USER MOD reduce.3.24.130724 H: found=0, std=0, add=831, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 826 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 Set 1.1: A 16 TYR OH : rot 130:sc= 0 USER MOD Set 1.2: A 75 THR OG1 : rot 33:sc= 0.489 USER MOD Set 2.1: A 31 MET CE :methyl -165:sc= -1.12 (180deg=-1.55!) USER MOD Set 2.2: A 79 TYR OH : rot 95:sc= -2.72! USER MOD Single : A 1 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 1 HIS N :NH3+ -101:sc= 0.0386 (180deg=0) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 169:sc= 1.39 USER MOD Single : A 5 CYS SG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot -149:sc= -1.92! USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= -1.06 K(o=-1.1,f=-0.36) USER MOD Single : A 12 GLN : amide:sc= -0.11 K(o=-0.11,f=-0.76) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 19 HIS : no HE2:sc= 1.24 K(o=1.2,f=-4.2!) USER MOD Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 174:sc= 0.606 (180deg=0.426) USER MOD Single : A 28 CYS SG : rot 170:sc= -3.85! USER MOD Single : A 34 LYS NZ :NH3+ 177:sc= 1.46 (180deg=1.36) USER MOD Single : A 35 LYS NZ :NH3+ -118:sc= 1.13 (180deg=-0.0624) USER MOD Single : A 41 HIS : no HE2:sc= -4.23! C(o=-4.2!,f=-6.1!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ -162:sc= 0.816 (180deg=-0.115) USER MOD Single : A 68 SER OG : rot -125:sc= 1.12 USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.281 USER MOD Single : A 71 MET CE :methyl 169:sc= -1 (180deg=-1.1) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ -168:sc= -0.0143 (180deg=-0.19) USER MOD Single : A 78 CYS SG : rot 180:sc= -0.27 USER MOD Single : A 81 THR OG1 : rot -43:sc= 0.116 USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 4.185 7.427 -12.719 1.00 0.00 N ATOM 2 CA HIS A 1 2.932 7.622 -12.003 1.00 0.00 C ATOM 3 C HIS A 1 3.215 7.781 -10.532 1.00 0.00 C ATOM 4 O HIS A 1 4.105 7.134 -10.013 1.00 0.00 O ATOM 5 CB HIS A 1 1.968 6.442 -12.229 1.00 0.00 C ATOM 6 CG HIS A 1 1.478 6.294 -13.639 1.00 0.00 C ATOM 7 ND1 HIS A 1 0.470 7.060 -14.180 1.00 0.00 N ATOM 8 CD2 HIS A 1 1.875 5.448 -14.624 1.00 0.00 C ATOM 9 CE1 HIS A 1 0.284 6.674 -15.441 1.00 0.00 C ATOM 10 NE2 HIS A 1 1.114 5.693 -15.768 1.00 0.00 N ATOM 0 H1 HIS A 1 4.470 8.320 -13.169 1.00 0.00 H new ATOM 0 H2 HIS A 1 4.923 7.125 -12.051 1.00 0.00 H new ATOM 0 H3 HIS A 1 4.058 6.697 -13.448 1.00 0.00 H new ATOM 0 HA HIS A 1 2.453 8.523 -12.386 1.00 0.00 H new ATOM 0 HB2 HIS A 1 2.469 5.520 -11.934 1.00 0.00 H new ATOM 0 HB3 HIS A 1 1.108 6.562 -11.571 1.00 0.00 H new ATOM 0 HD2 HIS A 1 2.654 4.705 -14.536 1.00 0.00 H new ATOM 0 HE1 HIS A 1 -0.447 7.104 -16.110 1.00 0.00 H new ATOM 0 HE2 HIS A 1 1.182 5.217 -16.668 1.00 0.00 H new ATOM 18 N MET A 2 2.473 8.659 -9.881 1.00 0.00 N ATOM 19 CA MET A 2 2.580 8.944 -8.461 1.00 0.00 C ATOM 20 C MET A 2 1.171 9.237 -7.969 1.00 0.00 C ATOM 21 O MET A 2 0.471 10.054 -8.576 1.00 0.00 O ATOM 22 CB MET A 2 3.467 10.182 -8.207 1.00 0.00 C ATOM 23 CG MET A 2 4.928 10.046 -8.613 1.00 0.00 C ATOM 24 SD MET A 2 5.856 11.571 -8.334 1.00 0.00 S ATOM 25 CE MET A 2 7.501 11.071 -8.854 1.00 0.00 C ATOM 0 H MET A 2 1.753 9.214 -10.344 1.00 0.00 H new ATOM 0 HA MET A 2 3.031 8.098 -7.942 1.00 0.00 H new ATOM 0 HB2 MET A 2 3.038 11.029 -8.743 1.00 0.00 H new ATOM 0 HB3 MET A 2 3.426 10.423 -7.145 1.00 0.00 H new ATOM 0 HG2 MET A 2 5.387 9.235 -8.048 1.00 0.00 H new ATOM 0 HG3 MET A 2 4.987 9.774 -9.667 1.00 0.00 H new ATOM 0 HE1 MET A 2 8.189 11.909 -8.740 1.00 0.00 H new ATOM 0 HE2 MET A 2 7.839 10.237 -8.239 1.00 0.00 H new ATOM 0 HE3 MET A 2 7.474 10.763 -9.899 1.00 0.00 H new ATOM 35 N THR A 3 0.747 8.590 -6.920 1.00 0.00 N ATOM 36 CA THR A 3 -0.592 8.770 -6.426 1.00 0.00 C ATOM 37 C THR A 3 -0.591 9.453 -5.059 1.00 0.00 C ATOM 38 O THR A 3 0.190 9.085 -4.152 1.00 0.00 O ATOM 39 CB THR A 3 -1.368 7.419 -6.379 1.00 0.00 C ATOM 40 OG1 THR A 3 -2.734 7.615 -5.977 1.00 0.00 O ATOM 41 CG2 THR A 3 -0.706 6.424 -5.443 1.00 0.00 C ATOM 0 H THR A 3 1.312 7.929 -6.387 1.00 0.00 H new ATOM 0 HA THR A 3 -1.113 9.425 -7.124 1.00 0.00 H new ATOM 0 HB THR A 3 -1.349 7.013 -7.390 1.00 0.00 H new ATOM 0 HG1 THR A 3 -3.241 6.790 -6.127 1.00 0.00 H new ATOM 0 HG21 THR A 3 -1.276 5.495 -5.437 1.00 0.00 H new ATOM 0 HG22 THR A 3 0.310 6.224 -5.784 1.00 0.00 H new ATOM 0 HG23 THR A 3 -0.676 6.837 -4.435 1.00 0.00 H new ATOM 49 N PHE A 4 -1.417 10.476 -4.920 1.00 0.00 N ATOM 50 CA PHE A 4 -1.524 11.210 -3.676 1.00 0.00 C ATOM 51 C PHE A 4 -2.980 11.430 -3.287 1.00 0.00 C ATOM 52 O PHE A 4 -3.273 12.033 -2.262 1.00 0.00 O ATOM 53 CB PHE A 4 -0.754 12.540 -3.745 1.00 0.00 C ATOM 54 CG PHE A 4 0.691 12.346 -4.093 1.00 0.00 C ATOM 55 CD1 PHE A 4 1.574 11.859 -3.153 1.00 0.00 C ATOM 56 CD2 PHE A 4 1.153 12.601 -5.371 1.00 0.00 C ATOM 57 CE1 PHE A 4 2.890 11.635 -3.474 1.00 0.00 C ATOM 58 CE2 PHE A 4 2.467 12.372 -5.699 1.00 0.00 C ATOM 59 CZ PHE A 4 3.335 11.889 -4.747 1.00 0.00 C ATOM 0 H PHE A 4 -2.027 10.817 -5.662 1.00 0.00 H new ATOM 0 HA PHE A 4 -1.064 10.605 -2.895 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -1.220 13.188 -4.487 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -0.828 13.050 -2.785 1.00 0.00 H new ATOM 0 HD1 PHE A 4 1.226 11.651 -2.152 1.00 0.00 H new ATOM 0 HD2 PHE A 4 0.474 12.984 -6.119 1.00 0.00 H new ATOM 0 HE1 PHE A 4 3.573 11.260 -2.726 1.00 0.00 H new ATOM 0 HE2 PHE A 4 2.818 12.570 -6.701 1.00 0.00 H new ATOM 0 HZ PHE A 4 4.369 11.709 -5.002 1.00 0.00 H new ATOM 69 N CYS A 5 -3.878 10.894 -4.068 1.00 0.00 N ATOM 70 CA CYS A 5 -5.285 11.021 -3.791 1.00 0.00 C ATOM 71 C CYS A 5 -5.784 9.809 -3.001 1.00 0.00 C ATOM 72 O CYS A 5 -5.924 8.710 -3.544 1.00 0.00 O ATOM 73 CB CYS A 5 -6.063 11.160 -5.099 1.00 0.00 C ATOM 74 SG CYS A 5 -5.603 12.601 -6.087 1.00 0.00 S ATOM 0 H CYS A 5 -3.659 10.360 -4.909 1.00 0.00 H new ATOM 0 HA CYS A 5 -5.446 11.915 -3.188 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -5.911 10.261 -5.696 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -7.127 11.215 -4.871 1.00 0.00 H new ATOM 0 HG CYS A 5 -6.316 12.627 -7.174 1.00 0.00 H new ATOM 80 N LEU A 6 -5.989 9.973 -1.711 1.00 0.00 N ATOM 81 CA LEU A 6 -6.514 8.875 -0.923 1.00 0.00 C ATOM 82 C LEU A 6 -7.984 9.043 -0.608 1.00 0.00 C ATOM 83 O LEU A 6 -8.763 8.097 -0.672 1.00 0.00 O ATOM 84 CB LEU A 6 -5.678 8.515 0.347 1.00 0.00 C ATOM 85 CG LEU A 6 -5.184 9.620 1.329 1.00 0.00 C ATOM 86 CD1 LEU A 6 -6.311 10.469 1.892 1.00 0.00 C ATOM 87 CD2 LEU A 6 -4.464 8.961 2.484 1.00 0.00 C ATOM 0 H LEU A 6 -5.806 10.833 -1.194 1.00 0.00 H new ATOM 0 HA LEU A 6 -6.412 8.006 -1.573 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -6.273 7.813 0.931 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -4.795 7.976 0.004 1.00 0.00 H new ATOM 0 HG LEU A 6 -4.528 10.280 0.761 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -5.899 11.218 2.568 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -6.835 10.966 1.076 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -7.008 9.833 2.437 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -4.114 9.725 3.178 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -5.147 8.287 3.001 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -3.612 8.396 2.107 1.00 0.00 H new ATOM 99 N GLU A 7 -8.373 10.268 -0.373 1.00 0.00 N ATOM 100 CA GLU A 7 -9.719 10.582 0.007 1.00 0.00 C ATOM 101 C GLU A 7 -10.629 10.497 -1.196 1.00 0.00 C ATOM 102 O GLU A 7 -11.819 10.279 -1.066 1.00 0.00 O ATOM 103 CB GLU A 7 -9.764 11.948 0.689 1.00 0.00 C ATOM 104 CG GLU A 7 -11.099 12.320 1.291 1.00 0.00 C ATOM 105 CD GLU A 7 -11.043 13.642 1.995 1.00 0.00 C ATOM 106 OE1 GLU A 7 -11.129 14.691 1.326 1.00 0.00 O ATOM 107 OE2 GLU A 7 -10.920 13.666 3.237 1.00 0.00 O ATOM 0 H GLU A 7 -7.759 11.079 -0.441 1.00 0.00 H new ATOM 0 HA GLU A 7 -10.081 9.853 0.732 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -9.010 11.969 1.476 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -9.486 12.710 -0.039 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -11.854 12.358 0.506 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -11.409 11.547 1.994 1.00 0.00 H new ATOM 114 N THR A 8 -10.045 10.603 -2.365 1.00 0.00 N ATOM 115 CA THR A 8 -10.766 10.483 -3.588 1.00 0.00 C ATOM 116 C THR A 8 -11.277 9.057 -3.680 1.00 0.00 C ATOM 117 O THR A 8 -12.417 8.820 -4.017 1.00 0.00 O ATOM 118 CB THR A 8 -9.820 10.748 -4.737 1.00 0.00 C ATOM 119 OG1 THR A 8 -9.042 11.909 -4.414 1.00 0.00 O ATOM 120 CG2 THR A 8 -10.572 10.973 -6.043 1.00 0.00 C ATOM 0 H THR A 8 -9.047 10.776 -2.485 1.00 0.00 H new ATOM 0 HA THR A 8 -11.594 11.191 -3.627 1.00 0.00 H new ATOM 0 HB THR A 8 -9.178 9.878 -4.880 1.00 0.00 H new ATOM 0 HG1 THR A 8 -8.810 12.387 -5.238 1.00 0.00 H new ATOM 0 HG21 THR A 8 -9.859 11.160 -6.846 1.00 0.00 H new ATOM 0 HG22 THR A 8 -11.162 10.088 -6.281 1.00 0.00 H new ATOM 0 HG23 THR A 8 -11.234 11.832 -5.938 1.00 0.00 H new ATOM 128 N TYR A 9 -10.434 8.125 -3.268 1.00 0.00 N ATOM 129 CA TYR A 9 -10.778 6.725 -3.275 1.00 0.00 C ATOM 130 C TYR A 9 -11.749 6.414 -2.182 1.00 0.00 C ATOM 131 O TYR A 9 -12.635 5.591 -2.342 1.00 0.00 O ATOM 132 CB TYR A 9 -9.545 5.843 -3.184 1.00 0.00 C ATOM 133 CG TYR A 9 -8.871 5.646 -4.511 1.00 0.00 C ATOM 134 CD1 TYR A 9 -7.979 6.581 -5.013 1.00 0.00 C ATOM 135 CD2 TYR A 9 -9.150 4.524 -5.278 1.00 0.00 C ATOM 136 CE1 TYR A 9 -7.384 6.402 -6.242 1.00 0.00 C ATOM 137 CE2 TYR A 9 -8.558 4.335 -6.504 1.00 0.00 C ATOM 138 CZ TYR A 9 -7.678 5.274 -6.984 1.00 0.00 C ATOM 139 OH TYR A 9 -7.090 5.089 -8.211 1.00 0.00 O ATOM 0 H TYR A 9 -9.496 8.323 -2.921 1.00 0.00 H new ATOM 0 HA TYR A 9 -11.258 6.507 -4.229 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -8.837 6.287 -2.485 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -9.828 4.872 -2.778 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -7.748 7.462 -4.432 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -9.845 3.786 -4.905 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -6.692 7.138 -6.623 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -8.783 3.454 -7.086 1.00 0.00 H new ATOM 0 HH TYR A 9 -7.403 4.246 -8.600 1.00 0.00 H new ATOM 149 N LEU A 10 -11.602 7.121 -1.097 1.00 0.00 N ATOM 150 CA LEU A 10 -12.466 6.994 0.044 1.00 0.00 C ATOM 151 C LEU A 10 -13.884 7.455 -0.357 1.00 0.00 C ATOM 152 O LEU A 10 -14.879 6.856 0.003 1.00 0.00 O ATOM 153 CB LEU A 10 -11.851 7.829 1.185 1.00 0.00 C ATOM 154 CG LEU A 10 -12.366 7.632 2.613 1.00 0.00 C ATOM 155 CD1 LEU A 10 -11.356 8.205 3.583 1.00 0.00 C ATOM 156 CD2 LEU A 10 -13.699 8.324 2.819 1.00 0.00 C ATOM 0 H LEU A 10 -10.864 7.815 -0.978 1.00 0.00 H new ATOM 0 HA LEU A 10 -12.557 5.965 0.392 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -10.778 7.635 1.193 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -11.983 8.881 0.930 1.00 0.00 H new ATOM 0 HG LEU A 10 -12.504 6.565 2.786 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -11.714 8.069 4.604 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -10.403 7.691 3.462 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -11.223 9.268 3.384 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -14.037 8.165 3.843 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -13.586 9.393 2.636 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -14.433 7.913 2.126 1.00 0.00 H new ATOM 168 N GLN A 11 -13.940 8.486 -1.160 1.00 0.00 N ATOM 169 CA GLN A 11 -15.180 9.018 -1.670 1.00 0.00 C ATOM 170 C GLN A 11 -15.753 8.101 -2.735 1.00 0.00 C ATOM 171 O GLN A 11 -16.966 7.871 -2.789 1.00 0.00 O ATOM 172 CB GLN A 11 -14.938 10.414 -2.226 1.00 0.00 C ATOM 173 CG GLN A 11 -14.766 11.468 -1.149 1.00 0.00 C ATOM 174 CD GLN A 11 -14.296 12.790 -1.698 1.00 0.00 C ATOM 175 OE1 GLN A 11 -14.569 13.143 -2.847 1.00 0.00 O ATOM 176 NE2 GLN A 11 -13.597 13.535 -0.892 1.00 0.00 N ATOM 0 H GLN A 11 -13.113 8.988 -1.484 1.00 0.00 H new ATOM 0 HA GLN A 11 -15.907 9.081 -0.861 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -14.047 10.398 -2.854 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -15.775 10.692 -2.867 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -15.715 11.611 -0.632 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -14.050 11.111 -0.409 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -13.390 13.210 0.053 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -13.256 14.444 -1.205 1.00 0.00 H new ATOM 185 N GLN A 12 -14.871 7.534 -3.540 1.00 0.00 N ATOM 186 CA GLN A 12 -15.263 6.649 -4.626 1.00 0.00 C ATOM 187 C GLN A 12 -15.654 5.273 -4.138 1.00 0.00 C ATOM 188 O GLN A 12 -16.271 4.505 -4.889 1.00 0.00 O ATOM 189 CB GLN A 12 -14.171 6.537 -5.698 1.00 0.00 C ATOM 190 CG GLN A 12 -13.937 7.805 -6.504 1.00 0.00 C ATOM 191 CD GLN A 12 -15.127 8.188 -7.358 1.00 0.00 C ATOM 192 OE1 GLN A 12 -15.885 7.330 -7.818 1.00 0.00 O ATOM 193 NE2 GLN A 12 -15.299 9.461 -7.577 1.00 0.00 N ATOM 0 H GLN A 12 -13.864 7.673 -3.460 1.00 0.00 H new ATOM 0 HA GLN A 12 -16.143 7.106 -5.078 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -13.236 6.252 -5.216 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -14.435 5.731 -6.383 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -13.706 8.625 -5.824 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -13.066 7.667 -7.144 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -14.650 10.139 -7.179 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -16.083 9.779 -8.147 1.00 0.00 H new ATOM 202 N SER A 13 -15.289 4.972 -2.901 1.00 0.00 N ATOM 203 CA SER A 13 -15.539 3.705 -2.258 1.00 0.00 C ATOM 204 C SER A 13 -14.602 2.645 -2.819 1.00 0.00 C ATOM 205 O SER A 13 -14.734 2.204 -3.968 1.00 0.00 O ATOM 206 CB SER A 13 -17.015 3.283 -2.324 1.00 0.00 C ATOM 207 OG SER A 13 -17.847 4.277 -1.725 1.00 0.00 O ATOM 0 H SER A 13 -14.793 5.632 -2.302 1.00 0.00 H new ATOM 0 HA SER A 13 -15.326 3.820 -1.195 1.00 0.00 H new ATOM 0 HB2 SER A 13 -17.310 3.131 -3.362 1.00 0.00 H new ATOM 0 HB3 SER A 13 -17.150 2.330 -1.812 1.00 0.00 H new ATOM 0 HG SER A 13 -18.784 3.994 -1.777 1.00 0.00 H new ATOM 213 N GLY A 14 -13.653 2.271 -2.033 1.00 0.00 N ATOM 214 CA GLY A 14 -12.673 1.328 -2.458 1.00 0.00 C ATOM 215 C GLY A 14 -11.325 1.787 -2.029 1.00 0.00 C ATOM 216 O GLY A 14 -10.375 1.772 -2.798 1.00 0.00 O ATOM 0 H GLY A 14 -13.533 2.609 -1.078 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -12.888 0.348 -2.033 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -12.704 1.219 -3.542 1.00 0.00 H new ATOM 220 N GLU A 15 -11.268 2.212 -0.807 1.00 0.00 N ATOM 221 CA GLU A 15 -10.102 2.744 -0.194 1.00 0.00 C ATOM 222 C GLU A 15 -9.423 1.705 0.704 1.00 0.00 C ATOM 223 O GLU A 15 -10.046 0.708 1.116 1.00 0.00 O ATOM 224 CB GLU A 15 -10.460 3.992 0.650 1.00 0.00 C ATOM 225 CG GLU A 15 -11.503 3.767 1.778 1.00 0.00 C ATOM 226 CD GLU A 15 -12.963 3.680 1.317 1.00 0.00 C ATOM 227 OE1 GLU A 15 -13.355 2.700 0.644 1.00 0.00 O ATOM 228 OE2 GLU A 15 -13.744 4.595 1.629 1.00 0.00 O ATOM 0 H GLU A 15 -12.075 2.195 -0.183 1.00 0.00 H new ATOM 0 HA GLU A 15 -9.411 3.024 -0.989 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -9.545 4.379 1.099 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -10.838 4.764 -0.020 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -11.251 2.847 2.304 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -11.415 4.580 2.498 1.00 0.00 H new ATOM 235 N TYR A 16 -8.159 1.930 0.961 1.00 0.00 N ATOM 236 CA TYR A 16 -7.321 1.106 1.844 1.00 0.00 C ATOM 237 C TYR A 16 -6.502 2.119 2.625 1.00 0.00 C ATOM 238 O TYR A 16 -5.452 1.826 3.207 1.00 0.00 O ATOM 239 CB TYR A 16 -6.393 0.243 0.959 1.00 0.00 C ATOM 240 CG TYR A 16 -5.616 -0.878 1.633 1.00 0.00 C ATOM 241 CD1 TYR A 16 -6.223 -2.093 1.916 1.00 0.00 C ATOM 242 CD2 TYR A 16 -4.273 -0.733 1.949 1.00 0.00 C ATOM 243 CE1 TYR A 16 -5.518 -3.128 2.503 1.00 0.00 C ATOM 244 CE2 TYR A 16 -3.562 -1.759 2.536 1.00 0.00 C ATOM 245 CZ TYR A 16 -4.189 -2.954 2.814 1.00 0.00 C ATOM 246 OH TYR A 16 -3.480 -3.982 3.399 1.00 0.00 O ATOM 0 H TYR A 16 -7.652 2.716 0.554 1.00 0.00 H new ATOM 0 HA TYR A 16 -7.886 0.442 2.498 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -6.999 -0.198 0.167 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -5.675 0.907 0.478 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -7.266 -2.233 1.673 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -3.775 0.200 1.731 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -6.008 -4.067 2.716 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -2.518 -1.626 2.777 1.00 0.00 H new ATOM 0 HH TYR A 16 -2.645 -4.125 2.906 1.00 0.00 H new ATOM 256 N GLU A 17 -7.080 3.297 2.712 1.00 0.00 N ATOM 257 CA GLU A 17 -6.451 4.438 3.287 1.00 0.00 C ATOM 258 C GLU A 17 -7.438 5.159 4.167 1.00 0.00 C ATOM 259 O GLU A 17 -8.643 4.903 4.094 1.00 0.00 O ATOM 260 CB GLU A 17 -6.009 5.417 2.183 1.00 0.00 C ATOM 261 CG GLU A 17 -5.079 4.870 1.098 1.00 0.00 C ATOM 262 CD GLU A 17 -5.793 4.072 0.012 1.00 0.00 C ATOM 263 OE1 GLU A 17 -6.778 4.588 -0.554 1.00 0.00 O ATOM 264 OE2 GLU A 17 -5.311 2.995 -0.374 1.00 0.00 O ATOM 0 H GLU A 17 -8.024 3.480 2.373 1.00 0.00 H new ATOM 0 HA GLU A 17 -5.586 4.104 3.860 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -6.904 5.805 1.697 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -5.513 6.262 2.659 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -4.550 5.702 0.634 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -4.326 4.235 1.565 1.00 0.00 H new ATOM 271 N ILE A 18 -6.951 6.081 4.963 1.00 0.00 N ATOM 272 CA ILE A 18 -7.827 6.820 5.819 1.00 0.00 C ATOM 273 C ILE A 18 -7.669 8.314 5.462 1.00 0.00 C ATOM 274 O ILE A 18 -6.939 8.619 4.530 1.00 0.00 O ATOM 275 CB ILE A 18 -7.613 6.509 7.363 1.00 0.00 C ATOM 276 CG1 ILE A 18 -8.924 6.747 8.149 1.00 0.00 C ATOM 277 CG2 ILE A 18 -6.490 7.347 7.969 1.00 0.00 C ATOM 278 CD1 ILE A 18 -8.850 6.392 9.622 1.00 0.00 C ATOM 0 H ILE A 18 -5.964 6.330 5.031 1.00 0.00 H new ATOM 0 HA ILE A 18 -8.858 6.510 5.647 1.00 0.00 H new ATOM 0 HB ILE A 18 -7.325 5.460 7.440 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -9.203 7.796 8.055 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -9.720 6.163 7.687 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -6.381 7.100 9.025 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -5.556 7.135 7.448 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -6.730 8.405 7.867 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -9.813 6.591 10.093 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -8.604 5.335 9.730 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -8.079 6.994 10.103 1.00 0.00 H new ATOM 290 N HIS A 19 -8.307 9.233 6.187 1.00 0.00 N ATOM 291 CA HIS A 19 -8.224 10.702 5.897 1.00 0.00 C ATOM 292 C HIS A 19 -6.846 11.308 6.288 1.00 0.00 C ATOM 293 O HIS A 19 -6.762 12.419 6.817 1.00 0.00 O ATOM 294 CB HIS A 19 -9.348 11.476 6.617 1.00 0.00 C ATOM 295 CG HIS A 19 -10.743 11.156 6.160 1.00 0.00 C ATOM 296 ND1 HIS A 19 -11.400 11.820 5.142 1.00 0.00 N ATOM 297 CD2 HIS A 19 -11.621 10.236 6.624 1.00 0.00 C ATOM 298 CE1 HIS A 19 -12.616 11.304 5.027 1.00 0.00 C ATOM 299 NE2 HIS A 19 -12.807 10.331 5.905 1.00 0.00 N ATOM 0 H HIS A 19 -8.895 9.004 6.988 1.00 0.00 H new ATOM 0 HA HIS A 19 -8.345 10.806 4.819 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -9.278 11.274 7.686 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -9.175 12.544 6.482 1.00 0.00 H new ATOM 0 HD1 HIS A 19 -11.016 12.577 4.576 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -11.430 9.538 7.426 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -13.354 11.634 4.311 1.00 0.00 H new ATOM 307 N MET A 20 -5.806 10.601 5.963 1.00 0.00 N ATOM 308 CA MET A 20 -4.435 10.972 6.234 1.00 0.00 C ATOM 309 C MET A 20 -3.746 11.363 4.921 1.00 0.00 C ATOM 310 O MET A 20 -4.387 11.939 4.046 1.00 0.00 O ATOM 311 CB MET A 20 -3.753 9.788 6.896 1.00 0.00 C ATOM 312 CG MET A 20 -3.907 9.730 8.402 1.00 0.00 C ATOM 313 SD MET A 20 -3.066 8.307 9.112 1.00 0.00 S ATOM 314 CE MET A 20 -3.406 8.556 10.848 1.00 0.00 C ATOM 0 H MET A 20 -5.886 9.707 5.479 1.00 0.00 H new ATOM 0 HA MET A 20 -4.380 11.831 6.902 1.00 0.00 H new ATOM 0 HB2 MET A 20 -4.154 8.869 6.468 1.00 0.00 H new ATOM 0 HB3 MET A 20 -2.691 9.816 6.654 1.00 0.00 H new ATOM 0 HG2 MET A 20 -3.508 10.644 8.843 1.00 0.00 H new ATOM 0 HG3 MET A 20 -4.966 9.689 8.657 1.00 0.00 H new ATOM 0 HE1 MET A 20 -2.950 7.753 11.427 1.00 0.00 H new ATOM 0 HE2 MET A 20 -2.992 9.513 11.166 1.00 0.00 H new ATOM 0 HE3 MET A 20 -4.484 8.554 11.012 1.00 0.00 H new ATOM 324 N LYS A 21 -2.463 11.077 4.772 1.00 0.00 N ATOM 325 CA LYS A 21 -1.755 11.457 3.569 1.00 0.00 C ATOM 326 C LYS A 21 -1.182 10.192 2.909 1.00 0.00 C ATOM 327 O LYS A 21 -0.632 9.324 3.595 1.00 0.00 O ATOM 328 CB LYS A 21 -0.648 12.479 3.949 1.00 0.00 C ATOM 329 CG LYS A 21 -0.042 13.291 2.797 1.00 0.00 C ATOM 330 CD LYS A 21 0.919 12.507 1.937 1.00 0.00 C ATOM 331 CE LYS A 21 1.404 13.346 0.768 1.00 0.00 C ATOM 332 NZ LYS A 21 2.427 12.641 -0.026 1.00 0.00 N ATOM 0 H LYS A 21 -1.898 10.587 5.465 1.00 0.00 H new ATOM 0 HA LYS A 21 -2.419 11.934 2.848 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -1.063 13.176 4.677 1.00 0.00 H new ATOM 0 HB3 LYS A 21 0.158 11.940 4.447 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -0.848 13.672 2.170 1.00 0.00 H new ATOM 0 HG3 LYS A 21 0.477 14.156 3.209 1.00 0.00 H new ATOM 0 HD2 LYS A 21 1.770 12.184 2.536 1.00 0.00 H new ATOM 0 HD3 LYS A 21 0.430 11.606 1.566 1.00 0.00 H new ATOM 0 HE2 LYS A 21 0.559 13.600 0.128 1.00 0.00 H new ATOM 0 HE3 LYS A 21 1.816 14.284 1.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 2.659 13.202 -0.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 3.284 12.511 0.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 2.061 11.712 -0.317 1.00 0.00 H new ATOM 346 N ARG A 22 -1.354 10.060 1.600 1.00 0.00 N ATOM 347 CA ARG A 22 -0.831 8.905 0.893 1.00 0.00 C ATOM 348 C ARG A 22 0.321 9.357 0.012 1.00 0.00 C ATOM 349 O ARG A 22 0.347 10.500 -0.468 1.00 0.00 O ATOM 350 CB ARG A 22 -1.915 8.196 0.011 1.00 0.00 C ATOM 351 CG ARG A 22 -1.934 8.635 -1.465 1.00 0.00 C ATOM 352 CD ARG A 22 -2.964 7.901 -2.327 1.00 0.00 C ATOM 353 NE ARG A 22 -2.779 6.451 -2.369 1.00 0.00 N ATOM 354 CZ ARG A 22 -3.753 5.577 -2.153 1.00 0.00 C ATOM 355 NH1 ARG A 22 -5.033 5.975 -2.186 1.00 0.00 N ATOM 356 NH2 ARG A 22 -3.464 4.294 -2.037 1.00 0.00 N ATOM 0 H ARG A 22 -1.847 10.733 1.013 1.00 0.00 H new ATOM 0 HA ARG A 22 -0.499 8.180 1.635 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -1.750 7.119 0.053 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -2.897 8.386 0.445 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -2.135 9.705 -1.511 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -0.943 8.479 -1.891 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -3.962 8.119 -1.947 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -2.917 8.293 -3.343 1.00 0.00 H new ATOM 0 HE ARG A 22 -1.847 6.091 -2.576 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -5.259 6.951 -2.377 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -5.781 5.302 -2.020 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -2.496 3.980 -2.114 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -4.208 3.617 -1.871 1.00 0.00 H new ATOM 370 N ALA A 23 1.266 8.515 -0.171 1.00 0.00 N ATOM 371 CA ALA A 23 2.371 8.832 -1.042 1.00 0.00 C ATOM 372 C ALA A 23 2.757 7.614 -1.832 1.00 0.00 C ATOM 373 O ALA A 23 3.649 6.866 -1.446 1.00 0.00 O ATOM 374 CB ALA A 23 3.546 9.390 -0.262 1.00 0.00 C ATOM 0 H ALA A 23 1.312 7.594 0.264 1.00 0.00 H new ATOM 0 HA ALA A 23 2.059 9.611 -1.738 1.00 0.00 H new ATOM 0 HB1 ALA A 23 4.362 9.619 -0.947 1.00 0.00 H new ATOM 0 HB2 ALA A 23 3.241 10.300 0.255 1.00 0.00 H new ATOM 0 HB3 ALA A 23 3.881 8.653 0.468 1.00 0.00 H new ATOM 380 N GLY A 24 2.066 7.400 -2.915 1.00 0.00 N ATOM 381 CA GLY A 24 2.293 6.237 -3.716 1.00 0.00 C ATOM 382 C GLY A 24 3.080 6.513 -4.936 1.00 0.00 C ATOM 383 O GLY A 24 2.535 6.605 -6.019 1.00 0.00 O ATOM 0 H GLY A 24 1.336 8.022 -3.263 1.00 0.00 H new ATOM 0 HA2 GLY A 24 2.813 5.488 -3.118 1.00 0.00 H new ATOM 0 HA3 GLY A 24 1.333 5.807 -4.001 1.00 0.00 H new ATOM 387 N PHE A 25 4.361 6.625 -4.778 1.00 0.00 N ATOM 388 CA PHE A 25 5.227 6.908 -5.897 1.00 0.00 C ATOM 389 C PHE A 25 5.391 5.654 -6.737 1.00 0.00 C ATOM 390 O PHE A 25 4.936 5.586 -7.862 1.00 0.00 O ATOM 391 CB PHE A 25 6.601 7.397 -5.419 1.00 0.00 C ATOM 392 CG PHE A 25 6.591 8.676 -4.639 1.00 0.00 C ATOM 393 CD1 PHE A 25 6.461 8.663 -3.266 1.00 0.00 C ATOM 394 CD2 PHE A 25 6.733 9.889 -5.283 1.00 0.00 C ATOM 395 CE1 PHE A 25 6.469 9.836 -2.552 1.00 0.00 C ATOM 396 CE2 PHE A 25 6.746 11.069 -4.573 1.00 0.00 C ATOM 397 CZ PHE A 25 6.613 11.043 -3.205 1.00 0.00 C ATOM 0 H PHE A 25 4.840 6.526 -3.883 1.00 0.00 H new ATOM 0 HA PHE A 25 4.774 7.698 -6.496 1.00 0.00 H new ATOM 0 HB2 PHE A 25 7.051 6.619 -4.803 1.00 0.00 H new ATOM 0 HB3 PHE A 25 7.245 7.527 -6.289 1.00 0.00 H new ATOM 0 HD1 PHE A 25 6.352 7.722 -2.748 1.00 0.00 H new ATOM 0 HD2 PHE A 25 6.835 9.913 -6.358 1.00 0.00 H new ATOM 0 HE1 PHE A 25 6.362 9.814 -1.478 1.00 0.00 H new ATOM 0 HE2 PHE A 25 6.860 12.011 -5.089 1.00 0.00 H new ATOM 0 HZ PHE A 25 6.621 11.965 -2.643 1.00 0.00 H new ATOM 407 N ARG A 26 5.945 4.620 -6.148 1.00 0.00 N ATOM 408 CA ARG A 26 6.187 3.412 -6.918 1.00 0.00 C ATOM 409 C ARG A 26 4.942 2.584 -7.009 1.00 0.00 C ATOM 410 O ARG A 26 4.579 2.094 -8.069 1.00 0.00 O ATOM 411 CB ARG A 26 7.325 2.560 -6.363 1.00 0.00 C ATOM 412 CG ARG A 26 8.718 3.155 -6.444 1.00 0.00 C ATOM 413 CD ARG A 26 8.974 4.197 -5.384 1.00 0.00 C ATOM 414 NE ARG A 26 10.256 4.869 -5.577 1.00 0.00 N ATOM 415 CZ ARG A 26 11.050 5.335 -4.601 1.00 0.00 C ATOM 416 NH1 ARG A 26 10.866 4.959 -3.336 1.00 0.00 N ATOM 417 NH2 ARG A 26 12.089 6.099 -4.914 1.00 0.00 N ATOM 0 H ARG A 26 6.231 4.583 -5.170 1.00 0.00 H new ATOM 0 HA ARG A 26 6.488 3.745 -7.911 1.00 0.00 H new ATOM 0 HB2 ARG A 26 7.108 2.340 -5.318 1.00 0.00 H new ATOM 0 HB3 ARG A 26 7.329 1.608 -6.894 1.00 0.00 H new ATOM 0 HG2 ARG A 26 9.454 2.357 -6.347 1.00 0.00 H new ATOM 0 HG3 ARG A 26 8.860 3.602 -7.428 1.00 0.00 H new ATOM 0 HD2 ARG A 26 8.172 4.935 -5.399 1.00 0.00 H new ATOM 0 HD3 ARG A 26 8.955 3.727 -4.401 1.00 0.00 H new ATOM 0 HE ARG A 26 10.576 4.995 -6.537 1.00 0.00 H new ATOM 0 HH11 ARG A 26 10.115 4.310 -3.101 1.00 0.00 H new ATOM 0 HH12 ARG A 26 11.476 5.320 -2.603 1.00 0.00 H new ATOM 0 HH21 ARG A 26 12.278 6.327 -5.890 1.00 0.00 H new ATOM 0 HH22 ARG A 26 12.698 6.458 -4.179 1.00 0.00 H new ATOM 431 N GLU A 27 4.242 2.501 -5.912 1.00 0.00 N ATOM 432 CA GLU A 27 3.044 1.695 -5.834 1.00 0.00 C ATOM 433 C GLU A 27 1.843 2.306 -6.506 1.00 0.00 C ATOM 434 O GLU A 27 0.784 1.731 -6.435 1.00 0.00 O ATOM 435 CB GLU A 27 2.720 1.326 -4.424 1.00 0.00 C ATOM 436 CG GLU A 27 3.392 0.104 -3.932 1.00 0.00 C ATOM 437 CD GLU A 27 3.303 -0.011 -2.440 1.00 0.00 C ATOM 438 OE1 GLU A 27 2.229 -0.377 -1.925 1.00 0.00 O ATOM 439 OE2 GLU A 27 4.319 0.310 -1.768 1.00 0.00 O ATOM 0 H GLU A 27 4.480 2.986 -5.047 1.00 0.00 H new ATOM 0 HA GLU A 27 3.279 0.791 -6.395 1.00 0.00 H new ATOM 0 HB2 GLU A 27 2.990 2.159 -3.774 1.00 0.00 H new ATOM 0 HB3 GLU A 27 1.642 1.191 -4.337 1.00 0.00 H new ATOM 0 HG2 GLU A 27 2.937 -0.773 -4.393 1.00 0.00 H new ATOM 0 HG3 GLU A 27 4.439 0.117 -4.235 1.00 0.00 H new ATOM 446 N CYS A 28 1.983 3.478 -7.112 1.00 0.00 N ATOM 447 CA CYS A 28 0.857 4.059 -7.860 1.00 0.00 C ATOM 448 C CYS A 28 0.377 3.075 -8.949 1.00 0.00 C ATOM 449 O CYS A 28 -0.823 2.884 -9.147 1.00 0.00 O ATOM 450 CB CYS A 28 1.225 5.392 -8.508 1.00 0.00 C ATOM 451 SG CYS A 28 -0.129 6.159 -9.430 1.00 0.00 S ATOM 0 H CYS A 28 2.836 4.038 -7.107 1.00 0.00 H new ATOM 0 HA CYS A 28 0.056 4.242 -7.144 1.00 0.00 H new ATOM 0 HB2 CYS A 28 1.560 6.081 -7.733 1.00 0.00 H new ATOM 0 HB3 CYS A 28 2.068 5.237 -9.182 1.00 0.00 H new ATOM 0 HG CYS A 28 0.203 7.372 -9.761 1.00 0.00 H new ATOM 457 N ALA A 29 1.328 2.434 -9.627 1.00 0.00 N ATOM 458 CA ALA A 29 1.006 1.451 -10.637 1.00 0.00 C ATOM 459 C ALA A 29 0.376 0.247 -9.993 1.00 0.00 C ATOM 460 O ALA A 29 -0.613 -0.302 -10.493 1.00 0.00 O ATOM 461 CB ALA A 29 2.229 1.082 -11.455 1.00 0.00 C ATOM 0 H ALA A 29 2.327 2.585 -9.488 1.00 0.00 H new ATOM 0 HA ALA A 29 0.285 1.881 -11.332 1.00 0.00 H new ATOM 0 HB1 ALA A 29 1.955 0.341 -12.206 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.618 1.972 -11.949 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.994 0.667 -10.799 1.00 0.00 H new ATOM 467 N ALA A 30 0.908 -0.121 -8.853 1.00 0.00 N ATOM 468 CA ALA A 30 0.408 -1.225 -8.097 1.00 0.00 C ATOM 469 C ALA A 30 -1.003 -0.994 -7.668 1.00 0.00 C ATOM 470 O ALA A 30 -1.852 -1.779 -7.997 1.00 0.00 O ATOM 471 CB ALA A 30 1.258 -1.469 -6.875 1.00 0.00 C ATOM 0 H ALA A 30 1.708 0.347 -8.427 1.00 0.00 H new ATOM 0 HA ALA A 30 0.444 -2.100 -8.746 1.00 0.00 H new ATOM 0 HB1 ALA A 30 0.857 -2.314 -6.316 1.00 0.00 H new ATOM 0 HB2 ALA A 30 2.281 -1.689 -7.181 1.00 0.00 H new ATOM 0 HB3 ALA A 30 1.251 -0.580 -6.244 1.00 0.00 H new ATOM 477 N MET A 31 -1.243 0.151 -7.007 1.00 0.00 N ATOM 478 CA MET A 31 -2.552 0.512 -6.424 1.00 0.00 C ATOM 479 C MET A 31 -3.710 0.306 -7.372 1.00 0.00 C ATOM 480 O MET A 31 -4.761 -0.148 -6.962 1.00 0.00 O ATOM 481 CB MET A 31 -2.609 1.951 -5.851 1.00 0.00 C ATOM 482 CG MET A 31 -2.863 3.056 -6.871 1.00 0.00 C ATOM 483 SD MET A 31 -3.391 4.603 -6.119 1.00 0.00 S ATOM 484 CE MET A 31 -4.870 4.072 -5.259 1.00 0.00 C ATOM 0 H MET A 31 -0.527 0.862 -6.859 1.00 0.00 H new ATOM 0 HA MET A 31 -2.657 -0.186 -5.593 1.00 0.00 H new ATOM 0 HB2 MET A 31 -3.393 1.991 -5.095 1.00 0.00 H new ATOM 0 HB3 MET A 31 -1.667 2.159 -5.344 1.00 0.00 H new ATOM 0 HG2 MET A 31 -1.952 3.230 -7.444 1.00 0.00 H new ATOM 0 HG3 MET A 31 -3.625 2.723 -7.576 1.00 0.00 H new ATOM 0 HE1 MET A 31 -5.455 4.945 -4.969 1.00 0.00 H new ATOM 0 HE2 MET A 31 -5.465 3.438 -5.916 1.00 0.00 H new ATOM 0 HE3 MET A 31 -4.591 3.510 -4.368 1.00 0.00 H new ATOM 494 N ILE A 32 -3.486 0.571 -8.634 1.00 0.00 N ATOM 495 CA ILE A 32 -4.527 0.465 -9.621 1.00 0.00 C ATOM 496 C ILE A 32 -5.029 -0.978 -9.726 1.00 0.00 C ATOM 497 O ILE A 32 -6.223 -1.252 -9.612 1.00 0.00 O ATOM 498 CB ILE A 32 -4.020 0.990 -10.992 1.00 0.00 C ATOM 499 CG1 ILE A 32 -3.660 2.488 -10.911 1.00 0.00 C ATOM 500 CG2 ILE A 32 -5.027 0.741 -12.108 1.00 0.00 C ATOM 501 CD1 ILE A 32 -4.811 3.403 -10.519 1.00 0.00 C ATOM 0 H ILE A 32 -2.582 0.865 -9.004 1.00 0.00 H new ATOM 0 HA ILE A 32 -5.369 1.084 -9.312 1.00 0.00 H new ATOM 0 HB ILE A 32 -3.118 0.428 -11.235 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -2.853 2.614 -10.190 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -3.275 2.807 -11.879 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -4.630 1.124 -13.048 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -5.210 -0.330 -12.201 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -5.962 1.250 -11.874 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -4.461 4.435 -10.489 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -5.613 3.313 -11.252 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -5.184 3.117 -9.536 1.00 0.00 H new ATOM 513 N GLU A 33 -4.119 -1.886 -9.847 1.00 0.00 N ATOM 514 CA GLU A 33 -4.462 -3.274 -10.002 1.00 0.00 C ATOM 515 C GLU A 33 -4.584 -3.944 -8.616 1.00 0.00 C ATOM 516 O GLU A 33 -5.202 -4.992 -8.455 1.00 0.00 O ATOM 517 CB GLU A 33 -3.418 -3.920 -10.896 1.00 0.00 C ATOM 518 CG GLU A 33 -3.255 -3.165 -12.210 1.00 0.00 C ATOM 519 CD GLU A 33 -2.171 -3.707 -13.081 1.00 0.00 C ATOM 520 OE1 GLU A 33 -2.386 -4.712 -13.771 1.00 0.00 O ATOM 521 OE2 GLU A 33 -1.083 -3.107 -13.124 1.00 0.00 O ATOM 0 H GLU A 33 -3.117 -1.695 -9.842 1.00 0.00 H new ATOM 0 HA GLU A 33 -5.434 -3.396 -10.480 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -2.462 -3.952 -10.374 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -3.704 -4.952 -11.102 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -4.198 -3.196 -12.756 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -3.046 -2.117 -11.994 1.00 0.00 H new ATOM 528 N LYS A 34 -4.036 -3.271 -7.623 1.00 0.00 N ATOM 529 CA LYS A 34 -4.066 -3.676 -6.224 1.00 0.00 C ATOM 530 C LYS A 34 -5.497 -3.520 -5.740 1.00 0.00 C ATOM 531 O LYS A 34 -5.951 -4.215 -4.840 1.00 0.00 O ATOM 532 CB LYS A 34 -3.124 -2.721 -5.456 1.00 0.00 C ATOM 533 CG LYS A 34 -2.254 -3.338 -4.389 1.00 0.00 C ATOM 534 CD LYS A 34 -1.062 -2.410 -4.000 1.00 0.00 C ATOM 535 CE LYS A 34 -1.469 -1.144 -3.203 1.00 0.00 C ATOM 536 NZ LYS A 34 -0.307 -0.222 -2.923 1.00 0.00 N ATOM 0 H LYS A 34 -3.538 -2.393 -7.770 1.00 0.00 H new ATOM 0 HA LYS A 34 -3.744 -4.707 -6.075 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -2.476 -2.228 -6.180 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -3.732 -1.944 -4.992 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -2.856 -3.545 -3.504 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -1.869 -4.294 -4.743 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -0.349 -2.984 -3.408 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -0.546 -2.102 -4.909 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -2.231 -0.600 -3.761 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -1.921 -1.446 -2.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -0.649 0.629 -2.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 0.388 -0.711 -2.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 0.142 0.052 -3.820 1.00 0.00 H new ATOM 550 N LYS A 35 -6.199 -2.589 -6.370 1.00 0.00 N ATOM 551 CA LYS A 35 -7.577 -2.348 -6.073 1.00 0.00 C ATOM 552 C LYS A 35 -8.479 -3.299 -6.900 1.00 0.00 C ATOM 553 O LYS A 35 -9.649 -3.492 -6.583 1.00 0.00 O ATOM 554 CB LYS A 35 -7.922 -0.836 -6.269 1.00 0.00 C ATOM 555 CG LYS A 35 -9.334 -0.419 -5.828 1.00 0.00 C ATOM 556 CD LYS A 35 -10.366 -0.595 -6.933 1.00 0.00 C ATOM 557 CE LYS A 35 -11.780 -0.579 -6.385 1.00 0.00 C ATOM 558 NZ LYS A 35 -12.087 -1.799 -5.586 1.00 0.00 N ATOM 0 H LYS A 35 -5.816 -1.987 -7.099 1.00 0.00 H new ATOM 0 HA LYS A 35 -7.772 -2.572 -5.024 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -7.196 -0.241 -5.715 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -7.801 -0.587 -7.323 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -9.630 -1.010 -4.962 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -9.319 0.624 -5.512 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -10.251 0.201 -7.669 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -10.187 -1.537 -7.452 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -11.917 0.305 -5.762 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -12.487 -0.500 -7.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -12.865 -2.322 -6.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -11.243 -2.405 -5.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -12.367 -1.522 -4.624 1.00 0.00 H new ATOM 572 N ALA A 36 -7.919 -3.921 -7.933 1.00 0.00 N ATOM 573 CA ALA A 36 -8.688 -4.850 -8.761 1.00 0.00 C ATOM 574 C ALA A 36 -9.002 -6.106 -7.962 1.00 0.00 C ATOM 575 O ALA A 36 -10.153 -6.555 -7.900 1.00 0.00 O ATOM 576 CB ALA A 36 -7.946 -5.191 -10.047 1.00 0.00 C ATOM 0 H ALA A 36 -6.946 -3.802 -8.216 1.00 0.00 H new ATOM 0 HA ALA A 36 -9.623 -4.369 -9.048 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -8.544 -5.883 -10.640 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -7.772 -4.280 -10.619 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -6.990 -5.654 -9.803 1.00 0.00 H new ATOM 582 N ARG A 37 -7.984 -6.654 -7.339 1.00 0.00 N ATOM 583 CA ARG A 37 -8.136 -7.815 -6.488 1.00 0.00 C ATOM 584 C ARG A 37 -6.926 -7.931 -5.606 1.00 0.00 C ATOM 585 O ARG A 37 -6.983 -7.631 -4.438 1.00 0.00 O ATOM 586 CB ARG A 37 -8.299 -9.107 -7.283 1.00 0.00 C ATOM 587 CG ARG A 37 -8.703 -10.305 -6.434 1.00 0.00 C ATOM 588 CD ARG A 37 -8.556 -11.613 -7.197 1.00 0.00 C ATOM 589 NE ARG A 37 -9.194 -11.575 -8.520 1.00 0.00 N ATOM 590 CZ ARG A 37 -10.182 -12.381 -8.916 1.00 0.00 C ATOM 591 NH1 ARG A 37 -10.776 -13.196 -8.050 1.00 0.00 N ATOM 592 NH2 ARG A 37 -10.588 -12.354 -10.177 1.00 0.00 N ATOM 0 H ARG A 37 -7.027 -6.309 -7.407 1.00 0.00 H new ATOM 0 HA ARG A 37 -9.043 -7.677 -5.899 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -9.050 -8.953 -8.058 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -7.360 -9.332 -7.789 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -8.088 -10.337 -5.535 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -9.737 -10.188 -6.109 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -7.497 -11.842 -7.316 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -8.993 -12.421 -6.611 1.00 0.00 H new ATOM 0 HE ARG A 37 -8.857 -10.880 -9.186 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -10.478 -13.209 -7.075 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -11.530 -13.809 -8.361 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -10.146 -11.719 -10.842 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -11.343 -12.968 -10.483 1.00 0.00 H new ATOM 606 N ARG A 38 -5.825 -8.336 -6.192 1.00 0.00 N ATOM 607 CA ARG A 38 -4.593 -8.492 -5.478 1.00 0.00 C ATOM 608 C ARG A 38 -3.450 -8.476 -6.464 1.00 0.00 C ATOM 609 O ARG A 38 -3.400 -9.300 -7.382 1.00 0.00 O ATOM 610 CB ARG A 38 -4.572 -9.793 -4.648 1.00 0.00 C ATOM 611 CG ARG A 38 -4.740 -11.074 -5.432 1.00 0.00 C ATOM 612 CD ARG A 38 -4.537 -12.269 -4.547 1.00 0.00 C ATOM 613 NE ARG A 38 -5.469 -12.289 -3.411 1.00 0.00 N ATOM 614 CZ ARG A 38 -5.580 -13.278 -2.515 1.00 0.00 C ATOM 615 NH1 ARG A 38 -4.891 -14.413 -2.669 1.00 0.00 N ATOM 616 NH2 ARG A 38 -6.403 -13.132 -1.481 1.00 0.00 N ATOM 0 H ARG A 38 -5.764 -8.566 -7.184 1.00 0.00 H new ATOM 0 HA ARG A 38 -4.491 -7.664 -4.776 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -3.627 -9.841 -4.107 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -5.365 -9.739 -3.902 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -5.736 -11.108 -5.874 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -4.025 -11.099 -6.255 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -4.664 -13.178 -5.134 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -3.513 -12.272 -4.174 1.00 0.00 H new ATOM 0 HE ARG A 38 -6.082 -11.482 -3.295 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -4.275 -14.531 -3.474 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -4.981 -15.162 -1.982 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -6.942 -12.273 -1.376 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -6.495 -13.879 -0.793 1.00 0.00 H new ATOM 630 N VAL A 39 -2.570 -7.533 -6.320 1.00 0.00 N ATOM 631 CA VAL A 39 -1.453 -7.407 -7.227 1.00 0.00 C ATOM 632 C VAL A 39 -0.190 -7.135 -6.474 1.00 0.00 C ATOM 633 O VAL A 39 -0.220 -6.492 -5.416 1.00 0.00 O ATOM 634 CB VAL A 39 -1.727 -6.310 -8.301 1.00 0.00 C ATOM 635 CG1 VAL A 39 -0.473 -5.889 -9.075 1.00 0.00 C ATOM 636 CG2 VAL A 39 -2.748 -6.826 -9.283 1.00 0.00 C ATOM 0 H VAL A 39 -2.598 -6.831 -5.580 1.00 0.00 H new ATOM 0 HA VAL A 39 -1.329 -8.354 -7.752 1.00 0.00 H new ATOM 0 HB VAL A 39 -2.088 -5.431 -7.768 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -0.736 -5.124 -9.805 1.00 0.00 H new ATOM 0 HG12 VAL A 39 0.266 -5.489 -8.381 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -0.056 -6.754 -9.590 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -2.945 -6.064 -10.037 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.366 -7.725 -9.766 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -3.673 -7.062 -8.756 1.00 0.00 H new ATOM 646 N VAL A 40 0.897 -7.646 -7.008 1.00 0.00 N ATOM 647 CA VAL A 40 2.206 -7.464 -6.445 1.00 0.00 C ATOM 648 C VAL A 40 2.985 -6.482 -7.314 1.00 0.00 C ATOM 649 O VAL A 40 2.798 -6.450 -8.540 1.00 0.00 O ATOM 650 CB VAL A 40 2.994 -8.814 -6.291 1.00 0.00 C ATOM 651 CG1 VAL A 40 3.216 -9.489 -7.634 1.00 0.00 C ATOM 652 CG2 VAL A 40 4.331 -8.608 -5.579 1.00 0.00 C ATOM 0 H VAL A 40 0.891 -8.208 -7.859 1.00 0.00 H new ATOM 0 HA VAL A 40 2.088 -7.065 -5.438 1.00 0.00 H new ATOM 0 HB VAL A 40 2.376 -9.469 -5.676 1.00 0.00 H new ATOM 0 HG11 VAL A 40 3.764 -10.420 -7.487 1.00 0.00 H new ATOM 0 HG12 VAL A 40 2.253 -9.704 -8.097 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.791 -8.828 -8.283 1.00 0.00 H new ATOM 0 HG21 VAL A 40 4.847 -9.564 -5.491 1.00 0.00 H new ATOM 0 HG22 VAL A 40 4.946 -7.915 -6.153 1.00 0.00 H new ATOM 0 HG23 VAL A 40 4.154 -8.198 -4.585 1.00 0.00 H new ATOM 662 N HIS A 41 3.826 -5.678 -6.713 1.00 0.00 N ATOM 663 CA HIS A 41 4.588 -4.734 -7.467 1.00 0.00 C ATOM 664 C HIS A 41 6.017 -4.835 -7.025 1.00 0.00 C ATOM 665 O HIS A 41 6.292 -4.808 -5.810 1.00 0.00 O ATOM 666 CB HIS A 41 4.075 -3.322 -7.188 1.00 0.00 C ATOM 667 CG HIS A 41 4.332 -2.310 -8.283 1.00 0.00 C ATOM 668 ND1 HIS A 41 5.359 -1.379 -8.292 1.00 0.00 N ATOM 669 CD2 HIS A 41 3.614 -2.063 -9.406 1.00 0.00 C ATOM 670 CE1 HIS A 41 5.218 -0.635 -9.390 1.00 0.00 C ATOM 671 NE2 HIS A 41 4.183 -1.015 -10.088 1.00 0.00 N ATOM 0 H HIS A 41 3.995 -5.663 -5.707 1.00 0.00 H new ATOM 0 HA HIS A 41 4.499 -4.942 -8.533 1.00 0.00 H new ATOM 0 HB2 HIS A 41 3.001 -3.373 -7.008 1.00 0.00 H new ATOM 0 HB3 HIS A 41 4.535 -2.962 -6.268 1.00 0.00 H new ATOM 0 HD1 HIS A 41 6.090 -1.281 -7.587 1.00 0.00 H new ATOM 0 HD2 HIS A 41 2.733 -2.605 -9.716 1.00 0.00 H new ATOM 0 HE1 HIS A 41 5.875 0.177 -9.666 1.00 0.00 H new ATOM 679 N ILE A 42 6.909 -5.014 -7.965 1.00 0.00 N ATOM 680 CA ILE A 42 8.311 -5.053 -7.650 1.00 0.00 C ATOM 681 C ILE A 42 8.746 -3.597 -7.559 1.00 0.00 C ATOM 682 O ILE A 42 8.317 -2.774 -8.389 1.00 0.00 O ATOM 683 CB ILE A 42 9.155 -5.856 -8.701 1.00 0.00 C ATOM 684 CG1 ILE A 42 10.641 -5.903 -8.293 1.00 0.00 C ATOM 685 CG2 ILE A 42 8.991 -5.288 -10.113 1.00 0.00 C ATOM 686 CD1 ILE A 42 11.523 -6.725 -9.218 1.00 0.00 C ATOM 0 H ILE A 42 6.688 -5.135 -8.954 1.00 0.00 H new ATOM 0 HA ILE A 42 8.482 -5.585 -6.714 1.00 0.00 H new ATOM 0 HB ILE A 42 8.773 -6.877 -8.715 1.00 0.00 H new ATOM 0 HG12 ILE A 42 11.027 -4.884 -8.255 1.00 0.00 H new ATOM 0 HG13 ILE A 42 10.715 -6.310 -7.285 1.00 0.00 H new ATOM 0 HG21 ILE A 42 9.591 -5.871 -10.812 1.00 0.00 H new ATOM 0 HG22 ILE A 42 7.942 -5.338 -10.406 1.00 0.00 H new ATOM 0 HG23 ILE A 42 9.323 -4.250 -10.128 1.00 0.00 H new ATOM 0 HD11 ILE A 42 12.551 -6.703 -8.856 1.00 0.00 H new ATOM 0 HD12 ILE A 42 11.168 -7.755 -9.239 1.00 0.00 H new ATOM 0 HD13 ILE A 42 11.484 -6.307 -10.224 1.00 0.00 H new ATOM 698 N LYS A 43 9.535 -3.266 -6.543 1.00 0.00 N ATOM 699 CA LYS A 43 9.938 -1.880 -6.285 1.00 0.00 C ATOM 700 C LYS A 43 8.700 -1.053 -5.960 1.00 0.00 C ATOM 701 O LYS A 43 8.228 -0.267 -6.779 1.00 0.00 O ATOM 702 CB LYS A 43 10.763 -1.204 -7.408 1.00 0.00 C ATOM 703 CG LYS A 43 12.202 -1.649 -7.512 1.00 0.00 C ATOM 704 CD LYS A 43 12.953 -0.831 -8.548 1.00 0.00 C ATOM 705 CE LYS A 43 14.433 -1.168 -8.550 1.00 0.00 C ATOM 706 NZ LYS A 43 15.185 -0.355 -9.527 1.00 0.00 N ATOM 0 H LYS A 43 9.913 -3.941 -5.878 1.00 0.00 H new ATOM 0 HA LYS A 43 10.622 -1.922 -5.437 1.00 0.00 H new ATOM 0 HB2 LYS A 43 10.271 -1.395 -8.362 1.00 0.00 H new ATOM 0 HB3 LYS A 43 10.744 -0.126 -7.250 1.00 0.00 H new ATOM 0 HG2 LYS A 43 12.688 -1.548 -6.542 1.00 0.00 H new ATOM 0 HG3 LYS A 43 12.241 -2.705 -7.780 1.00 0.00 H new ATOM 0 HD2 LYS A 43 12.534 -1.019 -9.536 1.00 0.00 H new ATOM 0 HD3 LYS A 43 12.820 0.231 -8.342 1.00 0.00 H new ATOM 0 HE2 LYS A 43 14.843 -1.007 -7.553 1.00 0.00 H new ATOM 0 HE3 LYS A 43 14.564 -2.225 -8.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 16.191 -0.617 -9.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 14.812 -0.527 -10.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 15.082 0.653 -9.292 1.00 0.00 H new ATOM 720 N PRO A 44 8.064 -1.347 -4.819 1.00 0.00 N ATOM 721 CA PRO A 44 6.914 -0.639 -4.368 1.00 0.00 C ATOM 722 C PRO A 44 7.289 0.464 -3.380 1.00 0.00 C ATOM 723 O PRO A 44 8.257 0.333 -2.616 1.00 0.00 O ATOM 724 CB PRO A 44 6.108 -1.740 -3.695 1.00 0.00 C ATOM 725 CG PRO A 44 7.115 -2.706 -3.171 1.00 0.00 C ATOM 726 CD PRO A 44 8.387 -2.451 -3.905 1.00 0.00 C ATOM 0 HA PRO A 44 6.375 -0.125 -5.164 1.00 0.00 H new ATOM 0 HB2 PRO A 44 5.492 -1.339 -2.890 1.00 0.00 H new ATOM 0 HB3 PRO A 44 5.433 -2.221 -4.403 1.00 0.00 H new ATOM 0 HG2 PRO A 44 7.255 -2.573 -2.098 1.00 0.00 H new ATOM 0 HG3 PRO A 44 6.781 -3.732 -3.324 1.00 0.00 H new ATOM 0 HD2 PRO A 44 9.192 -2.180 -3.223 1.00 0.00 H new ATOM 0 HD3 PRO A 44 8.716 -3.336 -4.450 1.00 0.00 H new ATOM 734 N GLY A 45 6.534 1.527 -3.372 1.00 0.00 N ATOM 735 CA GLY A 45 6.856 2.618 -2.515 1.00 0.00 C ATOM 736 C GLY A 45 5.705 3.541 -2.298 1.00 0.00 C ATOM 737 O GLY A 45 5.695 4.659 -2.826 1.00 0.00 O ATOM 0 H GLY A 45 5.700 1.655 -3.946 1.00 0.00 H new ATOM 0 HA2 GLY A 45 7.192 2.231 -1.553 1.00 0.00 H new ATOM 0 HA3 GLY A 45 7.688 3.177 -2.943 1.00 0.00 H new ATOM 741 N GLU A 46 4.694 3.036 -1.669 1.00 0.00 N ATOM 742 CA GLU A 46 3.562 3.817 -1.300 1.00 0.00 C ATOM 743 C GLU A 46 3.449 3.926 0.204 1.00 0.00 C ATOM 744 O GLU A 46 3.198 2.946 0.918 1.00 0.00 O ATOM 745 CB GLU A 46 2.288 3.322 -1.959 1.00 0.00 C ATOM 746 CG GLU A 46 1.017 3.912 -1.437 1.00 0.00 C ATOM 747 CD GLU A 46 -0.184 3.549 -2.274 1.00 0.00 C ATOM 748 OE1 GLU A 46 -0.519 2.343 -2.399 1.00 0.00 O ATOM 749 OE2 GLU A 46 -0.833 4.472 -2.783 1.00 0.00 O ATOM 0 H GLU A 46 4.632 2.056 -1.394 1.00 0.00 H new ATOM 0 HA GLU A 46 3.712 4.828 -1.679 1.00 0.00 H new ATOM 0 HB2 GLU A 46 2.350 3.527 -3.028 1.00 0.00 H new ATOM 0 HB3 GLU A 46 2.238 2.239 -1.844 1.00 0.00 H new ATOM 0 HG2 GLU A 46 0.857 3.571 -0.414 1.00 0.00 H new ATOM 0 HG3 GLU A 46 1.114 4.997 -1.400 1.00 0.00 H new ATOM 756 N LYS A 47 3.664 5.124 0.668 1.00 0.00 N ATOM 757 CA LYS A 47 3.590 5.465 2.036 1.00 0.00 C ATOM 758 C LYS A 47 2.247 5.970 2.285 1.00 0.00 C ATOM 759 O LYS A 47 1.944 7.152 2.185 1.00 0.00 O ATOM 760 CB LYS A 47 4.607 6.484 2.374 1.00 0.00 C ATOM 761 CG LYS A 47 5.983 5.971 2.172 1.00 0.00 C ATOM 762 CD LYS A 47 6.967 7.059 2.062 1.00 0.00 C ATOM 763 CE LYS A 47 6.726 7.947 0.845 1.00 0.00 C ATOM 764 NZ LYS A 47 7.759 8.985 0.718 1.00 0.00 N ATOM 0 H LYS A 47 3.905 5.913 0.068 1.00 0.00 H new ATOM 0 HA LYS A 47 3.790 4.594 2.660 1.00 0.00 H new ATOM 0 HB2 LYS A 47 4.454 7.370 1.757 1.00 0.00 H new ATOM 0 HB3 LYS A 47 4.482 6.793 3.412 1.00 0.00 H new ATOM 0 HG2 LYS A 47 6.253 5.321 3.004 1.00 0.00 H new ATOM 0 HG3 LYS A 47 6.014 5.362 1.269 1.00 0.00 H new ATOM 0 HD2 LYS A 47 6.931 7.669 2.965 1.00 0.00 H new ATOM 0 HD3 LYS A 47 7.969 6.633 2.004 1.00 0.00 H new ATOM 0 HE2 LYS A 47 6.713 7.334 -0.056 1.00 0.00 H new ATOM 0 HE3 LYS A 47 5.746 8.417 0.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 7.417 9.740 0.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 7.968 9.383 1.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 8.624 8.567 0.319 1.00 0.00 H new ATOM 778 N ILE A 48 1.439 5.067 2.453 1.00 0.00 N ATOM 779 CA ILE A 48 0.074 5.313 2.714 1.00 0.00 C ATOM 780 C ILE A 48 -0.152 5.412 4.167 1.00 0.00 C ATOM 781 O ILE A 48 -0.064 4.412 4.869 1.00 0.00 O ATOM 782 CB ILE A 48 -0.880 4.253 2.124 1.00 0.00 C ATOM 783 CG1 ILE A 48 -0.307 2.815 2.184 1.00 0.00 C ATOM 784 CG2 ILE A 48 -1.408 4.642 0.772 1.00 0.00 C ATOM 785 CD1 ILE A 48 -1.249 1.742 1.670 1.00 0.00 C ATOM 0 H ILE A 48 1.684 4.077 2.418 1.00 0.00 H new ATOM 0 HA ILE A 48 -0.158 6.255 2.217 1.00 0.00 H new ATOM 0 HB ILE A 48 -1.751 4.229 2.779 1.00 0.00 H new ATOM 0 HG12 ILE A 48 0.615 2.780 1.604 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -0.043 2.585 3.216 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -2.074 3.862 0.403 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -1.958 5.580 0.852 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -0.576 4.767 0.079 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -0.768 0.767 1.749 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -2.163 1.745 2.265 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -1.494 1.942 0.627 1.00 0.00 H new ATOM 797 N LEU A 49 -0.332 6.651 4.646 1.00 0.00 N ATOM 798 CA LEU A 49 -0.652 6.964 6.058 1.00 0.00 C ATOM 799 C LEU A 49 0.496 6.639 7.021 1.00 0.00 C ATOM 800 O LEU A 49 0.502 7.082 8.158 1.00 0.00 O ATOM 801 CB LEU A 49 -1.871 6.142 6.554 1.00 0.00 C ATOM 802 CG LEU A 49 -3.271 6.297 5.927 1.00 0.00 C ATOM 803 CD1 LEU A 49 -3.303 6.050 4.441 1.00 0.00 C ATOM 804 CD2 LEU A 49 -4.182 5.315 6.599 1.00 0.00 C ATOM 0 H LEU A 49 -0.260 7.482 4.059 1.00 0.00 H new ATOM 0 HA LEU A 49 -0.853 8.035 6.064 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -1.600 5.090 6.461 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -1.979 6.351 7.618 1.00 0.00 H new ATOM 0 HG LEU A 49 -3.584 7.331 6.074 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.321 6.178 4.073 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -2.644 6.759 3.940 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -2.967 5.034 4.234 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -5.183 5.400 6.177 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -3.806 4.304 6.442 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -4.220 5.526 7.668 1.00 0.00 H new ATOM 816 N GLY A 50 1.442 5.856 6.567 1.00 0.00 N ATOM 817 CA GLY A 50 2.502 5.398 7.417 1.00 0.00 C ATOM 818 C GLY A 50 2.052 4.101 8.103 1.00 0.00 C ATOM 819 O GLY A 50 2.835 3.426 8.786 1.00 0.00 O ATOM 0 H GLY A 50 1.496 5.522 5.605 1.00 0.00 H new ATOM 0 HA2 GLY A 50 3.406 5.224 6.834 1.00 0.00 H new ATOM 0 HA3 GLY A 50 2.744 6.156 8.162 1.00 0.00 H new ATOM 823 N ALA A 51 0.780 3.755 7.877 1.00 0.00 N ATOM 824 CA ALA A 51 0.114 2.601 8.433 1.00 0.00 C ATOM 825 C ALA A 51 -1.037 2.246 7.513 1.00 0.00 C ATOM 826 O ALA A 51 -1.681 3.128 6.981 1.00 0.00 O ATOM 827 CB ALA A 51 -0.425 2.920 9.819 1.00 0.00 C ATOM 0 H ALA A 51 0.170 4.305 7.272 1.00 0.00 H new ATOM 0 HA ALA A 51 0.814 1.770 8.520 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.925 2.041 10.226 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.399 3.205 10.473 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.136 3.743 9.752 1.00 0.00 H new ATOM 833 N ARG A 52 -1.291 0.988 7.317 1.00 0.00 N ATOM 834 CA ARG A 52 -2.369 0.580 6.430 1.00 0.00 C ATOM 835 C ARG A 52 -3.684 0.578 7.190 1.00 0.00 C ATOM 836 O ARG A 52 -3.958 -0.341 7.979 1.00 0.00 O ATOM 837 CB ARG A 52 -2.097 -0.808 5.859 1.00 0.00 C ATOM 838 CG ARG A 52 -0.786 -0.926 5.089 1.00 0.00 C ATOM 839 CD ARG A 52 -0.493 -2.375 4.729 1.00 0.00 C ATOM 840 NE ARG A 52 -0.444 -3.210 5.933 1.00 0.00 N ATOM 841 CZ ARG A 52 0.207 -4.392 6.051 1.00 0.00 C ATOM 842 NH1 ARG A 52 0.899 -4.896 5.034 1.00 0.00 N ATOM 843 NH2 ARG A 52 0.169 -5.057 7.199 1.00 0.00 N ATOM 0 H ARG A 52 -0.777 0.221 7.750 1.00 0.00 H new ATOM 0 HA ARG A 52 -2.429 1.288 5.604 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -2.090 -1.529 6.676 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -2.919 -1.083 5.198 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -0.838 -0.325 4.181 1.00 0.00 H new ATOM 0 HG3 ARG A 52 0.030 -0.525 5.690 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -1.261 -2.749 4.052 1.00 0.00 H new ATOM 0 HD3 ARG A 52 0.457 -2.438 4.198 1.00 0.00 H new ATOM 0 HE ARG A 52 -0.944 -2.871 6.755 1.00 0.00 H new ATOM 0 HH11 ARG A 52 0.945 -4.391 4.149 1.00 0.00 H new ATOM 0 HH12 ARG A 52 1.384 -5.787 5.139 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -0.350 -4.678 7.991 1.00 0.00 H new ATOM 0 HH22 ARG A 52 0.659 -5.947 7.289 1.00 0.00 H new ATOM 857 N ILE A 53 -4.473 1.605 6.992 1.00 0.00 N ATOM 858 CA ILE A 53 -5.740 1.732 7.654 1.00 0.00 C ATOM 859 C ILE A 53 -6.767 1.922 6.580 1.00 0.00 C ATOM 860 O ILE A 53 -6.816 2.955 5.973 1.00 0.00 O ATOM 861 CB ILE A 53 -5.787 2.958 8.619 1.00 0.00 C ATOM 862 CG1 ILE A 53 -4.614 2.913 9.617 1.00 0.00 C ATOM 863 CG2 ILE A 53 -7.122 2.981 9.374 1.00 0.00 C ATOM 864 CD1 ILE A 53 -4.517 4.129 10.520 1.00 0.00 C ATOM 0 H ILE A 53 -4.250 2.377 6.364 1.00 0.00 H new ATOM 0 HA ILE A 53 -5.920 0.843 8.258 1.00 0.00 H new ATOM 0 HB ILE A 53 -5.697 3.868 8.025 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -4.713 2.022 10.236 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -3.682 2.813 9.061 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -7.146 3.840 10.045 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -7.942 3.055 8.660 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -7.228 2.064 9.954 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -3.665 4.017 11.191 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -4.385 5.024 9.912 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -5.431 4.221 11.106 1.00 0.00 H new ATOM 876 N ILE A 54 -7.552 0.911 6.344 1.00 0.00 N ATOM 877 CA ILE A 54 -8.561 0.920 5.305 1.00 0.00 C ATOM 878 C ILE A 54 -9.684 1.863 5.717 1.00 0.00 C ATOM 879 O ILE A 54 -10.283 2.557 4.913 1.00 0.00 O ATOM 880 CB ILE A 54 -9.180 -0.524 5.087 1.00 0.00 C ATOM 881 CG1 ILE A 54 -8.132 -1.594 4.678 1.00 0.00 C ATOM 882 CG2 ILE A 54 -10.301 -0.496 4.063 1.00 0.00 C ATOM 883 CD1 ILE A 54 -7.180 -2.060 5.773 1.00 0.00 C ATOM 0 H ILE A 54 -7.515 0.039 6.872 1.00 0.00 H new ATOM 0 HA ILE A 54 -8.091 1.245 4.377 1.00 0.00 H new ATOM 0 HB ILE A 54 -9.577 -0.815 6.059 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -8.664 -2.464 4.294 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -7.538 -1.195 3.856 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -10.704 -1.501 3.937 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -11.091 0.171 4.407 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -9.914 -0.138 3.109 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -6.496 -2.806 5.368 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -6.609 -1.209 6.145 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -7.752 -2.499 6.590 1.00 0.00 H new ATOM 895 N GLY A 55 -9.956 1.842 6.983 1.00 0.00 N ATOM 896 CA GLY A 55 -11.026 2.623 7.573 1.00 0.00 C ATOM 897 C GLY A 55 -12.265 1.770 7.669 1.00 0.00 C ATOM 898 O GLY A 55 -13.071 1.883 8.599 1.00 0.00 O ATOM 0 H GLY A 55 -9.440 1.277 7.657 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -10.734 2.974 8.563 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -11.224 3.507 6.967 1.00 0.00 H new ATOM 902 N ILE A 56 -12.375 0.890 6.722 1.00 0.00 N ATOM 903 CA ILE A 56 -13.443 -0.055 6.626 1.00 0.00 C ATOM 904 C ILE A 56 -12.955 -1.353 7.257 1.00 0.00 C ATOM 905 O ILE A 56 -11.781 -1.687 7.103 1.00 0.00 O ATOM 906 CB ILE A 56 -13.817 -0.299 5.126 1.00 0.00 C ATOM 907 CG1 ILE A 56 -14.205 1.035 4.474 1.00 0.00 C ATOM 908 CG2 ILE A 56 -14.961 -1.301 5.000 1.00 0.00 C ATOM 909 CD1 ILE A 56 -14.567 0.926 3.019 1.00 0.00 C ATOM 0 H ILE A 56 -11.696 0.808 5.965 1.00 0.00 H new ATOM 0 HA ILE A 56 -14.331 0.317 7.137 1.00 0.00 H new ATOM 0 HB ILE A 56 -12.950 -0.717 4.614 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -15.050 1.460 5.016 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -13.375 1.733 4.579 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -15.199 -1.451 3.947 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -14.663 -2.251 5.443 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -15.839 -0.918 5.520 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -14.828 1.912 2.634 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -13.717 0.532 2.461 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -15.418 0.255 2.905 1.00 0.00 H new ATOM 921 N PRO A 57 -13.786 -2.045 8.052 1.00 0.00 N ATOM 922 CA PRO A 57 -13.414 -3.325 8.649 1.00 0.00 C ATOM 923 C PRO A 57 -13.402 -4.442 7.595 1.00 0.00 C ATOM 924 O PRO A 57 -14.462 -4.828 7.073 1.00 0.00 O ATOM 925 CB PRO A 57 -14.515 -3.587 9.689 1.00 0.00 C ATOM 926 CG PRO A 57 -15.302 -2.324 9.766 1.00 0.00 C ATOM 927 CD PRO A 57 -15.134 -1.638 8.459 1.00 0.00 C ATOM 0 HA PRO A 57 -12.414 -3.303 9.083 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -15.146 -4.424 9.390 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -14.086 -3.841 10.658 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -16.354 -2.534 9.961 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -14.946 -1.695 10.582 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -15.887 -1.953 7.737 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -15.218 -0.556 8.556 1.00 0.00 H new ATOM 935 N PRO A 58 -12.217 -4.937 7.225 1.00 0.00 N ATOM 936 CA PRO A 58 -12.070 -5.975 6.244 1.00 0.00 C ATOM 937 C PRO A 58 -11.765 -7.308 6.899 1.00 0.00 C ATOM 938 O PRO A 58 -11.964 -7.485 8.104 1.00 0.00 O ATOM 939 CB PRO A 58 -10.835 -5.481 5.487 1.00 0.00 C ATOM 940 CG PRO A 58 -9.987 -4.798 6.532 1.00 0.00 C ATOM 941 CD PRO A 58 -10.892 -4.517 7.718 1.00 0.00 C ATOM 0 HA PRO A 58 -12.959 -6.139 5.635 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -10.299 -6.309 5.022 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -11.110 -4.791 4.689 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -9.151 -5.432 6.826 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -9.563 -3.873 6.141 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -10.591 -5.083 8.600 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -10.879 -3.463 7.996 1.00 0.00 H new ATOM 949 N VAL A 59 -11.316 -8.238 6.109 1.00 0.00 N ATOM 950 CA VAL A 59 -10.921 -9.525 6.612 1.00 0.00 C ATOM 951 C VAL A 59 -9.515 -9.385 7.228 1.00 0.00 C ATOM 952 O VAL A 59 -8.560 -9.088 6.524 1.00 0.00 O ATOM 953 CB VAL A 59 -10.929 -10.592 5.490 1.00 0.00 C ATOM 954 CG1 VAL A 59 -10.483 -11.945 6.017 1.00 0.00 C ATOM 955 CG2 VAL A 59 -12.316 -10.704 4.877 1.00 0.00 C ATOM 0 H VAL A 59 -11.213 -8.129 5.100 1.00 0.00 H new ATOM 0 HA VAL A 59 -11.630 -9.859 7.369 1.00 0.00 H new ATOM 0 HB VAL A 59 -10.224 -10.276 4.721 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -10.499 -12.674 5.207 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -9.471 -11.865 6.414 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -11.159 -12.268 6.809 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -12.306 -11.458 4.090 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -13.032 -10.993 5.647 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -12.606 -9.742 4.454 1.00 0.00 H new ATOM 965 N PRO A 60 -9.390 -9.563 8.543 1.00 0.00 N ATOM 966 CA PRO A 60 -8.129 -9.351 9.277 1.00 0.00 C ATOM 967 C PRO A 60 -7.158 -10.547 9.197 1.00 0.00 C ATOM 968 O PRO A 60 -6.612 -10.997 10.217 1.00 0.00 O ATOM 969 CB PRO A 60 -8.629 -9.170 10.708 1.00 0.00 C ATOM 970 CG PRO A 60 -9.819 -10.053 10.791 1.00 0.00 C ATOM 971 CD PRO A 60 -10.477 -9.990 9.448 1.00 0.00 C ATOM 0 HA PRO A 60 -7.553 -8.518 8.874 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -7.869 -9.456 11.435 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -8.889 -8.131 10.911 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -9.530 -11.075 11.036 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -10.499 -9.718 11.574 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -10.884 -10.958 9.156 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -11.305 -9.281 9.441 1.00 0.00 H new ATOM 979 N ILE A 61 -6.914 -11.038 8.008 1.00 0.00 N ATOM 980 CA ILE A 61 -5.984 -12.131 7.830 1.00 0.00 C ATOM 981 C ILE A 61 -4.792 -11.592 7.030 1.00 0.00 C ATOM 982 O ILE A 61 -4.918 -10.551 6.377 1.00 0.00 O ATOM 983 CB ILE A 61 -6.676 -13.341 7.104 1.00 0.00 C ATOM 984 CG1 ILE A 61 -7.904 -13.803 7.914 1.00 0.00 C ATOM 985 CG2 ILE A 61 -5.707 -14.514 6.928 1.00 0.00 C ATOM 986 CD1 ILE A 61 -8.695 -14.930 7.272 1.00 0.00 C ATOM 0 H ILE A 61 -7.345 -10.700 7.147 1.00 0.00 H new ATOM 0 HA ILE A 61 -5.641 -12.509 8.793 1.00 0.00 H new ATOM 0 HB ILE A 61 -6.989 -13.006 6.115 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -7.572 -14.126 8.901 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -8.567 -12.950 8.063 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -6.217 -15.334 6.423 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -4.853 -14.194 6.330 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -5.360 -14.849 7.905 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -9.540 -15.191 7.910 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -9.062 -14.608 6.297 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -8.052 -15.801 7.148 1.00 0.00 H new ATOM 998 N GLY A 62 -3.635 -12.208 7.119 1.00 0.00 N ATOM 999 CA GLY A 62 -2.530 -11.733 6.337 1.00 0.00 C ATOM 1000 C GLY A 62 -1.222 -12.299 6.733 1.00 0.00 C ATOM 1001 O GLY A 62 -1.062 -12.793 7.853 1.00 0.00 O ATOM 0 H GLY A 62 -3.442 -13.017 7.710 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -2.713 -11.968 5.289 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -2.483 -10.647 6.416 1.00 0.00 H new ATOM 1005 N ILE A 63 -0.299 -12.285 5.798 1.00 0.00 N ATOM 1006 CA ILE A 63 1.033 -12.748 6.029 1.00 0.00 C ATOM 1007 C ILE A 63 2.074 -11.703 5.611 1.00 0.00 C ATOM 1008 O ILE A 63 2.447 -11.579 4.433 1.00 0.00 O ATOM 1009 CB ILE A 63 1.345 -14.129 5.368 1.00 0.00 C ATOM 1010 CG1 ILE A 63 1.062 -14.142 3.850 1.00 0.00 C ATOM 1011 CG2 ILE A 63 0.590 -15.244 6.069 1.00 0.00 C ATOM 1012 CD1 ILE A 63 1.467 -15.424 3.147 1.00 0.00 C ATOM 0 H ILE A 63 -0.463 -11.947 4.850 1.00 0.00 H new ATOM 0 HA ILE A 63 1.100 -12.901 7.106 1.00 0.00 H new ATOM 0 HB ILE A 63 2.415 -14.300 5.487 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -0.003 -13.975 3.690 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.588 -13.307 3.388 1.00 0.00 H new ATOM 0 HG21 ILE A 63 0.822 -16.196 5.592 1.00 0.00 H new ATOM 0 HG22 ILE A 63 0.886 -15.281 7.117 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -0.482 -15.056 6.002 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.233 -15.346 2.085 1.00 0.00 H new ATOM 0 HD12 ILE A 63 2.538 -15.585 3.271 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.922 -16.263 3.578 1.00 0.00 H new ATOM 1024 N ASP A 64 2.475 -10.899 6.553 1.00 0.00 N ATOM 1025 CA ASP A 64 3.509 -9.918 6.305 1.00 0.00 C ATOM 1026 C ASP A 64 4.830 -10.606 6.550 1.00 0.00 C ATOM 1027 O ASP A 64 5.250 -10.773 7.701 1.00 0.00 O ATOM 1028 CB ASP A 64 3.381 -8.666 7.206 1.00 0.00 C ATOM 1029 CG ASP A 64 2.229 -7.733 6.853 1.00 0.00 C ATOM 1030 OD1 ASP A 64 2.383 -6.905 5.936 1.00 0.00 O ATOM 1031 OD2 ASP A 64 1.166 -7.766 7.526 1.00 0.00 O ATOM 0 H ASP A 64 2.105 -10.898 7.504 1.00 0.00 H new ATOM 0 HA ASP A 64 3.422 -9.555 5.281 1.00 0.00 H new ATOM 0 HB2 ASP A 64 3.261 -8.991 8.239 1.00 0.00 H new ATOM 0 HB3 ASP A 64 4.313 -8.103 7.155 1.00 0.00 H new ATOM 1036 N GLU A 65 5.439 -11.092 5.491 1.00 0.00 N ATOM 1037 CA GLU A 65 6.676 -11.823 5.609 1.00 0.00 C ATOM 1038 C GLU A 65 7.839 -10.907 5.879 1.00 0.00 C ATOM 1039 O GLU A 65 8.546 -11.049 6.887 1.00 0.00 O ATOM 1040 CB GLU A 65 6.916 -12.634 4.347 1.00 0.00 C ATOM 1041 CG GLU A 65 5.846 -13.673 4.092 1.00 0.00 C ATOM 1042 CD GLU A 65 5.769 -14.693 5.202 1.00 0.00 C ATOM 1043 OE1 GLU A 65 6.526 -15.678 5.160 1.00 0.00 O ATOM 1044 OE2 GLU A 65 4.954 -14.539 6.123 1.00 0.00 O ATOM 0 H GLU A 65 5.094 -10.992 4.536 1.00 0.00 H new ATOM 0 HA GLU A 65 6.591 -12.499 6.460 1.00 0.00 H new ATOM 0 HB2 GLU A 65 6.968 -11.958 3.493 1.00 0.00 H new ATOM 0 HB3 GLU A 65 7.884 -13.130 4.420 1.00 0.00 H new ATOM 0 HG2 GLU A 65 4.880 -13.179 3.986 1.00 0.00 H new ATOM 0 HG3 GLU A 65 6.050 -14.179 3.149 1.00 0.00 H new ATOM 1051 N GLU A 66 8.018 -9.976 4.998 1.00 0.00 N ATOM 1052 CA GLU A 66 9.091 -9.045 5.050 1.00 0.00 C ATOM 1053 C GLU A 66 8.712 -8.001 4.020 1.00 0.00 C ATOM 1054 O GLU A 66 7.773 -8.239 3.248 1.00 0.00 O ATOM 1055 CB GLU A 66 10.389 -9.799 4.691 1.00 0.00 C ATOM 1056 CG GLU A 66 11.663 -9.266 5.315 1.00 0.00 C ATOM 1057 CD GLU A 66 12.209 -8.065 4.647 1.00 0.00 C ATOM 1058 OE1 GLU A 66 11.794 -6.948 4.994 1.00 0.00 O ATOM 1059 OE2 GLU A 66 13.059 -8.227 3.758 1.00 0.00 O ATOM 0 H GLU A 66 7.400 -9.841 4.198 1.00 0.00 H new ATOM 0 HA GLU A 66 9.259 -8.580 6.021 1.00 0.00 H new ATOM 0 HB2 GLU A 66 10.273 -10.842 4.986 1.00 0.00 H new ATOM 0 HB3 GLU A 66 10.506 -9.785 3.607 1.00 0.00 H new ATOM 0 HG2 GLU A 66 11.470 -9.030 6.362 1.00 0.00 H new ATOM 0 HG3 GLU A 66 12.418 -10.052 5.299 1.00 0.00 H new ATOM 1066 N ARG A 67 9.384 -6.897 3.984 1.00 0.00 N ATOM 1067 CA ARG A 67 9.033 -5.846 3.066 1.00 0.00 C ATOM 1068 C ARG A 67 9.725 -6.090 1.746 1.00 0.00 C ATOM 1069 O ARG A 67 9.202 -5.786 0.665 1.00 0.00 O ATOM 1070 CB ARG A 67 9.428 -4.486 3.640 1.00 0.00 C ATOM 1071 CG ARG A 67 8.458 -3.349 3.304 1.00 0.00 C ATOM 1072 CD ARG A 67 8.374 -3.029 1.820 1.00 0.00 C ATOM 1073 NE ARG A 67 7.173 -2.215 1.501 1.00 0.00 N ATOM 1074 CZ ARG A 67 7.034 -1.393 0.441 1.00 0.00 C ATOM 1075 NH1 ARG A 67 8.102 -1.095 -0.309 1.00 0.00 N ATOM 1076 NH2 ARG A 67 5.836 -0.841 0.174 1.00 0.00 N ATOM 0 H ARG A 67 10.185 -6.692 4.581 1.00 0.00 H new ATOM 0 HA ARG A 67 7.954 -5.844 2.909 1.00 0.00 H new ATOM 0 HB2 ARG A 67 9.506 -4.572 4.724 1.00 0.00 H new ATOM 0 HB3 ARG A 67 10.419 -4.223 3.269 1.00 0.00 H new ATOM 0 HG2 ARG A 67 7.464 -3.614 3.665 1.00 0.00 H new ATOM 0 HG3 ARG A 67 8.765 -2.452 3.842 1.00 0.00 H new ATOM 0 HD2 ARG A 67 9.271 -2.491 1.512 1.00 0.00 H new ATOM 0 HD3 ARG A 67 8.347 -3.957 1.249 1.00 0.00 H new ATOM 0 HE ARG A 67 6.382 -2.284 2.141 1.00 0.00 H new ATOM 0 HH11 ARG A 67 9.014 -1.489 -0.077 1.00 0.00 H new ATOM 0 HH12 ARG A 67 8.004 -0.474 -1.112 1.00 0.00 H new ATOM 0 HH21 ARG A 67 5.036 -1.045 0.773 1.00 0.00 H new ATOM 0 HH22 ARG A 67 5.728 -0.219 -0.627 1.00 0.00 H new ATOM 1090 N SER A 68 10.876 -6.654 1.836 1.00 0.00 N ATOM 1091 CA SER A 68 11.663 -6.984 0.693 1.00 0.00 C ATOM 1092 C SER A 68 11.383 -8.426 0.268 1.00 0.00 C ATOM 1093 O SER A 68 12.220 -9.129 -0.285 1.00 0.00 O ATOM 1094 CB SER A 68 13.093 -6.746 1.059 1.00 0.00 C ATOM 1095 OG SER A 68 13.214 -5.438 1.594 1.00 0.00 O ATOM 0 H SER A 68 11.310 -6.906 2.724 1.00 0.00 H new ATOM 0 HA SER A 68 11.414 -6.364 -0.169 1.00 0.00 H new ATOM 0 HB2 SER A 68 13.424 -7.485 1.789 1.00 0.00 H new ATOM 0 HB3 SER A 68 13.731 -6.856 0.182 1.00 0.00 H new ATOM 0 HG SER A 68 13.893 -4.941 1.092 1.00 0.00 H new ATOM 1101 N THR A 69 10.173 -8.815 0.500 1.00 0.00 N ATOM 1102 CA THR A 69 9.644 -10.108 0.188 1.00 0.00 C ATOM 1103 C THR A 69 8.146 -9.882 -0.051 1.00 0.00 C ATOM 1104 O THR A 69 7.653 -8.803 0.258 1.00 0.00 O ATOM 1105 CB THR A 69 9.890 -11.087 1.379 1.00 0.00 C ATOM 1106 OG1 THR A 69 11.286 -11.067 1.716 1.00 0.00 O ATOM 1107 CG2 THR A 69 9.507 -12.523 1.032 1.00 0.00 C ATOM 0 H THR A 69 9.484 -8.204 0.939 1.00 0.00 H new ATOM 0 HA THR A 69 10.120 -10.556 -0.685 1.00 0.00 H new ATOM 0 HB THR A 69 9.269 -10.756 2.212 1.00 0.00 H new ATOM 0 HG1 THR A 69 11.451 -11.678 2.464 1.00 0.00 H new ATOM 0 HG21 THR A 69 9.695 -13.167 1.891 1.00 0.00 H new ATOM 0 HG22 THR A 69 8.449 -12.565 0.772 1.00 0.00 H new ATOM 0 HG23 THR A 69 10.102 -12.864 0.185 1.00 0.00 H new ATOM 1115 N VAL A 70 7.443 -10.848 -0.584 1.00 0.00 N ATOM 1116 CA VAL A 70 6.042 -10.680 -0.883 1.00 0.00 C ATOM 1117 C VAL A 70 5.166 -10.750 0.356 1.00 0.00 C ATOM 1118 O VAL A 70 4.998 -11.813 0.973 1.00 0.00 O ATOM 1119 CB VAL A 70 5.521 -11.666 -1.981 1.00 0.00 C ATOM 1120 CG1 VAL A 70 6.051 -11.275 -3.342 1.00 0.00 C ATOM 1121 CG2 VAL A 70 5.920 -13.110 -1.676 1.00 0.00 C ATOM 0 H VAL A 70 7.820 -11.766 -0.822 1.00 0.00 H new ATOM 0 HA VAL A 70 5.964 -9.672 -1.292 1.00 0.00 H new ATOM 0 HB VAL A 70 4.433 -11.602 -1.982 1.00 0.00 H new ATOM 0 HG11 VAL A 70 5.678 -11.972 -4.092 1.00 0.00 H new ATOM 0 HG12 VAL A 70 5.717 -10.266 -3.586 1.00 0.00 H new ATOM 0 HG13 VAL A 70 7.141 -11.304 -3.330 1.00 0.00 H new ATOM 0 HG21 VAL A 70 5.541 -13.766 -2.460 1.00 0.00 H new ATOM 0 HG22 VAL A 70 7.007 -13.186 -1.633 1.00 0.00 H new ATOM 0 HG23 VAL A 70 5.497 -13.409 -0.717 1.00 0.00 H new ATOM 1131 N MET A 71 4.675 -9.613 0.764 1.00 0.00 N ATOM 1132 CA MET A 71 3.765 -9.572 1.875 1.00 0.00 C ATOM 1133 C MET A 71 2.380 -9.768 1.308 1.00 0.00 C ATOM 1134 O MET A 71 1.983 -9.064 0.378 1.00 0.00 O ATOM 1135 CB MET A 71 3.861 -8.252 2.691 1.00 0.00 C ATOM 1136 CG MET A 71 3.505 -6.972 1.930 1.00 0.00 C ATOM 1137 SD MET A 71 3.557 -5.488 2.968 1.00 0.00 S ATOM 1138 CE MET A 71 5.270 -5.501 3.480 1.00 0.00 C ATOM 0 H MET A 71 4.888 -8.707 0.347 1.00 0.00 H new ATOM 0 HA MET A 71 4.018 -10.359 2.586 1.00 0.00 H new ATOM 0 HB2 MET A 71 3.203 -8.333 3.556 1.00 0.00 H new ATOM 0 HB3 MET A 71 4.878 -8.155 3.072 1.00 0.00 H new ATOM 0 HG2 MET A 71 4.196 -6.849 1.096 1.00 0.00 H new ATOM 0 HG3 MET A 71 2.507 -7.075 1.505 1.00 0.00 H new ATOM 0 HE1 MET A 71 5.513 -4.554 3.961 1.00 0.00 H new ATOM 0 HE2 MET A 71 5.433 -6.318 4.183 1.00 0.00 H new ATOM 0 HE3 MET A 71 5.909 -5.640 2.608 1.00 0.00 H new ATOM 1148 N ILE A 72 1.674 -10.740 1.798 1.00 0.00 N ATOM 1149 CA ILE A 72 0.366 -11.021 1.274 1.00 0.00 C ATOM 1150 C ILE A 72 -0.669 -10.919 2.390 1.00 0.00 C ATOM 1151 O ILE A 72 -0.932 -11.886 3.103 1.00 0.00 O ATOM 1152 CB ILE A 72 0.290 -12.432 0.595 1.00 0.00 C ATOM 1153 CG1 ILE A 72 1.402 -12.582 -0.465 1.00 0.00 C ATOM 1154 CG2 ILE A 72 -1.084 -12.636 -0.055 1.00 0.00 C ATOM 1155 CD1 ILE A 72 1.478 -13.952 -1.110 1.00 0.00 C ATOM 0 H ILE A 72 1.976 -11.352 2.556 1.00 0.00 H new ATOM 0 HA ILE A 72 0.153 -10.280 0.503 1.00 0.00 H new ATOM 0 HB ILE A 72 0.434 -13.192 1.363 1.00 0.00 H new ATOM 0 HG12 ILE A 72 1.246 -11.836 -1.244 1.00 0.00 H new ATOM 0 HG13 ILE A 72 2.362 -12.360 0.001 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -1.123 -13.620 -0.523 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -1.861 -12.565 0.706 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -1.246 -11.868 -0.811 1.00 0.00 H new ATOM 0 HD11 ILE A 72 2.287 -13.966 -1.841 1.00 0.00 H new ATOM 0 HD12 ILE A 72 1.668 -14.704 -0.345 1.00 0.00 H new ATOM 0 HD13 ILE A 72 0.534 -14.172 -1.609 1.00 0.00 H new ATOM 1167 N PRO A 73 -1.204 -9.739 2.632 1.00 0.00 N ATOM 1168 CA PRO A 73 -2.216 -9.567 3.625 1.00 0.00 C ATOM 1169 C PRO A 73 -3.566 -9.955 3.033 1.00 0.00 C ATOM 1170 O PRO A 73 -4.030 -9.347 2.076 1.00 0.00 O ATOM 1171 CB PRO A 73 -2.167 -8.063 3.965 1.00 0.00 C ATOM 1172 CG PRO A 73 -1.098 -7.482 3.084 1.00 0.00 C ATOM 1173 CD PRO A 73 -0.874 -8.475 1.981 1.00 0.00 C ATOM 0 HA PRO A 73 -2.067 -10.183 4.512 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -3.130 -7.588 3.778 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -1.934 -7.907 5.018 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -1.408 -6.517 2.682 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -0.180 -7.313 3.647 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -1.515 -8.280 1.121 1.00 0.00 H new ATOM 0 HD3 PRO A 73 0.155 -8.459 1.621 1.00 0.00 H new ATOM 1181 N TYR A 74 -4.208 -10.935 3.615 1.00 0.00 N ATOM 1182 CA TYR A 74 -5.462 -11.437 3.114 1.00 0.00 C ATOM 1183 C TYR A 74 -6.574 -10.609 3.695 1.00 0.00 C ATOM 1184 O TYR A 74 -7.426 -11.084 4.468 1.00 0.00 O ATOM 1185 CB TYR A 74 -5.652 -12.924 3.446 1.00 0.00 C ATOM 1186 CG TYR A 74 -4.556 -13.830 2.918 1.00 0.00 C ATOM 1187 CD1 TYR A 74 -4.590 -14.323 1.618 1.00 0.00 C ATOM 1188 CD2 TYR A 74 -3.494 -14.201 3.729 1.00 0.00 C ATOM 1189 CE1 TYR A 74 -3.592 -15.157 1.149 1.00 0.00 C ATOM 1190 CE2 TYR A 74 -2.498 -15.026 3.269 1.00 0.00 C ATOM 1191 CZ TYR A 74 -2.547 -15.504 1.983 1.00 0.00 C ATOM 1192 OH TYR A 74 -1.551 -16.338 1.534 1.00 0.00 O ATOM 0 H TYR A 74 -3.874 -11.410 4.454 1.00 0.00 H new ATOM 0 HA TYR A 74 -5.470 -11.358 2.027 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -5.710 -13.037 4.529 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -6.608 -13.255 3.039 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -5.407 -14.051 0.966 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -3.450 -13.833 4.743 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -3.629 -15.534 0.138 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -1.678 -15.298 3.917 1.00 0.00 H new ATOM 0 HH TYR A 74 -0.895 -16.478 2.248 1.00 0.00 H new ATOM 1202 N THR A 75 -6.500 -9.366 3.395 1.00 0.00 N ATOM 1203 CA THR A 75 -7.440 -8.431 3.806 1.00 0.00 C ATOM 1204 C THR A 75 -8.329 -8.148 2.633 1.00 0.00 C ATOM 1205 O THR A 75 -7.835 -7.763 1.560 1.00 0.00 O ATOM 1206 CB THR A 75 -6.741 -7.137 4.278 1.00 0.00 C ATOM 1207 OG1 THR A 75 -5.873 -6.639 3.237 1.00 0.00 O ATOM 1208 CG2 THR A 75 -5.920 -7.380 5.537 1.00 0.00 C ATOM 0 H THR A 75 -5.746 -8.971 2.833 1.00 0.00 H new ATOM 0 HA THR A 75 -8.022 -8.814 4.644 1.00 0.00 H new ATOM 0 HB THR A 75 -7.515 -6.403 4.503 1.00 0.00 H new ATOM 0 HG1 THR A 75 -6.261 -6.845 2.361 1.00 0.00 H new ATOM 0 HG21 THR A 75 -5.441 -6.450 5.844 1.00 0.00 H new ATOM 0 HG22 THR A 75 -6.573 -7.732 6.335 1.00 0.00 H new ATOM 0 HG23 THR A 75 -5.157 -8.132 5.335 1.00 0.00 H new ATOM 1216 N LYS A 76 -9.596 -8.388 2.795 1.00 0.00 N ATOM 1217 CA LYS A 76 -10.551 -8.148 1.747 1.00 0.00 C ATOM 1218 C LYS A 76 -11.404 -6.943 2.111 1.00 0.00 C ATOM 1219 O LYS A 76 -12.325 -7.062 2.915 1.00 0.00 O ATOM 1220 CB LYS A 76 -11.440 -9.383 1.525 1.00 0.00 C ATOM 1221 CG LYS A 76 -12.487 -9.223 0.428 1.00 0.00 C ATOM 1222 CD LYS A 76 -13.397 -10.440 0.359 1.00 0.00 C ATOM 1223 CE LYS A 76 -14.469 -10.287 -0.712 1.00 0.00 C ATOM 1224 NZ LYS A 76 -15.350 -9.128 -0.473 1.00 0.00 N ATOM 0 H LYS A 76 -10.000 -8.756 3.656 1.00 0.00 H new ATOM 0 HA LYS A 76 -10.016 -7.948 0.819 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -10.803 -10.233 1.280 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -11.946 -9.623 2.460 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -13.083 -8.330 0.617 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -11.993 -9.079 -0.533 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -12.800 -11.328 0.151 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -13.871 -10.594 1.328 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -13.991 -10.181 -1.686 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -15.071 -11.195 -0.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -16.175 -9.183 -1.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -15.669 -9.133 0.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -14.827 -8.249 -0.664 1.00 0.00 H new ATOM 1238 N PRO A 77 -11.008 -5.755 1.660 1.00 0.00 N ATOM 1239 CA PRO A 77 -11.742 -4.542 1.862 1.00 0.00 C ATOM 1240 C PRO A 77 -12.410 -4.111 0.583 1.00 0.00 C ATOM 1241 O PRO A 77 -12.451 -4.856 -0.414 1.00 0.00 O ATOM 1242 CB PRO A 77 -10.618 -3.559 2.212 1.00 0.00 C ATOM 1243 CG PRO A 77 -9.378 -4.122 1.562 1.00 0.00 C ATOM 1244 CD PRO A 77 -9.759 -5.461 0.973 1.00 0.00 C ATOM 0 HA PRO A 77 -12.530 -4.621 2.611 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -10.839 -2.560 1.837 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -10.492 -3.474 3.291 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -9.010 -3.450 0.787 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -8.577 -4.236 2.292 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -9.892 -5.408 -0.108 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -9.001 -6.220 1.164 1.00 0.00 H new ATOM 1252 N CYS A 78 -12.891 -2.917 0.583 1.00 0.00 N ATOM 1253 CA CYS A 78 -13.499 -2.376 -0.580 1.00 0.00 C ATOM 1254 C CYS A 78 -12.428 -2.016 -1.623 1.00 0.00 C ATOM 1255 O CYS A 78 -12.714 -1.845 -2.804 1.00 0.00 O ATOM 1256 CB CYS A 78 -14.335 -1.196 -0.177 1.00 0.00 C ATOM 1257 SG CYS A 78 -15.743 -1.642 0.859 1.00 0.00 S ATOM 0 H CYS A 78 -12.874 -2.290 1.387 1.00 0.00 H new ATOM 0 HA CYS A 78 -14.152 -3.111 -1.051 1.00 0.00 H new ATOM 0 HB2 CYS A 78 -13.710 -0.482 0.359 1.00 0.00 H new ATOM 0 HB3 CYS A 78 -14.697 -0.692 -1.073 1.00 0.00 H new ATOM 0 HG CYS A 78 -16.412 -0.571 1.166 1.00 0.00 H new ATOM 1263 N TYR A 79 -11.193 -1.930 -1.167 1.00 0.00 N ATOM 1264 CA TYR A 79 -10.072 -1.650 -2.027 1.00 0.00 C ATOM 1265 C TYR A 79 -9.631 -2.922 -2.740 1.00 0.00 C ATOM 1266 O TYR A 79 -10.061 -3.182 -3.856 1.00 0.00 O ATOM 1267 CB TYR A 79 -8.931 -1.070 -1.201 1.00 0.00 C ATOM 1268 CG TYR A 79 -7.657 -0.681 -1.933 1.00 0.00 C ATOM 1269 CD1 TYR A 79 -7.508 0.578 -2.488 1.00 0.00 C ATOM 1270 CD2 TYR A 79 -6.573 -1.553 -1.985 1.00 0.00 C ATOM 1271 CE1 TYR A 79 -6.322 0.956 -3.073 1.00 0.00 C ATOM 1272 CE2 TYR A 79 -5.397 -1.188 -2.580 1.00 0.00 C ATOM 1273 CZ TYR A 79 -5.274 0.067 -3.114 1.00 0.00 C ATOM 1274 OH TYR A 79 -4.090 0.447 -3.665 1.00 0.00 O ATOM 0 H TYR A 79 -10.944 -2.054 -0.186 1.00 0.00 H new ATOM 0 HA TYR A 79 -10.365 -0.920 -2.782 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -9.306 -0.185 -0.686 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -8.668 -1.798 -0.434 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -8.334 1.273 -2.461 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -6.662 -2.536 -1.547 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -6.215 1.944 -3.497 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -4.572 -1.884 -2.628 1.00 0.00 H new ATOM 0 HH TYR A 79 -3.489 0.766 -2.960 1.00 0.00 H new ATOM 1284 N GLY A 80 -8.838 -3.724 -2.050 1.00 0.00 N ATOM 1285 CA GLY A 80 -8.294 -4.936 -2.585 1.00 0.00 C ATOM 1286 C GLY A 80 -7.126 -5.376 -1.724 1.00 0.00 C ATOM 1287 O GLY A 80 -6.984 -4.901 -0.588 1.00 0.00 O ATOM 0 H GLY A 80 -8.556 -3.538 -1.087 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -9.058 -5.713 -2.609 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -7.966 -4.780 -3.613 1.00 0.00 H new ATOM 1291 N THR A 81 -6.302 -6.225 -2.239 1.00 0.00 N ATOM 1292 CA THR A 81 -5.183 -6.757 -1.525 1.00 0.00 C ATOM 1293 C THR A 81 -3.880 -6.218 -2.121 1.00 0.00 C ATOM 1294 O THR A 81 -3.701 -6.181 -3.349 1.00 0.00 O ATOM 1295 CB THR A 81 -5.222 -8.280 -1.619 1.00 0.00 C ATOM 1296 OG1 THR A 81 -6.460 -8.771 -1.071 1.00 0.00 O ATOM 1297 CG2 THR A 81 -4.039 -8.945 -0.931 1.00 0.00 C ATOM 0 H THR A 81 -6.387 -6.579 -3.192 1.00 0.00 H new ATOM 0 HA THR A 81 -5.230 -6.456 -0.479 1.00 0.00 H new ATOM 0 HB THR A 81 -5.155 -8.540 -2.676 1.00 0.00 H new ATOM 0 HG1 THR A 81 -6.665 -8.289 -0.243 1.00 0.00 H new ATOM 0 HG21 THR A 81 -4.121 -10.027 -1.031 1.00 0.00 H new ATOM 0 HG22 THR A 81 -3.112 -8.607 -1.394 1.00 0.00 H new ATOM 0 HG23 THR A 81 -4.035 -8.677 0.126 1.00 0.00 H new ATOM 1305 N ALA A 82 -2.986 -5.821 -1.260 1.00 0.00 N ATOM 1306 CA ALA A 82 -1.738 -5.241 -1.664 1.00 0.00 C ATOM 1307 C ALA A 82 -0.587 -6.160 -1.382 1.00 0.00 C ATOM 1308 O ALA A 82 -0.238 -6.387 -0.236 1.00 0.00 O ATOM 1309 CB ALA A 82 -1.537 -3.926 -0.931 1.00 0.00 C ATOM 0 H ALA A 82 -3.105 -5.892 -0.249 1.00 0.00 H new ATOM 0 HA ALA A 82 -1.772 -5.070 -2.740 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -0.589 -3.481 -1.235 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -2.352 -3.245 -1.175 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -1.525 -4.107 0.144 1.00 0.00 H new ATOM 1315 N VAL A 83 -0.023 -6.691 -2.416 1.00 0.00 N ATOM 1316 CA VAL A 83 1.126 -7.530 -2.302 1.00 0.00 C ATOM 1317 C VAL A 83 2.266 -6.707 -2.860 1.00 0.00 C ATOM 1318 O VAL A 83 2.166 -6.179 -3.948 1.00 0.00 O ATOM 1319 CB VAL A 83 0.969 -8.847 -3.118 1.00 0.00 C ATOM 1320 CG1 VAL A 83 2.144 -9.785 -2.876 1.00 0.00 C ATOM 1321 CG2 VAL A 83 -0.348 -9.545 -2.791 1.00 0.00 C ATOM 0 H VAL A 83 -0.349 -6.554 -3.373 1.00 0.00 H new ATOM 0 HA VAL A 83 1.288 -7.834 -1.268 1.00 0.00 H new ATOM 0 HB VAL A 83 0.958 -8.579 -4.174 1.00 0.00 H new ATOM 0 HG11 VAL A 83 2.008 -10.696 -3.458 1.00 0.00 H new ATOM 0 HG12 VAL A 83 3.069 -9.295 -3.180 1.00 0.00 H new ATOM 0 HG13 VAL A 83 2.197 -10.036 -1.817 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -0.429 -10.461 -3.376 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -0.377 -9.789 -1.729 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -1.180 -8.884 -3.034 1.00 0.00 H new ATOM 1331 N VAL A 84 3.284 -6.500 -2.116 1.00 0.00 N ATOM 1332 CA VAL A 84 4.371 -5.680 -2.594 1.00 0.00 C ATOM 1333 C VAL A 84 5.678 -6.377 -2.281 1.00 0.00 C ATOM 1334 O VAL A 84 5.785 -7.050 -1.247 1.00 0.00 O ATOM 1335 CB VAL A 84 4.314 -4.214 -1.978 1.00 0.00 C ATOM 1336 CG1 VAL A 84 2.971 -3.545 -2.255 1.00 0.00 C ATOM 1337 CG2 VAL A 84 4.613 -4.205 -0.483 1.00 0.00 C ATOM 0 H VAL A 84 3.405 -6.877 -1.176 1.00 0.00 H new ATOM 0 HA VAL A 84 4.284 -5.555 -3.673 1.00 0.00 H new ATOM 0 HB VAL A 84 5.096 -3.639 -2.475 1.00 0.00 H new ATOM 0 HG11 VAL A 84 2.966 -2.545 -1.821 1.00 0.00 H new ATOM 0 HG12 VAL A 84 2.815 -3.474 -3.331 1.00 0.00 H new ATOM 0 HG13 VAL A 84 2.171 -4.137 -1.811 1.00 0.00 H new ATOM 0 HG21 VAL A 84 4.562 -3.183 -0.108 1.00 0.00 H new ATOM 0 HG22 VAL A 84 3.879 -4.820 0.039 1.00 0.00 H new ATOM 0 HG23 VAL A 84 5.611 -4.606 -0.309 1.00 0.00 H new ATOM 1347 N GLU A 85 6.635 -6.287 -3.191 1.00 0.00 N ATOM 1348 CA GLU A 85 7.922 -6.914 -2.994 1.00 0.00 C ATOM 1349 C GLU A 85 9.017 -5.938 -3.369 1.00 0.00 C ATOM 1350 O GLU A 85 9.108 -5.480 -4.518 1.00 0.00 O ATOM 1351 CB GLU A 85 8.074 -8.172 -3.845 1.00 0.00 C ATOM 1352 CG GLU A 85 9.335 -8.953 -3.511 1.00 0.00 C ATOM 1353 CD GLU A 85 9.679 -10.001 -4.530 1.00 0.00 C ATOM 1354 OE1 GLU A 85 9.147 -11.120 -4.477 1.00 0.00 O ATOM 1355 OE2 GLU A 85 10.515 -9.722 -5.406 1.00 0.00 O ATOM 0 H GLU A 85 6.540 -5.784 -4.073 1.00 0.00 H new ATOM 0 HA GLU A 85 7.998 -7.198 -1.944 1.00 0.00 H new ATOM 0 HB2 GLU A 85 7.204 -8.813 -3.699 1.00 0.00 H new ATOM 0 HB3 GLU A 85 8.091 -7.894 -4.899 1.00 0.00 H new ATOM 0 HG2 GLU A 85 10.170 -8.258 -3.420 1.00 0.00 H new ATOM 0 HG3 GLU A 85 9.210 -9.430 -2.539 1.00 0.00 H new ATOM 1362 N LEU A 86 9.822 -5.591 -2.424 1.00 0.00 N ATOM 1363 CA LEU A 86 10.901 -4.691 -2.674 1.00 0.00 C ATOM 1364 C LEU A 86 12.186 -5.504 -2.927 1.00 0.00 C ATOM 1365 O LEU A 86 12.485 -6.418 -2.190 1.00 0.00 O ATOM 1366 CB LEU A 86 11.073 -3.757 -1.469 1.00 0.00 C ATOM 1367 CG LEU A 86 12.092 -2.626 -1.609 1.00 0.00 C ATOM 1368 CD1 LEU A 86 11.612 -1.561 -2.577 1.00 0.00 C ATOM 1369 CD2 LEU A 86 12.429 -2.027 -0.255 1.00 0.00 C ATOM 0 H LEU A 86 9.754 -5.919 -1.461 1.00 0.00 H new ATOM 0 HA LEU A 86 10.691 -4.084 -3.555 1.00 0.00 H new ATOM 0 HB2 LEU A 86 10.103 -3.314 -1.243 1.00 0.00 H new ATOM 0 HB3 LEU A 86 11.355 -4.363 -0.608 1.00 0.00 H new ATOM 0 HG LEU A 86 13.005 -3.054 -2.023 1.00 0.00 H new ATOM 0 HD11 LEU A 86 12.361 -0.773 -2.652 1.00 0.00 H new ATOM 0 HD12 LEU A 86 11.455 -2.006 -3.559 1.00 0.00 H new ATOM 0 HD13 LEU A 86 10.675 -1.137 -2.216 1.00 0.00 H new ATOM 0 HD21 LEU A 86 13.156 -1.225 -0.383 1.00 0.00 H new ATOM 0 HD22 LEU A 86 11.524 -1.627 0.201 1.00 0.00 H new ATOM 0 HD23 LEU A 86 12.850 -2.799 0.390 1.00 0.00 H new ATOM 1381 N PRO A 87 12.924 -5.224 -4.009 1.00 0.00 N ATOM 1382 CA PRO A 87 14.189 -5.904 -4.304 1.00 0.00 C ATOM 1383 C PRO A 87 15.379 -5.096 -3.755 1.00 0.00 C ATOM 1384 O PRO A 87 16.487 -5.103 -4.314 1.00 0.00 O ATOM 1385 CB PRO A 87 14.194 -5.900 -5.825 1.00 0.00 C ATOM 1386 CG PRO A 87 13.529 -4.619 -6.196 1.00 0.00 C ATOM 1387 CD PRO A 87 12.576 -4.273 -5.069 1.00 0.00 C ATOM 0 HA PRO A 87 14.276 -6.896 -3.861 1.00 0.00 H new ATOM 0 HB2 PRO A 87 15.209 -5.949 -6.219 1.00 0.00 H new ATOM 0 HB3 PRO A 87 13.655 -6.758 -6.226 1.00 0.00 H new ATOM 0 HG2 PRO A 87 14.266 -3.828 -6.335 1.00 0.00 H new ATOM 0 HG3 PRO A 87 12.991 -4.722 -7.138 1.00 0.00 H new ATOM 0 HD2 PRO A 87 12.705 -3.242 -4.739 1.00 0.00 H new ATOM 0 HD3 PRO A 87 11.536 -4.381 -5.377 1.00 0.00 H new ATOM 1395 N VAL A 88 15.120 -4.412 -2.673 1.00 0.00 N ATOM 1396 CA VAL A 88 16.067 -3.588 -1.962 1.00 0.00 C ATOM 1397 C VAL A 88 15.835 -3.962 -0.519 1.00 0.00 C ATOM 1398 O VAL A 88 14.739 -4.387 -0.206 1.00 0.00 O ATOM 1399 CB VAL A 88 15.765 -2.058 -2.154 1.00 0.00 C ATOM 1400 CG1 VAL A 88 16.844 -1.184 -1.541 1.00 0.00 C ATOM 1401 CG2 VAL A 88 15.547 -1.689 -3.621 1.00 0.00 C ATOM 0 H VAL A 88 14.197 -4.413 -2.240 1.00 0.00 H new ATOM 0 HA VAL A 88 17.088 -3.746 -2.310 1.00 0.00 H new ATOM 0 HB VAL A 88 14.833 -1.866 -1.622 1.00 0.00 H new ATOM 0 HG11 VAL A 88 16.594 -0.135 -1.697 1.00 0.00 H new ATOM 0 HG12 VAL A 88 16.912 -1.386 -0.472 1.00 0.00 H new ATOM 0 HG13 VAL A 88 17.802 -1.403 -2.013 1.00 0.00 H new ATOM 0 HG21 VAL A 88 15.342 -0.621 -3.701 1.00 0.00 H new ATOM 0 HG22 VAL A 88 16.442 -1.930 -4.194 1.00 0.00 H new ATOM 0 HG23 VAL A 88 14.701 -2.252 -4.016 1.00 0.00 H new ATOM 1411 N ASP A 89 16.803 -3.803 0.334 1.00 0.00 N ATOM 1412 CA ASP A 89 16.674 -4.212 1.743 1.00 0.00 C ATOM 1413 C ASP A 89 15.692 -3.366 2.544 1.00 0.00 C ATOM 1414 O ASP A 89 15.483 -2.179 2.237 1.00 0.00 O ATOM 1415 CB ASP A 89 18.035 -4.312 2.444 1.00 0.00 C ATOM 1416 CG ASP A 89 18.782 -5.565 2.066 1.00 0.00 C ATOM 1417 OD1 ASP A 89 18.417 -6.653 2.540 1.00 0.00 O ATOM 1418 OD2 ASP A 89 19.756 -5.487 1.277 1.00 0.00 O ATOM 0 H ASP A 89 17.706 -3.392 0.098 1.00 0.00 H new ATOM 0 HA ASP A 89 16.244 -5.213 1.709 1.00 0.00 H new ATOM 0 HB2 ASP A 89 18.638 -3.441 2.188 1.00 0.00 H new ATOM 0 HB3 ASP A 89 17.888 -4.291 3.524 1.00 0.00 H new ATOM 1423 N PRO A 90 15.075 -3.968 3.615 1.00 0.00 N ATOM 1424 CA PRO A 90 14.072 -3.305 4.477 1.00 0.00 C ATOM 1425 C PRO A 90 14.612 -2.053 5.188 1.00 0.00 C ATOM 1426 O PRO A 90 13.864 -1.325 5.818 1.00 0.00 O ATOM 1427 CB PRO A 90 13.706 -4.372 5.517 1.00 0.00 C ATOM 1428 CG PRO A 90 14.797 -5.374 5.461 1.00 0.00 C ATOM 1429 CD PRO A 90 15.286 -5.371 4.049 1.00 0.00 C ATOM 0 HA PRO A 90 13.229 -2.954 3.882 1.00 0.00 H new ATOM 0 HB2 PRO A 90 13.624 -3.937 6.513 1.00 0.00 H new ATOM 0 HB3 PRO A 90 12.743 -4.828 5.288 1.00 0.00 H new ATOM 0 HG2 PRO A 90 15.599 -5.116 6.152 1.00 0.00 H new ATOM 0 HG3 PRO A 90 14.435 -6.362 5.747 1.00 0.00 H new ATOM 0 HD2 PRO A 90 16.336 -5.657 3.987 1.00 0.00 H new ATOM 0 HD3 PRO A 90 14.727 -6.072 3.429 1.00 0.00 H new ATOM 1437 N GLU A 91 15.916 -1.807 5.074 1.00 0.00 N ATOM 1438 CA GLU A 91 16.556 -0.614 5.640 1.00 0.00 C ATOM 1439 C GLU A 91 15.905 0.646 5.048 1.00 0.00 C ATOM 1440 O GLU A 91 15.875 1.719 5.675 1.00 0.00 O ATOM 1441 CB GLU A 91 18.055 -0.624 5.336 1.00 0.00 C ATOM 1442 CG GLU A 91 18.381 -0.702 3.857 1.00 0.00 C ATOM 1443 CD GLU A 91 19.846 -0.586 3.583 1.00 0.00 C ATOM 1444 OE1 GLU A 91 20.403 0.518 3.767 1.00 0.00 O ATOM 1445 OE2 GLU A 91 20.458 -1.582 3.132 1.00 0.00 O ATOM 0 H GLU A 91 16.562 -2.428 4.587 1.00 0.00 H new ATOM 0 HA GLU A 91 16.422 -0.614 6.722 1.00 0.00 H new ATOM 0 HB2 GLU A 91 18.506 0.278 5.750 1.00 0.00 H new ATOM 0 HB3 GLU A 91 18.513 -1.472 5.844 1.00 0.00 H new ATOM 0 HG2 GLU A 91 18.014 -1.648 3.458 1.00 0.00 H new ATOM 0 HG3 GLU A 91 17.853 0.093 3.330 1.00 0.00 H new ATOM 1452 N GLU A 92 15.349 0.466 3.849 1.00 0.00 N ATOM 1453 CA GLU A 92 14.629 1.481 3.103 1.00 0.00 C ATOM 1454 C GLU A 92 13.432 1.977 3.928 1.00 0.00 C ATOM 1455 O GLU A 92 13.022 3.124 3.812 1.00 0.00 O ATOM 1456 CB GLU A 92 14.138 0.839 1.797 1.00 0.00 C ATOM 1457 CG GLU A 92 13.506 1.772 0.780 1.00 0.00 C ATOM 1458 CD GLU A 92 14.489 2.742 0.191 1.00 0.00 C ATOM 1459 OE1 GLU A 92 15.557 2.304 -0.288 1.00 0.00 O ATOM 1460 OE2 GLU A 92 14.211 3.955 0.174 1.00 0.00 O ATOM 0 H GLU A 92 15.394 -0.427 3.358 1.00 0.00 H new ATOM 0 HA GLU A 92 15.275 2.332 2.888 1.00 0.00 H new ATOM 0 HB2 GLU A 92 14.983 0.340 1.323 1.00 0.00 H new ATOM 0 HB3 GLU A 92 13.412 0.066 2.049 1.00 0.00 H new ATOM 0 HG2 GLU A 92 13.061 1.181 -0.021 1.00 0.00 H new ATOM 0 HG3 GLU A 92 12.696 2.326 1.255 1.00 0.00 H new ATOM 1467 N ILE A 93 12.917 1.116 4.802 1.00 0.00 N ATOM 1468 CA ILE A 93 11.776 1.443 5.632 1.00 0.00 C ATOM 1469 C ILE A 93 12.112 2.556 6.597 1.00 0.00 C ATOM 1470 O ILE A 93 11.325 3.430 6.777 1.00 0.00 O ATOM 1471 CB ILE A 93 11.249 0.219 6.419 1.00 0.00 C ATOM 1472 CG1 ILE A 93 10.803 -0.875 5.454 1.00 0.00 C ATOM 1473 CG2 ILE A 93 10.097 0.607 7.361 1.00 0.00 C ATOM 1474 CD1 ILE A 93 10.403 -2.148 6.144 1.00 0.00 C ATOM 0 H ILE A 93 13.283 0.175 4.950 1.00 0.00 H new ATOM 0 HA ILE A 93 10.987 1.773 4.956 1.00 0.00 H new ATOM 0 HB ILE A 93 12.065 -0.160 7.034 1.00 0.00 H new ATOM 0 HG12 ILE A 93 9.962 -0.509 4.865 1.00 0.00 H new ATOM 0 HG13 ILE A 93 11.613 -1.087 4.756 1.00 0.00 H new ATOM 0 HG21 ILE A 93 9.752 -0.277 7.897 1.00 0.00 H new ATOM 0 HG22 ILE A 93 10.447 1.352 8.076 1.00 0.00 H new ATOM 0 HG23 ILE A 93 9.275 1.022 6.778 1.00 0.00 H new ATOM 0 HD11 ILE A 93 10.097 -2.884 5.401 1.00 0.00 H new ATOM 0 HD12 ILE A 93 11.249 -2.536 6.711 1.00 0.00 H new ATOM 0 HD13 ILE A 93 9.572 -1.949 6.821 1.00 0.00 H new ATOM 1486 N GLU A 94 13.313 2.549 7.179 1.00 0.00 N ATOM 1487 CA GLU A 94 13.688 3.611 8.132 1.00 0.00 C ATOM 1488 C GLU A 94 13.681 4.956 7.434 1.00 0.00 C ATOM 1489 O GLU A 94 13.272 5.982 7.997 1.00 0.00 O ATOM 1490 CB GLU A 94 15.056 3.381 8.742 1.00 0.00 C ATOM 1491 CG GLU A 94 15.209 2.082 9.490 1.00 0.00 C ATOM 1492 CD GLU A 94 16.485 2.062 10.277 1.00 0.00 C ATOM 1493 OE1 GLU A 94 17.572 2.114 9.675 1.00 0.00 O ATOM 1494 OE2 GLU A 94 16.422 2.060 11.524 1.00 0.00 O ATOM 0 H GLU A 94 14.030 1.842 7.017 1.00 0.00 H new ATOM 0 HA GLU A 94 12.952 3.593 8.936 1.00 0.00 H new ATOM 0 HB2 GLU A 94 15.802 3.416 7.948 1.00 0.00 H new ATOM 0 HB3 GLU A 94 15.277 4.203 9.423 1.00 0.00 H new ATOM 0 HG2 GLU A 94 14.361 1.943 10.161 1.00 0.00 H new ATOM 0 HG3 GLU A 94 15.199 1.250 8.786 1.00 0.00 H new ATOM 1501 N ARG A 95 14.106 4.936 6.199 1.00 0.00 N ATOM 1502 CA ARG A 95 14.127 6.103 5.368 1.00 0.00 C ATOM 1503 C ARG A 95 12.687 6.520 5.108 1.00 0.00 C ATOM 1504 O ARG A 95 12.284 7.619 5.410 1.00 0.00 O ATOM 1505 CB ARG A 95 14.813 5.728 4.076 1.00 0.00 C ATOM 1506 CG ARG A 95 14.995 6.835 3.077 1.00 0.00 C ATOM 1507 CD ARG A 95 15.702 6.286 1.866 1.00 0.00 C ATOM 1508 NE ARG A 95 16.999 5.673 2.235 1.00 0.00 N ATOM 1509 CZ ARG A 95 17.733 4.878 1.442 1.00 0.00 C ATOM 1510 NH1 ARG A 95 17.352 4.633 0.203 1.00 0.00 N ATOM 1511 NH2 ARG A 95 18.844 4.325 1.904 1.00 0.00 N ATOM 0 H ARG A 95 14.452 4.094 5.738 1.00 0.00 H new ATOM 0 HA ARG A 95 14.659 6.931 5.837 1.00 0.00 H new ATOM 0 HB2 ARG A 95 15.794 5.318 4.315 1.00 0.00 H new ATOM 0 HB3 ARG A 95 14.241 4.930 3.603 1.00 0.00 H new ATOM 0 HG2 ARG A 95 14.028 7.250 2.793 1.00 0.00 H new ATOM 0 HG3 ARG A 95 15.574 7.648 3.516 1.00 0.00 H new ATOM 0 HD2 ARG A 95 15.071 5.543 1.379 1.00 0.00 H new ATOM 0 HD3 ARG A 95 15.867 7.086 1.144 1.00 0.00 H new ATOM 0 HE ARG A 95 17.363 5.871 3.167 1.00 0.00 H new ATOM 0 HH11 ARG A 95 16.494 5.049 -0.158 1.00 0.00 H new ATOM 0 HH12 ARG A 95 17.916 4.027 -0.394 1.00 0.00 H new ATOM 0 HH21 ARG A 95 19.142 4.503 2.863 1.00 0.00 H new ATOM 0 HH22 ARG A 95 19.402 3.721 1.301 1.00 0.00 H new ATOM 1525 N ILE A 96 11.918 5.572 4.660 1.00 0.00 N ATOM 1526 CA ILE A 96 10.512 5.723 4.330 1.00 0.00 C ATOM 1527 C ILE A 96 9.637 6.059 5.572 1.00 0.00 C ATOM 1528 O ILE A 96 8.569 6.613 5.447 1.00 0.00 O ATOM 1529 CB ILE A 96 10.058 4.428 3.603 1.00 0.00 C ATOM 1530 CG1 ILE A 96 10.412 4.482 2.107 1.00 0.00 C ATOM 1531 CG2 ILE A 96 8.607 4.023 3.853 1.00 0.00 C ATOM 1532 CD1 ILE A 96 10.028 3.238 1.320 1.00 0.00 C ATOM 0 H ILE A 96 12.260 4.624 4.504 1.00 0.00 H new ATOM 0 HA ILE A 96 10.377 6.579 3.669 1.00 0.00 H new ATOM 0 HB ILE A 96 10.630 3.620 4.059 1.00 0.00 H new ATOM 0 HG12 ILE A 96 9.918 5.345 1.661 1.00 0.00 H new ATOM 0 HG13 ILE A 96 11.485 4.642 2.007 1.00 0.00 H new ATOM 0 HG21 ILE A 96 8.385 3.108 3.304 1.00 0.00 H new ATOM 0 HG22 ILE A 96 8.455 3.852 4.919 1.00 0.00 H new ATOM 0 HG23 ILE A 96 7.944 4.819 3.515 1.00 0.00 H new ATOM 0 HD11 ILE A 96 10.315 3.365 0.276 1.00 0.00 H new ATOM 0 HD12 ILE A 96 10.543 2.372 1.735 1.00 0.00 H new ATOM 0 HD13 ILE A 96 8.951 3.085 1.384 1.00 0.00 H new ATOM 1544 N LEU A 97 10.129 5.741 6.740 1.00 0.00 N ATOM 1545 CA LEU A 97 9.451 6.019 7.997 1.00 0.00 C ATOM 1546 C LEU A 97 9.574 7.498 8.309 1.00 0.00 C ATOM 1547 O LEU A 97 8.639 8.136 8.818 1.00 0.00 O ATOM 1548 CB LEU A 97 10.099 5.192 9.122 1.00 0.00 C ATOM 1549 CG LEU A 97 9.473 5.295 10.514 1.00 0.00 C ATOM 1550 CD1 LEU A 97 8.067 4.726 10.516 1.00 0.00 C ATOM 1551 CD2 LEU A 97 10.341 4.585 11.541 1.00 0.00 C ATOM 0 H LEU A 97 11.028 5.273 6.856 1.00 0.00 H new ATOM 0 HA LEU A 97 8.398 5.750 7.918 1.00 0.00 H new ATOM 0 HB2 LEU A 97 10.085 4.144 8.822 1.00 0.00 H new ATOM 0 HB3 LEU A 97 11.145 5.488 9.199 1.00 0.00 H new ATOM 0 HG LEU A 97 9.411 6.349 10.784 1.00 0.00 H new ATOM 0 HD11 LEU A 97 7.642 4.810 11.516 1.00 0.00 H new ATOM 0 HD12 LEU A 97 7.449 5.282 9.811 1.00 0.00 H new ATOM 0 HD13 LEU A 97 8.099 3.677 10.222 1.00 0.00 H new ATOM 0 HD21 LEU A 97 9.881 4.668 12.526 1.00 0.00 H new ATOM 0 HD22 LEU A 97 10.436 3.533 11.272 1.00 0.00 H new ATOM 0 HD23 LEU A 97 11.329 5.045 11.562 1.00 0.00 H new ATOM 1563 N GLU A 98 10.712 8.039 7.968 1.00 0.00 N ATOM 1564 CA GLU A 98 10.998 9.426 8.195 1.00 0.00 C ATOM 1565 C GLU A 98 10.392 10.233 7.058 1.00 0.00 C ATOM 1566 O GLU A 98 9.874 11.310 7.247 1.00 0.00 O ATOM 1567 CB GLU A 98 12.507 9.615 8.230 1.00 0.00 C ATOM 1568 CG GLU A 98 12.959 10.972 8.718 1.00 0.00 C ATOM 1569 CD GLU A 98 12.481 11.275 10.115 1.00 0.00 C ATOM 1570 OE1 GLU A 98 12.854 10.550 11.055 1.00 0.00 O ATOM 1571 OE2 GLU A 98 11.728 12.254 10.299 1.00 0.00 O ATOM 0 H GLU A 98 11.471 7.524 7.522 1.00 0.00 H new ATOM 0 HA GLU A 98 10.575 9.761 9.142 1.00 0.00 H new ATOM 0 HB2 GLU A 98 12.941 8.849 8.872 1.00 0.00 H new ATOM 0 HB3 GLU A 98 12.904 9.453 7.228 1.00 0.00 H new ATOM 0 HG2 GLU A 98 14.048 11.019 8.692 1.00 0.00 H new ATOM 0 HG3 GLU A 98 12.591 11.740 8.038 1.00 0.00 H new ATOM 1578 N VAL A 99 10.419 9.647 5.893 1.00 0.00 N ATOM 1579 CA VAL A 99 9.925 10.243 4.670 1.00 0.00 C ATOM 1580 C VAL A 99 8.478 9.722 4.400 1.00 0.00 C ATOM 1581 O VAL A 99 7.995 9.719 3.287 1.00 0.00 O ATOM 1582 CB VAL A 99 10.919 9.855 3.501 1.00 0.00 C ATOM 1583 CG1 VAL A 99 10.552 10.490 2.163 1.00 0.00 C ATOM 1584 CG2 VAL A 99 12.328 10.289 3.862 1.00 0.00 C ATOM 0 H VAL A 99 10.797 8.709 5.758 1.00 0.00 H new ATOM 0 HA VAL A 99 9.878 11.330 4.743 1.00 0.00 H new ATOM 0 HB VAL A 99 10.851 8.773 3.387 1.00 0.00 H new ATOM 0 HG11 VAL A 99 11.273 10.184 1.405 1.00 0.00 H new ATOM 0 HG12 VAL A 99 9.554 10.165 1.867 1.00 0.00 H new ATOM 0 HG13 VAL A 99 10.566 11.576 2.259 1.00 0.00 H new ATOM 0 HG21 VAL A 99 13.010 10.020 3.055 1.00 0.00 H new ATOM 0 HG22 VAL A 99 12.349 11.369 4.011 1.00 0.00 H new ATOM 0 HG23 VAL A 99 12.638 9.790 4.780 1.00 0.00 H new ATOM 1594 N ALA A 100 7.793 9.346 5.464 1.00 0.00 N ATOM 1595 CA ALA A 100 6.424 8.774 5.389 1.00 0.00 C ATOM 1596 C ALA A 100 5.393 9.723 4.782 1.00 0.00 C ATOM 1597 O ALA A 100 4.446 9.279 4.138 1.00 0.00 O ATOM 1598 CB ALA A 100 5.964 8.340 6.766 1.00 0.00 C ATOM 0 H ALA A 100 8.154 9.421 6.415 1.00 0.00 H new ATOM 0 HA ALA A 100 6.492 7.916 4.720 1.00 0.00 H new ATOM 0 HB1 ALA A 100 4.959 7.922 6.699 1.00 0.00 H new ATOM 0 HB2 ALA A 100 6.646 7.584 7.156 1.00 0.00 H new ATOM 0 HB3 ALA A 100 5.955 9.201 7.435 1.00 0.00 H new ATOM 1604 N GLU A 101 5.572 11.004 4.977 1.00 0.00 N ATOM 1605 CA GLU A 101 4.626 11.969 4.478 1.00 0.00 C ATOM 1606 C GLU A 101 4.979 12.511 3.100 1.00 0.00 C ATOM 1607 O GLU A 101 4.075 12.670 2.289 1.00 0.00 O ATOM 1608 CB GLU A 101 4.328 13.068 5.486 1.00 0.00 C ATOM 1609 CG GLU A 101 3.596 12.566 6.713 1.00 0.00 C ATOM 1610 CD GLU A 101 3.377 13.643 7.725 1.00 0.00 C ATOM 1611 OE1 GLU A 101 2.602 14.578 7.460 1.00 0.00 O ATOM 1612 OE2 GLU A 101 4.006 13.593 8.800 1.00 0.00 O ATOM 0 H GLU A 101 6.365 11.404 5.478 1.00 0.00 H new ATOM 0 HA GLU A 101 3.695 11.420 4.338 1.00 0.00 H new ATOM 0 HB2 GLU A 101 5.264 13.534 5.794 1.00 0.00 H new ATOM 0 HB3 GLU A 101 3.730 13.842 5.005 1.00 0.00 H new ATOM 0 HG2 GLU A 101 2.634 12.151 6.414 1.00 0.00 H new ATOM 0 HG3 GLU A 101 4.166 11.755 7.167 1.00 0.00 H new ATOM 1619 N PRO A 102 6.259 12.891 2.818 1.00 0.00 N ATOM 1620 CA PRO A 102 6.654 13.345 1.485 1.00 0.00 C ATOM 1621 C PRO A 102 6.241 12.366 0.366 1.00 0.00 C ATOM 1622 O PRO A 102 6.995 11.410 0.089 1.00 0.00 O ATOM 1623 CB PRO A 102 8.163 13.428 1.584 1.00 0.00 C ATOM 1624 CG PRO A 102 8.410 13.791 2.991 1.00 0.00 C ATOM 1625 CD PRO A 102 7.389 13.032 3.773 1.00 0.00 C ATOM 1626 OXT PRO A 102 5.152 12.553 -0.226 1.00 0.00 O ATOM 0 HA PRO A 102 6.170 14.285 1.219 1.00 0.00 H new ATOM 0 HB2 PRO A 102 8.632 12.478 1.329 1.00 0.00 H new ATOM 0 HB3 PRO A 102 8.567 14.176 0.902 1.00 0.00 H new ATOM 0 HG2 PRO A 102 9.421 13.521 3.296 1.00 0.00 H new ATOM 0 HG3 PRO A 102 8.306 14.865 3.145 1.00 0.00 H new ATOM 0 HD2 PRO A 102 7.768 12.061 4.093 1.00 0.00 H new ATOM 0 HD3 PRO A 102 7.090 13.570 4.673 1.00 0.00 H new TER 1634 PRO A 102