USER MOD reduce.3.24.130724 H: found=0, std=0, add=507, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 506 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 58 SER OG : rot 140:sc= 1.02 USER MOD Set 1.2: A 62 LYS NZ :NH3+ 177:sc= 1.22 (180deg=0) USER MOD Set 2.1: A 15 CYS SG : rot -14:sc= -5.99! USER MOD Set 2.2: A 18 CYS SG : rot 130:sc= 0.773 USER MOD Set 3.1: A 7 SER OG : rot 180:sc= -0.0841 USER MOD Set 3.2: A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0.704 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 180:sc= -0.0339 USER MOD Single : A 13 MET CE :methyl -178:sc=-0.00561 (180deg=-0.011) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -0.0155 X(o=-0.015,f=-0.4) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 ASN :FLIP amide:sc= 0.0226 F(o=-0.82,f=0.023) USER MOD Single : A 34 GLN : amide:sc= -0.0242 X(o=-0.024,f=0) USER MOD Single : A 36 GLN : amide:sc= -0.0837 X(o=-0.084,f=-0.071) USER MOD Single : A 41 THR OG1 : rot -160:sc= 0.00716 USER MOD Single : A 50 ASN : amide:sc= -0.61 X(o=-0.61,f=-0.58) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 TYR OH : rot 30:sc= -0.0303 USER MOD Single : A 66 SER OG : rot -57:sc= 0.251 USER MOD ----------------------------------------------------------------- ATOM 33 N ARG A 5 2.155 -2.767 11.844 1.00 0.44 N ATOM 34 CA ARG A 5 2.704 -2.434 10.553 1.00 0.41 C ATOM 35 C ARG A 5 2.555 -3.655 9.646 1.00 0.39 C ATOM 36 O ARG A 5 2.612 -4.796 10.095 1.00 0.82 O ATOM 37 CB ARG A 5 4.149 -1.945 10.743 1.00 0.59 C ATOM 38 CG ARG A 5 4.901 -1.704 9.429 1.00 0.93 C ATOM 39 CD ARG A 5 5.698 -2.928 8.940 1.00 0.50 C ATOM 40 NE ARG A 5 6.757 -3.331 9.888 1.00 1.15 N ATOM 41 CZ ARG A 5 8.012 -2.863 9.928 1.00 1.39 C ATOM 42 NH1 ARG A 5 8.336 -1.775 9.222 1.00 2.56 N ATOM 43 NH2 ARG A 5 8.933 -3.487 10.664 1.00 1.90 N ATOM 0 HA ARG A 5 2.174 -1.617 10.064 1.00 0.41 H new ATOM 0 HB2 ARG A 5 4.136 -1.019 11.318 1.00 0.59 H new ATOM 0 HB3 ARG A 5 4.696 -2.680 11.334 1.00 0.59 H new ATOM 0 HG2 ARG A 5 4.186 -1.415 8.659 1.00 0.93 H new ATOM 0 HG3 ARG A 5 5.584 -0.865 9.560 1.00 0.93 H new ATOM 0 HD2 ARG A 5 5.015 -3.764 8.786 1.00 0.50 H new ATOM 0 HD3 ARG A 5 6.148 -2.702 7.973 1.00 0.50 H new ATOM 0 HE ARG A 5 6.508 -4.036 10.582 1.00 1.15 H new ATOM 0 HH11 ARG A 5 7.629 -1.305 8.656 1.00 2.56 H new ATOM 0 HH12 ARG A 5 9.290 -1.415 9.249 1.00 2.56 H new ATOM 0 HH21 ARG A 5 8.682 -4.320 11.196 1.00 1.90 H new ATOM 0 HH22 ARG A 5 9.888 -3.131 10.695 1.00 1.90 H new ATOM 57 N TYR A 6 2.357 -3.427 8.357 1.00 0.31 N ATOM 58 CA TYR A 6 2.309 -4.450 7.327 1.00 0.22 C ATOM 59 C TYR A 6 3.031 -3.893 6.104 1.00 0.27 C ATOM 60 O TYR A 6 2.892 -2.698 5.858 1.00 0.66 O ATOM 61 CB TYR A 6 0.844 -4.698 6.978 1.00 0.30 C ATOM 62 CG TYR A 6 -0.083 -5.056 8.118 1.00 0.43 C ATOM 63 CD1 TYR A 6 0.215 -6.145 8.956 1.00 2.00 C ATOM 64 CD2 TYR A 6 -1.350 -4.451 8.183 1.00 1.64 C ATOM 65 CE1 TYR A 6 -0.767 -6.657 9.818 1.00 2.10 C ATOM 66 CE2 TYR A 6 -2.338 -4.980 9.025 1.00 1.64 C ATOM 67 CZ TYR A 6 -2.050 -6.083 9.841 1.00 0.77 C ATOM 68 OH TYR A 6 -3.090 -6.795 10.358 1.00 1.09 O ATOM 0 H TYR A 6 2.220 -2.487 7.986 1.00 0.31 H new ATOM 0 HA TYR A 6 2.774 -5.379 7.656 1.00 0.22 H new ATOM 0 HB2 TYR A 6 0.455 -3.802 6.494 1.00 0.30 H new ATOM 0 HB3 TYR A 6 0.802 -5.502 6.243 1.00 0.30 H new ATOM 0 HD1 TYR A 6 1.200 -6.588 8.936 1.00 2.00 H new ATOM 0 HD2 TYR A 6 -1.562 -3.578 7.584 1.00 1.64 H new ATOM 0 HE1 TYR A 6 -0.537 -7.492 10.464 1.00 2.10 H new ATOM 0 HE2 TYR A 6 -3.323 -4.537 9.045 1.00 1.64 H new ATOM 0 HH TYR A 6 -3.911 -6.262 10.303 1.00 1.09 H new ATOM 78 N SER A 7 3.777 -4.707 5.345 1.00 0.27 N ATOM 79 CA SER A 7 4.367 -4.261 4.076 1.00 0.17 C ATOM 80 C SER A 7 3.790 -5.000 2.868 1.00 0.22 C ATOM 81 O SER A 7 3.209 -6.076 3.001 1.00 0.37 O ATOM 82 CB SER A 7 5.900 -4.397 4.111 1.00 0.40 C ATOM 83 OG SER A 7 6.447 -3.757 5.250 1.00 1.47 O ATOM 0 H SER A 7 3.986 -5.676 5.587 1.00 0.27 H new ATOM 0 HA SER A 7 4.106 -3.209 3.960 1.00 0.17 H new ATOM 0 HB2 SER A 7 6.174 -5.452 4.117 1.00 0.40 H new ATOM 0 HB3 SER A 7 6.327 -3.963 3.207 1.00 0.40 H new ATOM 0 HG SER A 7 7.421 -3.861 5.247 1.00 1.47 H new ATOM 89 N TRP A 8 3.972 -4.409 1.683 1.00 0.20 N ATOM 90 CA TRP A 8 3.786 -5.081 0.403 1.00 0.22 C ATOM 91 C TRP A 8 5.004 -4.815 -0.468 1.00 0.23 C ATOM 92 O TRP A 8 5.551 -3.711 -0.421 1.00 0.26 O ATOM 93 CB TRP A 8 2.483 -4.659 -0.287 1.00 0.26 C ATOM 94 CG TRP A 8 1.286 -5.076 0.503 1.00 0.30 C ATOM 95 CD1 TRP A 8 0.823 -6.338 0.519 1.00 0.36 C ATOM 96 CD2 TRP A 8 0.609 -4.468 1.627 1.00 0.27 C ATOM 97 NE1 TRP A 8 0.205 -6.582 1.742 1.00 0.35 N ATOM 98 CE2 TRP A 8 0.382 -5.479 2.576 1.00 0.32 C ATOM 99 CE3 TRP A 8 0.203 -3.209 2.085 1.00 0.26 C ATOM 100 CZ2 TRP A 8 0.225 -5.055 3.924 1.00 0.38 C ATOM 101 CZ3 TRP A 8 -0.854 -3.215 3.034 1.00 0.34 C ATOM 102 CH2 TRP A 8 -0.675 -4.010 4.141 1.00 0.37 C ATOM 0 H TRP A 8 4.257 -3.434 1.590 1.00 0.20 H new ATOM 0 HA TRP A 8 3.693 -6.154 0.573 1.00 0.22 H new ATOM 0 HB2 TRP A 8 2.474 -3.577 -0.420 1.00 0.26 H new ATOM 0 HB3 TRP A 8 2.436 -5.102 -1.282 1.00 0.26 H new ATOM 0 HD1 TRP A 8 0.916 -7.049 -0.288 1.00 0.36 H new ATOM 0 HE1 TRP A 8 -0.298 -7.434 1.989 1.00 0.35 H new ATOM 0 HE3 TRP A 8 0.663 -2.295 1.740 1.00 0.26 H new ATOM 0 HZ2 TRP A 8 0.771 -5.515 4.734 1.00 0.38 H new ATOM 0 HZ3 TRP A 8 -1.749 -2.627 2.893 1.00 0.34 H new ATOM 0 HH2 TRP A 8 -1.179 -3.843 5.082 1.00 0.37 H new ATOM 113 N LYS A 9 5.402 -5.813 -1.260 1.00 0.33 N ATOM 114 CA LYS A 9 6.480 -5.692 -2.233 1.00 0.40 C ATOM 115 C LYS A 9 5.797 -5.611 -3.590 1.00 0.48 C ATOM 116 O LYS A 9 4.830 -6.339 -3.802 1.00 0.54 O ATOM 117 CB LYS A 9 7.446 -6.886 -2.132 1.00 0.51 C ATOM 118 CG LYS A 9 6.736 -8.246 -2.221 1.00 0.86 C ATOM 119 CD LYS A 9 7.687 -9.448 -2.203 1.00 0.76 C ATOM 120 CE LYS A 9 8.678 -9.415 -3.376 1.00 1.13 C ATOM 121 NZ LYS A 9 9.082 -10.770 -3.799 1.00 2.13 N ATOM 0 H LYS A 9 4.976 -6.739 -1.240 1.00 0.33 H new ATOM 0 HA LYS A 9 7.095 -4.809 -2.059 1.00 0.40 H new ATOM 0 HB2 LYS A 9 8.185 -6.816 -2.930 1.00 0.51 H new ATOM 0 HB3 LYS A 9 7.989 -6.827 -1.189 1.00 0.51 H new ATOM 0 HG2 LYS A 9 6.038 -8.335 -1.388 1.00 0.86 H new ATOM 0 HG3 LYS A 9 6.145 -8.277 -3.137 1.00 0.86 H new ATOM 0 HD2 LYS A 9 8.238 -9.460 -1.263 1.00 0.76 H new ATOM 0 HD3 LYS A 9 7.107 -10.370 -2.244 1.00 0.76 H new ATOM 0 HE2 LYS A 9 8.225 -8.893 -4.218 1.00 1.13 H new ATOM 0 HE3 LYS A 9 9.562 -8.847 -3.087 1.00 1.13 H new ATOM 0 HZ1 LYS A 9 9.751 -10.701 -4.592 1.00 2.13 H new ATOM 0 HZ2 LYS A 9 9.538 -11.260 -3.003 1.00 2.13 H new ATOM 0 HZ3 LYS A 9 8.242 -11.305 -4.100 1.00 2.13 H new ATOM 135 N VAL A 10 6.244 -4.715 -4.466 1.00 0.70 N ATOM 136 CA VAL A 10 5.598 -4.422 -5.740 1.00 0.86 C ATOM 137 C VAL A 10 6.600 -4.595 -6.886 1.00 1.18 C ATOM 138 O VAL A 10 7.724 -5.029 -6.659 1.00 2.26 O ATOM 139 CB VAL A 10 4.919 -3.039 -5.620 1.00 0.93 C ATOM 140 CG1 VAL A 10 5.912 -1.875 -5.560 1.00 1.75 C ATOM 141 CG2 VAL A 10 3.837 -2.782 -6.668 1.00 1.73 C ATOM 0 H VAL A 10 7.085 -4.160 -4.305 1.00 0.70 H new ATOM 0 HA VAL A 10 4.802 -5.125 -5.986 1.00 0.86 H new ATOM 0 HB VAL A 10 4.413 -3.084 -4.655 1.00 0.93 H new ATOM 0 HG11 VAL A 10 5.366 -0.935 -5.476 1.00 1.75 H new ATOM 0 HG12 VAL A 10 6.562 -1.996 -4.693 1.00 1.75 H new ATOM 0 HG13 VAL A 10 6.516 -1.864 -6.468 1.00 1.75 H new ATOM 0 HG21 VAL A 10 3.410 -1.791 -6.515 1.00 1.73 H new ATOM 0 HG22 VAL A 10 4.275 -2.839 -7.665 1.00 1.73 H new ATOM 0 HG23 VAL A 10 3.053 -3.533 -6.573 1.00 1.73 H new ATOM 151 N SER A 11 6.178 -4.321 -8.122 1.00 0.63 N ATOM 152 CA SER A 11 7.047 -4.226 -9.290 1.00 0.68 C ATOM 153 C SER A 11 6.650 -2.990 -10.106 1.00 0.67 C ATOM 154 O SER A 11 6.572 -3.026 -11.332 1.00 1.39 O ATOM 155 CB SER A 11 6.943 -5.525 -10.094 1.00 0.90 C ATOM 156 OG SER A 11 5.583 -5.871 -10.297 1.00 2.71 O ATOM 0 H SER A 11 5.196 -4.155 -8.341 1.00 0.63 H new ATOM 0 HA SER A 11 8.091 -4.105 -9.000 1.00 0.68 H new ATOM 0 HB2 SER A 11 7.442 -5.406 -11.056 1.00 0.90 H new ATOM 0 HB3 SER A 11 7.455 -6.329 -9.566 1.00 0.90 H new ATOM 0 HG SER A 11 5.530 -6.702 -10.814 1.00 2.71 H new ATOM 162 N GLY A 12 6.350 -1.902 -9.396 1.00 0.66 N ATOM 163 CA GLY A 12 5.903 -0.636 -9.947 1.00 0.85 C ATOM 164 C GLY A 12 6.300 0.471 -8.974 1.00 1.35 C ATOM 165 O GLY A 12 7.438 0.493 -8.518 1.00 3.12 O ATOM 0 H GLY A 12 6.417 -1.885 -8.378 1.00 0.66 H new ATOM 0 HA2 GLY A 12 6.356 -0.465 -10.924 1.00 0.85 H new ATOM 0 HA3 GLY A 12 4.823 -0.645 -10.094 1.00 0.85 H new ATOM 169 N MET A 13 5.356 1.352 -8.624 1.00 0.52 N ATOM 170 CA MET A 13 5.594 2.531 -7.796 1.00 0.52 C ATOM 171 C MET A 13 6.885 3.267 -8.182 1.00 0.48 C ATOM 172 O MET A 13 7.899 3.213 -7.485 1.00 0.77 O ATOM 173 CB MET A 13 5.539 2.174 -6.307 1.00 0.61 C ATOM 174 CG MET A 13 4.112 1.943 -5.812 1.00 1.21 C ATOM 175 SD MET A 13 3.870 2.342 -4.064 1.00 1.80 S ATOM 176 CE MET A 13 5.052 1.241 -3.259 1.00 2.38 C ATOM 0 H MET A 13 4.384 1.259 -8.918 1.00 0.52 H new ATOM 0 HA MET A 13 4.786 3.237 -7.989 1.00 0.52 H new ATOM 0 HB2 MET A 13 6.131 1.276 -6.130 1.00 0.61 H new ATOM 0 HB3 MET A 13 5.996 2.976 -5.727 1.00 0.61 H new ATOM 0 HG2 MET A 13 3.428 2.545 -6.410 1.00 1.21 H new ATOM 0 HG3 MET A 13 3.845 0.899 -5.977 1.00 1.21 H new ATOM 0 HE1 MET A 13 4.981 1.359 -2.178 1.00 2.38 H new ATOM 0 HE2 MET A 13 4.828 0.208 -3.527 1.00 2.38 H new ATOM 0 HE3 MET A 13 6.062 1.490 -3.586 1.00 2.38 H new ATOM 186 N ASP A 14 6.806 3.999 -9.293 1.00 0.38 N ATOM 187 CA ASP A 14 7.914 4.659 -9.965 1.00 0.44 C ATOM 188 C ASP A 14 7.948 6.184 -9.747 1.00 0.43 C ATOM 189 O ASP A 14 9.001 6.784 -9.956 1.00 0.50 O ATOM 190 CB ASP A 14 7.776 4.350 -11.460 1.00 0.58 C ATOM 191 CG ASP A 14 6.436 4.850 -11.977 1.00 0.66 C ATOM 192 OD1 ASP A 14 5.396 4.275 -11.587 1.00 1.95 O ATOM 193 OD2 ASP A 14 6.425 5.881 -12.669 1.00 1.59 O ATOM 0 H ASP A 14 5.918 4.153 -9.770 1.00 0.38 H new ATOM 0 HA ASP A 14 8.848 4.283 -9.547 1.00 0.44 H new ATOM 0 HB2 ASP A 14 8.587 4.823 -12.013 1.00 0.58 H new ATOM 0 HB3 ASP A 14 7.861 3.276 -11.626 1.00 0.58 H new ATOM 198 N CYS A 15 6.836 6.812 -9.333 1.00 0.41 N ATOM 199 CA CYS A 15 6.692 8.266 -9.268 1.00 0.39 C ATOM 200 C CYS A 15 6.085 8.683 -7.930 1.00 0.33 C ATOM 201 O CYS A 15 5.337 7.924 -7.317 1.00 0.32 O ATOM 202 CB CYS A 15 5.780 8.798 -10.390 1.00 0.43 C ATOM 203 SG CYS A 15 5.887 7.888 -11.957 1.00 0.60 S ATOM 0 H CYS A 15 6.001 6.311 -9.030 1.00 0.41 H new ATOM 0 HA CYS A 15 7.691 8.687 -9.384 1.00 0.39 H new ATOM 0 HB2 CYS A 15 4.747 8.773 -10.042 1.00 0.43 H new ATOM 0 HB3 CYS A 15 6.028 9.843 -10.576 1.00 0.43 H new ATOM 0 HG CYS A 15 6.937 7.121 -11.943 1.00 0.60 H new ATOM 208 N ALA A 16 6.324 9.935 -7.531 1.00 0.32 N ATOM 209 CA ALA A 16 5.721 10.524 -6.342 1.00 0.29 C ATOM 210 C ALA A 16 4.216 10.737 -6.526 1.00 0.24 C ATOM 211 O ALA A 16 3.452 10.628 -5.572 1.00 0.26 O ATOM 212 CB ALA A 16 6.411 11.852 -6.017 1.00 0.34 C ATOM 0 H ALA A 16 6.947 10.570 -8.031 1.00 0.32 H new ATOM 0 HA ALA A 16 5.857 9.832 -5.511 1.00 0.29 H new ATOM 0 HB1 ALA A 16 5.958 12.289 -5.128 1.00 0.34 H new ATOM 0 HB2 ALA A 16 7.471 11.676 -5.835 1.00 0.34 H new ATOM 0 HB3 ALA A 16 6.296 12.537 -6.857 1.00 0.34 H new ATOM 218 N ALA A 17 3.775 11.064 -7.745 1.00 0.24 N ATOM 219 CA ALA A 17 2.351 11.199 -8.035 1.00 0.25 C ATOM 220 C ALA A 17 1.658 9.853 -7.820 1.00 0.28 C ATOM 221 O ALA A 17 0.666 9.763 -7.096 1.00 0.31 O ATOM 222 CB ALA A 17 2.158 11.706 -9.467 1.00 0.28 C ATOM 0 H ALA A 17 4.386 11.239 -8.543 1.00 0.24 H new ATOM 0 HA ALA A 17 1.901 11.927 -7.359 1.00 0.25 H new ATOM 0 HB1 ALA A 17 1.093 11.805 -9.678 1.00 0.28 H new ATOM 0 HB2 ALA A 17 2.641 12.677 -9.578 1.00 0.28 H new ATOM 0 HB3 ALA A 17 2.602 10.998 -10.167 1.00 0.28 H new ATOM 228 N CYS A 18 2.220 8.814 -8.443 1.00 0.30 N ATOM 229 CA CYS A 18 1.819 7.431 -8.270 1.00 0.30 C ATOM 230 C CYS A 18 1.767 7.116 -6.776 1.00 0.27 C ATOM 231 O CYS A 18 0.709 6.763 -6.267 1.00 0.31 O ATOM 232 CB CYS A 18 2.779 6.514 -9.044 1.00 0.36 C ATOM 233 SG CYS A 18 2.800 7.000 -10.798 1.00 0.47 S ATOM 0 H CYS A 18 2.991 8.925 -9.101 1.00 0.30 H new ATOM 0 HA CYS A 18 0.823 7.258 -8.678 1.00 0.30 H new ATOM 0 HB2 CYS A 18 3.783 6.583 -8.624 1.00 0.36 H new ATOM 0 HB3 CYS A 18 2.464 5.475 -8.947 1.00 0.36 H new ATOM 0 HG CYS A 18 4.030 7.137 -11.196 1.00 0.47 H new ATOM 238 N ALA A 19 2.882 7.313 -6.063 1.00 0.22 N ATOM 239 CA ALA A 19 2.954 7.145 -4.618 1.00 0.22 C ATOM 240 C ALA A 19 1.756 7.801 -3.930 1.00 0.21 C ATOM 241 O ALA A 19 0.987 7.126 -3.251 1.00 0.24 O ATOM 242 CB ALA A 19 4.278 7.707 -4.090 1.00 0.25 C ATOM 0 H ALA A 19 3.767 7.597 -6.484 1.00 0.22 H new ATOM 0 HA ALA A 19 2.917 6.080 -4.387 1.00 0.22 H new ATOM 0 HB1 ALA A 19 4.323 7.577 -3.009 1.00 0.25 H new ATOM 0 HB2 ALA A 19 5.109 7.176 -4.554 1.00 0.25 H new ATOM 0 HB3 ALA A 19 4.345 8.768 -4.331 1.00 0.25 H new ATOM 248 N ARG A 20 1.559 9.107 -4.122 1.00 0.25 N ATOM 249 CA ARG A 20 0.486 9.812 -3.439 1.00 0.32 C ATOM 250 C ARG A 20 -0.884 9.206 -3.767 1.00 0.33 C ATOM 251 O ARG A 20 -1.749 9.089 -2.898 1.00 0.37 O ATOM 252 CB ARG A 20 0.530 11.318 -3.710 1.00 0.45 C ATOM 253 CG ARG A 20 0.391 12.054 -2.372 1.00 0.83 C ATOM 254 CD ARG A 20 0.248 13.568 -2.541 1.00 0.75 C ATOM 255 NE ARG A 20 1.516 14.177 -2.972 1.00 2.28 N ATOM 256 CZ ARG A 20 1.692 15.487 -3.207 1.00 3.35 C ATOM 257 NH1 ARG A 20 0.647 16.319 -3.131 1.00 3.02 N ATOM 258 NH2 ARG A 20 2.905 15.959 -3.510 1.00 5.26 N ATOM 0 H ARG A 20 2.125 9.688 -4.740 1.00 0.25 H new ATOM 0 HA ARG A 20 0.644 9.683 -2.368 1.00 0.32 H new ATOM 0 HB2 ARG A 20 1.467 11.589 -4.196 1.00 0.45 H new ATOM 0 HB3 ARG A 20 -0.275 11.605 -4.387 1.00 0.45 H new ATOM 0 HG2 ARG A 20 -0.478 11.669 -1.839 1.00 0.83 H new ATOM 0 HG3 ARG A 20 1.263 11.843 -1.754 1.00 0.83 H new ATOM 0 HD2 ARG A 20 -0.529 13.783 -3.274 1.00 0.75 H new ATOM 0 HD3 ARG A 20 -0.071 14.013 -1.599 1.00 0.75 H new ATOM 0 HE ARG A 20 2.318 13.560 -3.101 1.00 2.28 H new ATOM 0 HH11 ARG A 20 -0.277 15.957 -2.896 1.00 3.02 H new ATOM 0 HH12 ARG A 20 0.774 17.315 -3.308 1.00 3.02 H new ATOM 0 HH21 ARG A 20 3.701 15.323 -3.563 1.00 5.26 H new ATOM 0 HH22 ARG A 20 3.035 16.955 -3.688 1.00 5.26 H new ATOM 272 N LYS A 21 -1.095 8.810 -5.026 1.00 0.32 N ATOM 273 CA LYS A 21 -2.324 8.148 -5.406 1.00 0.36 C ATOM 274 C LYS A 21 -2.450 6.797 -4.706 1.00 0.27 C ATOM 275 O LYS A 21 -3.542 6.458 -4.265 1.00 0.28 O ATOM 276 CB LYS A 21 -2.410 7.997 -6.929 1.00 0.44 C ATOM 277 CG LYS A 21 -3.149 9.177 -7.583 1.00 1.00 C ATOM 278 CD LYS A 21 -3.914 8.759 -8.848 1.00 1.35 C ATOM 279 CE LYS A 21 -5.150 7.899 -8.512 1.00 1.98 C ATOM 280 NZ LYS A 21 -5.988 7.628 -9.699 1.00 2.65 N ATOM 0 H LYS A 21 -0.429 8.940 -5.787 1.00 0.32 H new ATOM 0 HA LYS A 21 -3.161 8.767 -5.085 1.00 0.36 H new ATOM 0 HB2 LYS A 21 -1.405 7.924 -7.344 1.00 0.44 H new ATOM 0 HB3 LYS A 21 -2.924 7.067 -7.173 1.00 0.44 H new ATOM 0 HG2 LYS A 21 -3.847 9.608 -6.865 1.00 1.00 H new ATOM 0 HG3 LYS A 21 -2.431 9.957 -7.837 1.00 1.00 H new ATOM 0 HD2 LYS A 21 -4.228 9.649 -9.394 1.00 1.35 H new ATOM 0 HD3 LYS A 21 -3.250 8.199 -9.506 1.00 1.35 H new ATOM 0 HE2 LYS A 21 -4.824 6.954 -8.077 1.00 1.98 H new ATOM 0 HE3 LYS A 21 -5.749 8.408 -7.757 1.00 1.98 H new ATOM 0 HZ1 LYS A 21 -6.805 7.047 -9.422 1.00 2.65 H new ATOM 0 HZ2 LYS A 21 -6.322 8.527 -10.100 1.00 2.65 H new ATOM 0 HZ3 LYS A 21 -5.427 7.118 -10.411 1.00 2.65 H new ATOM 294 N VAL A 22 -1.370 6.023 -4.603 1.00 0.20 N ATOM 295 CA VAL A 22 -1.399 4.732 -3.939 1.00 0.21 C ATOM 296 C VAL A 22 -1.767 4.954 -2.472 1.00 0.22 C ATOM 297 O VAL A 22 -2.733 4.363 -1.984 1.00 0.28 O ATOM 298 CB VAL A 22 -0.055 4.005 -4.127 1.00 0.24 C ATOM 299 CG1 VAL A 22 -0.007 2.701 -3.330 1.00 0.30 C ATOM 300 CG2 VAL A 22 0.149 3.610 -5.594 1.00 0.39 C ATOM 0 H VAL A 22 -0.456 6.277 -4.978 1.00 0.20 H new ATOM 0 HA VAL A 22 -2.154 4.081 -4.379 1.00 0.21 H new ATOM 0 HB VAL A 22 0.714 4.698 -3.786 1.00 0.24 H new ATOM 0 HG11 VAL A 22 0.956 2.214 -3.486 1.00 0.30 H new ATOM 0 HG12 VAL A 22 -0.136 2.918 -2.270 1.00 0.30 H new ATOM 0 HG13 VAL A 22 -0.806 2.040 -3.665 1.00 0.30 H new ATOM 0 HG21 VAL A 22 1.105 3.098 -5.703 1.00 0.39 H new ATOM 0 HG22 VAL A 22 -0.656 2.946 -5.907 1.00 0.39 H new ATOM 0 HG23 VAL A 22 0.144 4.505 -6.216 1.00 0.39 H new ATOM 310 N GLU A 23 -1.019 5.808 -1.764 1.00 0.24 N ATOM 311 CA GLU A 23 -1.272 6.001 -0.345 1.00 0.31 C ATOM 312 C GLU A 23 -2.692 6.516 -0.113 1.00 0.25 C ATOM 313 O GLU A 23 -3.376 6.039 0.786 1.00 0.29 O ATOM 314 CB GLU A 23 -0.193 6.833 0.357 1.00 0.48 C ATOM 315 CG GLU A 23 -0.218 8.306 -0.035 1.00 0.52 C ATOM 316 CD GLU A 23 1.004 9.079 0.450 1.00 0.95 C ATOM 317 OE1 GLU A 23 1.951 8.422 0.935 1.00 2.54 O ATOM 318 OE2 GLU A 23 0.960 10.320 0.318 1.00 1.28 O ATOM 0 H GLU A 23 -0.252 6.362 -2.146 1.00 0.24 H new ATOM 0 HA GLU A 23 -1.205 5.024 0.134 1.00 0.31 H new ATOM 0 HB2 GLU A 23 -0.324 6.749 1.436 1.00 0.48 H new ATOM 0 HB3 GLU A 23 0.787 6.418 0.121 1.00 0.48 H new ATOM 0 HG2 GLU A 23 -0.282 8.385 -1.120 1.00 0.52 H new ATOM 0 HG3 GLU A 23 -1.117 8.768 0.372 1.00 0.52 H new ATOM 325 N ASN A 24 -3.170 7.447 -0.944 1.00 0.28 N ATOM 326 CA ASN A 24 -4.554 7.901 -0.887 1.00 0.35 C ATOM 327 C ASN A 24 -5.525 6.737 -1.101 1.00 0.35 C ATOM 328 O ASN A 24 -6.433 6.526 -0.298 1.00 0.41 O ATOM 329 CB ASN A 24 -4.806 8.983 -1.939 1.00 0.41 C ATOM 330 CG ASN A 24 -6.220 9.540 -1.803 1.00 1.42 C ATOM 331 OD1 ASN A 24 -7.181 8.955 -2.294 1.00 2.82 O ATOM 332 ND2 ASN A 24 -6.355 10.680 -1.131 1.00 1.73 N ATOM 0 H ASN A 24 -2.611 7.901 -1.667 1.00 0.28 H new ATOM 0 HA ASN A 24 -4.726 8.318 0.105 1.00 0.35 H new ATOM 0 HB2 ASN A 24 -4.079 9.787 -1.824 1.00 0.41 H new ATOM 0 HB3 ASN A 24 -4.667 8.568 -2.937 1.00 0.41 H new ATOM 0 HD21 ASN A 24 -7.279 11.095 -1.011 1.00 1.73 H new ATOM 0 HD22 ASN A 24 -5.534 11.139 -0.736 1.00 1.73 H new ATOM 339 N ALA A 25 -5.327 5.998 -2.197 1.00 0.35 N ATOM 340 CA ALA A 25 -6.193 4.919 -2.648 1.00 0.46 C ATOM 341 C ALA A 25 -6.334 3.831 -1.591 1.00 0.39 C ATOM 342 O ALA A 25 -7.402 3.236 -1.472 1.00 0.47 O ATOM 343 CB ALA A 25 -5.676 4.334 -3.964 1.00 0.61 C ATOM 0 H ALA A 25 -4.528 6.145 -2.813 1.00 0.35 H new ATOM 0 HA ALA A 25 -7.185 5.338 -2.818 1.00 0.46 H new ATOM 0 HB1 ALA A 25 -6.335 3.528 -4.288 1.00 0.61 H new ATOM 0 HB2 ALA A 25 -5.655 5.114 -4.725 1.00 0.61 H new ATOM 0 HB3 ALA A 25 -4.669 3.943 -3.818 1.00 0.61 H new ATOM 349 N VAL A 26 -5.281 3.573 -0.812 1.00 0.32 N ATOM 350 CA VAL A 26 -5.418 2.696 0.340 1.00 0.42 C ATOM 351 C VAL A 26 -6.007 3.457 1.532 1.00 0.36 C ATOM 352 O VAL A 26 -6.884 2.935 2.215 1.00 0.37 O ATOM 353 CB VAL A 26 -4.113 1.958 0.666 1.00 0.58 C ATOM 354 CG1 VAL A 26 -3.551 1.258 -0.575 1.00 1.97 C ATOM 355 CG2 VAL A 26 -3.023 2.834 1.274 1.00 1.47 C ATOM 0 H VAL A 26 -4.345 3.952 -0.957 1.00 0.32 H new ATOM 0 HA VAL A 26 -6.130 1.910 0.088 1.00 0.42 H new ATOM 0 HB VAL A 26 -4.395 1.229 1.426 1.00 0.58 H new ATOM 0 HG11 VAL A 26 -2.626 0.743 -0.315 1.00 1.97 H new ATOM 0 HG12 VAL A 26 -4.277 0.534 -0.945 1.00 1.97 H new ATOM 0 HG13 VAL A 26 -3.349 1.998 -1.350 1.00 1.97 H new ATOM 0 HG21 VAL A 26 -2.138 2.229 1.472 1.00 1.47 H new ATOM 0 HG22 VAL A 26 -2.768 3.633 0.578 1.00 1.47 H new ATOM 0 HG23 VAL A 26 -3.383 3.267 2.208 1.00 1.47 H new ATOM 365 N ARG A 27 -5.561 4.689 1.802 1.00 0.34 N ATOM 366 CA ARG A 27 -5.998 5.431 2.983 1.00 0.37 C ATOM 367 C ARG A 27 -7.524 5.527 3.053 1.00 0.42 C ATOM 368 O ARG A 27 -8.105 5.423 4.130 1.00 0.49 O ATOM 369 CB ARG A 27 -5.343 6.816 3.011 1.00 0.39 C ATOM 370 CG ARG A 27 -5.732 7.597 4.270 1.00 0.49 C ATOM 371 CD ARG A 27 -4.927 8.895 4.355 1.00 0.58 C ATOM 372 NE ARG A 27 -5.325 9.670 5.539 1.00 0.78 N ATOM 373 CZ ARG A 27 -4.808 10.858 5.888 1.00 1.11 C ATOM 374 NH1 ARG A 27 -3.834 11.400 5.148 1.00 1.67 N ATOM 375 NH2 ARG A 27 -5.270 11.496 6.970 1.00 1.27 N ATOM 0 H ARG A 27 -4.896 5.192 1.215 1.00 0.34 H new ATOM 0 HA ARG A 27 -5.676 4.884 3.869 1.00 0.37 H new ATOM 0 HB2 ARG A 27 -4.259 6.708 2.969 1.00 0.39 H new ATOM 0 HB3 ARG A 27 -5.641 7.378 2.126 1.00 0.39 H new ATOM 0 HG2 ARG A 27 -6.798 7.822 4.252 1.00 0.49 H new ATOM 0 HG3 ARG A 27 -5.549 6.988 5.156 1.00 0.49 H new ATOM 0 HD2 ARG A 27 -3.862 8.667 4.403 1.00 0.58 H new ATOM 0 HD3 ARG A 27 -5.086 9.488 3.454 1.00 0.58 H new ATOM 0 HE ARG A 27 -6.048 9.275 6.140 1.00 0.78 H new ATOM 0 HH11 ARG A 27 -3.488 10.910 4.323 1.00 1.67 H new ATOM 0 HH12 ARG A 27 -3.438 12.303 5.409 1.00 1.67 H new ATOM 0 HH21 ARG A 27 -6.015 11.079 7.529 1.00 1.27 H new ATOM 0 HH22 ARG A 27 -4.877 12.399 7.236 1.00 1.27 H new ATOM 389 N GLN A 28 -8.173 5.709 1.900 1.00 0.41 N ATOM 390 CA GLN A 28 -9.625 5.780 1.807 1.00 0.46 C ATOM 391 C GLN A 28 -10.359 4.548 2.365 1.00 0.45 C ATOM 392 O GLN A 28 -11.561 4.644 2.592 1.00 0.49 O ATOM 393 CB GLN A 28 -10.085 6.132 0.387 1.00 0.53 C ATOM 394 CG GLN A 28 -9.550 5.124 -0.620 1.00 0.47 C ATOM 395 CD GLN A 28 -10.118 5.331 -2.016 1.00 0.67 C ATOM 396 OE1 GLN A 28 -10.888 4.514 -2.510 1.00 0.79 O ATOM 397 NE2 GLN A 28 -9.746 6.426 -2.673 1.00 0.92 N ATOM 0 H GLN A 28 -7.699 5.811 1.003 1.00 0.41 H new ATOM 0 HA GLN A 28 -9.915 6.598 2.466 1.00 0.46 H new ATOM 0 HB2 GLN A 28 -11.174 6.150 0.347 1.00 0.53 H new ATOM 0 HB3 GLN A 28 -9.740 7.132 0.126 1.00 0.53 H new ATOM 0 HG2 GLN A 28 -8.463 5.198 -0.660 1.00 0.47 H new ATOM 0 HG3 GLN A 28 -9.789 4.116 -0.281 1.00 0.47 H new ATOM 0 HE21 GLN A 28 -9.104 7.089 -2.238 1.00 0.92 H new ATOM 0 HE22 GLN A 28 -10.103 6.603 -3.612 1.00 0.92 H new ATOM 406 N LEU A 29 -9.694 3.395 2.537 1.00 0.43 N ATOM 407 CA LEU A 29 -10.368 2.158 2.918 1.00 0.44 C ATOM 408 C LEU A 29 -11.120 2.296 4.246 1.00 0.47 C ATOM 409 O LEU A 29 -12.348 2.304 4.250 1.00 0.53 O ATOM 410 CB LEU A 29 -9.367 0.995 2.952 1.00 0.41 C ATOM 411 CG LEU A 29 -8.803 0.681 1.559 1.00 0.39 C ATOM 412 CD1 LEU A 29 -7.566 -0.206 1.706 1.00 0.37 C ATOM 413 CD2 LEU A 29 -9.836 0.011 0.649 1.00 0.48 C ATOM 0 H LEU A 29 -8.686 3.300 2.416 1.00 0.43 H new ATOM 0 HA LEU A 29 -11.121 1.941 2.160 1.00 0.44 H new ATOM 0 HB2 LEU A 29 -8.548 1.241 3.628 1.00 0.41 H new ATOM 0 HB3 LEU A 29 -9.856 0.107 3.354 1.00 0.41 H new ATOM 0 HG LEU A 29 -8.533 1.624 1.084 1.00 0.39 H new ATOM 0 HD11 LEU A 29 -7.161 -0.432 0.720 1.00 0.37 H new ATOM 0 HD12 LEU A 29 -6.813 0.315 2.297 1.00 0.37 H new ATOM 0 HD13 LEU A 29 -7.841 -1.134 2.207 1.00 0.37 H new ATOM 0 HD21 LEU A 29 -9.388 -0.190 -0.324 1.00 0.48 H new ATOM 0 HD22 LEU A 29 -10.163 -0.926 1.099 1.00 0.48 H new ATOM 0 HD23 LEU A 29 -10.694 0.672 0.524 1.00 0.48 H new ATOM 425 N ALA A 30 -10.383 2.362 5.363 1.00 0.44 N ATOM 426 CA ALA A 30 -10.895 2.470 6.728 1.00 0.48 C ATOM 427 C ALA A 30 -9.770 2.233 7.741 1.00 0.39 C ATOM 428 O ALA A 30 -9.280 3.167 8.364 1.00 0.46 O ATOM 429 CB ALA A 30 -12.015 1.452 6.959 1.00 0.53 C ATOM 0 H ALA A 30 -9.364 2.340 5.333 1.00 0.44 H new ATOM 0 HA ALA A 30 -11.292 3.476 6.865 1.00 0.48 H new ATOM 0 HB1 ALA A 30 -12.386 1.545 7.980 1.00 0.53 H new ATOM 0 HB2 ALA A 30 -12.829 1.641 6.259 1.00 0.53 H new ATOM 0 HB3 ALA A 30 -11.629 0.445 6.803 1.00 0.53 H new ATOM 435 N GLY A 31 -9.385 0.963 7.913 1.00 0.33 N ATOM 436 CA GLY A 31 -8.446 0.488 8.925 1.00 0.36 C ATOM 437 C GLY A 31 -7.123 1.256 8.961 1.00 0.33 C ATOM 438 O GLY A 31 -6.518 1.412 10.020 1.00 0.37 O ATOM 0 H GLY A 31 -9.737 0.209 7.323 1.00 0.33 H new ATOM 0 HA2 GLY A 31 -8.919 0.556 9.904 1.00 0.36 H new ATOM 0 HA3 GLY A 31 -8.237 -0.566 8.744 1.00 0.36 H new ATOM 442 N VAL A 32 -6.601 1.606 7.783 1.00 0.31 N ATOM 443 CA VAL A 32 -5.278 2.170 7.632 1.00 0.32 C ATOM 444 C VAL A 32 -5.184 3.536 8.318 1.00 0.34 C ATOM 445 O VAL A 32 -5.924 4.455 7.978 1.00 0.41 O ATOM 446 CB VAL A 32 -4.853 2.128 6.157 1.00 0.39 C ATOM 447 CG1 VAL A 32 -5.994 2.285 5.163 1.00 0.44 C ATOM 448 CG2 VAL A 32 -3.779 3.157 5.824 1.00 0.48 C ATOM 0 H VAL A 32 -7.101 1.500 6.900 1.00 0.31 H new ATOM 0 HA VAL A 32 -4.539 1.562 8.155 1.00 0.32 H new ATOM 0 HB VAL A 32 -4.450 1.121 6.046 1.00 0.39 H new ATOM 0 HG11 VAL A 32 -5.600 2.243 4.147 1.00 0.44 H new ATOM 0 HG12 VAL A 32 -6.715 1.480 5.306 1.00 0.44 H new ATOM 0 HG13 VAL A 32 -6.486 3.245 5.322 1.00 0.44 H new ATOM 0 HG21 VAL A 32 -3.518 3.082 4.769 1.00 0.48 H new ATOM 0 HG22 VAL A 32 -4.156 4.158 6.034 1.00 0.48 H new ATOM 0 HG23 VAL A 32 -2.894 2.969 6.431 1.00 0.48 H new ATOM 458 N ASN A 33 -4.265 3.657 9.283 1.00 0.32 N ATOM 459 CA ASN A 33 -4.157 4.817 10.157 1.00 0.38 C ATOM 460 C ASN A 33 -3.076 5.745 9.614 1.00 0.35 C ATOM 461 O ASN A 33 -3.342 6.909 9.320 1.00 0.47 O ATOM 462 CB ASN A 33 -3.790 4.368 11.578 1.00 0.45 C ATOM 463 CG ASN A 33 -4.907 3.583 12.259 1.00 0.70 C ATOM 464 OD1 ASN A 33 -4.586 2.419 12.819 1.00 0.97 O flip ATOM 465 ND2 ASN A 33 -6.046 4.032 12.313 1.00 0.88 N flip ATOM 0 H ASN A 33 -3.568 2.938 9.477 1.00 0.32 H new ATOM 0 HA ASN A 33 -5.112 5.342 10.190 1.00 0.38 H new ATOM 0 HB2 ASN A 33 -2.892 3.752 11.538 1.00 0.45 H new ATOM 0 HB3 ASN A 33 -3.549 5.244 12.180 1.00 0.45 H new ATOM 0 HD21 ASN A 33 -6.263 4.927 11.874 1.00 0.88 H new ATOM 0 HD22 ASN A 33 -6.777 3.511 12.797 1.00 0.88 H new ATOM 472 N GLN A 34 -1.860 5.215 9.471 1.00 0.28 N ATOM 473 CA GLN A 34 -0.759 5.865 8.778 1.00 0.33 C ATOM 474 C GLN A 34 -0.389 4.931 7.628 1.00 0.30 C ATOM 475 O GLN A 34 -0.643 3.726 7.689 1.00 0.67 O ATOM 476 CB GLN A 34 0.400 6.135 9.759 1.00 0.43 C ATOM 477 CG GLN A 34 1.612 6.897 9.194 1.00 0.43 C ATOM 478 CD GLN A 34 1.437 8.412 9.277 1.00 0.53 C ATOM 479 OE1 GLN A 34 2.016 9.059 10.142 1.00 1.67 O ATOM 480 NE2 GLN A 34 0.641 9.007 8.393 1.00 2.14 N ATOM 0 H GLN A 34 -1.613 4.299 9.845 1.00 0.28 H new ATOM 0 HA GLN A 34 -1.022 6.845 8.379 1.00 0.33 H new ATOM 0 HB2 GLN A 34 0.007 6.698 10.605 1.00 0.43 H new ATOM 0 HB3 GLN A 34 0.749 5.178 10.147 1.00 0.43 H new ATOM 0 HG2 GLN A 34 2.508 6.607 9.742 1.00 0.43 H new ATOM 0 HG3 GLN A 34 1.767 6.608 8.154 1.00 0.43 H new ATOM 0 HE21 GLN A 34 0.167 8.453 7.680 1.00 2.14 H new ATOM 0 HE22 GLN A 34 0.505 10.017 8.428 1.00 2.14 H new ATOM 489 N VAL A 35 0.146 5.493 6.550 1.00 0.31 N ATOM 490 CA VAL A 35 0.513 4.769 5.354 1.00 0.41 C ATOM 491 C VAL A 35 1.822 5.374 4.863 1.00 0.30 C ATOM 492 O VAL A 35 2.059 6.565 5.065 1.00 0.48 O ATOM 493 CB VAL A 35 -0.635 4.843 4.331 1.00 0.88 C ATOM 494 CG1 VAL A 35 -1.174 6.266 4.121 1.00 1.00 C ATOM 495 CG2 VAL A 35 -0.203 4.254 2.989 1.00 2.27 C ATOM 0 H VAL A 35 0.339 6.493 6.489 1.00 0.31 H new ATOM 0 HA VAL A 35 0.671 3.705 5.533 1.00 0.41 H new ATOM 0 HB VAL A 35 -1.448 4.252 4.752 1.00 0.88 H new ATOM 0 HG11 VAL A 35 -1.981 6.245 3.388 1.00 1.00 H new ATOM 0 HG12 VAL A 35 -1.553 6.655 5.066 1.00 1.00 H new ATOM 0 HG13 VAL A 35 -0.372 6.909 3.759 1.00 1.00 H new ATOM 0 HG21 VAL A 35 -1.030 4.317 2.281 1.00 2.27 H new ATOM 0 HG22 VAL A 35 0.649 4.814 2.603 1.00 2.27 H new ATOM 0 HG23 VAL A 35 0.081 3.210 3.124 1.00 2.27 H new ATOM 505 N GLN A 36 2.679 4.541 4.272 1.00 0.29 N ATOM 506 CA GLN A 36 4.003 4.910 3.814 1.00 0.37 C ATOM 507 C GLN A 36 4.299 4.052 2.587 1.00 0.33 C ATOM 508 O GLN A 36 4.727 2.905 2.710 1.00 0.34 O ATOM 509 CB GLN A 36 4.990 4.633 4.950 1.00 0.42 C ATOM 510 CG GLN A 36 6.456 4.885 4.565 1.00 0.53 C ATOM 511 CD GLN A 36 7.366 3.859 5.228 1.00 1.00 C ATOM 512 OE1 GLN A 36 8.170 3.199 4.574 1.00 2.54 O ATOM 513 NE2 GLN A 36 7.218 3.680 6.536 1.00 0.56 N ATOM 0 H GLN A 36 2.456 3.561 4.097 1.00 0.29 H new ATOM 0 HA GLN A 36 4.082 5.963 3.545 1.00 0.37 H new ATOM 0 HB2 GLN A 36 4.734 5.260 5.804 1.00 0.42 H new ATOM 0 HB3 GLN A 36 4.880 3.597 5.271 1.00 0.42 H new ATOM 0 HG2 GLN A 36 6.568 4.833 3.482 1.00 0.53 H new ATOM 0 HG3 GLN A 36 6.750 5.890 4.868 1.00 0.53 H new ATOM 0 HE21 GLN A 36 6.543 4.242 7.054 1.00 0.56 H new ATOM 0 HE22 GLN A 36 7.779 2.981 7.022 1.00 0.56 H new ATOM 522 N VAL A 37 4.074 4.602 1.396 1.00 0.37 N ATOM 523 CA VAL A 37 4.314 3.889 0.156 1.00 0.42 C ATOM 524 C VAL A 37 5.671 4.337 -0.390 1.00 0.53 C ATOM 525 O VAL A 37 5.812 5.438 -0.921 1.00 0.77 O ATOM 526 CB VAL A 37 3.114 4.047 -0.788 1.00 0.62 C ATOM 527 CG1 VAL A 37 1.819 3.614 -0.089 1.00 1.72 C ATOM 528 CG2 VAL A 37 2.936 5.459 -1.337 1.00 1.23 C ATOM 0 H VAL A 37 3.722 5.551 1.270 1.00 0.37 H new ATOM 0 HA VAL A 37 4.387 2.811 0.298 1.00 0.42 H new ATOM 0 HB VAL A 37 3.328 3.400 -1.639 1.00 0.62 H new ATOM 0 HG11 VAL A 37 0.979 3.733 -0.773 1.00 1.72 H new ATOM 0 HG12 VAL A 37 1.899 2.569 0.210 1.00 1.72 H new ATOM 0 HG13 VAL A 37 1.658 4.232 0.794 1.00 1.72 H new ATOM 0 HG21 VAL A 37 2.067 5.487 -1.995 1.00 1.23 H new ATOM 0 HG22 VAL A 37 2.788 6.155 -0.511 1.00 1.23 H new ATOM 0 HG23 VAL A 37 3.825 5.746 -1.898 1.00 1.23 H new ATOM 538 N LEU A 38 6.705 3.509 -0.223 1.00 0.42 N ATOM 539 CA LEU A 38 8.065 3.910 -0.504 1.00 0.40 C ATOM 540 C LEU A 38 8.372 3.449 -1.921 1.00 0.32 C ATOM 541 O LEU A 38 8.994 2.412 -2.175 1.00 0.33 O ATOM 542 CB LEU A 38 9.012 3.343 0.556 1.00 0.51 C ATOM 543 CG LEU A 38 10.435 3.878 0.360 1.00 0.55 C ATOM 544 CD1 LEU A 38 10.567 5.373 0.681 1.00 0.80 C ATOM 545 CD2 LEU A 38 11.382 3.088 1.269 1.00 0.69 C ATOM 0 H LEU A 38 6.613 2.549 0.109 1.00 0.42 H new ATOM 0 HA LEU A 38 8.202 4.990 -0.454 1.00 0.40 H new ATOM 0 HB2 LEU A 38 8.653 3.609 1.550 1.00 0.51 H new ATOM 0 HB3 LEU A 38 9.017 2.254 0.500 1.00 0.51 H new ATOM 0 HG LEU A 38 10.689 3.754 -0.693 1.00 0.55 H new ATOM 0 HD11 LEU A 38 11.598 5.690 0.522 1.00 0.80 H new ATOM 0 HD12 LEU A 38 9.907 5.945 0.028 1.00 0.80 H new ATOM 0 HD13 LEU A 38 10.290 5.548 1.721 1.00 0.80 H new ATOM 0 HD21 LEU A 38 12.400 3.456 1.142 1.00 0.69 H new ATOM 0 HD22 LEU A 38 11.078 3.214 2.308 1.00 0.69 H new ATOM 0 HD23 LEU A 38 11.343 2.031 1.005 1.00 0.69 H new ATOM 557 N PHE A 39 7.872 4.263 -2.845 1.00 0.32 N ATOM 558 CA PHE A 39 8.121 4.130 -4.262 1.00 0.32 C ATOM 559 C PHE A 39 9.627 4.207 -4.544 1.00 0.35 C ATOM 560 O PHE A 39 10.403 4.642 -3.694 1.00 0.36 O ATOM 561 CB PHE A 39 7.301 5.198 -4.998 1.00 0.39 C ATOM 562 CG PHE A 39 8.001 6.513 -5.233 1.00 0.23 C ATOM 563 CD1 PHE A 39 8.695 6.702 -6.440 1.00 1.78 C ATOM 564 CD2 PHE A 39 7.872 7.573 -4.318 1.00 1.79 C ATOM 565 CE1 PHE A 39 9.163 7.975 -6.788 1.00 1.87 C ATOM 566 CE2 PHE A 39 8.349 8.847 -4.663 1.00 1.78 C ATOM 567 CZ PHE A 39 8.955 9.054 -5.917 1.00 0.56 C ATOM 0 H PHE A 39 7.267 5.052 -2.615 1.00 0.32 H new ATOM 0 HA PHE A 39 7.801 3.155 -4.631 1.00 0.32 H new ATOM 0 HB2 PHE A 39 6.994 4.793 -5.962 1.00 0.39 H new ATOM 0 HB3 PHE A 39 6.392 5.388 -4.428 1.00 0.39 H new ATOM 0 HD1 PHE A 39 8.868 5.865 -7.100 1.00 1.78 H new ATOM 0 HD2 PHE A 39 7.409 7.408 -3.356 1.00 1.79 H new ATOM 0 HE1 PHE A 39 9.682 8.125 -7.723 1.00 1.87 H new ATOM 0 HE2 PHE A 39 8.251 9.668 -3.968 1.00 1.78 H new ATOM 0 HZ PHE A 39 9.261 10.048 -6.209 1.00 0.56 H new ATOM 577 N ALA A 40 10.039 3.730 -5.721 1.00 0.41 N ATOM 578 CA ALA A 40 11.427 3.609 -6.165 1.00 0.45 C ATOM 579 C ALA A 40 12.142 2.480 -5.416 1.00 0.44 C ATOM 580 O ALA A 40 12.659 1.558 -6.037 1.00 0.58 O ATOM 581 CB ALA A 40 12.178 4.946 -6.097 1.00 0.49 C ATOM 0 H ALA A 40 9.378 3.401 -6.425 1.00 0.41 H new ATOM 0 HA ALA A 40 11.418 3.336 -7.220 1.00 0.45 H new ATOM 0 HB1 ALA A 40 13.204 4.805 -6.437 1.00 0.49 H new ATOM 0 HB2 ALA A 40 11.681 5.675 -6.737 1.00 0.49 H new ATOM 0 HB3 ALA A 40 12.183 5.309 -5.069 1.00 0.49 H new ATOM 587 N THR A 41 12.116 2.510 -4.081 1.00 0.42 N ATOM 588 CA THR A 41 12.529 1.389 -3.242 1.00 0.40 C ATOM 589 C THR A 41 11.616 0.173 -3.436 1.00 0.42 C ATOM 590 O THR A 41 11.972 -0.930 -3.028 1.00 1.00 O ATOM 591 CB THR A 41 12.570 1.836 -1.782 1.00 0.54 C ATOM 592 OG1 THR A 41 13.129 3.133 -1.739 1.00 1.01 O ATOM 593 CG2 THR A 41 13.422 0.902 -0.914 1.00 0.95 C ATOM 0 H THR A 41 11.804 3.323 -3.550 1.00 0.42 H new ATOM 0 HA THR A 41 13.529 1.075 -3.541 1.00 0.40 H new ATOM 0 HB THR A 41 11.554 1.818 -1.387 1.00 0.54 H new ATOM 0 HG1 THR A 41 13.458 3.317 -0.835 1.00 1.01 H new ATOM 0 HG21 THR A 41 13.421 1.260 0.115 1.00 0.95 H new ATOM 0 HG22 THR A 41 13.007 -0.105 -0.948 1.00 0.95 H new ATOM 0 HG23 THR A 41 14.444 0.886 -1.292 1.00 0.95 H new ATOM 601 N GLU A 42 10.444 0.370 -4.054 1.00 0.45 N ATOM 602 CA GLU A 42 9.602 -0.699 -4.563 1.00 0.49 C ATOM 603 C GLU A 42 8.945 -1.471 -3.408 1.00 0.45 C ATOM 604 O GLU A 42 8.753 -2.686 -3.482 1.00 0.63 O ATOM 605 CB GLU A 42 10.420 -1.568 -5.541 1.00 0.85 C ATOM 606 CG GLU A 42 9.558 -2.427 -6.470 1.00 1.34 C ATOM 607 CD GLU A 42 10.406 -3.184 -7.486 1.00 2.27 C ATOM 608 OE1 GLU A 42 11.176 -4.064 -7.046 1.00 2.92 O ATOM 609 OE2 GLU A 42 10.268 -2.867 -8.687 1.00 3.35 O ATOM 0 H GLU A 42 10.055 1.299 -4.213 1.00 0.45 H new ATOM 0 HA GLU A 42 8.767 -0.295 -5.136 1.00 0.49 H new ATOM 0 HB2 GLU A 42 11.055 -0.920 -6.145 1.00 0.85 H new ATOM 0 HB3 GLU A 42 11.081 -2.219 -4.969 1.00 0.85 H new ATOM 0 HG2 GLU A 42 8.980 -3.136 -5.878 1.00 1.34 H new ATOM 0 HG3 GLU A 42 8.843 -1.792 -6.994 1.00 1.34 H new ATOM 616 N LYS A 43 8.534 -0.765 -2.343 1.00 0.34 N ATOM 617 CA LYS A 43 7.757 -1.393 -1.286 1.00 0.46 C ATOM 618 C LYS A 43 6.809 -0.407 -0.630 1.00 0.42 C ATOM 619 O LYS A 43 7.045 0.800 -0.651 1.00 0.52 O ATOM 620 CB LYS A 43 8.666 -2.107 -0.278 1.00 0.68 C ATOM 621 CG LYS A 43 9.437 -1.247 0.729 1.00 0.93 C ATOM 622 CD LYS A 43 8.578 -0.668 1.865 1.00 0.73 C ATOM 623 CE LYS A 43 9.402 -0.504 3.148 1.00 1.23 C ATOM 624 NZ LYS A 43 9.532 -1.786 3.877 1.00 2.34 N ATOM 0 H LYS A 43 8.728 0.226 -2.200 1.00 0.34 H new ATOM 0 HA LYS A 43 7.131 -2.162 -1.739 1.00 0.46 H new ATOM 0 HB2 LYS A 43 8.053 -2.811 0.284 1.00 0.68 H new ATOM 0 HB3 LYS A 43 9.392 -2.695 -0.840 1.00 0.68 H new ATOM 0 HG2 LYS A 43 10.235 -1.848 1.165 1.00 0.93 H new ATOM 0 HG3 LYS A 43 9.913 -0.424 0.195 1.00 0.93 H new ATOM 0 HD2 LYS A 43 8.172 0.298 1.563 1.00 0.73 H new ATOM 0 HD3 LYS A 43 7.729 -1.325 2.055 1.00 0.73 H new ATOM 0 HE2 LYS A 43 10.393 -0.124 2.899 1.00 1.23 H new ATOM 0 HE3 LYS A 43 8.929 0.236 3.793 1.00 1.23 H new ATOM 0 HZ1 LYS A 43 10.095 -1.640 4.739 1.00 2.34 H new ATOM 0 HZ2 LYS A 43 8.587 -2.136 4.135 1.00 2.34 H new ATOM 0 HZ3 LYS A 43 10.005 -2.485 3.269 1.00 2.34 H new ATOM 638 N LEU A 44 5.739 -0.921 -0.028 1.00 0.34 N ATOM 639 CA LEU A 44 4.755 -0.153 0.687 1.00 0.30 C ATOM 640 C LEU A 44 4.736 -0.711 2.106 1.00 0.25 C ATOM 641 O LEU A 44 5.129 -1.858 2.316 1.00 0.44 O ATOM 642 CB LEU A 44 3.453 -0.244 -0.126 1.00 0.32 C ATOM 643 CG LEU A 44 2.261 -0.930 0.506 1.00 0.68 C ATOM 644 CD1 LEU A 44 1.727 -0.070 1.643 1.00 0.84 C ATOM 645 CD2 LEU A 44 1.182 -1.125 -0.569 1.00 0.91 C ATOM 0 H LEU A 44 5.537 -1.921 -0.032 1.00 0.34 H new ATOM 0 HA LEU A 44 4.950 0.914 0.793 1.00 0.30 H new ATOM 0 HB2 LEU A 44 3.153 0.770 -0.388 1.00 0.32 H new ATOM 0 HB3 LEU A 44 3.678 -0.761 -1.059 1.00 0.32 H new ATOM 0 HG LEU A 44 2.551 -1.900 0.910 1.00 0.68 H new ATOM 0 HD11 LEU A 44 0.868 -0.562 2.099 1.00 0.84 H new ATOM 0 HD12 LEU A 44 2.507 0.068 2.392 1.00 0.84 H new ATOM 0 HD13 LEU A 44 1.423 0.901 1.253 1.00 0.84 H new ATOM 0 HD21 LEU A 44 0.315 -1.619 -0.129 1.00 0.91 H new ATOM 0 HD22 LEU A 44 0.884 -0.154 -0.966 1.00 0.91 H new ATOM 0 HD23 LEU A 44 1.579 -1.741 -1.376 1.00 0.91 H new ATOM 657 N VAL A 45 4.351 0.127 3.065 1.00 0.21 N ATOM 658 CA VAL A 45 4.249 -0.067 4.482 1.00 0.22 C ATOM 659 C VAL A 45 2.938 0.628 4.844 1.00 0.22 C ATOM 660 O VAL A 45 2.631 1.709 4.337 1.00 0.29 O ATOM 661 CB VAL A 45 5.465 0.556 5.185 1.00 0.39 C ATOM 662 CG1 VAL A 45 5.118 0.972 6.614 1.00 0.43 C ATOM 663 CG2 VAL A 45 6.598 -0.466 5.235 1.00 0.54 C ATOM 0 H VAL A 45 4.070 1.076 2.818 1.00 0.21 H new ATOM 0 HA VAL A 45 4.245 -1.112 4.790 1.00 0.22 H new ATOM 0 HB VAL A 45 5.769 1.439 4.623 1.00 0.39 H new ATOM 0 HG11 VAL A 45 5.996 1.410 7.089 1.00 0.43 H new ATOM 0 HG12 VAL A 45 4.312 1.706 6.594 1.00 0.43 H new ATOM 0 HG13 VAL A 45 4.798 0.097 7.180 1.00 0.43 H new ATOM 0 HG21 VAL A 45 7.462 -0.027 5.733 1.00 0.54 H new ATOM 0 HG22 VAL A 45 6.270 -1.347 5.787 1.00 0.54 H new ATOM 0 HG23 VAL A 45 6.872 -0.755 4.220 1.00 0.54 H new ATOM 673 N VAL A 46 2.150 -0.031 5.675 1.00 0.26 N ATOM 674 CA VAL A 46 0.839 0.377 6.120 1.00 0.21 C ATOM 675 C VAL A 46 0.860 0.193 7.625 1.00 0.25 C ATOM 676 O VAL A 46 1.324 -0.853 8.076 1.00 0.48 O ATOM 677 CB VAL A 46 -0.176 -0.557 5.442 1.00 0.43 C ATOM 678 CG1 VAL A 46 -1.372 -0.938 6.309 1.00 0.93 C ATOM 679 CG2 VAL A 46 -0.689 0.081 4.152 1.00 0.37 C ATOM 0 H VAL A 46 2.432 -0.923 6.081 1.00 0.26 H new ATOM 0 HA VAL A 46 0.573 1.405 5.873 1.00 0.21 H new ATOM 0 HB VAL A 46 0.370 -1.479 5.246 1.00 0.43 H new ATOM 0 HG11 VAL A 46 -2.033 -1.598 5.747 1.00 0.93 H new ATOM 0 HG12 VAL A 46 -1.023 -1.451 7.205 1.00 0.93 H new ATOM 0 HG13 VAL A 46 -1.916 -0.038 6.595 1.00 0.93 H new ATOM 0 HG21 VAL A 46 -1.408 -0.586 3.677 1.00 0.37 H new ATOM 0 HG22 VAL A 46 -1.173 1.030 4.383 1.00 0.37 H new ATOM 0 HG23 VAL A 46 0.147 0.255 3.475 1.00 0.37 H new ATOM 689 N ASP A 47 0.353 1.169 8.379 1.00 0.20 N ATOM 690 CA ASP A 47 0.175 1.066 9.813 1.00 0.24 C ATOM 691 C ASP A 47 -1.330 1.018 10.039 1.00 0.19 C ATOM 692 O ASP A 47 -2.026 2.029 9.892 1.00 0.28 O ATOM 693 CB ASP A 47 0.843 2.245 10.514 1.00 0.39 C ATOM 694 CG ASP A 47 2.343 2.270 10.255 1.00 1.15 C ATOM 695 OD1 ASP A 47 3.034 1.405 10.835 1.00 1.62 O ATOM 696 OD2 ASP A 47 2.773 3.142 9.468 1.00 2.38 O ATOM 0 H ASP A 47 0.052 2.065 7.996 1.00 0.20 H new ATOM 0 HA ASP A 47 0.644 0.176 10.232 1.00 0.24 H new ATOM 0 HB2 ASP A 47 0.397 3.177 10.166 1.00 0.39 H new ATOM 0 HB3 ASP A 47 0.659 2.184 11.587 1.00 0.39 H new ATOM 701 N ALA A 48 -1.840 -0.180 10.324 1.00 0.23 N ATOM 702 CA ALA A 48 -3.260 -0.461 10.421 1.00 0.34 C ATOM 703 C ALA A 48 -3.493 -1.351 11.629 1.00 0.58 C ATOM 704 O ALA A 48 -3.210 -2.547 11.607 1.00 0.89 O ATOM 705 CB ALA A 48 -3.749 -1.133 9.148 1.00 0.38 C ATOM 0 H ALA A 48 -1.256 -0.998 10.497 1.00 0.23 H new ATOM 0 HA ALA A 48 -3.820 0.466 10.542 1.00 0.34 H new ATOM 0 HB1 ALA A 48 -4.816 -1.339 9.232 1.00 0.38 H new ATOM 0 HB2 ALA A 48 -3.573 -0.474 8.298 1.00 0.38 H new ATOM 0 HB3 ALA A 48 -3.209 -2.068 9.000 1.00 0.38 H new ATOM 711 N ASP A 49 -4.045 -0.755 12.678 1.00 0.80 N ATOM 712 CA ASP A 49 -4.208 -1.412 13.974 1.00 1.07 C ATOM 713 C ASP A 49 -5.597 -2.041 14.016 1.00 1.14 C ATOM 714 O ASP A 49 -6.464 -1.682 14.809 1.00 1.24 O ATOM 715 CB ASP A 49 -3.941 -0.433 15.127 1.00 1.28 C ATOM 716 CG ASP A 49 -3.622 -1.156 16.436 1.00 2.08 C ATOM 717 OD1 ASP A 49 -3.835 -2.384 16.493 1.00 3.39 O ATOM 718 OD2 ASP A 49 -3.103 -0.476 17.353 1.00 2.60 O ATOM 0 H ASP A 49 -4.395 0.203 12.656 1.00 0.80 H new ATOM 0 HA ASP A 49 -3.472 -2.206 14.101 1.00 1.07 H new ATOM 0 HB2 ASP A 49 -3.109 0.219 14.862 1.00 1.28 H new ATOM 0 HB3 ASP A 49 -4.813 0.205 15.269 1.00 1.28 H new ATOM 723 N ASN A 50 -5.823 -2.927 13.046 1.00 1.03 N ATOM 724 CA ASN A 50 -7.081 -3.584 12.735 1.00 0.88 C ATOM 725 C ASN A 50 -6.758 -4.445 11.522 1.00 0.68 C ATOM 726 O ASN A 50 -5.818 -5.229 11.628 1.00 1.23 O ATOM 727 CB ASN A 50 -8.275 -2.615 12.586 1.00 1.07 C ATOM 728 CG ASN A 50 -7.959 -1.242 11.995 1.00 2.58 C ATOM 729 OD1 ASN A 50 -8.623 -0.266 12.322 1.00 3.34 O ATOM 730 ND2 ASN A 50 -6.955 -1.127 11.128 1.00 3.66 N ATOM 0 H ASN A 50 -5.076 -3.221 12.416 1.00 1.03 H new ATOM 0 HA ASN A 50 -7.449 -4.203 13.553 1.00 0.88 H new ATOM 0 HB2 ASN A 50 -9.028 -3.093 11.959 1.00 1.07 H new ATOM 0 HB3 ASN A 50 -8.724 -2.470 13.569 1.00 1.07 H new ATOM 0 HD21 ASN A 50 -6.730 -0.217 10.726 1.00 3.66 H new ATOM 0 HD22 ASN A 50 -6.411 -1.949 10.866 1.00 3.66 H new ATOM 737 N ASP A 51 -7.448 -4.322 10.379 1.00 0.38 N ATOM 738 CA ASP A 51 -7.248 -5.324 9.339 1.00 0.43 C ATOM 739 C ASP A 51 -7.726 -4.887 7.959 1.00 0.40 C ATOM 740 O ASP A 51 -8.928 -4.775 7.715 1.00 0.76 O ATOM 741 CB ASP A 51 -7.961 -6.611 9.754 1.00 0.68 C ATOM 742 CG ASP A 51 -7.121 -7.839 9.411 1.00 0.98 C ATOM 743 OD1 ASP A 51 -6.222 -7.732 8.544 1.00 1.79 O ATOM 744 OD2 ASP A 51 -7.307 -8.885 10.062 1.00 2.37 O ATOM 0 H ASP A 51 -8.113 -3.580 10.163 1.00 0.38 H new ATOM 0 HA ASP A 51 -6.173 -5.479 9.246 1.00 0.43 H new ATOM 0 HB2 ASP A 51 -8.161 -6.591 10.825 1.00 0.68 H new ATOM 0 HB3 ASP A 51 -8.926 -6.674 9.251 1.00 0.68 H new ATOM 749 N ILE A 52 -6.781 -4.612 7.060 1.00 0.33 N ATOM 750 CA ILE A 52 -7.051 -4.016 5.759 1.00 0.29 C ATOM 751 C ILE A 52 -5.990 -4.385 4.738 1.00 0.32 C ATOM 752 O ILE A 52 -5.844 -3.712 3.730 1.00 0.59 O ATOM 753 CB ILE A 52 -7.093 -2.491 5.899 1.00 0.33 C ATOM 754 CG1 ILE A 52 -5.866 -1.919 6.622 1.00 0.39 C ATOM 755 CG2 ILE A 52 -8.299 -2.064 6.701 1.00 0.49 C ATOM 756 CD1 ILE A 52 -4.668 -1.802 5.703 1.00 0.44 C ATOM 0 H ILE A 52 -5.792 -4.801 7.221 1.00 0.33 H new ATOM 0 HA ILE A 52 -8.010 -4.400 5.410 1.00 0.29 H new ATOM 0 HB ILE A 52 -7.125 -2.110 4.878 1.00 0.33 H new ATOM 0 HG12 ILE A 52 -6.109 -0.937 7.027 1.00 0.39 H new ATOM 0 HG13 ILE A 52 -5.613 -2.559 7.468 1.00 0.39 H new ATOM 0 HG21 ILE A 52 -8.311 -0.978 6.789 1.00 0.49 H new ATOM 0 HG22 ILE A 52 -9.207 -2.397 6.198 1.00 0.49 H new ATOM 0 HG23 ILE A 52 -8.251 -2.508 7.695 1.00 0.49 H new ATOM 0 HD11 ILE A 52 -3.823 -1.393 6.257 1.00 0.44 H new ATOM 0 HD12 ILE A 52 -4.407 -2.788 5.319 1.00 0.44 H new ATOM 0 HD13 ILE A 52 -4.911 -1.141 4.871 1.00 0.44 H new ATOM 768 N ARG A 53 -5.214 -5.427 4.984 1.00 0.52 N ATOM 769 CA ARG A 53 -4.066 -5.726 4.128 1.00 0.39 C ATOM 770 C ARG A 53 -4.586 -6.210 2.791 1.00 0.28 C ATOM 771 O ARG A 53 -4.267 -5.659 1.749 1.00 0.27 O ATOM 772 CB ARG A 53 -3.110 -6.757 4.731 1.00 0.56 C ATOM 773 CG ARG A 53 -3.349 -6.904 6.226 1.00 0.60 C ATOM 774 CD ARG A 53 -2.342 -7.835 6.859 1.00 0.90 C ATOM 775 NE ARG A 53 -2.971 -8.384 8.085 1.00 1.32 N ATOM 776 CZ ARG A 53 -3.477 -9.603 8.336 1.00 1.72 C ATOM 777 NH1 ARG A 53 -2.938 -10.715 7.834 1.00 2.00 N ATOM 778 NH2 ARG A 53 -4.547 -9.697 9.129 1.00 2.22 N ATOM 0 H ARG A 53 -5.351 -6.076 5.759 1.00 0.52 H new ATOM 0 HA ARG A 53 -3.483 -4.812 4.017 1.00 0.39 H new ATOM 0 HB2 ARG A 53 -3.249 -7.720 4.239 1.00 0.56 H new ATOM 0 HB3 ARG A 53 -2.079 -6.453 4.551 1.00 0.56 H new ATOM 0 HG2 ARG A 53 -3.291 -5.925 6.703 1.00 0.60 H new ATOM 0 HG3 ARG A 53 -4.356 -7.284 6.399 1.00 0.60 H new ATOM 0 HD2 ARG A 53 -2.072 -8.637 6.172 1.00 0.90 H new ATOM 0 HD3 ARG A 53 -1.423 -7.302 7.103 1.00 0.90 H new ATOM 0 HE ARG A 53 -3.029 -7.729 8.865 1.00 1.32 H new ATOM 0 HH11 ARG A 53 -2.113 -10.657 7.237 1.00 2.00 H new ATOM 0 HH12 ARG A 53 -3.351 -11.623 8.047 1.00 2.00 H new ATOM 0 HH21 ARG A 53 -4.961 -8.855 9.529 1.00 2.22 H new ATOM 0 HH22 ARG A 53 -4.950 -10.611 9.335 1.00 2.22 H new ATOM 792 N ALA A 54 -5.465 -7.207 2.854 1.00 0.38 N ATOM 793 CA ALA A 54 -6.155 -7.717 1.687 1.00 0.42 C ATOM 794 C ALA A 54 -6.933 -6.590 0.993 1.00 0.38 C ATOM 795 O ALA A 54 -7.050 -6.556 -0.231 1.00 0.57 O ATOM 796 CB ALA A 54 -6.997 -8.907 2.116 1.00 0.58 C ATOM 0 H ALA A 54 -5.715 -7.681 3.722 1.00 0.38 H new ATOM 0 HA ALA A 54 -5.459 -8.078 0.930 1.00 0.42 H new ATOM 0 HB1 ALA A 54 -7.527 -9.308 1.252 1.00 0.58 H new ATOM 0 HB2 ALA A 54 -6.350 -9.678 2.535 1.00 0.58 H new ATOM 0 HB3 ALA A 54 -7.719 -8.590 2.869 1.00 0.58 H new ATOM 802 N GLN A 55 -7.421 -5.620 1.775 1.00 0.27 N ATOM 803 CA GLN A 55 -8.035 -4.418 1.237 1.00 0.30 C ATOM 804 C GLN A 55 -7.017 -3.573 0.461 1.00 0.32 C ATOM 805 O GLN A 55 -7.267 -3.203 -0.685 1.00 0.37 O ATOM 806 CB GLN A 55 -8.790 -3.641 2.316 1.00 0.34 C ATOM 807 CG GLN A 55 -9.858 -4.503 2.998 1.00 1.01 C ATOM 808 CD GLN A 55 -10.663 -3.686 4.003 1.00 1.51 C ATOM 809 OE1 GLN A 55 -11.017 -2.541 3.746 1.00 2.93 O ATOM 810 NE2 GLN A 55 -10.948 -4.255 5.170 1.00 1.25 N ATOM 0 H GLN A 55 -7.398 -5.653 2.794 1.00 0.27 H new ATOM 0 HA GLN A 55 -8.791 -4.714 0.510 1.00 0.30 H new ATOM 0 HB2 GLN A 55 -8.084 -3.278 3.063 1.00 0.34 H new ATOM 0 HB3 GLN A 55 -9.261 -2.765 1.870 1.00 0.34 H new ATOM 0 HG2 GLN A 55 -10.527 -4.922 2.246 1.00 1.01 H new ATOM 0 HG3 GLN A 55 -9.383 -5.343 3.505 1.00 1.01 H new ATOM 0 HE21 GLN A 55 -10.642 -5.209 5.360 1.00 1.25 H new ATOM 0 HE22 GLN A 55 -11.472 -3.737 5.875 1.00 1.25 H new ATOM 819 N VAL A 56 -5.860 -3.299 1.065 1.00 0.28 N ATOM 820 CA VAL A 56 -4.762 -2.580 0.445 1.00 0.26 C ATOM 821 C VAL A 56 -4.412 -3.258 -0.874 1.00 0.25 C ATOM 822 O VAL A 56 -4.401 -2.623 -1.926 1.00 0.28 O ATOM 823 CB VAL A 56 -3.540 -2.497 1.351 1.00 0.26 C ATOM 824 CG1 VAL A 56 -2.312 -2.040 0.552 1.00 0.30 C ATOM 825 CG2 VAL A 56 -3.782 -1.511 2.492 1.00 0.44 C ATOM 0 H VAL A 56 -5.662 -3.582 2.025 1.00 0.28 H new ATOM 0 HA VAL A 56 -5.081 -1.554 0.264 1.00 0.26 H new ATOM 0 HB VAL A 56 -3.361 -3.490 1.763 1.00 0.26 H new ATOM 0 HG11 VAL A 56 -1.447 -1.986 1.213 1.00 0.30 H new ATOM 0 HG12 VAL A 56 -2.113 -2.753 -0.248 1.00 0.30 H new ATOM 0 HG13 VAL A 56 -2.503 -1.056 0.123 1.00 0.30 H new ATOM 0 HG21 VAL A 56 -2.898 -1.466 3.128 1.00 0.44 H new ATOM 0 HG22 VAL A 56 -3.984 -0.522 2.081 1.00 0.44 H new ATOM 0 HG23 VAL A 56 -4.637 -1.840 3.082 1.00 0.44 H new ATOM 835 N GLU A 57 -4.109 -4.556 -0.819 1.00 0.25 N ATOM 836 CA GLU A 57 -3.628 -5.260 -1.983 1.00 0.33 C ATOM 837 C GLU A 57 -4.711 -5.358 -3.059 1.00 0.34 C ATOM 838 O GLU A 57 -4.417 -5.120 -4.229 1.00 0.34 O ATOM 839 CB GLU A 57 -2.929 -6.570 -1.601 1.00 0.42 C ATOM 840 CG GLU A 57 -3.739 -7.602 -0.828 1.00 0.72 C ATOM 841 CD GLU A 57 -3.233 -9.024 -1.059 1.00 1.33 C ATOM 842 OE1 GLU A 57 -2.019 -9.168 -1.327 1.00 2.69 O ATOM 843 OE2 GLU A 57 -4.085 -9.935 -0.985 1.00 2.23 O ATOM 0 H GLU A 57 -4.192 -5.129 0.021 1.00 0.25 H new ATOM 0 HA GLU A 57 -2.838 -4.679 -2.459 1.00 0.33 H new ATOM 0 HB2 GLU A 57 -2.573 -7.040 -2.518 1.00 0.42 H new ATOM 0 HB3 GLU A 57 -2.049 -6.321 -1.008 1.00 0.42 H new ATOM 0 HG2 GLU A 57 -3.696 -7.372 0.237 1.00 0.72 H new ATOM 0 HG3 GLU A 57 -4.785 -7.538 -1.126 1.00 0.72 H new ATOM 850 N SER A 58 -5.976 -5.590 -2.681 1.00 0.42 N ATOM 851 CA SER A 58 -7.094 -5.434 -3.609 1.00 0.48 C ATOM 852 C SER A 58 -7.040 -4.047 -4.256 1.00 0.42 C ATOM 853 O SER A 58 -7.205 -3.920 -5.468 1.00 0.44 O ATOM 854 CB SER A 58 -8.445 -5.650 -2.904 1.00 0.65 C ATOM 855 OG SER A 58 -9.517 -5.655 -3.844 1.00 1.31 O ATOM 0 H SER A 58 -6.245 -5.885 -1.742 1.00 0.42 H new ATOM 0 HA SER A 58 -7.004 -6.195 -4.384 1.00 0.48 H new ATOM 0 HB2 SER A 58 -8.429 -6.595 -2.361 1.00 0.65 H new ATOM 0 HB3 SER A 58 -8.605 -4.862 -2.168 1.00 0.65 H new ATOM 0 HG SER A 58 -10.163 -6.350 -3.599 1.00 1.31 H new ATOM 861 N ALA A 59 -6.822 -3.002 -3.452 1.00 0.40 N ATOM 862 CA ALA A 59 -6.888 -1.625 -3.927 1.00 0.43 C ATOM 863 C ALA A 59 -5.779 -1.365 -4.943 1.00 0.35 C ATOM 864 O ALA A 59 -6.037 -0.864 -6.033 1.00 0.39 O ATOM 865 CB ALA A 59 -6.824 -0.639 -2.760 1.00 0.48 C ATOM 0 H ALA A 59 -6.597 -3.090 -2.461 1.00 0.40 H new ATOM 0 HA ALA A 59 -7.846 -1.473 -4.425 1.00 0.43 H new ATOM 0 HB1 ALA A 59 -6.875 0.381 -3.142 1.00 0.48 H new ATOM 0 HB2 ALA A 59 -7.663 -0.817 -2.087 1.00 0.48 H new ATOM 0 HB3 ALA A 59 -5.888 -0.777 -2.218 1.00 0.48 H new ATOM 871 N LEU A 60 -4.544 -1.725 -4.596 1.00 0.27 N ATOM 872 CA LEU A 60 -3.407 -1.618 -5.499 1.00 0.23 C ATOM 873 C LEU A 60 -3.639 -2.437 -6.764 1.00 0.22 C ATOM 874 O LEU A 60 -3.375 -1.967 -7.867 1.00 0.26 O ATOM 875 CB LEU A 60 -2.129 -2.080 -4.788 1.00 0.20 C ATOM 876 CG LEU A 60 -1.335 -0.871 -4.269 1.00 0.32 C ATOM 877 CD1 LEU A 60 -2.053 -0.278 -3.054 1.00 0.48 C ATOM 878 CD2 LEU A 60 0.093 -1.244 -3.879 1.00 0.63 C ATOM 0 H LEU A 60 -4.307 -2.100 -3.677 1.00 0.27 H new ATOM 0 HA LEU A 60 -3.293 -0.574 -5.790 1.00 0.23 H new ATOM 0 HB2 LEU A 60 -2.385 -2.738 -3.958 1.00 0.20 H new ATOM 0 HB3 LEU A 60 -1.513 -2.660 -5.475 1.00 0.20 H new ATOM 0 HG LEU A 60 -1.278 -0.141 -5.076 1.00 0.32 H new ATOM 0 HD11 LEU A 60 -1.492 0.580 -2.683 1.00 0.48 H new ATOM 0 HD12 LEU A 60 -3.055 0.040 -3.343 1.00 0.48 H new ATOM 0 HD13 LEU A 60 -2.124 -1.032 -2.270 1.00 0.48 H new ATOM 0 HD21 LEU A 60 0.615 -0.358 -3.518 1.00 0.63 H new ATOM 0 HD22 LEU A 60 0.070 -1.997 -3.091 1.00 0.63 H new ATOM 0 HD23 LEU A 60 0.615 -1.644 -4.748 1.00 0.63 H new ATOM 890 N GLN A 61 -4.127 -3.665 -6.615 1.00 0.25 N ATOM 891 CA GLN A 61 -4.357 -4.543 -7.744 1.00 0.31 C ATOM 892 C GLN A 61 -5.405 -3.938 -8.681 1.00 0.36 C ATOM 893 O GLN A 61 -5.232 -3.955 -9.896 1.00 0.41 O ATOM 894 CB GLN A 61 -4.711 -5.931 -7.210 1.00 0.34 C ATOM 895 CG GLN A 61 -4.847 -6.949 -8.340 1.00 0.50 C ATOM 896 CD GLN A 61 -4.666 -8.368 -7.818 1.00 1.02 C ATOM 897 OE1 GLN A 61 -5.622 -9.128 -7.707 1.00 1.47 O ATOM 898 NE2 GLN A 61 -3.429 -8.734 -7.488 1.00 1.33 N ATOM 0 H GLN A 61 -4.371 -4.072 -5.712 1.00 0.25 H new ATOM 0 HA GLN A 61 -3.461 -4.654 -8.355 1.00 0.31 H new ATOM 0 HB2 GLN A 61 -3.941 -6.261 -6.513 1.00 0.34 H new ATOM 0 HB3 GLN A 61 -5.646 -5.879 -6.651 1.00 0.34 H new ATOM 0 HG2 GLN A 61 -5.827 -6.851 -8.807 1.00 0.50 H new ATOM 0 HG3 GLN A 61 -4.105 -6.744 -9.111 1.00 0.50 H new ATOM 0 HE21 GLN A 61 -2.657 -8.076 -7.593 1.00 1.33 H new ATOM 0 HE22 GLN A 61 -3.253 -9.673 -7.130 1.00 1.33 H new ATOM 907 N LYS A 62 -6.467 -3.361 -8.114 1.00 0.40 N ATOM 908 CA LYS A 62 -7.471 -2.624 -8.873 1.00 0.49 C ATOM 909 C LYS A 62 -6.857 -1.401 -9.562 1.00 0.50 C ATOM 910 O LYS A 62 -7.088 -1.171 -10.746 1.00 0.59 O ATOM 911 CB LYS A 62 -8.625 -2.230 -7.960 1.00 0.62 C ATOM 912 CG LYS A 62 -9.530 -3.451 -7.764 1.00 0.91 C ATOM 913 CD LYS A 62 -10.323 -3.235 -6.485 1.00 1.45 C ATOM 914 CE LYS A 62 -11.403 -4.305 -6.289 1.00 2.02 C ATOM 915 NZ LYS A 62 -11.756 -4.460 -4.863 1.00 2.78 N ATOM 0 H LYS A 62 -6.652 -3.394 -7.112 1.00 0.40 H new ATOM 0 HA LYS A 62 -7.860 -3.271 -9.659 1.00 0.49 H new ATOM 0 HB2 LYS A 62 -8.246 -1.882 -6.999 1.00 0.62 H new ATOM 0 HB3 LYS A 62 -9.190 -1.407 -8.397 1.00 0.62 H new ATOM 0 HG2 LYS A 62 -10.201 -3.571 -8.615 1.00 0.91 H new ATOM 0 HG3 LYS A 62 -8.935 -4.362 -7.696 1.00 0.91 H new ATOM 0 HD2 LYS A 62 -9.644 -3.245 -5.632 1.00 1.45 H new ATOM 0 HD3 LYS A 62 -10.789 -2.250 -6.510 1.00 1.45 H new ATOM 0 HE2 LYS A 62 -12.292 -4.035 -6.858 1.00 2.02 H new ATOM 0 HE3 LYS A 62 -11.049 -5.258 -6.683 1.00 2.02 H new ATOM 0 HZ1 LYS A 62 -12.525 -5.154 -4.769 1.00 2.78 H new ATOM 0 HZ2 LYS A 62 -10.924 -4.790 -4.333 1.00 2.78 H new ATOM 0 HZ3 LYS A 62 -12.068 -3.544 -4.481 1.00 2.78 H new ATOM 929 N ALA A 63 -6.096 -0.601 -8.810 1.00 0.44 N ATOM 930 CA ALA A 63 -5.478 0.621 -9.305 1.00 0.46 C ATOM 931 C ALA A 63 -4.483 0.328 -10.433 1.00 0.46 C ATOM 932 O ALA A 63 -4.366 1.120 -11.365 1.00 0.53 O ATOM 933 CB ALA A 63 -4.811 1.367 -8.147 1.00 0.43 C ATOM 0 H ALA A 63 -5.892 -0.791 -7.829 1.00 0.44 H new ATOM 0 HA ALA A 63 -6.254 1.259 -9.728 1.00 0.46 H new ATOM 0 HB1 ALA A 63 -4.349 2.281 -8.521 1.00 0.43 H new ATOM 0 HB2 ALA A 63 -5.561 1.619 -7.397 1.00 0.43 H new ATOM 0 HB3 ALA A 63 -4.047 0.733 -7.697 1.00 0.43 H new ATOM 939 N GLY A 64 -3.779 -0.804 -10.343 1.00 0.42 N ATOM 940 CA GLY A 64 -2.936 -1.344 -11.400 1.00 0.47 C ATOM 941 C GLY A 64 -1.497 -1.560 -10.935 1.00 0.44 C ATOM 942 O GLY A 64 -0.563 -1.182 -11.639 1.00 0.59 O ATOM 0 H GLY A 64 -3.784 -1.384 -9.504 1.00 0.42 H new ATOM 0 HA2 GLY A 64 -3.351 -2.291 -11.745 1.00 0.47 H new ATOM 0 HA3 GLY A 64 -2.943 -0.664 -12.252 1.00 0.47 H new ATOM 946 N TYR A 65 -1.305 -2.178 -9.764 1.00 0.33 N ATOM 947 CA TYR A 65 -0.004 -2.526 -9.224 1.00 0.35 C ATOM 948 C TYR A 65 0.026 -4.018 -8.898 1.00 0.43 C ATOM 949 O TYR A 65 -0.962 -4.587 -8.440 1.00 0.90 O ATOM 950 CB TYR A 65 0.235 -1.709 -7.961 1.00 0.31 C ATOM 951 CG TYR A 65 0.318 -0.212 -8.176 1.00 0.33 C ATOM 952 CD1 TYR A 65 -0.861 0.555 -8.213 1.00 1.74 C ATOM 953 CD2 TYR A 65 1.563 0.407 -8.391 1.00 1.95 C ATOM 954 CE1 TYR A 65 -0.801 1.930 -8.491 1.00 1.76 C ATOM 955 CE2 TYR A 65 1.623 1.788 -8.649 1.00 1.96 C ATOM 956 CZ TYR A 65 0.442 2.545 -8.710 1.00 0.50 C ATOM 957 OH TYR A 65 0.515 3.884 -8.936 1.00 0.62 O ATOM 0 H TYR A 65 -2.077 -2.453 -9.157 1.00 0.33 H new ATOM 0 HA TYR A 65 0.778 -2.308 -9.952 1.00 0.35 H new ATOM 0 HB2 TYR A 65 -0.569 -1.916 -7.254 1.00 0.31 H new ATOM 0 HB3 TYR A 65 1.162 -2.047 -7.497 1.00 0.31 H new ATOM 0 HD1 TYR A 65 -1.815 0.085 -8.027 1.00 1.74 H new ATOM 0 HD2 TYR A 65 2.471 -0.177 -8.358 1.00 1.95 H new ATOM 0 HE1 TYR A 65 -1.709 2.513 -8.536 1.00 1.76 H new ATOM 0 HE2 TYR A 65 2.579 2.267 -8.800 1.00 1.96 H new ATOM 0 HH TYR A 65 -0.220 4.335 -8.471 1.00 0.62 H new ATOM 967 N SER A 66 1.179 -4.647 -9.116 1.00 0.36 N ATOM 968 CA SER A 66 1.388 -6.080 -8.973 1.00 0.43 C ATOM 969 C SER A 66 2.121 -6.342 -7.662 1.00 0.42 C ATOM 970 O SER A 66 3.269 -6.783 -7.659 1.00 0.61 O ATOM 971 CB SER A 66 2.165 -6.603 -10.185 1.00 0.58 C ATOM 972 OG SER A 66 2.499 -7.966 -10.020 1.00 2.21 O ATOM 0 H SER A 66 2.022 -4.152 -9.407 1.00 0.36 H new ATOM 0 HA SER A 66 0.437 -6.611 -8.940 1.00 0.43 H new ATOM 0 HB2 SER A 66 1.566 -6.478 -11.087 1.00 0.58 H new ATOM 0 HB3 SER A 66 3.073 -6.016 -10.321 1.00 0.58 H new ATOM 0 HG SER A 66 3.014 -8.079 -9.194 1.00 2.21 H new ATOM 978 N LEU A 67 1.442 -6.074 -6.551 1.00 0.34 N ATOM 979 CA LEU A 67 2.019 -6.289 -5.234 1.00 0.36 C ATOM 980 C LEU A 67 1.961 -7.739 -4.770 1.00 0.37 C ATOM 981 O LEU A 67 1.264 -8.563 -5.363 1.00 0.41 O ATOM 982 CB LEU A 67 1.520 -5.307 -4.208 1.00 0.41 C ATOM 983 CG LEU A 67 0.341 -5.776 -3.382 1.00 0.55 C ATOM 984 CD1 LEU A 67 0.004 -4.492 -2.652 1.00 1.51 C ATOM 985 CD2 LEU A 67 -0.827 -6.257 -4.238 1.00 1.83 C ATOM 0 H LEU A 67 0.490 -5.707 -6.540 1.00 0.34 H new ATOM 0 HA LEU A 67 3.083 -6.079 -5.345 1.00 0.36 H new ATOM 0 HB2 LEU A 67 2.341 -5.063 -3.534 1.00 0.41 H new ATOM 0 HB3 LEU A 67 1.241 -4.385 -4.718 1.00 0.41 H new ATOM 0 HG LEU A 67 0.554 -6.634 -2.745 1.00 0.55 H new ATOM 0 HD11 LEU A 67 -0.849 -4.660 -1.995 1.00 1.51 H new ATOM 0 HD12 LEU A 67 0.862 -4.175 -2.059 1.00 1.51 H new ATOM 0 HD13 LEU A 67 -0.244 -3.716 -3.376 1.00 1.51 H new ATOM 0 HD21 LEU A 67 -1.643 -6.581 -3.592 1.00 1.83 H new ATOM 0 HD22 LEU A 67 -1.171 -5.442 -4.875 1.00 1.83 H new ATOM 0 HD23 LEU A 67 -0.503 -7.092 -4.859 1.00 1.83 H new ATOM 997 N ARG A 68 2.687 -8.036 -3.691 1.00 0.38 N ATOM 998 CA ARG A 68 2.590 -9.296 -2.987 1.00 0.41 C ATOM 999 C ARG A 68 2.681 -9.055 -1.484 1.00 0.48 C ATOM 1000 O ARG A 68 3.380 -8.142 -1.037 1.00 0.53 O ATOM 1001 CB ARG A 68 3.660 -10.269 -3.486 1.00 0.46 C ATOM 1002 CG ARG A 68 3.478 -11.626 -2.806 1.00 0.57 C ATOM 1003 CD ARG A 68 4.324 -12.696 -3.505 1.00 1.45 C ATOM 1004 NE ARG A 68 4.052 -14.044 -2.976 1.00 1.93 N ATOM 1005 CZ ARG A 68 3.098 -14.879 -3.428 1.00 2.32 C ATOM 1006 NH1 ARG A 68 2.212 -14.454 -4.334 1.00 2.79 N ATOM 1007 NH2 ARG A 68 3.042 -16.136 -2.972 1.00 3.27 N ATOM 0 H ARG A 68 3.366 -7.393 -3.283 1.00 0.38 H new ATOM 0 HA ARG A 68 1.623 -9.756 -3.189 1.00 0.41 H new ATOM 0 HB2 ARG A 68 3.588 -10.381 -4.568 1.00 0.46 H new ATOM 0 HB3 ARG A 68 4.653 -9.874 -3.272 1.00 0.46 H new ATOM 0 HG2 ARG A 68 3.766 -11.555 -1.757 1.00 0.57 H new ATOM 0 HG3 ARG A 68 2.427 -11.913 -2.830 1.00 0.57 H new ATOM 0 HD2 ARG A 68 4.120 -12.678 -4.576 1.00 1.45 H new ATOM 0 HD3 ARG A 68 5.381 -12.463 -3.378 1.00 1.45 H new ATOM 0 HE ARG A 68 4.634 -14.371 -2.205 1.00 1.93 H new ATOM 0 HH11 ARG A 68 2.259 -13.497 -4.683 1.00 2.79 H new ATOM 0 HH12 ARG A 68 1.489 -15.087 -4.676 1.00 2.79 H new ATOM 0 HH21 ARG A 68 3.721 -16.459 -2.283 1.00 3.27 H new ATOM 0 HH22 ARG A 68 2.320 -16.771 -3.313 1.00 3.27 H new ATOM 1021 N ASP A 69 1.939 -9.890 -0.751 1.00 0.63 N ATOM 1022 CA ASP A 69 1.635 -9.782 0.662 1.00 0.97 C ATOM 1023 C ASP A 69 2.864 -9.990 1.548 1.00 1.14 C ATOM 1024 O ASP A 69 3.478 -11.056 1.493 1.00 1.39 O ATOM 1025 CB ASP A 69 0.463 -10.726 0.961 1.00 1.40 C ATOM 1026 CG ASP A 69 -0.343 -10.297 2.172 1.00 2.63 C ATOM 1027 OD1 ASP A 69 -0.173 -9.135 2.623 1.00 3.52 O ATOM 1028 OD2 ASP A 69 -1.082 -11.163 2.692 1.00 3.58 O ATOM 0 H ASP A 69 1.508 -10.715 -1.168 1.00 0.63 H new ATOM 0 HA ASP A 69 1.328 -8.766 0.909 1.00 0.97 H new ATOM 0 HB2 ASP A 69 -0.192 -10.771 0.091 1.00 1.40 H new ATOM 0 HB3 ASP A 69 0.846 -11.733 1.124 1.00 1.40 H new ATOM 1033 N GLU A 70 3.250 -8.962 2.321 1.00 1.18 N ATOM 1034 CA GLU A 70 4.514 -8.907 3.049 1.00 1.19 C ATOM 1035 C GLU A 70 4.286 -8.411 4.490 1.00 1.30 C ATOM 1036 O GLU A 70 4.803 -7.382 4.937 1.00 1.46 O ATOM 1037 CB GLU A 70 5.505 -8.042 2.244 1.00 1.18 C ATOM 1038 CG GLU A 70 6.787 -8.800 1.900 1.00 1.27 C ATOM 1039 CD GLU A 70 7.894 -7.883 1.384 1.00 1.37 C ATOM 1040 OE1 GLU A 70 7.762 -6.650 1.556 1.00 1.95 O ATOM 1041 OE2 GLU A 70 8.859 -8.442 0.821 1.00 2.53 O ATOM 0 H GLU A 70 2.674 -8.131 2.456 1.00 1.18 H new ATOM 0 HA GLU A 70 4.951 -9.901 3.150 1.00 1.19 H new ATOM 0 HB2 GLU A 70 5.026 -7.705 1.324 1.00 1.18 H new ATOM 0 HB3 GLU A 70 5.755 -7.150 2.818 1.00 1.18 H new ATOM 0 HG2 GLU A 70 7.141 -9.327 2.786 1.00 1.27 H new ATOM 0 HG3 GLU A 70 6.566 -9.556 1.146 1.00 1.27 H new