -36.186 12.755 1.00 31.51 C ATOM 1423 O VAL A 89 10.877 -36.841 13.390 1.00 22.02 O ATOM 1424 CB VAL A 89 13.848 -37.048 13.694 1.00 43.25 C ATOM 1425 CG1 VAL A 89 14.047 -37.876 12.433 1.00 5.33 C ATOM 1426 CG2 VAL A 89 15.187 -36.679 14.315 1.00 64.13 C ATOM 0 H VAL A 89 13.323 -35.311 15.406 1.00 2.14 H new ATOM 0 HA VAL A 89 13.586 -35.160 12.680 1.00 32.25 H new ATOM 0 HB VAL A 89 13.293 -37.651 14.413 1.00 43.25 H new ATOM 0 HG11 VAL A 89 14.627 -38.768 12.671 1.00 5.33 H new ATOM 0 HG12 VAL A 89 13.076 -38.170 12.034 1.00 5.33 H new ATOM 0 HG13 VAL A 89 14.581 -37.284 11.689 1.00 5.33 H new ATOM 0 HG21 VAL A 89 15.752 -37.587 14.528 1.00 64.13 H new ATOM 0 HG22 VAL A 89 15.751 -36.056 13.621 1.00 64.13 H new ATOM 0 HG23 VAL A 89 15.019 -36.130 15.242 1.00 64.13 H new ATOM 1436 N GLY A 90 11.503 -35.793 11.501 1.00 61.31 N ATOM 1437 CA GLY A 90 10.272 -36.126 10.805 1.00 5.34 C ATOM 1438 C GLY A 90 9.406 -34.909 10.547 1.00 73.20 C ATOM 1439 O GLY A 90 8.500 -34.951 9.715 1.00 73.05 O ATOM 0 H GLY A 90 12.171 -35.250 10.954 1.00 61.31 H new ATOM 0 HA2 GLY A 90 10.513 -36.605 9.856 1.00 5.34 H new ATOM 0 HA3 GLY A 90 9.709 -36.850 11.394 1.00 5.34 H new ATOM 1443 N ASP A 91 9.684 -33.825 11.261 1.00 14.12 N ATOM 1444 CA ASP A 91 8.921 -32.591 11.104 1.00 22.15 C ATOM 1445 C ASP A 91 9.452 -31.769 9.934 1.00 32.31 C ATOM 1446 O ASP A 91 10.296 -32.234 9.167 1.00 53.31 O ATOM 1447 CB ASP A 91 8.978 -31.765 12.390 1.00 12.13 C ATOM 1448 CG ASP A 91 7.657 -31.089 12.703 1.00 44.21 C ATOM 1449 OD1 ASP A 91 6.771 -31.756 13.275 1.00 10.52 O1- ATOM 1450 OD2 ASP A 91 7.511 -29.893 12.374 1.00 3.14 O ATOM 0 H ASP A 91 10.431 -33.774 11.954 1.00 14.12 H new ATOM 0 HA ASP A 91 7.884 -32.857 10.897 1.00 22.15 H new ATOM 0 HB2 ASP A 91 9.258 -32.412 13.222 1.00 12.13 H new ATOM 0 HB3 ASP A 91 9.757 -31.008 12.298 1.00 12.13 H new ATOM 1455 N VAL A 92 8.951 -30.545 9.801 1.00 31.51 N ATOM 1456 CA VAL A 92 9.374 -29.659 8.725 1.00 42.33 C ATOM 1457 C VAL A 92 9.639 -28.249 9.244 1.00 75.52 C ATOM 1458 O VAL A 92 8.890 -27.732 10.073 1.00 53.31 O ATOM 1459 CB VAL A 92 8.318 -29.591 7.605 1.00 41.12 C ATOM 1460 CG1 VAL A 92 8.359 -30.852 6.756 1.00 55.14 C ATOM 1461 CG2 VAL A 92 6.931 -29.379 8.194 1.00 61.45 C ATOM 0 H VAL A 92 8.251 -30.145 10.426 1.00 31.51 H new ATOM 0 HA VAL A 92 10.297 -30.073 8.320 1.00 42.33 H new ATOM 0 HB VAL A 92 8.548 -28.742 6.962 1.00 41.12 H new ATOM 0 HG11 VAL A 92 7.606 -30.786 5.970 1.00 55.14 H new ATOM 0 HG12 VAL A 92 9.346 -30.955 6.305 1.00 55.14 H new ATOM 0 HG13 VAL A 92 8.154 -31.720 7.383 1.00 55.14 H new ATOM 0 HG21 VAL A 92 6.197 -29.333 7.389 1.00 61.45 H new ATOM 0 HG22 VAL A 92 6.688 -30.207 8.860 1.00 61.45 H new ATOM 0 HG23 VAL A 92 6.913 -28.445 8.755 1.00 61.45 H new ATOM 1471 N VAL A 93 10.709 -27.634 8.752 1.00 53.22 N ATOM 1472 CA VAL A 93 11.072 -26.284 9.165 1.00 1.40 C ATOM 1473 C VAL A 93 11.010 -25.315 7.989 1.00 13.54 C ATOM 1474 O VAL A 93 11.404 -25.651 6.874 1.00 42.32 O ATOM 1475 CB VAL A 93 12.486 -26.244 9.774 1.00 33.33 C ATOM 1476 CG1 VAL A 93 13.502 -26.826 8.804 1.00 2.00 C ATOM 1477 CG2 VAL A 93 12.859 -24.822 10.162 1.00 1.50 C ATOM 0 H VAL A 93 11.340 -28.049 8.067 1.00 53.22 H new ATOM 0 HA VAL A 93 10.350 -25.980 9.922 1.00 1.40 H new ATOM 0 HB VAL A 93 12.491 -26.855 10.677 1.00 33.33 H new ATOM 0 HG11 VAL A 93 14.495 -26.789 9.252 1.00 2.00 H new ATOM 0 HG12 VAL A 93 13.242 -27.861 8.582 1.00 2.00 H new ATOM 0 HG13 VAL A 93 13.498 -26.246 7.881 1.00 2.00 H new ATOM 0 HG21 VAL A 93 13.861 -24.813 10.591 1.00 1.50 H new ATOM 0 HG22 VAL A 93 12.837 -24.186 9.277 1.00 1.50 H new ATOM 0 HG23 VAL A 93 12.147 -24.447 10.897 1.00 1.50 H new ATOM 1487 N GLU A 94 10.512 -24.109 8.250 1.00 63.33 N ATOM 1488 CA GLU A 94 10.399 -23.090 7.212 1.00 13.04 C ATOM 1489 C GLU A 94 11.320 -21.909 7.506 1.00 14.14 C ATOM 1490 O GLU A 94 11.315 -21.366 8.611 1.00 22.33 O ATOM 1491 CB GLU A 94 8.952 -22.607 7.098 1.00 72.23 C ATOM 1492 CG GLU A 94 8.129 -23.384 6.083 1.00 51.42 C ATOM 1493 CD GLU A 94 6.643 -23.346 6.385 1.00 45.35 C ATOM 1494 OE1 GLU A 94 6.076 -22.234 6.431 1.00 3.23 O ATOM 1495 OE2 GLU A 94 6.048 -24.427 6.573 1.00 11.44 O1- ATOM 0 H GLU A 94 10.181 -23.815 9.169 1.00 63.33 H new ATOM 0 HA GLU A 94 10.702 -23.537 6.265 1.00 13.04 H new ATOM 0 HB2 GLU A 94 8.474 -22.683 8.075 1.00 72.23 H new ATOM 0 HB3 GLU A 94 8.950 -21.552 6.823 1.00 72.23 H new ATOM 0 HG2 GLU A 94 8.304 -22.974 5.088 1.00 51.42 H new ATOM 0 HG3 GLU A 94 8.466 -24.420 6.065 1.00 51.42 H new ATOM 1502 N ILE A 95 12.107 -21.519 6.511 1.00 43.41 N ATOM 1503 CA ILE A 95 13.032 -20.402 6.662 1.00 24.11 C ATOM 1504 C ILE A 95 12.893 -19.413 5.510 1.00 51.42 C ATOM 1505 O ILE A 95 12.734 -19.809 4.356 1.00 43.44 O ATOM 1506 CB ILE A 95 14.492 -20.887 6.734 1.00 24.30 C ATOM 1507 CG1 ILE A 95 14.621 -22.041 7.730 1.00 21.22 C ATOM 1508 CG2 ILE A 95 15.412 -19.740 7.122 1.00 24.14 C ATOM 1509 CD1 ILE A 95 14.548 -23.408 7.085 1.00 4.40 C ATOM 0 H ILE A 95 12.124 -21.959 5.591 1.00 43.41 H new ATOM 0 HA ILE A 95 12.776 -19.904 7.597 1.00 24.11 H new ATOM 0 HB ILE A 95 14.788 -21.248 5.749 1.00 24.30 H new ATOM 0 HG12 ILE A 95 15.569 -21.948 8.260 1.00 21.22 H new ATOM 0 HG13 ILE A 95 13.830 -21.957 8.475 1.00 21.22 H new ATOM 0 HG21 ILE A 95 16.440 -20.098 7.169 1.00 24.14 H new ATOM 0 HG22 ILE A 95 15.338 -18.946 6.378 1.00 24.14 H new ATOM 0 HG23 ILE A 95 15.118 -19.352 8.097 1.00 24.14 H new ATOM 0 HD11 ILE A 95 14.647 -24.177 7.851 1.00 4.40 H new ATOM 0 HD12 ILE A 95 13.589 -23.521 6.579 1.00 4.40 H new ATOM 0 HD13 ILE A 95 15.355 -23.512 6.360 1.00 4.40 H new ATOM 1521 N GLU A 96 12.956 -18.125 5.833 1.00 15.41 N ATOM 1522 CA GLU A 96 12.837 -17.079 4.824 1.00 4.20 C ATOM 1523 C GLU A 96 13.829 -17.306 3.686 1.00 3.25 C ATOM 1524 O GLU A 96 15.041 -17.337 3.901 1.00 21.32 O ATOM 1525 CB GLU A 96 13.072 -15.704 5.453 1.00 33.11 C ATOM 1526 CG GLU A 96 14.289 -15.649 6.360 1.00 44.11 C ATOM 1527 CD GLU A 96 14.611 -14.240 6.820 1.00 24.12 C ATOM 1528 OE1 GLU A 96 13.718 -13.370 6.735 1.00 23.44 O1- ATOM 1529 OE2 GLU A 96 15.754 -14.007 7.265 1.00 64.34 O ATOM 0 H GLU A 96 13.089 -17.781 6.784 1.00 15.41 H new ATOM 0 HA GLU A 96 11.827 -17.116 4.416 1.00 4.20 H new ATOM 0 HB2 GLU A 96 13.187 -14.966 4.659 1.00 33.11 H new ATOM 0 HB3 GLU A 96 12.189 -15.420 6.026 1.00 33.11 H new ATOM 0 HG2 GLU A 96 14.117 -16.281 7.231 1.00 44.11 H new ATOM 0 HG3 GLU A 96 15.150 -16.060 5.832 1.00 44.11 H new ATOM 1536 N VAL A 97 13.305 -17.463 2.475 1.00 52.41 N ATOM 1537 CA VAL A 97 14.143 -17.687 1.303 1.00 41.24 C ATOM 1538 C VAL A 97 13.723 -16.784 0.148 1.00 64.02 C ATOM 1539 O VAL A 97 14.174 -16.957 -0.985 1.00 40.42 O ATOM 1540 CB VAL A 97 14.083 -19.155 0.841 1.00 14.31 C ATOM 1541 CG1 VAL A 97 12.749 -19.449 0.170 1.00 41.13 C ATOM 1542 CG2 VAL A 97 15.241 -19.467 -0.095 1.00 14.33 C ATOM 0 H VAL A 97 12.304 -17.439 2.280 1.00 52.41 H new ATOM 0 HA VAL A 97 15.166 -17.448 1.595 1.00 41.24 H new ATOM 0 HB VAL A 97 14.171 -19.798 1.717 1.00 14.31 H new ATOM 0 HG11 VAL A 97 12.724 -20.491 -0.150 1.00 41.13 H new ATOM 0 HG12 VAL A 97 11.939 -19.267 0.876 1.00 41.13 H new ATOM 0 HG13 VAL A 97 12.627 -18.800 -0.697 1.00 41.13 H new ATOM 0 HG21 VAL A 97 15.183 -20.508 -0.411 1.00 14.33 H new ATOM 0 HG22 VAL A 97 15.187 -18.818 -0.969 1.00 14.33 H new ATOM 0 HG23 VAL A 97 16.184 -19.298 0.424 1.00 14.33 H new ATOM 1552 N THR A 98 12.857 -15.820 0.441 1.00 74.11 N ATOM 1553 CA THR A 98 12.375 -14.890 -0.573 1.00 21.42 C ATOM 1554 C THR A 98 13.417 -13.820 -0.877 1.00 23.55 C ATOM 1555 O THR A 98 14.096 -13.309 0.015 1.00 72.05 O ATOM 1556 CB THR A 98 11.067 -14.206 -0.131 1.00 64.13 C ATOM 1557 OG1 THR A 98 10.548 -13.406 -1.200 1.00 65.23 O ATOM 1558 CG2 THR A 98 11.299 -13.335 1.094 1.00 33.24 C ATOM 0 H THR A 98 12.474 -15.662 1.373 1.00 74.11 H new ATOM 0 HA THR A 98 12.185 -15.474 -1.473 1.00 21.42 H new ATOM 0 HB THR A 98 10.346 -14.982 0.126 1.00 64.13 H new ATOM 0 HG1 THR A 98 9.942 -13.946 -1.748 1.00 65.23 H new ATOM 0 HG21 THR A 98 10.362 -12.863 1.387 1.00 33.24 H new ATOM 0 HG22 THR A 98 11.667 -13.951 1.914 1.00 33.24 H new ATOM 0 HG23 THR A 98 12.035 -12.566 0.860 1.00 33.24 H new ATOM 1566 N PRO A 99 13.549 -13.471 -2.165 1.00 61.42 N ATOM 1567 CA PRO A 99 14.507 -12.456 -2.617 1.00 22.35 C ATOM 1568 C PRO A 99 14.114 -11.051 -2.174 1.00 21.13 C ATOM 1569 O PRO A 99 12.957 -10.795 -1.839 1.00 4.33 O ATOM 1570 CB PRO A 99 14.454 -12.571 -4.142 1.00 33.45 C ATOM 1571 CG PRO A 99 13.103 -13.129 -4.432 1.00 23.31 C ATOM 1572 CD PRO A 99 12.774 -14.038 -3.280 1.00 75.43 C ATOM 0 HA PRO A 99 15.500 -12.618 -2.199 1.00 22.35 H new ATOM 0 HB2 PRO A 99 14.592 -11.600 -4.617 1.00 33.45 H new ATOM 0 HB3 PRO A 99 15.241 -13.224 -4.518 1.00 33.45 H new ATOM 0 HG2 PRO A 99 12.364 -12.333 -4.525 1.00 23.31 H new ATOM 0 HG3 PRO A 99 13.101 -13.677 -5.374 1.00 23.31 H new ATOM 0 HD2 PRO A 99 11.705 -14.043 -3.065 1.00 75.43 H new ATOM 0 HD3 PRO A 99 13.062 -15.069 -3.486 1.00 75.43 H new ATOM 1580 N LYS A 100 15.084 -10.143 -2.176 1.00 1.34 N ATOM 1581 CA LYS A 100 14.841 -8.762 -1.776 1.00 31.23 C ATOM 1582 C LYS A 100 14.105 -8.000 -2.874 1.00 11.53 C ATOM 1583 O LYS A 100 13.724 -6.844 -2.691 1.00 43.02 O ATOM 1584 CB LYS A 100 16.163 -8.062 -1.452 1.00 14.02 C ATOM 1585 CG LYS A 100 15.987 -6.686 -0.835 1.00 13.24 C ATOM 1586 CD LYS A 100 17.280 -6.183 -0.216 1.00 51.30 C ATOM 1587 CE LYS A 100 17.300 -4.665 -0.122 1.00 60.13 C ATOM 1588 NZ LYS A 100 16.559 -4.172 1.072 1.00 62.04 N1+ ATOM 0 H LYS A 100 16.047 -10.339 -2.450 1.00 1.34 H new ATOM 0 HA LYS A 100 14.216 -8.773 -0.883 1.00 31.23 H new ATOM 0 HB2 LYS A 100 16.737 -8.687 -0.768 1.00 14.02 H new ATOM 0 HB3 LYS A 100 16.749 -7.969 -2.366 1.00 14.02 H new ATOM 0 HG2 LYS A 100 15.651 -5.984 -1.598 1.00 13.24 H new ATOM 0 HG3 LYS A 100 15.209 -6.725 -0.073 1.00 13.24 H new ATOM 0 HD2 LYS A 100 17.399 -6.612 0.779 1.00 51.30 H new ATOM 0 HD3 LYS A 100 18.126 -6.523 -0.813 1.00 51.30 H new ATOM 0 HE2 LYS A 100 18.332 -4.318 -0.077 1.00 60.13 H new ATOM 0 HE3 LYS A 100 16.859 -4.240 -1.024 1.00 60.13 H new ATOM 0 HZ1 LYS A 100 16.597 -3.133 1.099 1.00 62.04 H new ATOM 0 HZ2 LYS A 100 15.568 -4.481 1.017 1.00 62.04 H new ATOM 0 HZ3 LYS A 100 16.995 -4.557 1.934 1.00 62.04 H new ATOM 1602 N ASP A 101 13.908 -8.655 -4.013 1.00 23.32 N ATOM 1603 CA ASP A 101 13.216 -8.040 -5.139 1.00 41.13 C ATOM 1604 C ASP A 101 11.827 -8.645 -5.319 1.00 43.12 C ATOM 1605 O ASP A 101 11.129 -8.344 -6.288 1.00 15.43 O ATOM 1606 CB ASP A 101 14.031 -8.212 -6.421 1.00 64.01 C ATOM 1607 CG ASP A 101 14.781 -9.529 -6.459 1.00 62.02 C ATOM 1608 OD1 ASP A 101 14.194 -10.534 -6.912 1.00 12.30 O ATOM 1609 OD2 ASP A 101 15.955 -9.555 -6.036 1.00 24.30 O1- ATOM 0 H ASP A 101 14.218 -9.612 -4.181 1.00 23.32 H new ATOM 0 HA ASP A 101 13.105 -6.976 -4.929 1.00 41.13 H new ATOM 0 HB2 ASP A 101 13.365 -8.152 -7.282 1.00 64.01 H new ATOM 0 HB3 ASP A 101 14.742 -7.390 -6.509 1.00 64.01 H new ATOM 1614 N PHE A 102 11.434 -9.500 -4.382 1.00 61.52 N ATOM 1615 CA PHE A 102 10.129 -10.150 -4.438 1.00 41.25 C ATOM 1616 C PHE A 102 9.018 -9.171 -4.072 1.00 61.03 C ATOM 1617 O PHE A 102 7.855 -9.378 -4.415 1.00 73.03 O ATOM 1618 CB PHE A 102 10.094 -11.355 -3.496 1.00 42.23 C ATOM 1619 CG PHE A 102 9.524 -12.593 -4.127 1.00 43.43 C ATOM 1620 CD1 PHE A 102 10.034 -13.076 -5.322 1.00 34.02 C ATOM 1621 CD2 PHE A 102 8.478 -13.274 -3.525 1.00 61.34 C ATOM 1622 CE1 PHE A 102 9.510 -14.215 -5.904 1.00 50.23 C ATOM 1623 CE2 PHE A 102 7.951 -14.414 -4.103 1.00 54.01 C ATOM 1624 CZ PHE A 102 8.469 -14.885 -5.294 1.00 15.23 C ATOM 0 H PHE A 102 12.000 -9.760 -3.574 1.00 61.52 H new ATOM 0 HA PHE A 102 9.965 -10.493 -5.460 1.00 41.25 H new ATOM 0 HB2 PHE A 102 11.106 -11.566 -3.151 1.00 42.23 H new ATOM 0 HB3 PHE A 102 9.504 -11.101 -2.616 1.00 42.23 H new ATOM 0 HD1 PHE A 102 10.849 -12.557 -5.803 1.00 34.02 H new ATOM 0 HD2 PHE A 102 8.070 -12.910 -2.594 1.00 61.34 H new ATOM 0 HE1 PHE A 102 9.915 -14.581 -6.836 1.00 50.23 H new ATOM 0 HE2 PHE A 102 7.136 -14.936 -3.624 1.00 54.01 H new ATOM 0 HZ PHE A 102 8.060 -15.776 -5.747 1.00 15.23 H new ATOM 1634 N GLY A 103 9.386 -8.102 -3.371 1.00 33.20 N ATOM 1635 CA GLY A 103 8.410 -7.107 -2.969 1.00 14.33 C ATOM 1636 C GLY A 103 7.551 -6.636 -4.125 1.00 14.11 C ATOM 1637 O GLY A 103 6.323 -6.648 -4.040 1.00 52.21 O ATOM 0 H GLY A 103 10.343 -7.908 -3.075 1.00 33.20 H new ATOM 0 HA2 GLY A 103 7.770 -7.524 -2.191 1.00 14.33 H new ATOM 0 HA3 GLY A 103 8.926 -6.252 -2.532 1.00 14.33 H new ATOM 1641 N ARG A 104 8.198 -6.219 -5.209 1.00 11.41 N ATOM 1642 CA ARG A 104 7.484 -5.738 -6.386 1.00 21.11 C ATOM 1643 C ARG A 104 6.954 -6.906 -7.214 1.00 54.21 C ATOM 1644 O ARG A 104 5.848 -6.845 -7.753 1.00 35.02 O ATOM 1645 CB ARG A 104 8.403 -4.867 -7.245 1.00 50.22 C ATOM 1646 CG ARG A 104 7.668 -4.077 -8.315 1.00 72.45 C ATOM 1647 CD ARG A 104 8.588 -3.082 -9.004 1.00 22.14 C ATOM 1648 NE ARG A 104 9.824 -3.708 -9.465 1.00 50.51 N ATOM 1649 CZ ARG A 104 10.930 -3.028 -9.751 1.00 32.33 C ATOM 1650 NH1 ARG A 104 10.953 -1.709 -9.621 1.00 65.42 N1+ ATOM 1651 NH2 ARG A 104 12.015 -3.669 -10.164 1.00 63.54 N ATOM 0 H ARG A 104 9.214 -6.205 -5.296 1.00 11.41 H new ATOM 0 HA ARG A 104 6.638 -5.140 -6.048 1.00 21.11 H new ATOM 0 HB2 ARG A 104 8.941 -4.174 -6.599 1.00 50.22 H new ATOM 0 HB3 ARG A 104 9.149 -5.502 -7.722 1.00 50.22 H new ATOM 0 HG2 ARG A 104 7.253 -4.762 -9.054 1.00 72.45 H new ATOM 0 HG3 ARG A 104 6.829 -3.547 -7.865 1.00 72.45 H new ATOM 0 HD2 ARG A 104 8.069 -2.636 -9.853 1.00 22.14 H new ATOM 0 HD3 ARG A 104 8.827 -2.272 -8.315 1.00 22.14 H new ATOM 0 HE ARG A 104 9.840 -4.722 -9.573 1.00 50.51 H new ATOM 0 HH11 ARG A 104 10.121 -1.214 -9.301 1.00 65.42 H new ATOM 0 HH12 ARG A 104 11.803 -1.190 -9.841 1.00 65.42 H new ATOM 0 HH21 ARG A 104 12.001 -4.684 -10.262 1.00 63.54 H new ATOM 0 HH22 ARG A 104 12.863 -3.147 -10.383 1.00 63.54 H new ATOM 1665 N ILE A 105 7.749 -7.966 -7.310 1.00 74.15 N ATOM 1666 CA ILE A 105 7.358 -9.147 -8.071 1.00 51.42 C ATOM 1667 C ILE A 105 6.045 -9.724 -7.554 1.00 31.22 C ATOM 1668 O ILE A 105 5.268 -10.301 -8.313 1.00 32.23 O ATOM 1669 CB ILE A 105 8.444 -10.238 -8.014 1.00 41.53 C ATOM 1670 CG1 ILE A 105 9.764 -9.703 -8.575 1.00 71.02 C ATOM 1671 CG2 ILE A 105 7.995 -11.471 -8.784 1.00 4.21 C ATOM 1672 CD1 ILE A 105 10.966 -10.533 -8.182 1.00 51.01 C ATOM 0 H ILE A 105 8.667 -8.032 -6.871 1.00 74.15 H new ATOM 0 HA ILE A 105 7.229 -8.828 -9.105 1.00 51.42 H new ATOM 0 HB ILE A 105 8.602 -10.521 -6.973 1.00 41.53 H new ATOM 0 HG12 ILE A 105 9.699 -9.664 -9.662 1.00 71.02 H new ATOM 0 HG13 ILE A 105 9.909 -8.680 -8.228 1.00 71.02 H new ATOM 0 HG21 ILE A 105 8.772 -12.234 -8.735 1.00 4.21 H new ATOM 0 HG22 ILE A 105 7.077 -11.860 -8.344 1.00 4.21 H new ATOM 0 HG23 ILE A 105 7.814 -11.204 -9.825 1.00 4.21 H new ATOM 0 HD11 ILE A 105 11.867 -10.096 -8.614 1.00 51.01 H new ATOM 0 HD12 ILE A 105 11.056 -10.551 -7.096 1.00 51.01 H new ATOM 0 HD13 ILE A 105 10.842 -11.551 -8.553 1.00 51.01 H new ATOM 1684 N ALA A 106 5.804 -9.563 -6.257 1.00 52.13 N ATOM 1685 CA ALA A 106 4.583 -10.065 -5.639 1.00 0.32 C ATOM 1686 C ALA A 106 3.347 -9.557 -6.374 1.00 11.13 C ATOM 1687 O ALA A 106 2.469 -10.337 -6.743 1.00 42.22 O ATOM 1688 CB ALA A 106 4.530 -9.662 -4.172 1.00 60.32 C ATOM 0 H ALA A 106 6.438 -9.089 -5.614 1.00 52.13 H new ATOM 0 HA ALA A 106 4.592 -11.153 -5.706 1.00 0.32 H new ATOM 0 HB1 ALA A 106 3.613 -10.043 -3.723 1.00 60.32 H new ATOM 0 HB2 ALA A 106 5.391 -10.079 -3.649 1.00 60.32 H new ATOM 0 HB3 ALA A 106 4.548 -8.575 -4.092 1.00 60.32 H new ATOM 1694 N ALA A 107 3.285 -8.246 -6.580 1.00 54.24 N ATOM 1695 CA ALA A 107 2.156 -7.636 -7.272 1.00 40.42 C ATOM 1696 C ALA A 107 2.202 -7.933 -8.767 1.00 61.51 C ATOM 1697 O ALA A 107 1.189 -8.292 -9.368 1.00 62.23 O ATOM 1698 CB ALA A 107 2.140 -6.133 -7.031 1.00 41.43 C ATOM 0 H ALA A 107 4.002 -7.586 -6.278 1.00 54.24 H new ATOM 0 HA ALA A 107 1.239 -8.068 -6.871 1.00 40.42 H new ATOM 0 HB1 ALA A 107 1.292 -5.690 -7.553 1.00 41.43 H new ATOM 0 HB2 ALA A 107 2.051 -5.937 -5.963 1.00 41.43 H new ATOM 0 HB3 ALA A 107 3.066 -5.695 -7.404 1.00 41.43 H new ATOM 1704 N GLN A 108 3.381 -7.781 -9.360 1.00 63.24 N ATOM 1705 CA GLN A 108 3.557 -8.033 -10.786 1.00 24.31 C ATOM 1706 C GLN A 108 3.101 -9.441 -11.150 1.00 33.31 C ATOM 1707 O GLN A 108 2.587 -9.677 -12.245 1.00 5.33 O ATOM 1708 CB GLN A 108 5.022 -7.840 -11.182 1.00 74.24 C ATOM 1709 CG GLN A 108 5.327 -8.269 -12.608 1.00 10.13 C ATOM 1710 CD GLN A 108 6.749 -7.942 -13.025 1.00 34.33 C ATOM 1711 OE1 GLN A 108 7.709 -8.428 -12.428 1.00 30.11 O ATOM 1712 NE2 GLN A 108 6.888 -7.115 -14.053 1.00 30.20 N ATOM 0 H GLN A 108 4.229 -7.485 -8.876 1.00 63.24 H new ATOM 0 HA GLN A 108 2.942 -7.319 -11.334 1.00 24.31 H new ATOM 0 HB2 GLN A 108 5.287 -6.789 -11.063 1.00 74.24 H new ATOM 0 HB3 GLN A 108 5.653 -8.407 -10.498 1.00 74.24 H new ATOM 0 HG2 GLN A 108 5.162 -9.342 -12.704 1.00 10.13 H new ATOM 0 HG3 GLN A 108 4.631 -7.778 -13.288 1.00 10.13 H new ATOM 0 HE21 GLN A 108 6.063 -6.736 -14.518 1.00 30.20 H new ATOM 0 HE22 GLN A 108 7.820 -6.858 -14.378 1.00 30.20 H new ATOM 1721 N THR A 109 3.291 -10.378 -10.226 1.00 14.35 N ATOM 1722 CA THR A 109 2.900 -11.764 -10.450 1.00 1.22 C ATOM 1723 C THR A 109 1.428 -11.982 -10.115 1.00 5.53 C ATOM 1724 O THR A 109 0.770 -12.840 -10.701 1.00 22.25 O ATOM 1725 CB THR A 109 3.754 -12.731 -9.608 1.00 63.33 C ATOM 1726 OG1 THR A 109 5.144 -12.434 -9.781 1.00 62.10 O ATOM 1727 CG2 THR A 109 3.486 -14.175 -10.006 1.00 43.12 C ATOM 0 H THR A 109 3.714 -10.202 -9.315 1.00 14.35 H new ATOM 0 HA THR A 109 3.064 -11.971 -11.507 1.00 1.22 H new ATOM 0 HB THR A 109 3.483 -12.603 -8.560 1.00 63.33 H new ATOM 0 HG1 THR A 109 5.350 -11.575 -9.356 1.00 62.10 H new ATOM 0 HG21 THR A 109 4.100 -14.840 -9.398 1.00 43.12 H new ATOM 0 HG22 THR A 109 2.433 -14.407 -9.847 1.00 43.12 H new ATOM 0 HG23 THR A 109 3.733 -14.314 -11.059 1.00 43.12 H new ATOM 1735 N ALA A 110 0.919 -11.198 -9.171 1.00 1.34 N ATOM 1736 CA ALA A 110 -0.476 -11.303 -8.760 1.00 65.20 C ATOM 1737 C ALA A 110 -1.405 -10.731 -9.826 1.00 34.15 C ATOM 1738 O ALA A 110 -2.520 -11.218 -10.018 1.00 63.40 O ATOM 1739 CB ALA A 110 -0.691 -10.593 -7.432 1.00 42.13 C ATOM 0 H ALA A 110 1.452 -10.483 -8.676 1.00 1.34 H new ATOM 0 HA ALA A 110 -0.715 -12.359 -8.635 1.00 65.20 H new ATOM 0 HB1 ALA A 110 -1.737 -10.680 -7.138 1.00 42.13 H new ATOM 0 HB2 ALA A 110 -0.061 -11.050 -6.669 1.00 42.13 H new ATOM 0 HB3 ALA A 110 -0.430 -9.540 -7.536 1.00 42.13 H new ATOM 1745 N LYS A 111 -0.942 -9.695 -10.515 1.00 4.43 N ATOM 1746 CA LYS A 111 -1.730 -9.056 -11.561 1.00 13.33 C ATOM 1747 C LYS A 111 -1.860 -9.966 -12.778 1.00 33.32 C ATOM 1748 O LYS A 111 -2.842 -9.894 -13.517 1.00 3.05 O ATOM 1749 CB LYS A 111 -1.091 -7.727 -11.971 1.00 20.42 C ATOM 1750 CG LYS A 111 0.356 -7.860 -12.415 1.00 74.20 C ATOM 1751 CD LYS A 111 0.699 -6.858 -13.505 1.00 34.11 C ATOM 1752 CE LYS A 111 2.185 -6.874 -13.829 1.00 74.34 C ATOM 1753 NZ LYS A 111 2.456 -6.382 -15.208 1.00 63.44 N1+ ATOM 0 H LYS A 111 -0.023 -9.279 -10.367 1.00 4.43 H new ATOM 0 HA LYS A 111 -2.727 -8.865 -11.164 1.00 13.33 H new ATOM 0 HB2 LYS A 111 -1.672 -7.289 -12.782 1.00 20.42 H new ATOM 0 HB3 LYS A 111 -1.143 -7.034 -11.131 1.00 20.42 H new ATOM 0 HG2 LYS A 111 1.015 -7.709 -11.560 1.00 74.20 H new ATOM 0 HG3 LYS A 111 0.534 -8.871 -12.780 1.00 74.20 H new ATOM 0 HD2 LYS A 111 0.127 -7.087 -14.404 1.00 34.11 H new ATOM 0 HD3 LYS A 111 0.406 -5.858 -13.187 1.00 34.11 H new ATOM 0 HE2 LYS A 111 2.720 -6.254 -13.110 1.00 74.34 H new ATOM 0 HE3 LYS A 111 2.569 -7.889 -13.723 1.00 74.34 H new ATOM 0 HZ1 LYS A 111 3.479 -6.408 -15.391 1.00 63.44 H new ATOM 0 HZ2 LYS A 111 1.966 -6.989 -15.896 1.00 63.44 H new ATOM 0 HZ3 LYS A 111 2.112 -5.405 -15.302 1.00 63.44 H new ATOM 1767 N GLN A 112 -0.864 -10.825 -12.978 1.00 52.54 N ATOM 1768 CA GLN A 112 -0.869 -11.750 -14.105 1.00 10.21 C ATOM 1769 C GLN A 112 -1.883 -12.869 -13.887 1.00 0.31 C ATOM 1770 O GLN A 112 -2.473 -13.380 -14.838 1.00 14.34 O ATOM 1771 CB GLN A 112 0.526 -12.342 -14.311 1.00 41.41 C ATOM 1772 CG GLN A 112 0.688 -13.736 -13.727 1.00 33.01 C ATOM 1773 CD GLN A 112 2.133 -14.191 -13.694 1.00 31.12 C ATOM 1774 OE1 GLN A 112 3.052 -13.395 -13.891 1.00 53.14 O ATOM 1775 NE2 GLN A 112 2.344 -15.477 -13.442 1.00 73.33 N ATOM 0 H GLN A 112 -0.045 -10.899 -12.375 1.00 52.54 H new ATOM 0 HA GLN A 112 -1.156 -11.194 -14.998 1.00 10.21 H new ATOM 0 HB2 GLN A 112 0.743 -12.377 -15.379 1.00 41.41 H new ATOM 0 HB3 GLN A 112 1.263 -11.679 -13.858 1.00 41.41 H new ATOM 0 HG2 GLN A 112 0.283 -13.751 -12.715 1.00 33.01 H new ATOM 0 HG3 GLN A 112 0.102 -14.442 -14.315 1.00 33.01 H new ATOM 0 HE21 GLN A 112 1.554 -16.102 -13.285 1.00 73.33 H new ATOM 0 HE22 GLN A 112 3.297 -15.840 -13.406 1.00 73.33 H new ATOM 1784 N VAL A 113 -2.079 -13.245 -12.626 1.00 42.44 N ATOM 1785 CA VAL A 113 -3.021 -14.303 -12.283 1.00 53.54 C ATOM 1786 C VAL A 113 -4.460 -13.810 -12.382 1.00 33.44 C ATOM 1787 O VAL A 113 -5.305 -14.448 -13.011 1.00 10.35 O ATOM 1788 CB VAL A 113 -2.769 -14.839 -10.861 1.00 51.35 C ATOM 1789 CG1 VAL A 113 -3.791 -15.908 -10.504 1.00 52.31 C ATOM 1790 CG2 VAL A 113 -1.353 -15.381 -10.739 1.00 71.43 C ATOM 0 H VAL A 113 -1.598 -12.833 -11.827 1.00 42.44 H new ATOM 0 HA VAL A 113 -2.867 -15.110 -12.999 1.00 53.54 H new ATOM 0 HB VAL A 113 -2.880 -14.015 -10.156 1.00 51.35 H new ATOM 0 HG11 VAL A 113 -3.597 -16.275 -9.496 1.00 52.31 H new ATOM 0 HG12 VAL A 113 -4.793 -15.482 -10.549 1.00 52.31 H new ATOM 0 HG13 VAL A 113 -3.716 -16.734 -11.211 1.00 52.31 H new ATOM 0 HG21 VAL A 113 -1.193 -15.755 -9.728 1.00 71.43 H new ATOM 0 HG22 VAL A 113 -1.211 -16.192 -11.453 1.00 71.43 H new ATOM 0 HG23 VAL A 113 -0.639 -14.584 -10.948 1.00 71.43 H new ATOM 1800 N VAL A 114 -4.734 -12.669 -11.756 1.00 62.31 N ATOM 1801 CA VAL A 114 -6.071 -12.089 -11.774 1.00 44.31 C ATOM 1802 C VAL A 114 -6.560 -11.878 -13.203 1.00 24.40 C ATOM 1803 O VAL A 114 -7.740 -12.062 -13.501 1.00 43.44 O ATOM 1804 CB VAL A 114 -6.109 -10.742 -11.027 1.00 25.43 C ATOM 1805 CG1 VAL A 114 -5.844 -10.948 -9.543 1.00 75.53 C ATOM 1806 CG2 VAL A 114 -5.102 -9.772 -11.626 1.00 62.43 C ATOM 0 H VAL A 114 -4.047 -12.129 -11.230 1.00 62.31 H new ATOM 0 HA VAL A 114 -6.729 -12.796 -11.268 1.00 44.31 H new ATOM 0 HB VAL A 114 -7.104 -10.312 -11.139 1.00 25.43 H new ATOM 0 HG11 VAL A 114 -5.875 -9.986 -9.031 1.00 75.53 H new ATOM 0 HG12 VAL A 114 -6.606 -11.606 -9.125 1.00 75.53 H new ATOM 0 HG13 VAL A 114 -4.861 -11.400 -9.408 1.00 75.53 H new ATOM 0 HG21 VAL A 114 -5.143 -8.826 -11.086 1.00 62.43 H new ATOM 0 HG22 VAL A 114 -4.100 -10.193 -11.546 1.00 62.43 H new ATOM 0 HG23 VAL A 114 -5.341 -9.601 -12.676 1.00 62.43 H new ATOM 1816 N THR A 115 -5.643 -11.492 -14.085 1.00 11.13 N ATOM 1817 CA THR A 115 -5.979 -11.256 -15.483 1.00 33.11 C ATOM 1818 C THR A 115 -6.396 -12.548 -16.175 1.00 25.41 C ATOM 1819 O THR A 115 -7.176 -12.531 -17.126 1.00 0.53 O ATOM 1820 CB THR A 115 -4.796 -10.635 -16.249 1.00 14.23 C ATOM 1821 OG1 THR A 115 -4.351 -9.447 -15.584 1.00 20.24 O ATOM 1822 CG2 THR A 115 -5.191 -10.303 -17.680 1.00 72.31 C ATOM 0 H THR A 115 -4.662 -11.336 -13.855 1.00 11.13 H new ATOM 0 HA THR A 115 -6.815 -10.557 -15.492 1.00 33.11 H new ATOM 0 HB THR A 115 -3.985 -11.363 -16.273 1.00 14.23 H new ATOM 0 HG1 THR A 115 -3.582 -9.659 -15.015 1.00 20.24 H new ATOM 0 HG21 THR A 115 -4.339 -9.866 -18.200 1.00 72.31 H new ATOM 0 HG22 THR A 115 -5.501 -11.214 -18.193 1.00 72.31 H new ATOM 0 HG23 THR A 115 -6.017 -9.591 -17.674 1.00 72.31 H new ATOM 1830 N GLN A 116 -5.869 -13.669 -15.690 1.00 72.25 N ATOM 1831 CA GLN A 116 -6.186 -14.972 -16.263 1.00 54.01 C ATOM 1832 C GLN A 116 -7.584 -15.422 -15.850 1.00 61.15 C ATOM 1833 O GLN A 116 -8.252 -16.154 -16.581 1.00 62.10 O ATOM 1834 CB GLN A 116 -5.153 -16.011 -15.825 1.00 65.13 C ATOM 1835 CG GLN A 116 -3.975 -16.137 -16.778 1.00 43.44 C ATOM 1836 CD GLN A 116 -2.926 -17.113 -16.284 1.00 55.41 C ATOM 1837 OE1 GLN A 116 -1.835 -16.716 -15.874 1.00 43.23 O ATOM 1838 NE2 GLN A 116 -3.252 -18.399 -16.319 1.00 23.42 N ATOM 0 H GLN A 116 -5.221 -13.700 -14.903 1.00 72.25 H new ATOM 0 HA GLN A 116 -6.159 -14.880 -17.349 1.00 54.01 H new ATOM 0 HB2 GLN A 116 -4.782 -15.747 -14.835 1.00 65.13 H new ATOM 0 HB3 GLN A 116 -5.642 -16.981 -15.734 1.00 65.13 H new ATOM 0 HG2 GLN A 116 -4.336 -16.461 -17.754 1.00 43.44 H new ATOM 0 HG3 GLN A 116 -3.518 -15.157 -16.916 1.00 43.44 H new ATOM 0 HE21 GLN A 116 -4.168 -18.684 -16.667 1.00 23.42 H new ATOM 0 HE22 GLN A 116 -2.587 -19.103 -15.998 1.00 23.42 H new ATOM 1847 N ARG A 117 -8.020 -14.980 -14.676 1.00 54.30 N ATOM 1848 CA ARG A 117 -9.338 -15.339 -14.165 1.00 0.51 C ATOM 1849 C ARG A 117 -10.421 -14.471 -14.799 1.00 2.44 C ATOM 1850 O ARG A 117 -11.517 -14.946 -15.095 1.00 12.00 O ATOM 1851 CB ARG A 117 -9.376 -15.191 -12.643 1.00 31.12 C ATOM 1852 CG ARG A 117 -8.190 -15.830 -11.939 1.00 40.43 C ATOM 1853 CD ARG A 117 -8.195 -17.341 -12.098 1.00 72.54 C ATOM 1854 NE ARG A 117 -6.850 -17.905 -12.023 1.00 64.15 N ATOM 1855 CZ ARG A 117 -6.570 -19.177 -12.287 1.00 13.24 C ATOM 1856 NH1 ARG A 117 -7.537 -20.012 -12.641 1.00 21.13 N1+ ATOM 1857 NH2 ARG A 117 -5.321 -19.614 -12.197 1.00 63.20 N ATOM 0 H ARG A 117 -7.480 -14.372 -14.060 1.00 54.30 H new ATOM 0 HA ARG A 117 -9.531 -16.379 -14.426 1.00 0.51 H new ATOM 0 HB2 ARG A 117 -9.410 -14.131 -12.390 1.00 31.12 H new ATOM 0 HB3 ARG A 117 -10.296 -15.638 -12.266 1.00 31.12 H new ATOM 0 HG2 ARG A 117 -7.263 -15.424 -12.344 1.00 40.43 H new ATOM 0 HG3 ARG A 117 -8.214 -15.575 -10.880 1.00 40.43 H new ATOM 0 HD2 ARG A 117 -8.818 -17.785 -11.321 1.00 72.54 H new ATOM 0 HD3 ARG A 117 -8.645 -17.603 -13.056 1.00 72.54 H new ATOM 0 HE ARG A 117 -6.083 -17.289 -11.753 1.00 64.15 H new ATOM 0 HH11 ARG A 117 -8.498 -19.679 -12.711 1.00 21.13 H new ATOM 0 HH12 ARG A 117 -7.320 -20.988 -12.843 1.00 21.13 H new ATOM 0 HH21 ARG A 117 -4.575 -18.974 -11.925 1.00 63.20 H new ATOM 0 HH22 ARG A 117 -5.106 -20.590 -12.400 1.00 63.20 H new ATOM 1871 N VAL A 118 -10.106 -13.195 -15.003 1.00 41.12 N ATOM 1872 CA VAL A 118 -11.052 -12.261 -15.601 1.00 4.21 C ATOM 1873 C VAL A 118 -11.646 -12.828 -16.886 1.00 14.31 C ATOM 1874 O VAL A 118 -12.780 -12.514 -17.248 1.00 21.50 O ATOM 1875 CB VAL A 118 -10.385 -10.907 -15.910 1.00 24.22 C ATOM 1876 CG1 VAL A 118 -9.604 -10.982 -17.213 1.00 62.13 C ATOM 1877 CG2 VAL A 118 -11.426 -9.801 -15.967 1.00 2.43 C ATOM 0 H VAL A 118 -9.203 -12.785 -14.763 1.00 41.12 H new ATOM 0 HA VAL A 118 -11.848 -12.107 -14.873 1.00 4.21 H new ATOM 0 HB VAL A 118 -9.685 -10.675 -15.107 1.00 24.22 H new ATOM 0 HG11 VAL A 118 -9.140 -10.017 -17.415 1.00 62.13 H new ATOM 0 HG12 VAL A 118 -8.831 -11.746 -17.130 1.00 62.13 H new ATOM 0 HG13 VAL A 118 -10.281 -11.237 -18.029 1.00 62.13 H new ATOM 0 HG21 VAL A 118 -10.937 -8.852 -16.186 1.00 2.43 H new ATOM 0 HG22 VAL A 118 -12.152 -10.024 -16.749 1.00 2.43 H new ATOM 0 HG23 VAL A 118 -11.937 -9.732 -15.007 1.00 2.43 H new