USER MOD reduce.3.24.130724 H: found=0, std=0, add=643, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 643 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 3 GLN : amide:sc=-7.74e-05 X(o=-7.7e-05,f=0.14) USER MOD Set 1.2: A 49 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 8 CYS SG : rot 31:sc= 0.732 USER MOD Set 2.2: A 15 SER OG : rot -96:sc= 0.826 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 142:sc= 0.0206 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 172:sc= -0.031 (180deg=-0.145) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -3.17! C(o=-3.2!,f=-6.3!) USER MOD Single : A 20 ASN : amide:sc= -0.424 X(o=-0.42,f=-0.014) USER MOD Single : A 25 MET CE :methyl 164:sc=-0.000216 (180deg=-0.956) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 HIS : no HD1:sc= -0.127 X(o=-0.13,f=0.013) USER MOD Single : A 30 ASN : amide:sc= -0.34 X(o=-0.34,f=-0.39) USER MOD Single : A 32 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.102) USER MOD Single : A 36 LYS NZ :NH3+ 153:sc= -0.0626 (180deg=-0.564) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 LYS NZ :NH3+ -151:sc= -0.122 (180deg=-0.652) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 61:sc= -0.235 USER MOD Single : A 56 THR OG1 : rot 180:sc=-0.00108 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= -0.139 K(o=-0.14,f=-0.9) USER MOD Single : A 72 ASN : amide:sc= -1.17 X(o=-1.2,f=-0.97) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0.0242 USER MOD Single : A 83 LYS NZ :NH3+ -151:sc= -0.108 (180deg=-0.714) USER MOD Single : A 84 GLN : amide:sc= -0.322 X(o=-0.32,f=-0.028) USER MOD Single : A 85 GLN : amide:sc= -0.0692 X(o=-0.069,f=-0.037) USER MOD Single : A 88 THR OG1 : rot 77:sc= 1.24 USER MOD Single : A 91 GLN : amide:sc= -0.445 X(o=-0.45,f=-0.033) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.949 0.290 -0.148 1.00 74.52 N ATOM 2 CA MET A 1 1.828 0.216 -1.310 1.00 34.35 C ATOM 3 C MET A 1 2.707 -1.029 -1.248 1.00 33.34 C ATOM 4 O MET A 1 3.184 -1.413 -0.179 1.00 55.13 O ATOM 5 CB MET A 1 2.702 1.468 -1.394 1.00 41.13 C ATOM 6 CG MET A 1 3.564 1.524 -2.645 1.00 54.25 C ATOM 7 SD MET A 1 4.936 2.683 -2.492 1.00 41.44 S ATOM 8 CE MET A 1 4.173 4.192 -3.085 1.00 20.24 C ATOM 0 H1 MET A 1 0.862 1.280 0.159 1.00 74.52 H new ATOM 0 H2 MET A 1 0.009 -0.078 -0.399 1.00 74.52 H new ATOM 0 H3 MET A 1 1.348 -0.279 0.626 1.00 74.52 H new ATOM 0 HA MET A 1 1.206 0.155 -2.203 1.00 34.35 H new ATOM 0 HB2 MET A 1 2.063 2.350 -1.363 1.00 41.13 H new ATOM 0 HB3 MET A 1 3.347 1.511 -0.516 1.00 41.13 H new ATOM 0 HG2 MET A 1 3.956 0.529 -2.856 1.00 54.25 H new ATOM 0 HG3 MET A 1 2.945 1.810 -3.495 1.00 54.25 H new ATOM 0 HE1 MET A 1 4.899 5.004 -3.051 1.00 20.24 H new ATOM 0 HE2 MET A 1 3.835 4.050 -4.112 1.00 20.24 H new ATOM 0 HE3 MET A 1 3.320 4.441 -2.454 1.00 20.24 H new ATOM 18 N LYS A 2 2.917 -1.657 -2.400 1.00 24.25 N ATOM 19 CA LYS A 2 3.740 -2.859 -2.477 1.00 51.43 C ATOM 20 C LYS A 2 4.779 -2.736 -3.587 1.00 51.33 C ATOM 21 O LYS A 2 4.513 -3.079 -4.739 1.00 33.13 O ATOM 22 CB LYS A 2 2.862 -4.088 -2.720 1.00 74.01 C ATOM 23 CG LYS A 2 2.341 -4.726 -1.443 1.00 44.45 C ATOM 24 CD LYS A 2 3.464 -5.360 -0.639 1.00 50.52 C ATOM 25 CE LYS A 2 3.621 -6.836 -0.969 1.00 32.11 C ATOM 26 NZ LYS A 2 2.668 -7.681 -0.197 1.00 52.02 N ATOM 0 H LYS A 2 2.529 -1.354 -3.293 1.00 24.25 H new ATOM 0 HA LYS A 2 4.261 -2.974 -1.527 1.00 51.43 H new ATOM 0 HB2 LYS A 2 2.016 -3.802 -3.345 1.00 74.01 H new ATOM 0 HB3 LYS A 2 3.435 -4.828 -3.279 1.00 74.01 H new ATOM 0 HG2 LYS A 2 1.839 -3.972 -0.837 1.00 44.45 H new ATOM 0 HG3 LYS A 2 1.597 -5.483 -1.691 1.00 44.45 H new ATOM 0 HD2 LYS A 2 4.399 -4.839 -0.844 1.00 50.52 H new ATOM 0 HD3 LYS A 2 3.261 -5.244 0.426 1.00 50.52 H new ATOM 0 HE2 LYS A 2 3.460 -6.989 -2.036 1.00 32.11 H new ATOM 0 HE3 LYS A 2 4.642 -7.150 -0.753 1.00 32.11 H new ATOM 0 HZ1 LYS A 2 2.711 -8.660 -0.546 1.00 52.02 H new ATOM 0 HZ2 LYS A 2 2.924 -7.661 0.811 1.00 52.02 H new ATOM 0 HZ3 LYS A 2 1.703 -7.313 -0.316 1.00 52.02 H new ATOM 40 N GLN A 3 5.962 -2.246 -3.232 1.00 42.45 N ATOM 41 CA GLN A 3 7.041 -2.079 -4.200 1.00 14.04 C ATOM 42 C GLN A 3 7.577 -3.432 -4.655 1.00 44.10 C ATOM 43 O GLN A 3 8.160 -4.177 -3.867 1.00 63.24 O ATOM 44 CB GLN A 3 8.172 -1.245 -3.595 1.00 71.42 C ATOM 45 CG GLN A 3 9.219 -0.814 -4.610 1.00 15.23 C ATOM 46 CD GLN A 3 10.117 0.290 -4.087 1.00 65.54 C ATOM 47 OE1 GLN A 3 9.646 1.360 -3.703 1.00 43.44 O ATOM 48 NE2 GLN A 3 11.420 0.034 -4.070 1.00 23.51 N ATOM 0 H GLN A 3 6.198 -1.958 -2.283 1.00 42.45 H new ATOM 0 HA GLN A 3 6.640 -1.557 -5.069 1.00 14.04 H new ATOM 0 HB2 GLN A 3 7.747 -0.358 -3.125 1.00 71.42 H new ATOM 0 HB3 GLN A 3 8.657 -1.822 -2.808 1.00 71.42 H new ATOM 0 HG2 GLN A 3 9.829 -1.674 -4.885 1.00 15.23 H new ATOM 0 HG3 GLN A 3 8.721 -0.473 -5.518 1.00 15.23 H new ATOM 0 HE21 GLN A 3 11.767 -0.867 -4.398 1.00 23.51 H new ATOM 0 HE22 GLN A 3 12.074 0.739 -3.729 1.00 23.51 H new ATOM 57 N VAL A 4 7.376 -3.744 -5.932 1.00 4.45 N ATOM 58 CA VAL A 4 7.841 -5.007 -6.492 1.00 53.23 C ATOM 59 C VAL A 4 8.854 -4.774 -7.607 1.00 52.45 C ATOM 60 O VAL A 4 8.718 -3.841 -8.400 1.00 55.41 O ATOM 61 CB VAL A 4 6.669 -5.840 -7.044 1.00 60.42 C ATOM 62 CG1 VAL A 4 7.177 -7.140 -7.651 1.00 12.35 C ATOM 63 CG2 VAL A 4 5.650 -6.116 -5.949 1.00 54.02 C ATOM 0 H VAL A 4 6.894 -3.139 -6.597 1.00 4.45 H new ATOM 0 HA VAL A 4 8.318 -5.557 -5.681 1.00 53.23 H new ATOM 0 HB VAL A 4 6.177 -5.267 -7.830 1.00 60.42 H new ATOM 0 HG11 VAL A 4 6.335 -7.715 -8.036 1.00 12.35 H new ATOM 0 HG12 VAL A 4 7.866 -6.916 -8.465 1.00 12.35 H new ATOM 0 HG13 VAL A 4 7.694 -7.721 -6.887 1.00 12.35 H new ATOM 0 HG21 VAL A 4 4.829 -6.706 -6.356 1.00 54.02 H new ATOM 0 HG22 VAL A 4 6.127 -6.669 -5.139 1.00 54.02 H new ATOM 0 HG23 VAL A 4 5.263 -5.172 -5.565 1.00 54.02 H new ATOM 73 N LEU A 5 9.870 -5.627 -7.664 1.00 30.31 N ATOM 74 CA LEU A 5 10.908 -5.515 -8.683 1.00 74.42 C ATOM 75 C LEU A 5 10.657 -6.495 -9.825 1.00 70.02 C ATOM 76 O LEU A 5 9.802 -7.375 -9.726 1.00 32.11 O ATOM 77 CB LEU A 5 12.284 -5.773 -8.068 1.00 43.11 C ATOM 78 CG LEU A 5 12.854 -4.648 -7.203 1.00 33.23 C ATOM 79 CD1 LEU A 5 14.222 -5.032 -6.661 1.00 42.24 C ATOM 80 CD2 LEU A 5 12.936 -3.353 -7.998 1.00 24.24 C ATOM 0 H LEU A 5 9.998 -6.405 -7.016 1.00 30.31 H new ATOM 0 HA LEU A 5 10.881 -4.502 -9.085 1.00 74.42 H new ATOM 0 HB2 LEU A 5 12.225 -6.677 -7.461 1.00 43.11 H new ATOM 0 HB3 LEU A 5 12.988 -5.976 -8.875 1.00 43.11 H new ATOM 0 HG LEU A 5 12.184 -4.490 -6.358 1.00 33.23 H new ATOM 0 HD11 LEU A 5 14.612 -4.219 -6.048 1.00 42.24 H new ATOM 0 HD12 LEU A 5 14.133 -5.933 -6.055 1.00 42.24 H new ATOM 0 HD13 LEU A 5 14.903 -5.219 -7.491 1.00 42.24 H new ATOM 0 HD21 LEU A 5 13.344 -2.564 -7.367 1.00 24.24 H new ATOM 0 HD22 LEU A 5 13.584 -3.497 -8.863 1.00 24.24 H new ATOM 0 HD23 LEU A 5 11.939 -3.069 -8.335 1.00 24.24 H new ATOM 92 N VAL A 6 11.410 -6.338 -10.909 1.00 41.42 N ATOM 93 CA VAL A 6 11.272 -7.210 -12.069 1.00 63.12 C ATOM 94 C VAL A 6 12.608 -7.394 -12.780 1.00 62.22 C ATOM 95 O VAL A 6 12.956 -6.627 -13.678 1.00 20.52 O ATOM 96 CB VAL A 6 10.243 -6.654 -13.071 1.00 14.14 C ATOM 97 CG1 VAL A 6 10.132 -7.564 -14.284 1.00 64.13 C ATOM 98 CG2 VAL A 6 8.888 -6.479 -12.400 1.00 63.50 C ATOM 0 H VAL A 6 12.122 -5.615 -11.008 1.00 41.42 H new ATOM 0 HA VAL A 6 10.924 -8.174 -11.700 1.00 63.12 H new ATOM 0 HB VAL A 6 10.585 -5.676 -13.411 1.00 14.14 H new ATOM 0 HG11 VAL A 6 9.400 -7.154 -14.980 1.00 64.13 H new ATOM 0 HG12 VAL A 6 11.102 -7.634 -14.776 1.00 64.13 H new ATOM 0 HG13 VAL A 6 9.814 -8.557 -13.966 1.00 64.13 H new ATOM 0 HG21 VAL A 6 8.173 -6.085 -13.122 1.00 63.50 H new ATOM 0 HG22 VAL A 6 8.538 -7.443 -12.031 1.00 63.50 H new ATOM 0 HG23 VAL A 6 8.982 -5.783 -11.566 1.00 63.50 H new ATOM 108 N ALA A 7 13.353 -8.417 -12.373 1.00 1.31 N ATOM 109 CA ALA A 7 14.650 -8.704 -12.973 1.00 2.43 C ATOM 110 C ALA A 7 14.559 -9.875 -13.944 1.00 73.42 C ATOM 111 O ALA A 7 13.647 -10.698 -13.855 1.00 75.10 O ATOM 112 CB ALA A 7 15.680 -8.992 -11.890 1.00 51.03 C ATOM 0 H ALA A 7 13.080 -9.061 -11.630 1.00 1.31 H new ATOM 0 HA ALA A 7 14.965 -7.825 -13.535 1.00 2.43 H new ATOM 0 HB1 ALA A 7 16.644 -9.205 -12.352 1.00 51.03 H new ATOM 0 HB2 ALA A 7 15.774 -8.124 -11.237 1.00 51.03 H new ATOM 0 HB3 ALA A 7 15.361 -9.854 -11.304 1.00 51.03 H new ATOM 118 N CYS A 8 15.508 -9.945 -14.871 1.00 13.30 N ATOM 119 CA CYS A 8 15.533 -11.016 -15.861 1.00 1.22 C ATOM 120 C CYS A 8 16.825 -10.977 -16.671 1.00 32.23 C ATOM 121 O CYS A 8 17.252 -9.918 -17.127 1.00 51.33 O ATOM 122 CB CYS A 8 14.327 -10.904 -16.795 1.00 45.41 C ATOM 123 SG CYS A 8 14.188 -9.307 -17.631 1.00 54.42 S ATOM 0 H CYS A 8 16.270 -9.273 -14.958 1.00 13.30 H new ATOM 0 HA CYS A 8 15.486 -11.968 -15.332 1.00 1.22 H new ATOM 0 HB2 CYS A 8 14.388 -11.691 -17.546 1.00 45.41 H new ATOM 0 HB3 CYS A 8 13.418 -11.082 -16.220 1.00 45.41 H new ATOM 0 HG CYS A 8 15.375 -8.809 -17.814 1.00 54.42 H new ATOM 196 N SER A 15 11.974 -7.206 -19.993 1.00 11.03 N ATOM 197 CA SER A 15 10.701 -7.854 -19.700 1.00 32.11 C ATOM 198 C SER A 15 9.540 -6.884 -19.897 1.00 34.25 C ATOM 199 O SER A 15 9.035 -6.298 -18.938 1.00 72.12 O ATOM 200 CB SER A 15 10.695 -8.391 -18.267 1.00 41.42 C ATOM 201 OG SER A 15 11.442 -7.550 -17.405 1.00 22.11 O ATOM 0 HA SER A 15 10.578 -8.687 -20.392 1.00 32.11 H new ATOM 0 HB2 SER A 15 9.669 -8.466 -17.908 1.00 41.42 H new ATOM 0 HB3 SER A 15 11.113 -9.398 -18.251 1.00 41.42 H new ATOM 0 HG SER A 15 12.353 -7.900 -17.315 1.00 22.11 H new ATOM 207 N THR A 16 9.120 -6.719 -21.147 1.00 73.21 N ATOM 208 CA THR A 16 8.019 -5.820 -21.472 1.00 24.34 C ATOM 209 C THR A 16 6.678 -6.539 -21.382 1.00 51.32 C ATOM 210 O THR A 16 5.754 -6.069 -20.717 1.00 60.54 O ATOM 211 CB THR A 16 8.177 -5.226 -22.884 1.00 4.12 C ATOM 212 OG1 THR A 16 9.549 -4.891 -23.124 1.00 12.13 O ATOM 213 CG2 THR A 16 7.311 -3.987 -23.049 1.00 51.44 C ATOM 0 H THR A 16 9.526 -7.196 -21.952 1.00 73.21 H new ATOM 0 HA THR A 16 8.044 -5.012 -20.741 1.00 24.34 H new ATOM 0 HB THR A 16 7.854 -5.975 -23.608 1.00 4.12 H new ATOM 0 HG1 THR A 16 9.641 -4.516 -24.025 1.00 12.13 H new ATOM 0 HG21 THR A 16 7.439 -3.585 -24.054 1.00 51.44 H new ATOM 0 HG22 THR A 16 6.265 -4.251 -22.894 1.00 51.44 H new ATOM 0 HG23 THR A 16 7.608 -3.236 -22.317 1.00 51.44 H new ATOM 221 N VAL A 17 6.577 -7.681 -22.055 1.00 41.54 N ATOM 222 CA VAL A 17 5.348 -8.465 -22.050 1.00 63.22 C ATOM 223 C VAL A 17 4.880 -8.743 -20.626 1.00 54.14 C ATOM 224 O VAL A 17 3.709 -8.550 -20.298 1.00 31.42 O ATOM 225 CB VAL A 17 5.534 -9.804 -22.788 1.00 64.31 C ATOM 226 CG1 VAL A 17 4.253 -10.623 -22.741 1.00 40.41 C ATOM 227 CG2 VAL A 17 5.971 -9.564 -24.225 1.00 52.14 C ATOM 0 H VAL A 17 7.332 -8.084 -22.611 1.00 41.54 H new ATOM 0 HA VAL A 17 4.593 -7.874 -22.569 1.00 63.22 H new ATOM 0 HB VAL A 17 6.317 -10.371 -22.284 1.00 64.31 H new ATOM 0 HG11 VAL A 17 4.404 -11.565 -23.268 1.00 40.41 H new ATOM 0 HG12 VAL A 17 3.989 -10.826 -21.703 1.00 40.41 H new ATOM 0 HG13 VAL A 17 3.447 -10.066 -23.219 1.00 40.41 H new ATOM 0 HG21 VAL A 17 6.098 -10.521 -24.731 1.00 52.14 H new ATOM 0 HG22 VAL A 17 5.212 -8.977 -24.743 1.00 52.14 H new ATOM 0 HG23 VAL A 17 6.917 -9.022 -24.232 1.00 52.14 H new ATOM 237 N VAL A 18 5.802 -9.197 -19.783 1.00 51.44 N ATOM 238 CA VAL A 18 5.484 -9.500 -18.393 1.00 40.31 C ATOM 239 C VAL A 18 4.841 -8.302 -17.703 1.00 35.41 C ATOM 240 O VAL A 18 3.669 -8.344 -17.330 1.00 51.12 O ATOM 241 CB VAL A 18 6.742 -9.916 -17.608 1.00 31.22 C ATOM 242 CG1 VAL A 18 6.373 -10.338 -16.194 1.00 22.23 C ATOM 243 CG2 VAL A 18 7.476 -11.034 -18.332 1.00 60.24 C ATOM 0 H VAL A 18 6.775 -9.363 -20.039 1.00 51.44 H new ATOM 0 HA VAL A 18 4.779 -10.331 -18.403 1.00 40.31 H new ATOM 0 HB VAL A 18 7.410 -9.057 -17.543 1.00 31.22 H new ATOM 0 HG11 VAL A 18 7.274 -10.629 -15.654 1.00 22.23 H new ATOM 0 HG12 VAL A 18 5.894 -9.505 -15.679 1.00 22.23 H new ATOM 0 HG13 VAL A 18 5.686 -11.183 -16.234 1.00 22.23 H new ATOM 0 HG21 VAL A 18 8.362 -11.315 -17.763 1.00 60.24 H new ATOM 0 HG22 VAL A 18 6.818 -11.898 -18.430 1.00 60.24 H new ATOM 0 HG23 VAL A 18 7.774 -10.691 -19.323 1.00 60.24 H new ATOM 253 N ASN A 19 5.615 -7.235 -17.536 1.00 64.53 N ATOM 254 CA ASN A 19 5.121 -6.025 -16.890 1.00 71.04 C ATOM 255 C ASN A 19 3.822 -5.555 -17.538 1.00 12.11 C ATOM 256 O ASN A 19 2.882 -5.159 -16.850 1.00 74.33 O ATOM 257 CB ASN A 19 6.172 -4.916 -16.966 1.00 0.21 C ATOM 258 CG ASN A 19 5.621 -3.567 -16.544 1.00 21.52 C ATOM 259 OD1 ASN A 19 5.232 -3.377 -15.392 1.00 12.34 O ATOM 260 ND2 ASN A 19 5.586 -2.624 -17.478 1.00 33.31 N ATOM 0 H ASN A 19 6.588 -7.184 -17.839 1.00 64.53 H new ATOM 0 HA ASN A 19 4.922 -6.257 -15.844 1.00 71.04 H new ATOM 0 HB2 ASN A 19 7.017 -5.176 -16.328 1.00 0.21 H new ATOM 0 HB3 ASN A 19 6.551 -4.848 -17.986 1.00 0.21 H new ATOM 0 HD21 ASN A 19 5.226 -1.697 -17.253 1.00 33.31 H new ATOM 0 HD22 ASN A 19 5.919 -2.827 -18.420 1.00 33.31 H new ATOM 267 N ASN A 20 3.778 -5.602 -18.865 1.00 51.14 N ATOM 268 CA ASN A 20 2.594 -5.181 -19.606 1.00 44.13 C ATOM 269 C ASN A 20 1.391 -6.048 -19.248 1.00 64.45 C ATOM 270 O ASN A 20 0.254 -5.578 -19.241 1.00 43.11 O ATOM 271 CB ASN A 20 2.858 -5.251 -21.112 1.00 10.11 C ATOM 272 CG ASN A 20 3.481 -3.977 -21.650 1.00 32.14 C ATOM 273 OD1 ASN A 20 2.956 -3.359 -22.576 1.00 35.12 O ATOM 274 ND2 ASN A 20 4.607 -3.579 -21.069 1.00 51.44 N ATOM 0 H ASN A 20 4.548 -5.927 -19.450 1.00 51.14 H new ATOM 0 HA ASN A 20 2.371 -4.150 -19.330 1.00 44.13 H new ATOM 0 HB2 ASN A 20 3.518 -6.092 -21.324 1.00 10.11 H new ATOM 0 HB3 ASN A 20 1.920 -5.442 -21.634 1.00 10.11 H new ATOM 0 HD21 ASN A 20 5.072 -2.729 -21.388 1.00 51.44 H new ATOM 0 HD22 ASN A 20 5.006 -4.123 -20.304 1.00 51.44 H new ATOM 281 N ALA A 21 1.651 -7.318 -18.952 1.00 4.52 N ATOM 282 CA ALA A 21 0.591 -8.250 -18.590 1.00 61.14 C ATOM 283 C ALA A 21 0.178 -8.074 -17.133 1.00 52.42 C ATOM 284 O ALA A 21 -1.011 -8.066 -16.812 1.00 50.22 O ATOM 285 CB ALA A 21 1.039 -9.682 -18.844 1.00 75.03 C ATOM 0 H ALA A 21 2.587 -7.724 -18.956 1.00 4.52 H new ATOM 0 HA ALA A 21 -0.276 -8.035 -19.214 1.00 61.14 H new ATOM 0 HB1 ALA A 21 0.238 -10.368 -18.569 1.00 75.03 H new ATOM 0 HB2 ALA A 21 1.277 -9.807 -19.900 1.00 75.03 H new ATOM 0 HB3 ALA A 21 1.923 -9.898 -18.245 1.00 75.03 H new ATOM 291 N ILE A 22 1.166 -7.933 -16.256 1.00 14.22 N ATOM 292 CA ILE A 22 0.903 -7.756 -14.833 1.00 24.11 C ATOM 293 C ILE A 22 0.211 -6.425 -14.563 1.00 0.42 C ATOM 294 O ILE A 22 -0.819 -6.375 -13.891 1.00 3.20 O ATOM 295 CB ILE A 22 2.203 -7.823 -14.009 1.00 15.15 C ATOM 296 CG1 ILE A 22 2.903 -9.165 -14.228 1.00 62.31 C ATOM 297 CG2 ILE A 22 1.904 -7.610 -12.532 1.00 23.21 C ATOM 298 CD1 ILE A 22 2.063 -10.358 -13.828 1.00 41.12 C ATOM 0 H ILE A 22 2.155 -7.938 -16.505 1.00 14.22 H new ATOM 0 HA ILE A 22 0.247 -8.571 -14.529 1.00 24.11 H new ATOM 0 HB ILE A 22 2.870 -7.028 -14.344 1.00 15.15 H new ATOM 0 HG12 ILE A 22 3.173 -9.257 -15.280 1.00 62.31 H new ATOM 0 HG13 ILE A 22 3.832 -9.178 -13.658 1.00 62.31 H new ATOM 0 HG21 ILE A 22 2.832 -7.660 -11.962 1.00 23.21 H new ATOM 0 HG22 ILE A 22 1.444 -6.632 -12.391 1.00 23.21 H new ATOM 0 HG23 ILE A 22 1.222 -8.385 -12.183 1.00 23.21 H new ATOM 0 HD11 ILE A 22 2.623 -11.275 -14.011 1.00 41.12 H new ATOM 0 HD12 ILE A 22 1.815 -10.290 -12.769 1.00 41.12 H new ATOM 0 HD13 ILE A 22 1.145 -10.370 -14.416 1.00 41.12 H new ATOM 310 N GLU A 23 0.783 -5.348 -15.093 1.00 3.14 N ATOM 311 CA GLU A 23 0.220 -4.016 -14.909 1.00 53.40 C ATOM 312 C GLU A 23 -1.261 -3.996 -15.277 1.00 40.34 C ATOM 313 O GLU A 23 -2.057 -3.297 -14.651 1.00 40.23 O ATOM 314 CB GLU A 23 0.981 -2.994 -15.757 1.00 22.35 C ATOM 315 CG GLU A 23 0.761 -3.158 -17.251 1.00 21.40 C ATOM 316 CD GLU A 23 -0.301 -2.220 -17.791 1.00 4.12 C ATOM 317 OE1 GLU A 23 -1.119 -2.666 -18.622 1.00 32.43 O ATOM 318 OE2 GLU A 23 -0.313 -1.040 -17.383 1.00 41.21 O ATOM 0 H GLU A 23 1.635 -5.372 -15.653 1.00 3.14 H new ATOM 0 HA GLU A 23 0.319 -3.750 -13.857 1.00 53.40 H new ATOM 0 HB2 GLU A 23 0.676 -1.990 -15.461 1.00 22.35 H new ATOM 0 HB3 GLU A 23 2.047 -3.079 -15.544 1.00 22.35 H new ATOM 0 HG2 GLU A 23 1.700 -2.978 -17.775 1.00 21.40 H new ATOM 0 HG3 GLU A 23 0.472 -4.188 -17.461 1.00 21.40 H new ATOM 325 N GLU A 24 -1.621 -4.767 -16.298 1.00 73.51 N ATOM 326 CA GLU A 24 -3.006 -4.837 -16.751 1.00 23.13 C ATOM 327 C GLU A 24 -3.875 -5.571 -15.733 1.00 44.22 C ATOM 328 O GLU A 24 -5.032 -5.213 -15.518 1.00 33.53 O ATOM 329 CB GLU A 24 -3.087 -5.539 -18.108 1.00 32.22 C ATOM 330 CG GLU A 24 -4.409 -5.325 -18.826 1.00 10.52 C ATOM 331 CD GLU A 24 -4.397 -5.863 -20.243 1.00 71.12 C ATOM 332 OE1 GLU A 24 -3.305 -5.920 -20.846 1.00 61.23 O ATOM 333 OE2 GLU A 24 -5.479 -6.227 -20.749 1.00 50.14 O ATOM 0 H GLU A 24 -0.974 -5.352 -16.827 1.00 73.51 H new ATOM 0 HA GLU A 24 -3.380 -3.818 -16.854 1.00 23.13 H new ATOM 0 HB2 GLU A 24 -2.276 -5.180 -18.742 1.00 32.22 H new ATOM 0 HB3 GLU A 24 -2.930 -6.608 -17.965 1.00 32.22 H new ATOM 0 HG2 GLU A 24 -5.206 -5.811 -18.264 1.00 10.52 H new ATOM 0 HG3 GLU A 24 -4.638 -4.260 -18.848 1.00 10.52 H new ATOM 340 N MET A 25 -3.307 -6.599 -15.111 1.00 42.12 N ATOM 341 CA MET A 25 -4.029 -7.383 -14.116 1.00 1.11 C ATOM 342 C MET A 25 -4.188 -6.599 -12.817 1.00 53.33 C ATOM 343 O MET A 25 -5.284 -6.513 -12.264 1.00 11.41 O ATOM 344 CB MET A 25 -3.298 -8.699 -13.844 1.00 72.21 C ATOM 345 CG MET A 25 -3.586 -9.778 -14.875 1.00 60.33 C ATOM 346 SD MET A 25 -3.798 -11.408 -14.134 1.00 64.43 S ATOM 347 CE MET A 25 -3.384 -12.466 -15.519 1.00 74.15 C ATOM 0 H MET A 25 -2.350 -6.908 -15.278 1.00 42.12 H new ATOM 0 HA MET A 25 -5.021 -7.601 -14.512 1.00 1.11 H new ATOM 0 HB2 MET A 25 -2.225 -8.510 -13.818 1.00 72.21 H new ATOM 0 HB3 MET A 25 -3.582 -9.066 -12.857 1.00 72.21 H new ATOM 0 HG2 MET A 25 -4.487 -9.515 -15.429 1.00 60.33 H new ATOM 0 HG3 MET A 25 -2.769 -9.814 -15.595 1.00 60.33 H new ATOM 0 HE1 MET A 25 -3.191 -13.477 -15.160 1.00 74.15 H new ATOM 0 HE2 MET A 25 -4.215 -12.484 -16.224 1.00 74.15 H new ATOM 0 HE3 MET A 25 -2.494 -12.082 -16.017 1.00 74.15 H new ATOM 357 N ALA A 26 -3.088 -6.029 -12.336 1.00 71.13 N ATOM 358 CA ALA A 26 -3.107 -5.251 -11.104 1.00 1.10 C ATOM 359 C ALA A 26 -4.207 -4.195 -11.138 1.00 20.40 C ATOM 360 O ALA A 26 -4.920 -3.995 -10.155 1.00 34.03 O ATOM 361 CB ALA A 26 -1.753 -4.597 -10.872 1.00 23.43 C ATOM 0 H ALA A 26 -2.172 -6.092 -12.781 1.00 71.13 H new ATOM 0 HA ALA A 26 -3.317 -5.930 -10.278 1.00 1.10 H new ATOM 0 HB1 ALA A 26 -1.782 -4.019 -9.948 1.00 23.43 H new ATOM 0 HB2 ALA A 26 -0.985 -5.367 -10.795 1.00 23.43 H new ATOM 0 HB3 ALA A 26 -1.521 -3.936 -11.707 1.00 23.43 H new ATOM 367 N LYS A 27 -4.339 -3.522 -12.276 1.00 10.35 N ATOM 368 CA LYS A 27 -5.353 -2.486 -12.439 1.00 24.31 C ATOM 369 C LYS A 27 -6.751 -3.053 -12.213 1.00 4.12 C ATOM 370 O LYS A 27 -7.572 -2.446 -11.526 1.00 60.14 O ATOM 371 CB LYS A 27 -5.261 -1.870 -13.836 1.00 45.45 C ATOM 372 CG LYS A 27 -4.033 -0.997 -14.037 1.00 32.52 C ATOM 373 CD LYS A 27 -3.731 -0.791 -15.511 1.00 43.15 C ATOM 374 CE LYS A 27 -4.493 0.398 -16.076 1.00 2.44 C ATOM 375 NZ LYS A 27 -3.797 1.685 -15.799 1.00 5.35 N ATOM 0 H LYS A 27 -3.757 -3.675 -13.099 1.00 10.35 H new ATOM 0 HA LYS A 27 -5.169 -1.712 -11.694 1.00 24.31 H new ATOM 0 HB2 LYS A 27 -5.253 -2.670 -14.577 1.00 45.45 H new ATOM 0 HB3 LYS A 27 -6.155 -1.274 -14.020 1.00 45.45 H new ATOM 0 HG2 LYS A 27 -4.190 -0.030 -13.558 1.00 32.52 H new ATOM 0 HG3 LYS A 27 -3.174 -1.458 -13.550 1.00 32.52 H new ATOM 0 HD2 LYS A 27 -2.661 -0.636 -15.646 1.00 43.15 H new ATOM 0 HD3 LYS A 27 -3.995 -1.691 -16.067 1.00 43.15 H new ATOM 0 HE2 LYS A 27 -4.613 0.274 -17.152 1.00 2.44 H new ATOM 0 HE3 LYS A 27 -5.494 0.426 -15.645 1.00 2.44 H new ATOM 0 HZ1 LYS A 27 -4.348 2.471 -16.200 1.00 5.35 H new ATOM 0 HZ2 LYS A 27 -3.705 1.816 -14.771 1.00 5.35 H new ATOM 0 HZ3 LYS A 27 -2.852 1.669 -16.232 1.00 5.35 H new ATOM 389 N GLU A 28 -7.012 -4.220 -12.794 1.00 15.34 N ATOM 390 CA GLU A 28 -8.311 -4.867 -12.654 1.00 35.31 C ATOM 391 C GLU A 28 -8.602 -5.193 -11.192 1.00 34.42 C ATOM 392 O GLU A 28 -9.746 -5.115 -10.742 1.00 72.43 O ATOM 393 CB GLU A 28 -8.362 -6.146 -13.493 1.00 4.03 C ATOM 394 CG GLU A 28 -9.773 -6.618 -13.799 1.00 50.01 C ATOM 395 CD GLU A 28 -9.824 -8.076 -14.212 1.00 63.05 C ATOM 396 OE1 GLU A 28 -9.026 -8.873 -13.674 1.00 53.44 O ATOM 397 OE2 GLU A 28 -10.660 -8.421 -15.073 1.00 42.55 O ATOM 0 H GLU A 28 -6.342 -4.736 -13.365 1.00 15.34 H new ATOM 0 HA GLU A 28 -9.073 -4.175 -13.013 1.00 35.31 H new ATOM 0 HB2 GLU A 28 -7.833 -5.976 -14.431 1.00 4.03 H new ATOM 0 HB3 GLU A 28 -7.830 -6.938 -12.966 1.00 4.03 H new ATOM 0 HG2 GLU A 28 -10.400 -6.471 -12.919 1.00 50.01 H new ATOM 0 HG3 GLU A 28 -10.193 -6.004 -14.596 1.00 50.01 H new ATOM 404 N HIS A 29 -7.559 -5.560 -10.454 1.00 42.33 N ATOM 405 CA HIS A 29 -7.701 -5.898 -9.043 1.00 13.04 C ATOM 406 C HIS A 29 -7.813 -4.637 -8.190 1.00 64.44 C ATOM 407 O HIS A 29 -8.421 -4.651 -7.121 1.00 71.24 O ATOM 408 CB HIS A 29 -6.514 -6.740 -8.576 1.00 24.02 C ATOM 409 CG HIS A 29 -6.479 -8.112 -9.176 1.00 13.12 C ATOM 410 ND1 HIS A 29 -7.334 -9.123 -8.791 1.00 22.32 N ATOM 411 CD2 HIS A 29 -5.688 -8.637 -10.140 1.00 43.11 C ATOM 412 CE1 HIS A 29 -7.068 -10.212 -9.491 1.00 12.41 C ATOM 413 NE2 HIS A 29 -6.074 -9.943 -10.317 1.00 45.14 N ATOM 0 H HIS A 29 -6.606 -5.631 -10.810 1.00 42.33 H new ATOM 0 HA HIS A 29 -8.616 -6.478 -8.925 1.00 13.04 H new ATOM 0 HB2 HIS A 29 -5.589 -6.220 -8.826 1.00 24.02 H new ATOM 0 HB3 HIS A 29 -6.547 -6.828 -7.490 1.00 24.02 H new ATOM 0 HD2 HIS A 29 -4.900 -8.124 -10.671 1.00 43.11 H new ATOM 0 HE1 HIS A 29 -7.577 -11.160 -9.402 1.00 12.41 H new ATOM 0 HE2 HIS A 29 -5.660 -10.599 -10.979 1.00 45.14 H new ATOM 421 N ASN A 30 -7.220 -3.549 -8.671 1.00 63.45 N ATOM 422 CA ASN A 30 -7.251 -2.281 -7.953 1.00 13.21 C ATOM 423 C ASN A 30 -6.486 -2.382 -6.637 1.00 45.42 C ATOM 424 O ASN A 30 -6.958 -1.926 -5.596 1.00 15.33 O ATOM 425 CB ASN A 30 -8.697 -1.859 -7.683 1.00 72.33 C ATOM 426 CG ASN A 30 -9.594 -2.065 -8.889 1.00 22.20 C ATOM 427 OD1 ASN A 30 -9.522 -1.318 -9.865 1.00 1.03 O ATOM 428 ND2 ASN A 30 -10.445 -3.083 -8.826 1.00 42.33 N ATOM 0 H ASN A 30 -6.712 -3.521 -9.555 1.00 63.45 H new ATOM 0 HA ASN A 30 -6.769 -1.528 -8.576 1.00 13.21 H new ATOM 0 HB2 ASN A 30 -9.088 -2.430 -6.841 1.00 72.33 H new ATOM 0 HB3 ASN A 30 -8.718 -0.808 -7.393 1.00 72.33 H new ATOM 0 HD21 ASN A 30 -11.073 -3.271 -9.607 1.00 42.33 H new ATOM 0 HD22 ASN A 30 -10.470 -3.676 -7.997 1.00 42.33 H new ATOM 435 N ILE A 31 -5.301 -2.981 -6.693 1.00 1.11 N ATOM 436 CA ILE A 31 -4.469 -3.140 -5.506 1.00 52.25 C ATOM 437 C ILE A 31 -3.289 -2.175 -5.529 1.00 41.42 C ATOM 438 O ILE A 31 -2.816 -1.779 -6.595 1.00 60.31 O ATOM 439 CB ILE A 31 -3.938 -4.580 -5.380 1.00 41.22 C ATOM 440 CG1 ILE A 31 -5.077 -5.585 -5.564 1.00 1.12 C ATOM 441 CG2 ILE A 31 -3.261 -4.778 -4.032 1.00 71.42 C ATOM 442 CD1 ILE A 31 -4.610 -7.023 -5.622 1.00 55.32 C ATOM 0 H ILE A 31 -4.896 -3.364 -7.547 1.00 1.11 H new ATOM 0 HA ILE A 31 -5.100 -2.918 -4.646 1.00 52.25 H new ATOM 0 HB ILE A 31 -3.200 -4.750 -6.164 1.00 41.22 H new ATOM 0 HG12 ILE A 31 -5.785 -5.474 -4.743 1.00 1.12 H new ATOM 0 HG13 ILE A 31 -5.615 -5.349 -6.482 1.00 1.12 H new ATOM 0 HG21 ILE A 31 -2.891 -5.800 -3.957 1.00 71.42 H new ATOM 0 HG22 ILE A 31 -2.427 -4.082 -3.938 1.00 71.42 H new ATOM 0 HG23 ILE A 31 -3.979 -4.593 -3.233 1.00 71.42 H new ATOM 0 HD11 ILE A 31 -5.470 -7.680 -5.754 1.00 55.32 H new ATOM 0 HD12 ILE A 31 -3.925 -7.150 -6.460 1.00 55.32 H new ATOM 0 HD13 ILE A 31 -4.098 -7.277 -4.694 1.00 55.32 H new ATOM 454 N LYS A 32 -2.816 -1.799 -4.346 1.00 23.43 N ATOM 455 CA LYS A 32 -1.688 -0.883 -4.228 1.00 0.33 C ATOM 456 C LYS A 32 -0.380 -1.579 -4.590 1.00 32.52 C ATOM 457 O LYS A 32 0.430 -1.892 -3.718 1.00 23.34 O ATOM 458 CB LYS A 32 -1.604 -0.325 -2.805 1.00 72.10 C ATOM 459 CG LYS A 32 -2.941 0.138 -2.254 1.00 14.34 C ATOM 460 CD LYS A 32 -2.786 1.368 -1.375 1.00 13.21 C ATOM 461 CE LYS A 32 -2.945 2.650 -2.178 1.00 0.34 C ATOM 462 NZ LYS A 32 -1.630 3.209 -2.596 1.00 64.15 N ATOM 0 H LYS A 32 -3.197 -2.115 -3.454 1.00 23.43 H new ATOM 0 HA LYS A 32 -1.846 -0.061 -4.926 1.00 0.33 H new ATOM 0 HB2 LYS A 32 -1.195 -1.091 -2.147 1.00 72.10 H new ATOM 0 HB3 LYS A 32 -0.906 0.512 -2.792 1.00 72.10 H new ATOM 0 HG2 LYS A 32 -3.618 0.362 -3.079 1.00 14.34 H new ATOM 0 HG3 LYS A 32 -3.397 -0.667 -1.678 1.00 14.34 H new ATOM 0 HD2 LYS A 32 -3.528 1.342 -0.577 1.00 13.21 H new ATOM 0 HD3 LYS A 32 -1.806 1.355 -0.899 1.00 13.21 H new ATOM 0 HE2 LYS A 32 -3.553 2.452 -3.061 1.00 0.34 H new ATOM 0 HE3 LYS A 32 -3.480 3.388 -1.581 1.00 0.34 H new ATOM 0 HZ1 LYS A 32 -1.767 4.162 -2.990 1.00 64.15 H new ATOM 0 HZ2 LYS A 32 -0.998 3.263 -1.772 1.00 64.15 H new ATOM 0 HZ3 LYS A 32 -1.205 2.593 -3.319 1.00 64.15 H new ATOM 476 N VAL A 33 -0.180 -1.819 -5.882 1.00 54.40 N ATOM 477 CA VAL A 33 1.030 -2.476 -6.359 1.00 43.15 C ATOM 478 C VAL A 33 1.950 -1.487 -7.067 1.00 2.04 C ATOM 479 O VAL A 33 1.504 -0.688 -7.890 1.00 71.13 O ATOM 480 CB VAL A 33 0.699 -3.631 -7.323 1.00 21.22 C ATOM 481 CG1 VAL A 33 1.949 -4.438 -7.639 1.00 21.21 C ATOM 482 CG2 VAL A 33 -0.385 -4.521 -6.734 1.00 72.01 C ATOM 0 H VAL A 33 -0.841 -1.568 -6.617 1.00 54.40 H new ATOM 0 HA VAL A 33 1.538 -2.878 -5.482 1.00 43.15 H new ATOM 0 HB VAL A 33 0.324 -3.208 -8.255 1.00 21.22 H new ATOM 0 HG11 VAL A 33 1.695 -5.249 -8.321 1.00 21.21 H new ATOM 0 HG12 VAL A 33 2.692 -3.791 -8.105 1.00 21.21 H new ATOM 0 HG13 VAL A 33 2.357 -4.853 -6.717 1.00 21.21 H new ATOM 0 HG21 VAL A 33 -0.607 -5.332 -7.428 1.00 72.01 H new ATOM 0 HG22 VAL A 33 -0.040 -4.937 -5.788 1.00 72.01 H new ATOM 0 HG23 VAL A 33 -1.286 -3.932 -6.564 1.00 72.01 H new ATOM 492 N ASP A 34 3.236 -1.546 -6.740 1.00 64.51 N ATOM 493 CA ASP A 34 4.221 -0.657 -7.345 1.00 51.12 C ATOM 494 C ASP A 34 5.217 -1.444 -8.192 1.00 14.24 C ATOM 495 O ASP A 34 6.278 -1.840 -7.710 1.00 22.41 O ATOM 496 CB ASP A 34 4.962 0.130 -6.263 1.00 61.20 C ATOM 497 CG ASP A 34 4.307 1.465 -5.967 1.00 23.44 C ATOM 498 OD1 ASP A 34 5.042 2.450 -5.746 1.00 50.41 O ATOM 499 OD2 ASP A 34 3.060 1.524 -5.956 1.00 61.20 O ATOM 0 H ASP A 34 3.621 -2.200 -6.059 1.00 64.51 H new ATOM 0 HA ASP A 34 3.693 0.042 -7.994 1.00 51.12 H new ATOM 0 HB2 ASP A 34 5.001 -0.463 -5.349 1.00 61.20 H new ATOM 0 HB3 ASP A 34 5.992 0.296 -6.579 1.00 61.20 H new ATOM 504 N ILE A 35 4.866 -1.667 -9.454 1.00 2.33 N ATOM 505 CA ILE A 35 5.729 -2.406 -10.366 1.00 62.14 C ATOM 506 C ILE A 35 6.997 -1.620 -10.682 1.00 62.02 C ATOM 507 O ILE A 35 6.947 -0.418 -10.942 1.00 42.34 O ATOM 508 CB ILE A 35 5.003 -2.738 -11.683 1.00 50.14 C ATOM 509 CG1 ILE A 35 3.683 -3.456 -11.396 1.00 70.43 C ATOM 510 CG2 ILE A 35 5.892 -3.589 -12.578 1.00 54.34 C ATOM 511 CD1 ILE A 35 2.813 -3.634 -12.621 1.00 11.12 C ATOM 0 H ILE A 35 3.990 -1.347 -9.868 1.00 2.33 H new ATOM 0 HA ILE A 35 5.996 -3.335 -9.863 1.00 62.14 H new ATOM 0 HB ILE A 35 4.782 -1.806 -12.204 1.00 50.14 H new ATOM 0 HG12 ILE A 35 3.897 -4.435 -10.967 1.00 70.43 H new ATOM 0 HG13 ILE A 35 3.128 -2.893 -10.645 1.00 70.43 H new ATOM 0 HG21 ILE A 35 5.365 -3.815 -13.505 1.00 54.34 H new ATOM 0 HG22 ILE A 35 6.808 -3.044 -12.805 1.00 54.34 H new ATOM 0 HG23 ILE A 35 6.141 -4.518 -12.066 1.00 54.34 H new ATOM 0 HD11 ILE A 35 1.894 -4.150 -12.343 1.00 11.12 H new ATOM 0 HD12 ILE A 35 2.568 -2.657 -13.039 1.00 11.12 H new ATOM 0 HD13 ILE A 35 3.349 -4.223 -13.365 1.00 11.12 H new ATOM 523 N LYS A 36 8.134 -2.307 -10.659 1.00 70.54 N ATOM 524 CA LYS A 36 9.416 -1.676 -10.946 1.00 45.12 C ATOM 525 C LYS A 36 10.331 -2.626 -11.713 1.00 42.41 C ATOM 526 O LYS A 36 10.229 -3.844 -11.576 1.00 64.33 O ATOM 527 CB LYS A 36 10.094 -1.237 -9.646 1.00 41.12 C ATOM 528 CG LYS A 36 10.491 0.229 -9.632 1.00 54.30 C ATOM 529 CD LYS A 36 10.626 0.757 -8.213 1.00 62.44 C ATOM 530 CE LYS A 36 11.921 1.533 -8.029 1.00 22.54 C ATOM 531 NZ LYS A 36 12.095 2.579 -9.074 1.00 12.02 N ATOM 0 H LYS A 36 8.193 -3.302 -10.444 1.00 70.54 H new ATOM 0 HA LYS A 36 9.230 -0.799 -11.566 1.00 45.12 H new ATOM 0 HB2 LYS A 36 9.420 -1.430 -8.811 1.00 41.12 H new ATOM 0 HB3 LYS A 36 10.983 -1.847 -9.486 1.00 41.12 H new ATOM 0 HG2 LYS A 36 11.436 0.356 -10.160 1.00 54.30 H new ATOM 0 HG3 LYS A 36 9.745 0.814 -10.169 1.00 54.30 H new ATOM 0 HD2 LYS A 36 9.778 1.401 -7.981 1.00 62.44 H new ATOM 0 HD3 LYS A 36 10.596 -0.075 -7.509 1.00 62.44 H new ATOM 0 HE2 LYS A 36 11.928 1.999 -7.044 1.00 22.54 H new ATOM 0 HE3 LYS A 36 12.765 0.844 -8.061 1.00 22.54 H new ATOM 0 HZ1 LYS A 36 12.684 3.350 -8.699 1.00 12.02 H new ATOM 0 HZ2 LYS A 36 12.558 2.164 -9.907 1.00 12.02 H new ATOM 0 HZ3 LYS A 36 11.165 2.955 -9.347 1.00 12.02 H new ATOM 545 N GLN A 37 11.224 -2.059 -12.518 1.00 41.20 N ATOM 546 CA GLN A 37 12.157 -2.856 -13.305 1.00 71.34 C ATOM 547 C GLN A 37 13.599 -2.459 -13.008 1.00 31.14 C ATOM 548 O GLN A 37 13.936 -1.275 -12.993 1.00 42.21 O ATOM 549 CB GLN A 37 11.868 -2.691 -14.798 1.00 71.24 C ATOM 550 CG GLN A 37 10.403 -2.876 -15.159 1.00 34.14 C ATOM 551 CD GLN A 37 10.153 -2.788 -16.651 1.00 70.33 C ATOM 552 OE1 GLN A 37 10.380 -1.748 -17.270 1.00 73.32 O ATOM 553 NE2 GLN A 37 9.684 -3.883 -17.239 1.00 15.14 N ATOM 0 H GLN A 37 11.321 -1.051 -12.642 1.00 41.20 H new ATOM 0 HA GLN A 37 12.024 -3.902 -13.029 1.00 71.34 H new ATOM 0 HB2 GLN A 37 12.189 -1.698 -15.114 1.00 71.24 H new ATOM 0 HB3 GLN A 37 12.465 -3.412 -15.357 1.00 71.24 H new ATOM 0 HG2 GLN A 37 10.063 -3.845 -14.794 1.00 34.14 H new ATOM 0 HG3 GLN A 37 9.809 -2.117 -14.650 1.00 34.14 H new ATOM 0 HE21 GLN A 37 9.510 -4.723 -16.688 1.00 15.14 H new ATOM 0 HE22 GLN A 37 9.498 -3.883 -18.242 1.00 15.14 H new ATOM 562 N ILE A 38 14.445 -3.456 -12.770 1.00 50.23 N ATOM 563 CA ILE A 38 15.851 -3.210 -12.474 1.00 14.45 C ATOM 564 C ILE A 38 16.737 -4.296 -13.072 1.00 64.14 C ATOM 565 O ILE A 38 16.246 -5.303 -13.582 1.00 60.25 O ATOM 566 CB ILE A 38 16.101 -3.137 -10.956 1.00 23.03 C ATOM 567 CG1 ILE A 38 16.132 -4.543 -10.354 1.00 21.50 C ATOM 568 CG2 ILE A 38 15.032 -2.290 -10.282 1.00 73.22 C ATOM 569 CD1 ILE A 38 14.850 -5.318 -10.562 1.00 74.04 C ATOM 0 H ILE A 38 14.181 -4.441 -12.776 1.00 50.23 H new ATOM 0 HA ILE A 38 16.105 -2.250 -12.923 1.00 14.45 H new ATOM 0 HB ILE A 38 17.070 -2.667 -10.785 1.00 23.03 H new ATOM 0 HG12 ILE A 38 16.959 -5.100 -10.794 1.00 21.50 H new ATOM 0 HG13 ILE A 38 16.332 -4.467 -9.285 1.00 21.50 H new ATOM 0 HG21 ILE A 38 15.223 -2.249 -9.210 1.00 73.22 H new ATOM 0 HG22 ILE A 38 15.054 -1.281 -10.694 1.00 73.22 H new ATOM 0 HG23 ILE A 38 14.052 -2.733 -10.459 1.00 73.22 H new ATOM 0 HD11 ILE A 38 14.944 -6.305 -10.109 1.00 74.04 H new ATOM 0 HD12 ILE A 38 14.022 -4.783 -10.097 1.00 74.04 H new ATOM 0 HD13 ILE A 38 14.659 -5.425 -11.630 1.00 74.04 H new ATOM 581 N LYS A 39 18.048 -4.086 -13.006 1.00 33.14 N ATOM 582 CA LYS A 39 19.005 -5.048 -13.538 1.00 63.10 C ATOM 583 C LYS A 39 19.241 -6.185 -12.549 1.00 61.31 C ATOM 584 O LYS A 39 18.944 -6.058 -11.361 1.00 23.22 O ATOM 585 CB LYS A 39 20.331 -4.355 -13.860 1.00 0.44 C ATOM 586 CG LYS A 39 20.520 -4.060 -15.338 1.00 4.25 C ATOM 587 CD LYS A 39 20.627 -5.338 -16.152 1.00 24.11 C ATOM 588 CE LYS A 39 22.077 -5.756 -16.345 1.00 40.15 C ATOM 589 NZ LYS A 39 22.844 -4.750 -17.131 1.00 1.21 N ATOM 0 H LYS A 39 18.472 -3.257 -12.589 1.00 33.14 H new ATOM 0 HA LYS A 39 18.589 -5.467 -14.454 1.00 63.10 H new ATOM 0 HB2 LYS A 39 20.388 -3.421 -13.301 1.00 0.44 H new ATOM 0 HB3 LYS A 39 21.153 -4.983 -13.515 1.00 0.44 H new ATOM 0 HG2 LYS A 39 19.682 -3.465 -15.701 1.00 4.25 H new ATOM 0 HG3 LYS A 39 21.420 -3.462 -15.478 1.00 4.25 H new ATOM 0 HD2 LYS A 39 20.081 -6.137 -15.651 1.00 24.11 H new ATOM 0 HD3 LYS A 39 20.157 -5.192 -17.124 1.00 24.11 H new ATOM 0 HE2 LYS A 39 22.548 -5.893 -15.372 1.00 40.15 H new ATOM 0 HE3 LYS A 39 22.113 -6.719 -16.854 1.00 40.15 H new ATOM 0 HZ1 LYS A 39 23.608 -5.226 -17.652 1.00 1.21 H new ATOM 0 HZ2 LYS A 39 22.208 -4.277 -17.804 1.00 1.21 H new ATOM 0 HZ3 LYS A 39 23.252 -4.044 -16.486 1.00 1.21 H new ATOM 603 N ILE A 40 19.777 -7.294 -13.047 1.00 23.52 N ATOM 604 CA ILE A 40 20.055 -8.452 -12.206 1.00 30.12 C ATOM 605 C ILE A 40 20.922 -8.069 -11.011 1.00 52.53 C ATOM 606 O ILE A 40 20.743 -8.586 -9.908 1.00 12.51 O ATOM 607 CB ILE A 40 20.759 -9.568 -12.999 1.00 62.53 C ATOM 608 CG1 ILE A 40 21.035 -10.771 -12.095 1.00 22.15 C ATOM 609 CG2 ILE A 40 22.053 -9.050 -13.609 1.00 52.42 C ATOM 610 CD1 ILE A 40 19.781 -11.415 -11.545 1.00 42.54 C ATOM 0 H ILE A 40 20.027 -7.415 -14.028 1.00 23.52 H new ATOM 0 HA ILE A 40 19.093 -8.821 -11.851 1.00 30.12 H new ATOM 0 HB ILE A 40 20.101 -9.888 -13.807 1.00 62.53 H new ATOM 0 HG12 ILE A 40 21.599 -11.515 -12.657 1.00 22.15 H new ATOM 0 HG13 ILE A 40 21.665 -10.454 -11.264 1.00 22.15 H new ATOM 0 HG21 ILE A 40 22.539 -9.851 -14.166 1.00 52.42 H new ATOM 0 HG22 ILE A 40 21.832 -8.222 -14.282 1.00 52.42 H new ATOM 0 HG23 ILE A 40 22.717 -8.706 -12.816 1.00 52.42 H new ATOM 0 HD11 ILE A 40 20.053 -12.261 -10.913 1.00 42.54 H new ATOM 0 HD12 ILE A 40 19.226 -10.685 -10.955 1.00 42.54 H new ATOM 0 HD13 ILE A 40 19.159 -11.764 -12.370 1.00 42.54 H new ATOM 622 N THR A 41 21.862 -7.156 -11.238 1.00 30.22 N ATOM 623 CA THR A 41 22.757 -6.702 -10.181 1.00 14.02 C ATOM 624 C THR A 41 22.234 -5.427 -9.528 1.00 60.42 C ATOM 625 O THR A 41 23.009 -4.618 -9.020 1.00 15.34 O ATOM 626 CB THR A 41 24.177 -6.445 -10.719 1.00 12.41 C ATOM 627 OG1 THR A 41 24.169 -5.320 -11.605 1.00 55.21 O ATOM 628 CG2 THR A 41 24.709 -7.668 -11.449 1.00 72.34 C ATOM 0 H THR A 41 22.023 -6.717 -12.144 1.00 30.22 H new ATOM 0 HA THR A 41 22.797 -7.498 -9.437 1.00 14.02 H new ATOM 0 HB THR A 41 24.830 -6.235 -9.872 1.00 12.41 H new ATOM 0 HG1 THR A 41 25.076 -5.162 -11.941 1.00 55.21 H new ATOM 0 HG21 THR A 41 25.713 -7.462 -11.820 1.00 72.34 H new ATOM 0 HG22 THR A 41 24.742 -8.515 -10.764 1.00 72.34 H new ATOM 0 HG23 THR A 41 24.054 -7.905 -12.287 1.00 72.34 H new ATOM 636 N GLU A 42 20.916 -5.256 -9.546 1.00 32.41 N ATOM 637 CA GLU A 42 20.291 -4.079 -8.955 1.00 52.10 C ATOM 638 C GLU A 42 19.341 -4.475 -7.829 1.00 14.34 C ATOM 639 O GLU A 42 19.046 -3.675 -6.940 1.00 31.20 O ATOM 640 CB GLU A 42 19.532 -3.287 -10.022 1.00 44.12 C ATOM 641 CG GLU A 42 19.222 -1.857 -9.613 1.00 51.00 C ATOM 642 CD GLU A 42 20.473 -1.029 -9.392 1.00 14.31 C ATOM 643 OE1 GLU A 42 21.489 -1.298 -10.066 1.00 71.40 O ATOM 644 OE2 GLU A 42 20.436 -0.112 -8.545 1.00 53.32 O ATOM 0 H GLU A 42 20.261 -5.917 -9.963 1.00 32.41 H new ATOM 0 HA GLU A 42 21.079 -3.452 -8.539 1.00 52.10 H new ATOM 0 HB2 GLU A 42 20.120 -3.274 -10.940 1.00 44.12 H new ATOM 0 HB3 GLU A 42 18.598 -3.802 -10.249 1.00 44.12 H new ATOM 0 HG2 GLU A 42 18.611 -1.387 -10.384 1.00 51.00 H new ATOM 0 HG3 GLU A 42 18.630 -1.865 -8.698 1.00 51.00 H new ATOM 651 N VAL A 43 18.863 -5.715 -7.873 1.00 44.40 N ATOM 652 CA VAL A 43 17.947 -6.218 -6.857 1.00 11.01 C ATOM 653 C VAL A 43 18.649 -6.374 -5.513 1.00 13.25 C ATOM 654 O VAL A 43 18.009 -6.362 -4.462 1.00 4.35 O ATOM 655 CB VAL A 43 17.342 -7.574 -7.268 1.00 45.43 C ATOM 656 CG1 VAL A 43 18.443 -8.582 -7.563 1.00 52.54 C ATOM 657 CG2 VAL A 43 16.410 -8.092 -6.184 1.00 2.13 C ATOM 0 H VAL A 43 19.095 -6.389 -8.602 1.00 44.40 H new ATOM 0 HA VAL A 43 17.146 -5.485 -6.763 1.00 11.01 H new ATOM 0 HB VAL A 43 16.759 -7.432 -8.178 1.00 45.43 H new ATOM 0 HG11 VAL A 43 17.997 -9.534 -7.852 1.00 52.54 H new ATOM 0 HG12 VAL A 43 19.067 -8.212 -8.377 1.00 52.54 H new ATOM 0 HG13 VAL A 43 19.055 -8.723 -6.672 1.00 52.54 H new ATOM 0 HG21 VAL A 43 15.992 -9.051 -6.491 1.00 2.13 H new ATOM 0 HG22 VAL A 43 16.967 -8.220 -5.256 1.00 2.13 H new ATOM 0 HG23 VAL A 43 15.602 -7.377 -6.027 1.00 2.13 H new ATOM 667 N GLY A 44 19.970 -6.520 -5.554 1.00 13.20 N ATOM 668 CA GLY A 44 20.737 -6.676 -4.332 1.00 45.34 C ATOM 669 C GLY A 44 20.341 -5.674 -3.266 1.00 52.45 C ATOM 670 O GLY A 44 19.794 -6.029 -2.222 1.00 70.44 O ATOM 0 H GLY A 44 20.522 -6.533 -6.411 1.00 13.20 H new ATOM 0 HA2 GLY A 44 20.598 -7.686 -3.946 1.00 45.34 H new ATOM 0 HA3 GLY A 44 21.798 -6.563 -4.556 1.00 45.34 H new ATOM 674 N PRO A 45 20.620 -4.387 -3.525 1.00 32.32 N ATOM 675 CA PRO A 45 20.298 -3.304 -2.591 1.00 30.43 C ATOM 676 C PRO A 45 18.797 -3.059 -2.483 1.00 11.12 C ATOM 677 O PRO A 45 18.320 -2.488 -1.501 1.00 64.24 O ATOM 678 CB PRO A 45 20.996 -2.088 -3.204 1.00 1.12 C ATOM 679 CG PRO A 45 21.095 -2.400 -4.657 1.00 70.41 C ATOM 680 CD PRO A 45 21.270 -3.891 -4.749 1.00 65.01 C ATOM 0 HA PRO A 45 20.622 -3.531 -1.575 1.00 30.43 H new ATOM 0 HB2 PRO A 45 20.424 -1.176 -3.033 1.00 1.12 H new ATOM 0 HB3 PRO A 45 21.981 -1.934 -2.764 1.00 1.12 H new ATOM 0 HG2 PRO A 45 20.198 -2.079 -5.187 1.00 70.41 H new ATOM 0 HG3 PRO A 45 21.938 -1.879 -5.112 1.00 70.41 H new ATOM 0 HD2 PRO A 45 20.801 -4.296 -5.646 1.00 65.01 H new ATOM 0 HD3 PRO A 45 22.323 -4.170 -4.786 1.00 65.01 H new ATOM 688 N TYR A 46 18.057 -3.493 -3.497 1.00 32.43 N ATOM 689 CA TYR A 46 16.609 -3.319 -3.516 1.00 44.23 C ATOM 690 C TYR A 46 15.906 -4.534 -2.919 1.00 10.43 C ATOM 691 O TYR A 46 14.849 -4.947 -3.393 1.00 75.00 O ATOM 692 CB TYR A 46 16.122 -3.086 -4.947 1.00 60.14 C ATOM 693 CG TYR A 46 16.428 -1.702 -5.474 1.00 24.31 C ATOM 694 CD1 TYR A 46 16.164 -0.573 -4.709 1.00 50.42 C ATOM 695 CD2 TYR A 46 16.981 -1.524 -6.736 1.00 22.20 C ATOM 696 CE1 TYR A 46 16.442 0.694 -5.186 1.00 75.12 C ATOM 697 CE2 TYR A 46 17.263 -0.262 -7.221 1.00 4.35 C ATOM 698 CZ TYR A 46 16.992 0.844 -6.442 1.00 54.11 C ATOM 699 OH TYR A 46 17.270 2.103 -6.922 1.00 11.52 O ATOM 0 H TYR A 46 18.436 -3.968 -4.317 1.00 32.43 H new ATOM 0 HA TYR A 46 16.365 -2.447 -2.909 1.00 44.23 H new ATOM 0 HB2 TYR A 46 16.582 -3.825 -5.603 1.00 60.14 H new ATOM 0 HB3 TYR A 46 15.045 -3.251 -4.987 1.00 60.14 H new ATOM 0 HD1 TYR A 46 15.734 -0.687 -3.725 1.00 50.42 H new ATOM 0 HD2 TYR A 46 17.194 -2.388 -7.348 1.00 22.20 H new ATOM 0 HE1 TYR A 46 16.230 1.562 -4.579 1.00 75.12 H new ATOM 0 HE2 TYR A 46 17.693 -0.142 -8.204 1.00 4.35 H new ATOM 0 HH TYR A 46 17.655 2.033 -7.821 1.00 11.52 H new ATOM 709 N GLU A 47 16.502 -5.100 -1.874 1.00 11.21 N ATOM 710 CA GLU A 47 15.933 -6.267 -1.211 1.00 70.41 C ATOM 711 C GLU A 47 15.110 -5.855 0.006 1.00 51.11 C ATOM 712 O GLU A 47 14.085 -6.465 0.311 1.00 52.40 O ATOM 713 CB GLU A 47 17.043 -7.232 -0.787 1.00 15.11 C ATOM 714 CG GLU A 47 17.476 -8.183 -1.889 1.00 65.14 C ATOM 715 CD GLU A 47 17.322 -9.640 -1.497 1.00 44.23 C ATOM 716 OE1 GLU A 47 18.232 -10.437 -1.805 1.00 64.24 O ATOM 717 OE2 GLU A 47 16.291 -9.982 -0.882 1.00 11.24 O ATOM 0 H GLU A 47 17.378 -4.769 -1.469 1.00 11.21 H new ATOM 0 HA GLU A 47 15.275 -6.770 -1.919 1.00 70.41 H new ATOM 0 HB2 GLU A 47 17.907 -6.656 -0.456 1.00 15.11 H new ATOM 0 HB3 GLU A 47 16.700 -7.813 0.069 1.00 15.11 H new ATOM 0 HG2 GLU A 47 16.886 -7.987 -2.785 1.00 65.14 H new ATOM 0 HG3 GLU A 47 18.518 -7.987 -2.144 1.00 65.14 H new ATOM 724 N ASP A 48 15.567 -4.817 0.697 1.00 13.51 N ATOM 725 CA ASP A 48 14.874 -4.321 1.881 1.00 75.33 C ATOM 726 C ASP A 48 13.657 -3.488 1.489 1.00 4.32 C ATOM 727 O ASP A 48 12.519 -3.855 1.781 1.00 73.01 O ATOM 728 CB ASP A 48 15.823 -3.487 2.742 1.00 31.34 C ATOM 729 CG ASP A 48 15.474 -3.552 4.216 1.00 3.34 C ATOM 730 OD1 ASP A 48 15.770 -4.586 4.851 1.00 41.50 O ATOM 731 OD2 ASP A 48 14.905 -2.568 4.735 1.00 31.53 O ATOM 0 H ASP A 48 16.415 -4.302 0.458 1.00 13.51 H new ATOM 0 HA ASP A 48 14.533 -5.180 2.459 1.00 75.33 H new ATOM 0 HB2 ASP A 48 16.844 -3.839 2.597 1.00 31.34 H new ATOM 0 HB3 ASP A 48 15.793 -2.449 2.410 1.00 31.34 H new ATOM 736 N THR A 49 13.906 -2.362 0.827 1.00 0.11 N ATOM 737 CA THR A 49 12.832 -1.475 0.398 1.00 45.25 C ATOM 738 C THR A 49 11.764 -2.239 -0.376 1.00 30.12 C ATOM 739 O THR A 49 10.568 -2.027 -0.175 1.00 65.22 O ATOM 740 CB THR A 49 13.368 -0.331 -0.484 1.00 10.53 C ATOM 741 OG1 THR A 49 12.277 0.433 -1.011 1.00 65.14 O ATOM 742 CG2 THR A 49 14.211 -0.876 -1.626 1.00 61.42 C ATOM 0 H THR A 49 14.842 -2.043 0.577 1.00 0.11 H new ATOM 0 HA THR A 49 12.391 -1.053 1.301 1.00 45.25 H new ATOM 0 HB THR A 49 13.996 0.311 0.134 1.00 10.53 H new ATOM 0 HG1 THR A 49 12.626 1.159 -1.569 1.00 65.14 H new ATOM 0 HG21 THR A 49 14.578 -0.049 -2.234 1.00 61.42 H new ATOM 0 HG22 THR A 49 15.057 -1.432 -1.221 1.00 61.42 H new ATOM 0 HG23 THR A 49 13.604 -1.538 -2.243 1.00 61.42 H new ATOM 750 N ALA A 50 12.203 -3.129 -1.260 1.00 32.12 N ATOM 751 CA ALA A 50 11.283 -3.927 -2.061 1.00 62.12 C ATOM 752 C ALA A 50 10.690 -5.068 -1.242 1.00 74.33 C ATOM 753 O ALA A 50 11.375 -5.677 -0.421 1.00 31.34 O ATOM 754 CB ALA A 50 11.992 -4.472 -3.292 1.00 42.44 C ATOM 0 H ALA A 50 13.190 -3.315 -1.439 1.00 32.12 H new ATOM 0 HA ALA A 50 10.465 -3.281 -2.382 1.00 62.12 H new ATOM 0 HB1 ALA A 50 11.293 -5.066 -3.881 1.00 42.44 H new ATOM 0 HB2 ALA A 50 12.362 -3.643 -3.895 1.00 42.44 H new ATOM 0 HB3 ALA A 50 12.829 -5.098 -2.983 1.00 42.44 H new ATOM 760 N ASP A 51 9.412 -5.352 -1.471 1.00 62.11 N ATOM 761 CA ASP A 51 8.726 -6.421 -0.754 1.00 42.04 C ATOM 762 C ASP A 51 8.711 -7.705 -1.578 1.00 54.22 C ATOM 763 O ASP A 51 9.244 -8.732 -1.157 1.00 31.13 O ATOM 764 CB ASP A 51 7.295 -6.000 -0.416 1.00 22.33 C ATOM 765 CG ASP A 51 7.243 -4.954 0.680 1.00 24.13 C ATOM 766 OD1 ASP A 51 6.352 -4.081 0.626 1.00 51.11 O ATOM 767 OD2 ASP A 51 8.094 -5.009 1.593 1.00 52.11 O ATOM 0 H ASP A 51 8.831 -4.857 -2.147 1.00 62.11 H new ATOM 0 HA ASP A 51 9.269 -6.611 0.172 1.00 42.04 H new ATOM 0 HB2 ASP A 51 6.814 -5.608 -1.312 1.00 22.33 H new ATOM 0 HB3 ASP A 51 6.725 -6.876 -0.106 1.00 22.33 H new ATOM 772 N LEU A 52 8.095 -7.640 -2.754 1.00 5.23 N ATOM 773 CA LEU A 52 8.009 -8.798 -3.637 1.00 42.51 C ATOM 774 C LEU A 52 9.013 -8.686 -4.781 1.00 34.05 C ATOM 775 O LEU A 52 9.349 -7.586 -5.221 1.00 14.21 O ATOM 776 CB LEU A 52 6.592 -8.931 -4.198 1.00 63.30 C ATOM 777 CG LEU A 52 5.960 -10.320 -4.099 1.00 55.20 C ATOM 778 CD1 LEU A 52 6.716 -11.314 -4.966 1.00 72.13 C ATOM 779 CD2 LEU A 52 5.926 -10.789 -2.652 1.00 4.22 C ATOM 0 H LEU A 52 7.648 -6.798 -3.118 1.00 5.23 H new ATOM 0 HA LEU A 52 8.248 -9.688 -3.054 1.00 42.51 H new ATOM 0 HB2 LEU A 52 5.948 -8.223 -3.677 1.00 63.30 H new ATOM 0 HB3 LEU A 52 6.608 -8.635 -5.247 1.00 63.30 H new ATOM 0 HG LEU A 52 4.935 -10.258 -4.464 1.00 55.20 H new ATOM 0 HD11 LEU A 52 6.252 -12.297 -4.882 1.00 72.13 H new ATOM 0 HD12 LEU A 52 6.687 -10.986 -6.005 1.00 72.13 H new ATOM 0 HD13 LEU A 52 7.752 -11.373 -4.633 1.00 72.13 H new ATOM 0 HD21 LEU A 52 5.473 -11.779 -2.601 1.00 4.22 H new ATOM 0 HD22 LEU A 52 6.942 -10.834 -2.260 1.00 4.22 H new ATOM 0 HD23 LEU A 52 5.338 -10.090 -2.057 1.00 4.22 H new ATOM 791 N LEU A 53 9.486 -9.831 -5.259 1.00 22.33 N ATOM 792 CA LEU A 53 10.450 -9.863 -6.353 1.00 70.14 C ATOM 793 C LEU A 53 10.145 -11.008 -7.314 1.00 50.33 C ATOM 794 O LEU A 53 9.812 -12.115 -6.892 1.00 14.12 O ATOM 795 CB LEU A 53 11.870 -10.008 -5.804 1.00 44.35 C ATOM 796 CG LEU A 53 12.965 -10.280 -6.837 1.00 73.02 C ATOM 797 CD1 LEU A 53 13.205 -9.049 -7.697 1.00 62.13 C ATOM 798 CD2 LEU A 53 14.252 -10.712 -6.149 1.00 75.15 C ATOM 0 H LEU A 53 9.218 -10.750 -4.906 1.00 22.33 H new ATOM 0 HA LEU A 53 10.373 -8.923 -6.900 1.00 70.14 H new ATOM 0 HB2 LEU A 53 12.125 -9.095 -5.266 1.00 44.35 H new ATOM 0 HB3 LEU A 53 11.876 -10.819 -5.076 1.00 44.35 H new ATOM 0 HG LEU A 53 12.633 -11.091 -7.485 1.00 73.02 H new ATOM 0 HD11 LEU A 53 13.987 -9.261 -8.426 1.00 62.13 H new ATOM 0 HD12 LEU A 53 12.285 -8.784 -8.218 1.00 62.13 H new ATOM 0 HD13 LEU A 53 13.515 -8.218 -7.064 1.00 62.13 H new ATOM 0 HD21 LEU A 53 15.020 -10.901 -6.899 1.00 75.15 H new ATOM 0 HD22 LEU A 53 14.588 -9.922 -5.477 1.00 75.15 H new ATOM 0 HD23 LEU A 53 14.071 -11.622 -5.577 1.00 75.15 H new ATOM 810 N VAL A 54 10.264 -10.734 -8.610 1.00 15.33 N ATOM 811 CA VAL A 54 10.004 -11.741 -9.631 1.00 71.21 C ATOM 812 C VAL A 54 11.110 -11.758 -10.680 1.00 53.44 C ATOM 813 O VAL A 54 11.421 -10.732 -11.287 1.00 61.23 O ATOM 814 CB VAL A 54 8.653 -11.498 -10.329 1.00 14.40 C ATOM 815 CG1 VAL A 54 8.311 -12.658 -11.252 1.00 4.50 C ATOM 816 CG2 VAL A 54 7.553 -11.283 -9.300 1.00 30.11 C ATOM 0 H VAL A 54 10.539 -9.823 -8.977 1.00 15.33 H new ATOM 0 HA VAL A 54 9.973 -12.705 -9.124 1.00 71.21 H new ATOM 0 HB VAL A 54 8.735 -10.596 -10.935 1.00 14.40 H new ATOM 0 HG11 VAL A 54 7.353 -12.468 -11.736 1.00 4.50 H new ATOM 0 HG12 VAL A 54 9.087 -12.760 -12.011 1.00 4.50 H new ATOM 0 HG13 VAL A 54 8.248 -13.578 -10.672 1.00 4.50 H new ATOM 0 HG21 VAL A 54 6.605 -11.113 -9.811 1.00 30.11 H new ATOM 0 HG22 VAL A 54 7.470 -12.166 -8.666 1.00 30.11 H new ATOM 0 HG23 VAL A 54 7.795 -10.416 -8.685 1.00 30.11 H new ATOM 826 N THR A 55 11.701 -12.930 -10.891 1.00 2.42 N ATOM 827 CA THR A 55 12.773 -13.080 -11.866 1.00 62.45 C ATOM 828 C THR A 55 12.778 -14.482 -12.466 1.00 22.25 C ATOM 829 O THR A 55 12.176 -15.406 -11.917 1.00 3.12 O ATOM 830 CB THR A 55 14.150 -12.799 -11.236 1.00 42.01 C ATOM 831 OG1 THR A 55 15.183 -12.996 -12.208 1.00 23.11 O ATOM 832 CG2 THR A 55 14.393 -13.706 -10.039 1.00 40.12 C ATOM 0 H THR A 55 11.455 -13.789 -10.399 1.00 2.42 H new ATOM 0 HA THR A 55 12.587 -12.350 -12.654 1.00 62.45 H new ATOM 0 HB THR A 55 14.165 -11.764 -10.896 1.00 42.01 H new ATOM 0 HG1 THR A 55 15.048 -12.380 -12.958 1.00 23.11 H new ATOM 0 HG21 THR A 55 15.372 -13.489 -9.611 1.00 40.12 H new ATOM 0 HG22 THR A 55 13.622 -13.532 -9.288 1.00 40.12 H new ATOM 0 HG23 THR A 55 14.360 -14.747 -10.359 1.00 40.12 H new ATOM 840 N THR A 56 13.462 -14.636 -13.595 1.00 41.43 N ATOM 841 CA THR A 56 13.545 -15.925 -14.269 1.00 61.13 C ATOM 842 C THR A 56 14.957 -16.495 -14.194 1.00 30.00 C ATOM 843 O THR A 56 15.142 -17.705 -14.067 1.00 1.14 O ATOM 844 CB THR A 56 13.127 -15.814 -15.748 1.00 33.34 C ATOM 845 OG1 THR A 56 14.127 -15.106 -16.488 1.00 14.50 O ATOM 846 CG2 THR A 56 11.790 -15.101 -15.879 1.00 53.45 C ATOM 0 H THR A 56 13.967 -13.883 -14.062 1.00 41.43 H new ATOM 0 HA THR A 56 12.857 -16.595 -13.754 1.00 61.13 H new ATOM 0 HB THR A 56 13.024 -16.821 -16.151 1.00 33.34 H new ATOM 0 HG1 THR A 56 13.855 -15.041 -17.427 1.00 14.50 H new ATOM 0 HG21 THR A 56 11.515 -15.034 -16.932 1.00 53.45 H new ATOM 0 HG22 THR A 56 11.025 -15.659 -15.339 1.00 53.45 H new ATOM 0 HG23 THR A 56 11.870 -14.098 -15.460 1.00 53.45 H new ATOM 854 N ALA A 57 15.950 -15.615 -14.273 1.00 21.41 N ATOM 855 CA ALA A 57 17.346 -16.031 -14.211 1.00 33.52 C ATOM 856 C ALA A 57 17.650 -16.738 -12.894 1.00 51.01 C ATOM 857 O ALA A 57 16.756 -16.963 -12.079 1.00 11.12 O ATOM 858 CB ALA A 57 18.263 -14.831 -14.392 1.00 32.00 C ATOM 0 H ALA A 57 15.814 -14.610 -14.380 1.00 21.41 H new ATOM 0 HA ALA A 57 17.525 -16.737 -15.022 1.00 33.52 H new ATOM 0 HB1 ALA A 57 19.302 -15.157 -14.343 1.00 32.00 H new ATOM 0 HB2 ALA A 57 18.072 -14.370 -15.361 1.00 32.00 H new ATOM 0 HB3 ALA A 57 18.073 -14.105 -13.601 1.00 32.00 H new ATOM 954 N TYR A 63 17.645 -14.097 -0.274 1.00 43.43 N ATOM 955 CA TYR A 63 16.475 -13.242 -0.433 1.00 52.02 C ATOM 956 C TYR A 63 15.627 -13.238 0.835 1.00 73.30 C ATOM 957 O TYR A 63 15.344 -14.289 1.411 1.00 64.21 O ATOM 958 CB TYR A 63 15.633 -13.710 -1.622 1.00 21.04 C ATOM 959 CG TYR A 63 16.415 -13.820 -2.911 1.00 55.33 C ATOM 960 CD1 TYR A 63 16.655 -15.056 -3.497 1.00 62.44 C ATOM 961 CD2 TYR A 63 16.913 -12.687 -3.543 1.00 60.33 C ATOM 962 CE1 TYR A 63 17.369 -15.162 -4.675 1.00 43.34 C ATOM 963 CE2 TYR A 63 17.627 -12.783 -4.722 1.00 52.01 C ATOM 964 CZ TYR A 63 17.852 -14.022 -5.284 1.00 65.21 C ATOM 965 OH TYR A 63 18.564 -14.122 -6.458 1.00 3.25 O ATOM 0 HA TYR A 63 16.822 -12.226 -0.620 1.00 52.02 H new ATOM 0 HB2 TYR A 63 15.196 -14.681 -1.388 1.00 21.04 H new ATOM 0 HB3 TYR A 63 14.806 -13.015 -1.767 1.00 21.04 H new ATOM 0 HD1 TYR A 63 16.277 -15.950 -3.024 1.00 62.44 H new ATOM 0 HD2 TYR A 63 16.739 -11.715 -3.105 1.00 60.33 H new ATOM 0 HE1 TYR A 63 17.548 -16.131 -5.116 1.00 43.34 H new ATOM 0 HE2 TYR A 63 18.007 -11.893 -5.201 1.00 52.01 H new ATOM 0 HH TYR A 63 18.831 -13.227 -6.756 1.00 3.25 H new ATOM 975 N LYS A 64 15.222 -12.048 1.265 1.00 44.21 N ATOM 976 CA LYS A 64 14.405 -11.904 2.463 1.00 13.24 C ATOM 977 C LYS A 64 12.925 -11.816 2.105 1.00 33.01 C ATOM 978 O LYS A 64 12.168 -11.072 2.729 1.00 33.22 O ATOM 979 CB LYS A 64 14.826 -10.658 3.246 1.00 14.03 C ATOM 980 CG LYS A 64 16.323 -10.567 3.485 1.00 13.24 C ATOM 981 CD LYS A 64 16.657 -9.522 4.537 1.00 31.20 C ATOM 982 CE LYS A 64 16.196 -9.956 5.920 1.00 73.21 C ATOM 983 NZ LYS A 64 16.682 -9.032 6.982 1.00 60.50 N ATOM 0 H LYS A 64 15.447 -11.168 0.800 1.00 44.21 H new ATOM 0 HA LYS A 64 14.559 -12.786 3.085 1.00 13.24 H new ATOM 0 HB2 LYS A 64 14.498 -9.771 2.704 1.00 14.03 H new ATOM 0 HB3 LYS A 64 14.312 -10.652 4.207 1.00 14.03 H new ATOM 0 HG2 LYS A 64 16.701 -11.539 3.803 1.00 13.24 H new ATOM 0 HG3 LYS A 64 16.827 -10.319 2.551 1.00 13.24 H new ATOM 0 HD2 LYS A 64 17.733 -9.347 4.549 1.00 31.20 H new ATOM 0 HD3 LYS A 64 16.183 -8.576 4.275 1.00 31.20 H new ATOM 0 HE2 LYS A 64 15.107 -9.996 5.944 1.00 73.21 H new ATOM 0 HE3 LYS A 64 16.556 -10.964 6.123 1.00 73.21 H new ATOM 0 HZ1 LYS A 64 16.347 -9.362 7.909 1.00 60.50 H new ATOM 0 HZ2 LYS A 64 17.722 -9.013 6.976 1.00 60.50 H new ATOM 0 HZ3 LYS A 64 16.317 -8.075 6.803 1.00 60.50 H new ATOM 997 N PHE A 65 12.518 -12.581 1.097 1.00 2.03 N ATOM 998 CA PHE A 65 11.128 -12.590 0.656 1.00 2.35 C ATOM 999 C PHE A 65 10.853 -13.785 -0.251 1.00 33.44 C ATOM 1000 O PHE A 65 11.759 -14.361 -0.854 1.00 53.30 O ATOM 1001 CB PHE A 65 10.796 -11.290 -0.079 1.00 41.13 C ATOM 1002 CG PHE A 65 11.886 -10.830 -1.005 1.00 72.02 C ATOM 1003 CD1 PHE A 65 12.529 -9.621 -0.793 1.00 72.33 C ATOM 1004 CD2 PHE A 65 12.267 -11.606 -2.088 1.00 35.42 C ATOM 1005 CE1 PHE A 65 13.532 -9.195 -1.643 1.00 62.21 C ATOM 1006 CE2 PHE A 65 13.269 -11.186 -2.941 1.00 4.13 C ATOM 1007 CZ PHE A 65 13.902 -9.978 -2.719 1.00 22.31 C ATOM 0 H PHE A 65 13.131 -13.203 0.570 1.00 2.03 H new ATOM 0 HA PHE A 65 10.493 -12.673 1.538 1.00 2.35 H new ATOM 0 HB2 PHE A 65 9.879 -11.429 -0.651 1.00 41.13 H new ATOM 0 HB3 PHE A 65 10.599 -10.508 0.654 1.00 41.13 H new ATOM 0 HD1 PHE A 65 12.243 -9.004 0.046 1.00 72.33 H new ATOM 0 HD2 PHE A 65 11.775 -12.550 -2.267 1.00 35.42 H new ATOM 0 HE1 PHE A 65 14.026 -8.251 -1.466 1.00 62.21 H new ATOM 0 HE2 PHE A 65 13.557 -11.801 -3.781 1.00 4.13 H new ATOM 0 HZ PHE A 65 14.685 -9.647 -3.386 1.00 22.31 H new ATOM 1017 N PRO A 66 9.571 -14.170 -0.349 1.00 45.23 N ATOM 1018 CA PRO A 66 9.146 -15.300 -1.180 1.00 71.10 C ATOM 1019 C PRO A 66 9.274 -15.005 -2.670 1.00 44.05 C ATOM 1020 O PRO A 66 8.326 -14.545 -3.307 1.00 1.35 O ATOM 1021 CB PRO A 66 7.676 -15.488 -0.797 1.00 32.11 C ATOM 1022 CG PRO A 66 7.236 -14.149 -0.313 1.00 62.35 C ATOM 1023 CD PRO A 66 8.440 -13.530 0.342 1.00 75.01 C ATOM 0 HA PRO A 66 9.762 -16.184 -1.012 1.00 71.10 H new ATOM 0 HB2 PRO A 66 7.083 -15.815 -1.651 1.00 32.11 H new ATOM 0 HB3 PRO A 66 7.563 -16.246 -0.022 1.00 32.11 H new ATOM 0 HG2 PRO A 66 6.881 -13.533 -1.139 1.00 62.35 H new ATOM 0 HG3 PRO A 66 6.411 -14.241 0.394 1.00 62.35 H new ATOM 0 HD2 PRO A 66 8.453 -12.447 0.217 1.00 75.01 H new ATOM 0 HD3 PRO A 66 8.460 -13.727 1.414 1.00 75.01 H new ATOM 1031 N VAL A 67 10.453 -15.273 -3.223 1.00 25.23 N ATOM 1032 CA VAL A 67 10.705 -15.038 -4.639 1.00 44.34 C ATOM 1033 C VAL A 67 9.806 -15.908 -5.510 1.00 15.24 C ATOM 1034 O VAL A 67 9.456 -17.027 -5.134 1.00 20.11 O ATOM 1035 CB VAL A 67 12.176 -15.316 -5.002 1.00 23.33 C ATOM 1036 CG1 VAL A 67 12.444 -14.964 -6.457 1.00 51.10 C ATOM 1037 CG2 VAL A 67 13.107 -14.545 -4.078 1.00 63.41 C ATOM 0 H VAL A 67 11.249 -15.653 -2.711 1.00 25.23 H new ATOM 0 HA VAL A 67 10.484 -13.988 -4.828 1.00 44.34 H new ATOM 0 HB VAL A 67 12.369 -16.381 -4.870 1.00 23.33 H new ATOM 0 HG11 VAL A 67 13.488 -15.167 -6.694 1.00 51.10 H new ATOM 0 HG12 VAL A 67 11.802 -15.565 -7.101 1.00 51.10 H new ATOM 0 HG13 VAL A 67 12.234 -13.907 -6.620 1.00 51.10 H new ATOM 0 HG21 VAL A 67 14.142 -14.753 -4.348 1.00 63.41 H new ATOM 0 HG22 VAL A 67 12.914 -13.477 -4.176 1.00 63.41 H new ATOM 0 HG23 VAL A 67 12.933 -14.852 -3.047 1.00 63.41 H new ATOM 1047 N ILE A 68 9.434 -15.386 -6.674 1.00 23.21 N ATOM 1048 CA ILE A 68 8.576 -16.116 -7.599 1.00 22.44 C ATOM 1049 C ILE A 68 9.180 -16.151 -8.998 1.00 62.23 C ATOM 1050 O ILE A 68 9.560 -15.118 -9.547 1.00 40.21 O ATOM 1051 CB ILE A 68 7.170 -15.493 -7.674 1.00 1.51 C ATOM 1052 CG1 ILE A 68 6.538 -15.437 -6.282 1.00 34.53 C ATOM 1053 CG2 ILE A 68 6.290 -16.283 -8.630 1.00 63.35 C ATOM 1054 CD1 ILE A 68 6.293 -16.801 -5.675 1.00 32.31 C ATOM 0 H ILE A 68 9.713 -14.460 -6.999 1.00 23.21 H new ATOM 0 HA ILE A 68 8.493 -17.133 -7.216 1.00 22.44 H new ATOM 0 HB ILE A 68 7.260 -14.475 -8.053 1.00 1.51 H new ATOM 0 HG12 ILE A 68 7.187 -14.865 -5.620 1.00 34.53 H new ATOM 0 HG13 ILE A 68 5.592 -14.900 -6.343 1.00 34.53 H new ATOM 0 HG21 ILE A 68 5.300 -15.830 -8.672 1.00 63.35 H new ATOM 0 HG22 ILE A 68 6.735 -16.275 -9.625 1.00 63.35 H new ATOM 0 HG23 ILE A 68 6.204 -17.312 -8.279 1.00 63.35 H new ATOM 0 HD11 ILE A 68 5.844 -16.685 -4.689 1.00 32.31 H new ATOM 0 HD12 ILE A 68 5.619 -17.369 -6.316 1.00 32.31 H new ATOM 0 HD13 ILE A 68 7.240 -17.333 -5.582 1.00 32.31 H new ATOM 1066 N ASN A 69 9.264 -17.348 -9.571 1.00 41.41 N ATOM 1067 CA ASN A 69 9.821 -17.517 -10.908 1.00 71.33 C ATOM 1068 C ASN A 69 8.835 -17.044 -11.972 1.00 60.22 C ATOM 1069 O ASN A 69 7.632 -17.278 -11.865 1.00 55.53 O ATOM 1070 CB ASN A 69 10.184 -18.984 -11.150 1.00 1.13 C ATOM 1071 CG ASN A 69 8.960 -19.870 -11.272 1.00 34.24 C ATOM 1072 OD1 ASN A 69 8.438 -20.080 -12.367 1.00 13.42 O ATOM 1073 ND2 ASN A 69 8.495 -20.396 -10.144 1.00 0.40 N ATOM 0 H ASN A 69 8.954 -18.214 -9.130 1.00 41.41 H new ATOM 0 HA ASN A 69 10.723 -16.909 -10.978 1.00 71.33 H new ATOM 0 HB2 ASN A 69 10.778 -19.063 -12.060 1.00 1.13 H new ATOM 0 HB3 ASN A 69 10.807 -19.341 -10.330 1.00 1.13 H new ATOM 0 HD21 ASN A 69 7.674 -21.001 -10.164 1.00 0.40 H new ATOM 0 HD22 ASN A 69 8.959 -20.195 -9.258 1.00 0.40 H new ATOM 1080 N ALA A 70 9.355 -16.379 -12.999 1.00 13.35 N ATOM 1081 CA ALA A 70 8.521 -15.875 -14.083 1.00 63.11 C ATOM 1082 C ALA A 70 8.781 -16.641 -15.376 1.00 40.20 C ATOM 1083 O ALA A 70 8.744 -16.069 -16.465 1.00 51.35 O ATOM 1084 CB ALA A 70 8.766 -14.388 -14.290 1.00 43.30 C ATOM 0 H ALA A 70 10.349 -16.177 -13.103 1.00 13.35 H new ATOM 0 HA ALA A 70 7.478 -16.025 -13.806 1.00 63.11 H new ATOM 0 HB1 ALA A 70 8.137 -14.025 -15.103 1.00 43.30 H new ATOM 0 HB2 ALA A 70 8.524 -13.848 -13.374 1.00 43.30 H new ATOM 0 HB3 ALA A 70 9.814 -14.223 -14.542 1.00 43.30 H new ATOM 1090 N ARG A 71 9.045 -17.937 -15.248 1.00 34.12 N ATOM 1091 CA ARG A 71 9.313 -18.780 -16.406 1.00 75.54 C ATOM 1092 C ARG A 71 8.034 -19.038 -17.199 1.00 21.03 C ATOM 1093 O ARG A 71 8.052 -19.078 -18.428 1.00 54.51 O ATOM 1094 CB ARG A 71 9.928 -20.110 -15.965 1.00 2.50 C ATOM 1095 CG ARG A 71 11.078 -19.952 -14.984 1.00 0.05 C ATOM 1096 CD ARG A 71 12.053 -21.115 -15.077 1.00 22.13 C ATOM 1097 NE ARG A 71 13.010 -21.117 -13.973 1.00 41.34 N ATOM 1098 CZ ARG A 71 13.875 -22.100 -13.752 1.00 70.42 C ATOM 1099 NH1 ARG A 71 13.903 -23.156 -14.554 1.00 41.33 N ATOM 1100 NH2 ARG A 71 14.714 -22.029 -12.727 1.00 64.30 N ATOM 0 H ARG A 71 9.079 -18.426 -14.353 1.00 34.12 H new ATOM 0 HA ARG A 71 10.020 -18.256 -17.049 1.00 75.54 H new ATOM 0 HB2 ARG A 71 9.153 -20.725 -15.508 1.00 2.50 H new ATOM 0 HB3 ARG A 71 10.283 -20.646 -16.845 1.00 2.50 H new ATOM 0 HG2 ARG A 71 11.603 -19.018 -15.185 1.00 0.05 H new ATOM 0 HG3 ARG A 71 10.686 -19.885 -13.969 1.00 0.05 H new ATOM 0 HD2 ARG A 71 11.499 -22.054 -15.078 1.00 22.13 H new ATOM 0 HD3 ARG A 71 12.591 -21.062 -16.023 1.00 22.13 H new ATOM 0 HE ARG A 71 13.014 -20.320 -13.337 1.00 41.34 H new ATOM 0 HH11 ARG A 71 13.259 -23.214 -15.343 1.00 41.33 H new ATOM 0 HH12 ARG A 71 14.568 -23.910 -14.382 1.00 41.33 H new ATOM 0 HH21 ARG A 71 14.695 -21.219 -12.108 1.00 64.30 H new ATOM 0 HH22 ARG A 71 15.378 -22.785 -12.558 1.00 64.30 H new ATOM 1114 N ASN A 72 6.927 -19.213 -16.485 1.00 32.22 N ATOM 1115 CA ASN A 72 5.640 -19.468 -17.121 1.00 75.11 C ATOM 1116 C ASN A 72 5.339 -18.414 -18.182 1.00 52.20 C ATOM 1117 O ASN A 72 4.749 -18.713 -19.220 1.00 71.04 O ATOM 1118 CB ASN A 72 4.524 -19.487 -16.074 1.00 2.42 C ATOM 1119 CG ASN A 72 3.380 -20.402 -16.464 1.00 30.21 C ATOM 1120 OD1 ASN A 72 3.594 -21.478 -17.022 1.00 60.40 O ATOM 1121 ND2 ASN A 72 2.156 -19.977 -16.171 1.00 63.41 N ATOM 0 H ASN A 72 6.895 -19.183 -15.466 1.00 32.22 H new ATOM 0 HA ASN A 72 5.690 -20.443 -17.606 1.00 75.11 H new ATOM 0 HB2 ASN A 72 4.933 -19.810 -15.117 1.00 2.42 H new ATOM 0 HB3 ASN A 72 4.144 -18.475 -15.933 1.00 2.42 H new ATOM 0 HD21 ASN A 72 1.347 -20.550 -16.409 1.00 63.41 H new ATOM 0 HD22 ASN A 72 2.026 -19.078 -15.708 1.00 63.41 H new ATOM 1128 N PHE A 73 5.749 -17.179 -17.914 1.00 10.43 N ATOM 1129 CA PHE A 73 5.524 -16.079 -18.845 1.00 35.04 C ATOM 1130 C PHE A 73 6.237 -16.333 -20.169 1.00 74.25 C ATOM 1131 O PHE A 73 5.733 -15.979 -21.237 1.00 23.34 O ATOM 1132 CB PHE A 73 6.007 -14.761 -18.237 1.00 3.22 C ATOM 1133 CG PHE A 73 5.081 -14.207 -17.192 1.00 24.02 C ATOM 1134 CD1 PHE A 73 4.938 -14.841 -15.968 1.00 41.11 C ATOM 1135 CD2 PHE A 73 4.354 -13.053 -17.433 1.00 52.15 C ATOM 1136 CE1 PHE A 73 4.087 -14.334 -15.004 1.00 42.21 C ATOM 1137 CE2 PHE A 73 3.502 -12.541 -16.473 1.00 52.12 C ATOM 1138 CZ PHE A 73 3.367 -13.183 -15.258 1.00 3.34 C ATOM 0 H PHE A 73 6.239 -16.914 -17.059 1.00 10.43 H new ATOM 0 HA PHE A 73 4.453 -16.011 -19.036 1.00 35.04 H new ATOM 0 HB2 PHE A 73 6.991 -14.914 -17.794 1.00 3.22 H new ATOM 0 HB3 PHE A 73 6.126 -14.025 -19.032 1.00 3.22 H new ATOM 0 HD1 PHE A 73 5.498 -15.742 -15.765 1.00 41.11 H new ATOM 0 HD2 PHE A 73 4.454 -12.547 -18.382 1.00 52.15 H new ATOM 0 HE1 PHE A 73 3.985 -14.837 -14.054 1.00 42.21 H new ATOM 0 HE2 PHE A 73 2.942 -11.639 -16.673 1.00 52.12 H new ATOM 0 HZ PHE A 73 2.700 -12.786 -14.508 1.00 3.34 H new ATOM 1148 N LEU A 74 7.412 -16.948 -20.093 1.00 74.13 N ATOM 1149 CA LEU A 74 8.196 -17.250 -21.286 1.00 31.02 C ATOM 1150 C LEU A 74 7.757 -18.572 -21.906 1.00 75.41 C ATOM 1151 O LEU A 74 7.759 -18.730 -23.128 1.00 11.44 O ATOM 1152 CB LEU A 74 9.685 -17.305 -20.940 1.00 60.44 C ATOM 1153 CG LEU A 74 10.402 -15.958 -20.842 1.00 71.34 C ATOM 1154 CD1 LEU A 74 11.697 -16.099 -20.057 1.00 53.42 C ATOM 1155 CD2 LEU A 74 10.676 -15.398 -22.230 1.00 53.34 C ATOM 0 H LEU A 74 7.843 -17.247 -19.218 1.00 74.13 H new ATOM 0 HA LEU A 74 8.027 -16.456 -22.013 1.00 31.02 H new ATOM 0 HB2 LEU A 74 9.797 -17.824 -19.988 1.00 60.44 H new ATOM 0 HB3 LEU A 74 10.190 -17.909 -21.694 1.00 60.44 H new ATOM 0 HG LEU A 74 9.754 -15.260 -20.312 1.00 71.34 H new ATOM 0 HD11 LEU A 74 12.194 -15.131 -19.997 1.00 53.42 H new ATOM 0 HD12 LEU A 74 11.476 -16.456 -19.051 1.00 53.42 H new ATOM 0 HD13 LEU A 74 12.351 -16.812 -20.559 1.00 53.42 H new ATOM 0 HD21 LEU A 74 11.187 -14.439 -22.141 1.00 53.34 H new ATOM 0 HD22 LEU A 74 11.305 -16.094 -22.786 1.00 53.34 H new ATOM 0 HD23 LEU A 74 9.733 -15.259 -22.759 1.00 53.34 H new ATOM 1207 N GLY A 78 0.475 -18.928 -18.692 1.00 61.12 N ATOM 1208 CA GLY A 78 -0.451 -19.064 -17.584 1.00 34.44 C ATOM 1209 C GLY A 78 -0.222 -18.024 -16.505 1.00 73.13 C ATOM 1210 O GLY A 78 -0.090 -18.360 -15.328 1.00 2.20 O ATOM 0 HA2 GLY A 78 -1.472 -18.979 -17.956 1.00 34.44 H new ATOM 0 HA3 GLY A 78 -0.351 -20.060 -17.152 1.00 34.44 H new ATOM 1214 N ILE A 79 -0.174 -16.759 -16.907 1.00 40.51 N ATOM 1215 CA ILE A 79 0.041 -15.666 -15.966 1.00 65.50 C ATOM 1216 C ILE A 79 -0.929 -15.752 -14.793 1.00 72.01 C ATOM 1217 O ILE A 79 -0.565 -15.468 -13.652 1.00 74.44 O ATOM 1218 CB ILE A 79 -0.116 -14.295 -16.649 1.00 70.23 C ATOM 1219 CG1 ILE A 79 0.848 -14.177 -17.832 1.00 14.52 C ATOM 1220 CG2 ILE A 79 0.124 -13.174 -15.649 1.00 31.41 C ATOM 1221 CD1 ILE A 79 0.752 -12.853 -18.558 1.00 65.23 C ATOM 0 H ILE A 79 -0.281 -16.465 -17.878 1.00 40.51 H new ATOM 0 HA ILE A 79 1.062 -15.763 -15.598 1.00 65.50 H new ATOM 0 HB ILE A 79 -1.135 -14.207 -17.025 1.00 70.23 H new ATOM 0 HG12 ILE A 79 1.869 -14.313 -17.474 1.00 14.52 H new ATOM 0 HG13 ILE A 79 0.647 -14.984 -18.536 1.00 14.52 H new ATOM 0 HG21 ILE A 79 0.009 -12.211 -16.147 1.00 31.41 H new ATOM 0 HG22 ILE A 79 -0.599 -13.250 -14.836 1.00 31.41 H new ATOM 0 HG23 ILE A 79 1.133 -13.256 -15.246 1.00 31.41 H new ATOM 0 HD11 ILE A 79 1.463 -12.839 -19.384 1.00 65.23 H new ATOM 0 HD12 ILE A 79 -0.258 -12.723 -18.946 1.00 65.23 H new ATOM 0 HD13 ILE A 79 0.982 -12.042 -17.867 1.00 65.23 H new ATOM 1233 N GLU A 80 -2.165 -16.147 -15.082 1.00 53.44 N ATOM 1234 CA GLU A 80 -3.188 -16.271 -14.051 1.00 11.55 C ATOM 1235 C GLU A 80 -2.745 -17.241 -12.959 1.00 73.03 C ATOM 1236 O GLU A 80 -3.041 -17.043 -11.782 1.00 14.04 O ATOM 1237 CB GLU A 80 -4.508 -16.743 -14.664 1.00 10.04 C ATOM 1238 CG GLU A 80 -5.229 -15.668 -15.459 1.00 11.31 C ATOM 1239 CD GLU A 80 -5.884 -14.627 -14.572 1.00 53.30 C ATOM 1240 OE1 GLU A 80 -5.608 -14.627 -13.354 1.00 63.11 O ATOM 1241 OE2 GLU A 80 -6.673 -13.812 -15.095 1.00 71.42 O ATOM 0 H GLU A 80 -2.482 -16.386 -16.022 1.00 53.44 H new ATOM 0 HA GLU A 80 -3.336 -15.289 -13.602 1.00 11.55 H new ATOM 0 HB2 GLU A 80 -4.312 -17.595 -15.315 1.00 10.04 H new ATOM 0 HB3 GLU A 80 -5.163 -17.095 -13.867 1.00 10.04 H new ATOM 0 HG2 GLU A 80 -4.520 -15.177 -16.126 1.00 11.31 H new ATOM 0 HG3 GLU A 80 -5.988 -16.134 -16.088 1.00 11.31 H new ATOM 1248 N GLU A 81 -2.035 -18.290 -13.361 1.00 61.34 N ATOM 1249 CA GLU A 81 -1.553 -19.292 -12.418 1.00 63.30 C ATOM 1250 C GLU A 81 -0.619 -18.664 -11.388 1.00 24.34 C ATOM 1251 O GLU A 81 -0.833 -18.787 -10.181 1.00 53.31 O ATOM 1252 CB GLU A 81 -0.828 -20.417 -13.160 1.00 75.24 C ATOM 1253 CG GLU A 81 -0.981 -21.778 -12.502 1.00 3.14 C ATOM 1254 CD GLU A 81 -0.257 -22.876 -13.256 1.00 43.24 C ATOM 1255 OE1 GLU A 81 -0.842 -23.424 -14.214 1.00 3.32 O ATOM 1256 OE2 GLU A 81 0.896 -23.187 -12.889 1.00 51.41 O ATOM 0 H GLU A 81 -1.781 -18.468 -14.333 1.00 61.34 H new ATOM 0 HA GLU A 81 -2.415 -19.707 -11.897 1.00 63.30 H new ATOM 0 HB2 GLU A 81 -1.208 -20.471 -14.180 1.00 75.24 H new ATOM 0 HB3 GLU A 81 0.232 -20.172 -13.227 1.00 75.24 H new ATOM 0 HG2 GLU A 81 -0.598 -21.729 -11.483 1.00 3.14 H new ATOM 0 HG3 GLU A 81 -2.040 -22.027 -12.433 1.00 3.14 H new ATOM 1263 N THR A 82 0.421 -17.991 -11.872 1.00 35.21 N ATOM 1264 CA THR A 82 1.389 -17.345 -10.995 1.00 31.42 C ATOM 1265 C THR A 82 0.758 -16.178 -10.244 1.00 30.41 C ATOM 1266 O THR A 82 0.924 -16.044 -9.031 1.00 42.14 O ATOM 1267 CB THR A 82 2.608 -16.834 -11.784 1.00 44.35 C ATOM 1268 OG1 THR A 82 2.874 -17.702 -12.892 1.00 2.40 O ATOM 1269 CG2 THR A 82 3.837 -16.753 -10.891 1.00 32.13 C ATOM 0 H THR A 82 0.614 -17.880 -12.867 1.00 35.21 H new ATOM 0 HA THR A 82 1.719 -18.098 -10.279 1.00 31.42 H new ATOM 0 HB THR A 82 2.380 -15.834 -12.153 1.00 44.35 H new ATOM 0 HG1 THR A 82 3.650 -17.369 -13.390 1.00 2.40 H new ATOM 0 HG21 THR A 82 4.685 -16.389 -11.471 1.00 32.13 H new ATOM 0 HG22 THR A 82 3.642 -16.069 -10.065 1.00 32.13 H new ATOM 0 HG23 THR A 82 4.065 -17.743 -10.496 1.00 32.13 H new ATOM 1277 N LYS A 83 0.032 -15.336 -10.971 1.00 62.03 N ATOM 1278 CA LYS A 83 -0.626 -14.180 -10.374 1.00 73.32 C ATOM 1279 C LYS A 83 -1.462 -14.594 -9.167 1.00 54.22 C ATOM 1280 O LYS A 83 -1.568 -13.852 -8.191 1.00 51.43 O ATOM 1281 CB LYS A 83 -1.514 -13.483 -11.408 1.00 4.33 C ATOM 1282 CG LYS A 83 -1.673 -11.992 -11.165 1.00 52.20 C ATOM 1283 CD LYS A 83 -0.551 -11.198 -11.812 1.00 63.23 C ATOM 1284 CE LYS A 83 0.467 -10.732 -10.783 1.00 45.41 C ATOM 1285 NZ LYS A 83 -0.145 -9.836 -9.764 1.00 11.43 N ATOM 0 H LYS A 83 -0.116 -15.433 -11.976 1.00 62.03 H new ATOM 0 HA LYS A 83 0.145 -13.486 -10.039 1.00 73.32 H new ATOM 0 HB2 LYS A 83 -1.092 -13.638 -12.401 1.00 4.33 H new ATOM 0 HB3 LYS A 83 -2.499 -13.951 -11.404 1.00 4.33 H new ATOM 0 HG2 LYS A 83 -2.632 -11.658 -11.562 1.00 52.20 H new ATOM 0 HG3 LYS A 83 -1.686 -11.797 -10.093 1.00 52.20 H new ATOM 0 HD2 LYS A 83 -0.055 -11.813 -12.563 1.00 63.23 H new ATOM 0 HD3 LYS A 83 -0.967 -10.334 -12.331 1.00 63.23 H new ATOM 0 HE2 LYS A 83 0.906 -11.598 -10.288 1.00 45.41 H new ATOM 0 HE3 LYS A 83 1.279 -10.208 -11.287 1.00 45.41 H new ATOM 0 HZ1 LYS A 83 0.573 -9.174 -9.408 1.00 11.43 H new ATOM 0 HZ2 LYS A 83 -0.925 -9.301 -10.196 1.00 11.43 H new ATOM 0 HZ3 LYS A 83 -0.511 -10.406 -8.975 1.00 11.43 H new ATOM 1299 N GLN A 84 -2.052 -15.782 -9.241 1.00 75.41 N ATOM 1300 CA GLN A 84 -2.878 -16.294 -8.153 1.00 51.34 C ATOM 1301 C GLN A 84 -2.058 -16.458 -6.878 1.00 63.43 C ATOM 1302 O GLN A 84 -2.559 -16.244 -5.775 1.00 52.12 O ATOM 1303 CB GLN A 84 -3.505 -17.632 -8.547 1.00 34.21 C ATOM 1304 CG GLN A 84 -4.798 -17.490 -9.334 1.00 60.32 C ATOM 1305 CD GLN A 84 -6.013 -17.339 -8.440 1.00 24.22 C ATOM 1306 OE1 GLN A 84 -6.798 -16.403 -8.593 1.00 21.25 O ATOM 1307 NE2 GLN A 84 -6.174 -18.262 -7.499 1.00 22.40 N ATOM 0 H GLN A 84 -1.974 -16.408 -10.042 1.00 75.41 H new ATOM 0 HA GLN A 84 -3.672 -15.572 -7.962 1.00 51.34 H new ATOM 0 HB2 GLN A 84 -2.788 -18.199 -9.141 1.00 34.21 H new ATOM 0 HB3 GLN A 84 -3.700 -18.212 -7.645 1.00 34.21 H new ATOM 0 HG2 GLN A 84 -4.725 -16.623 -9.991 1.00 60.32 H new ATOM 0 HG3 GLN A 84 -4.928 -18.364 -9.972 1.00 60.32 H new ATOM 0 HE21 GLN A 84 -5.498 -19.021 -7.408 1.00 22.40 H new ATOM 0 HE22 GLN A 84 -6.973 -18.212 -6.867 1.00 22.40 H new ATOM 1316 N GLN A 85 -0.795 -16.841 -7.038 1.00 41.23 N ATOM 1317 CA GLN A 85 0.094 -17.035 -5.899 1.00 61.20 C ATOM 1318 C GLN A 85 0.551 -15.696 -5.330 1.00 50.13 C ATOM 1319 O GLN A 85 0.433 -15.448 -4.130 1.00 2.20 O ATOM 1320 CB GLN A 85 1.309 -17.870 -6.309 1.00 53.55 C ATOM 1321 CG GLN A 85 0.946 -19.166 -7.016 1.00 52.53 C ATOM 1322 CD GLN A 85 -0.108 -19.961 -6.271 1.00 63.44 C ATOM 1323 OE1 GLN A 85 0.201 -20.696 -5.332 1.00 41.53 O ATOM 1324 NE2 GLN A 85 -1.361 -19.820 -6.687 1.00 41.31 N ATOM 0 H GLN A 85 -0.365 -17.023 -7.945 1.00 41.23 H new ATOM 0 HA GLN A 85 -0.460 -17.567 -5.126 1.00 61.20 H new ATOM 0 HB2 GLN A 85 1.945 -17.274 -6.964 1.00 53.55 H new ATOM 0 HB3 GLN A 85 1.896 -18.103 -5.421 1.00 53.55 H new ATOM 0 HG2 GLN A 85 0.584 -18.939 -8.019 1.00 52.53 H new ATOM 0 HG3 GLN A 85 1.842 -19.776 -7.131 1.00 52.53 H new ATOM 0 HE21 GLN A 85 -1.572 -19.200 -7.469 1.00 41.31 H new ATOM 0 HE22 GLN A 85 -2.113 -20.332 -6.224 1.00 41.31 H new ATOM 1333 N ILE A 86 1.073 -14.837 -6.199 1.00 53.24 N ATOM 1334 CA ILE A 86 1.546 -13.523 -5.783 1.00 44.32 C ATOM 1335 C ILE A 86 0.415 -12.695 -5.184 1.00 54.55 C ATOM 1336 O ILE A 86 0.563 -12.101 -4.115 1.00 70.41 O ATOM 1337 CB ILE A 86 2.166 -12.748 -6.961 1.00 62.55 C ATOM 1338 CG1 ILE A 86 3.330 -13.539 -7.563 1.00 40.45 C ATOM 1339 CG2 ILE A 86 2.632 -11.374 -6.506 1.00 12.34 C ATOM 1340 CD1 ILE A 86 3.052 -14.056 -8.958 1.00 2.25 C ATOM 0 H ILE A 86 1.179 -15.028 -7.195 1.00 53.24 H new ATOM 0 HA ILE A 86 2.312 -13.690 -5.025 1.00 44.32 H new ATOM 0 HB ILE A 86 1.405 -12.615 -7.730 1.00 62.55 H new ATOM 0 HG12 ILE A 86 4.215 -12.904 -7.589 1.00 40.45 H new ATOM 0 HG13 ILE A 86 3.562 -14.382 -6.911 1.00 40.45 H new ATOM 0 HG21 ILE A 86 3.068 -10.840 -7.350 1.00 12.34 H new ATOM 0 HG22 ILE A 86 1.782 -10.811 -6.119 1.00 12.34 H new ATOM 0 HG23 ILE A 86 3.381 -11.485 -5.722 1.00 12.34 H new ATOM 0 HD11 ILE A 86 3.920 -14.607 -9.322 1.00 2.25 H new ATOM 0 HD12 ILE A 86 2.186 -14.718 -8.935 1.00 2.25 H new ATOM 0 HD13 ILE A 86 2.850 -13.217 -9.623 1.00 2.25 H new ATOM 1352 N LEU A 87 -0.717 -12.660 -5.879 1.00 41.45 N ATOM 1353 CA LEU A 87 -1.877 -11.905 -5.416 1.00 25.51 C ATOM 1354 C LEU A 87 -2.232 -12.280 -3.981 1.00 23.43 C ATOM 1355 O LEU A 87 -2.568 -11.419 -3.167 1.00 61.20 O ATOM 1356 CB LEU A 87 -3.074 -12.159 -6.333 1.00 34.42 C ATOM 1357 CG LEU A 87 -4.438 -11.732 -5.789 1.00 72.11 C ATOM 1358 CD1 LEU A 87 -4.507 -10.219 -5.649 1.00 22.43 C ATOM 1359 CD2 LEU A 87 -5.554 -12.237 -6.692 1.00 13.10 C ATOM 0 H LEU A 87 -0.856 -13.146 -6.765 1.00 41.45 H new ATOM 0 HA LEU A 87 -1.625 -10.845 -5.443 1.00 25.51 H new ATOM 0 HB2 LEU A 87 -2.902 -11.638 -7.275 1.00 34.42 H new ATOM 0 HB3 LEU A 87 -3.113 -13.224 -6.560 1.00 34.42 H new ATOM 0 HG LEU A 87 -4.568 -12.174 -4.801 1.00 72.11 H new ATOM 0 HD11 LEU A 87 -5.485 -9.934 -5.261 1.00 22.43 H new ATOM 0 HD12 LEU A 87 -3.731 -9.881 -4.962 1.00 22.43 H new ATOM 0 HD13 LEU A 87 -4.355 -9.756 -6.624 1.00 22.43 H new ATOM 0 HD21 LEU A 87 -6.517 -11.924 -6.290 1.00 13.10 H new ATOM 0 HD22 LEU A 87 -5.427 -11.824 -7.693 1.00 13.10 H new ATOM 0 HD23 LEU A 87 -5.518 -13.325 -6.741 1.00 13.10 H new ATOM 1371 N THR A 88 -2.153 -13.572 -3.675 1.00 1.21 N ATOM 1372 CA THR A 88 -2.465 -14.061 -2.338 1.00 63.10 C ATOM 1373 C THR A 88 -1.728 -13.258 -1.273 1.00 4.33 C ATOM 1374 O THR A 88 -2.221 -13.089 -0.158 1.00 22.50 O ATOM 1375 CB THR A 88 -2.100 -15.550 -2.186 1.00 35.04 C ATOM 1376 OG1 THR A 88 -2.846 -16.335 -3.123 1.00 20.23 O ATOM 1377 CG2 THR A 88 -2.384 -16.034 -0.772 1.00 21.43 C ATOM 0 H THR A 88 -1.876 -14.298 -4.335 1.00 1.21 H new ATOM 0 HA THR A 88 -3.540 -13.941 -2.200 1.00 63.10 H new ATOM 0 HB THR A 88 -1.034 -15.663 -2.385 1.00 35.04 H new ATOM 0 HG1 THR A 88 -2.453 -16.239 -4.016 1.00 20.23 H new ATOM 0 HG21 THR A 88 -2.119 -17.088 -0.688 1.00 21.43 H new ATOM 0 HG22 THR A 88 -1.793 -15.454 -0.063 1.00 21.43 H new ATOM 0 HG23 THR A 88 -3.444 -15.908 -0.550 1.00 21.43 H new ATOM 1385 N GLU A 89 -0.545 -12.763 -1.624 1.00 25.43 N ATOM 1386 CA GLU A 89 0.260 -11.977 -0.696 1.00 31.23 C ATOM 1387 C GLU A 89 0.093 -10.484 -0.962 1.00 4.24 C ATOM 1388 O GLU A 89 -0.161 -9.703 -0.044 1.00 3.33 O ATOM 1389 CB GLU A 89 1.736 -12.365 -0.810 1.00 74.40 C ATOM 1390 CG GLU A 89 1.978 -13.864 -0.738 1.00 42.45 C ATOM 1391 CD GLU A 89 3.351 -14.207 -0.193 1.00 51.04 C ATOM 1392 OE1 GLU A 89 4.229 -14.590 -0.994 1.00 70.40 O ATOM 1393 OE2 GLU A 89 3.547 -14.092 1.035 1.00 54.33 O ATOM 0 H GLU A 89 -0.123 -12.892 -2.544 1.00 25.43 H new ATOM 0 HA GLU A 89 -0.086 -12.190 0.315 1.00 31.23 H new ATOM 0 HB2 GLU A 89 2.131 -11.986 -1.753 1.00 74.40 H new ATOM 0 HB3 GLU A 89 2.294 -11.876 -0.011 1.00 74.40 H new ATOM 0 HG2 GLU A 89 1.216 -14.322 -0.107 1.00 42.45 H new ATOM 0 HG3 GLU A 89 1.868 -14.294 -1.733 1.00 42.45 H new ATOM 1400 N LEU A 90 0.239 -10.094 -2.223 1.00 50.11 N ATOM 1401 CA LEU A 90 0.105 -8.694 -2.611 1.00 65.05 C ATOM 1402 C LEU A 90 -1.200 -8.105 -2.086 1.00 22.21 C ATOM 1403 O LEU A 90 -1.217 -7.005 -1.535 1.00 33.13 O ATOM 1404 CB LEU A 90 0.163 -8.559 -4.134 1.00 74.11 C ATOM 1405 CG LEU A 90 1.507 -8.125 -4.719 1.00 53.55 C ATOM 1406 CD1 LEU A 90 1.783 -6.664 -4.396 1.00 75.35 C ATOM 1407 CD2 LEU A 90 2.628 -9.010 -4.195 1.00 51.31 C ATOM 0 H LEU A 90 0.450 -10.727 -2.994 1.00 50.11 H new ATOM 0 HA LEU A 90 0.934 -8.140 -2.171 1.00 65.05 H new ATOM 0 HB2 LEU A 90 -0.109 -9.518 -4.574 1.00 74.11 H new ATOM 0 HB3 LEU A 90 -0.595 -7.839 -4.444 1.00 74.11 H new ATOM 0 HG LEU A 90 1.462 -8.234 -5.803 1.00 53.55 H new ATOM 0 HD11 LEU A 90 2.744 -6.373 -4.820 1.00 75.35 H new ATOM 0 HD12 LEU A 90 0.995 -6.042 -4.821 1.00 75.35 H new ATOM 0 HD13 LEU A 90 1.808 -6.529 -3.315 1.00 75.35 H new ATOM 0 HD21 LEU A 90 3.577 -8.686 -4.622 1.00 51.31 H new ATOM 0 HD22 LEU A 90 2.674 -8.934 -3.109 1.00 51.31 H new ATOM 0 HD23 LEU A 90 2.437 -10.045 -4.478 1.00 51.31 H new ATOM 1419 N GLN A 91 -2.289 -8.846 -2.259 1.00 74.40 N ATOM 1420 CA GLN A 91 -3.599 -8.398 -1.801 1.00 3.35 C ATOM 1421 C GLN A 91 -3.715 -8.518 -0.285 1.00 34.14 C ATOM 1422 O GLN A 91 -4.158 -7.589 0.391 1.00 51.33 O ATOM 1423 CB GLN A 91 -4.705 -9.211 -2.475 1.00 40.42 C ATOM 1424 CG GLN A 91 -6.041 -9.135 -1.755 1.00 13.14 C ATOM 1425 CD GLN A 91 -6.977 -10.263 -2.141 1.00 34.11 C ATOM 1426 OE1 GLN A 91 -8.136 -10.033 -2.488 1.00 41.45 O ATOM 1427 NE2 GLN A 91 -6.479 -11.493 -2.082 1.00 40.41 N ATOM 0 H GLN A 91 -2.291 -9.759 -2.713 1.00 74.40 H new ATOM 0 HA GLN A 91 -3.712 -7.349 -2.074 1.00 3.35 H new ATOM 0 HB2 GLN A 91 -4.832 -8.857 -3.498 1.00 40.42 H new ATOM 0 HB3 GLN A 91 -4.393 -10.254 -2.535 1.00 40.42 H new ATOM 0 HG2 GLN A 91 -5.871 -9.161 -0.679 1.00 13.14 H new ATOM 0 HG3 GLN A 91 -6.517 -8.180 -1.980 1.00 13.14 H new ATOM 0 HE21 GLN A 91 -5.513 -11.639 -1.789 1.00 40.41 H new ATOM 0 HE22 GLN A 91 -7.063 -12.292 -2.330 1.00 40.41 H new ATOM 1436 N LYS A 92 -3.316 -9.669 0.245 1.00 63.31 N ATOM 1437 CA LYS A 92 -3.374 -9.912 1.681 1.00 31.54 C ATOM 1438 C LYS A 92 -2.703 -8.780 2.453 1.00 73.25 C ATOM 1439 O LYS A 92 -1.486 -8.609 2.388 1.00 3.45 O ATOM 1440 CB LYS A 92 -2.701 -11.244 2.022 1.00 72.22 C ATOM 1441 CG LYS A 92 -2.539 -11.480 3.513 1.00 10.14 C ATOM 1442 CD LYS A 92 -1.992 -12.868 3.802 1.00 13.15 C ATOM 1443 CE LYS A 92 -3.101 -13.908 3.834 1.00 34.23 C ATOM 1444 NZ LYS A 92 -2.562 -15.290 3.969 1.00 52.25 N ATOM 0 H LYS A 92 -2.948 -10.449 -0.300 1.00 63.31 H new ATOM 0 HA LYS A 92 -4.423 -9.956 1.974 1.00 31.54 H new ATOM 0 HB2 LYS A 92 -3.288 -12.058 1.596 1.00 72.22 H new ATOM 0 HB3 LYS A 92 -1.720 -11.277 1.549 1.00 72.22 H new ATOM 0 HG2 LYS A 92 -1.868 -10.729 3.930 1.00 10.14 H new ATOM 0 HG3 LYS A 92 -3.502 -11.357 4.008 1.00 10.14 H new ATOM 0 HD2 LYS A 92 -1.260 -13.138 3.040 1.00 13.15 H new ATOM 0 HD3 LYS A 92 -1.469 -12.862 4.758 1.00 13.15 H new ATOM 0 HE2 LYS A 92 -3.773 -13.697 4.666 1.00 34.23 H new ATOM 0 HE3 LYS A 92 -3.692 -13.836 2.921 1.00 34.23 H new ATOM 0 HZ1 LYS A 92 -3.349 -15.969 3.987 1.00 52.25 H new ATOM 0 HZ2 LYS A 92 -1.941 -15.501 3.162 1.00 52.25 H new ATOM 0 HZ3 LYS A 92 -2.019 -15.366 4.853 1.00 52.25 H new