USER MOD reduce.3.24.130724 H: found=0, std=0, add=520, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 522 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 2 SER OG : rot -40:sc= 0.327 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 CYS SG : rot 120:sc= -1.26 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -0.033 X(o=-0.033,f=-0.49) USER MOD Single : A 10 THR OG1 : rot 57:sc= 0.308 USER MOD Single : A 16 SER OG : rot 26:sc= 0.215 USER MOD Single : A 17 CYS SG : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -0.177 X(o=-0.18,f=-0.00051) USER MOD Single : A 24 ASN : amide:sc= -1.59 X(o=-1.6,f=-1.3) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= -0.285 USER MOD Single : A 39 MET CE :methyl -132:sc= 0 (180deg=-0.0798) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 30:sc= -0.0795 USER MOD Single : A 48 ASN : amide:sc=-0.00178 K(o=-0.0018,f=-0.67) USER MOD Single : A 53 GLN : amide:sc= -0.323 X(o=-0.32,f=-0.32) USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 17 N SER A 2 -14.015 -4.048 8.296 1.00 2.63 N ATOM 18 CA SER A 2 -12.794 -3.306 8.023 1.00 2.10 C ATOM 19 C SER A 2 -11.627 -3.748 8.903 1.00 1.50 C ATOM 20 O SER A 2 -11.775 -3.760 10.124 1.00 1.48 O ATOM 21 CB SER A 2 -13.079 -1.823 8.265 1.00 2.32 C ATOM 22 OG SER A 2 -13.678 -1.679 9.538 1.00 2.93 O ATOM 0 HA SER A 2 -12.501 -3.496 6.990 1.00 2.10 H new ATOM 0 HB2 SER A 2 -12.155 -1.247 8.215 1.00 2.32 H new ATOM 0 HB3 SER A 2 -13.739 -1.434 7.490 1.00 2.32 H new ATOM 0 HG SER A 2 -14.321 -2.404 9.681 1.00 2.93 H new ATOM 28 N SER A 3 -10.486 -4.031 8.275 1.00 1.26 N ATOM 29 CA SER A 3 -9.261 -4.478 8.913 1.00 0.92 C ATOM 30 C SER A 3 -8.063 -3.887 8.172 1.00 0.66 C ATOM 31 O SER A 3 -8.233 -3.145 7.202 1.00 0.91 O ATOM 32 CB SER A 3 -9.244 -6.016 8.980 1.00 1.72 C ATOM 33 OG SER A 3 -10.028 -6.427 10.080 1.00 3.21 O ATOM 0 H SER A 3 -10.393 -3.949 7.263 1.00 1.26 H new ATOM 0 HA SER A 3 -9.204 -4.123 9.942 1.00 0.92 H new ATOM 0 HB2 SER A 3 -9.637 -6.439 8.056 1.00 1.72 H new ATOM 0 HB3 SER A 3 -8.222 -6.379 9.087 1.00 1.72 H new ATOM 0 HG SER A 3 -10.028 -7.405 10.134 1.00 3.21 H new ATOM 39 N LYS A 4 -6.848 -4.174 8.645 1.00 0.47 N ATOM 40 CA LYS A 4 -5.637 -3.643 8.041 1.00 0.45 C ATOM 41 C LYS A 4 -5.286 -4.440 6.784 1.00 0.48 C ATOM 42 O LYS A 4 -5.512 -5.646 6.721 1.00 0.68 O ATOM 43 CB LYS A 4 -4.469 -3.669 9.044 1.00 0.68 C ATOM 44 CG LYS A 4 -4.223 -2.297 9.691 1.00 1.52 C ATOM 45 CD LYS A 4 -2.965 -2.355 10.577 1.00 2.24 C ATOM 46 CE LYS A 4 -2.241 -1.002 10.738 1.00 3.26 C ATOM 47 NZ LYS A 4 -2.669 -0.245 11.931 1.00 3.83 N ATOM 0 H LYS A 4 -6.683 -4.777 9.451 1.00 0.47 H new ATOM 0 HA LYS A 4 -5.815 -2.605 7.760 1.00 0.45 H new ATOM 0 HB2 LYS A 4 -4.678 -4.403 9.822 1.00 0.68 H new ATOM 0 HB3 LYS A 4 -3.563 -3.995 8.534 1.00 0.68 H new ATOM 0 HG2 LYS A 4 -4.100 -1.538 8.919 1.00 1.52 H new ATOM 0 HG3 LYS A 4 -5.087 -2.007 10.289 1.00 1.52 H new ATOM 0 HD2 LYS A 4 -3.246 -2.723 11.564 1.00 2.24 H new ATOM 0 HD3 LYS A 4 -2.269 -3.079 10.153 1.00 2.24 H new ATOM 0 HE2 LYS A 4 -1.167 -1.178 10.795 1.00 3.26 H new ATOM 0 HE3 LYS A 4 -2.418 -0.396 9.850 1.00 3.26 H new ATOM 0 HZ1 LYS A 4 -2.145 0.652 11.979 1.00 3.83 H new ATOM 0 HZ2 LYS A 4 -3.688 -0.048 11.870 1.00 3.83 H new ATOM 0 HZ3 LYS A 4 -2.476 -0.805 12.786 1.00 3.83 H new ATOM 61 N CYS A 5 -4.727 -3.742 5.793 1.00 0.54 N ATOM 62 CA CYS A 5 -4.183 -4.325 4.581 1.00 0.66 C ATOM 63 C CYS A 5 -2.670 -4.399 4.736 1.00 0.58 C ATOM 64 O CYS A 5 -1.990 -3.386 4.906 1.00 0.59 O ATOM 65 CB CYS A 5 -4.551 -3.476 3.369 1.00 0.92 C ATOM 66 SG CYS A 5 -3.560 -4.020 1.964 1.00 1.74 S ATOM 0 H CYS A 5 -4.642 -2.726 5.820 1.00 0.54 H new ATOM 0 HA CYS A 5 -4.596 -5.322 4.425 1.00 0.66 H new ATOM 0 HB2 CYS A 5 -5.613 -3.577 3.145 1.00 0.92 H new ATOM 0 HB3 CYS A 5 -4.368 -2.422 3.576 1.00 0.92 H new ATOM 0 HG CYS A 5 -4.345 -4.430 1.012 1.00 1.74 H new ATOM 72 N TYR A 6 -2.143 -5.616 4.686 1.00 0.55 N ATOM 73 CA TYR A 6 -0.717 -5.845 4.700 1.00 0.56 C ATOM 74 C TYR A 6 -0.269 -5.925 3.252 1.00 0.66 C ATOM 75 O TYR A 6 -0.871 -6.639 2.457 1.00 0.98 O ATOM 76 CB TYR A 6 -0.402 -7.139 5.456 1.00 0.68 C ATOM 77 CG TYR A 6 -0.201 -6.941 6.942 1.00 0.97 C ATOM 78 CD1 TYR A 6 0.928 -6.237 7.396 1.00 1.86 C ATOM 79 CD2 TYR A 6 -1.109 -7.488 7.868 1.00 2.46 C ATOM 80 CE1 TYR A 6 1.173 -6.113 8.773 1.00 2.19 C ATOM 81 CE2 TYR A 6 -0.855 -7.374 9.247 1.00 3.10 C ATOM 82 CZ TYR A 6 0.289 -6.694 9.697 1.00 2.43 C ATOM 83 OH TYR A 6 0.577 -6.629 11.026 1.00 3.17 O ATOM 0 H TYR A 6 -2.700 -6.469 4.635 1.00 0.55 H new ATOM 0 HA TYR A 6 -0.188 -5.041 5.211 1.00 0.56 H new ATOM 0 HB2 TYR A 6 -1.215 -7.848 5.300 1.00 0.68 H new ATOM 0 HB3 TYR A 6 0.497 -7.587 5.033 1.00 0.68 H new ATOM 0 HD1 TYR A 6 1.608 -5.791 6.685 1.00 1.86 H new ATOM 0 HD2 TYR A 6 -1.998 -7.994 7.521 1.00 2.46 H new ATOM 0 HE1 TYR A 6 2.040 -5.572 9.121 1.00 2.19 H new ATOM 0 HE2 TYR A 6 -1.540 -7.809 9.960 1.00 3.10 H new ATOM 0 HH TYR A 6 -0.131 -7.075 11.536 1.00 3.17 H new ATOM 93 N ILE A 7 0.791 -5.204 2.903 1.00 0.45 N ATOM 94 CA ILE A 7 1.427 -5.339 1.606 1.00 0.40 C ATOM 95 C ILE A 7 2.909 -5.531 1.894 1.00 0.36 C ATOM 96 O ILE A 7 3.454 -4.876 2.786 1.00 0.53 O ATOM 97 CB ILE A 7 1.120 -4.127 0.698 1.00 0.45 C ATOM 98 CG1 ILE A 7 -0.336 -3.668 0.891 1.00 0.62 C ATOM 99 CG2 ILE A 7 1.352 -4.470 -0.782 1.00 0.43 C ATOM 100 CD1 ILE A 7 -0.793 -2.601 -0.106 1.00 1.15 C ATOM 0 H ILE A 7 1.229 -4.513 3.512 1.00 0.45 H new ATOM 0 HA ILE A 7 1.045 -6.191 1.044 1.00 0.40 H new ATOM 0 HB ILE A 7 1.797 -3.322 0.982 1.00 0.45 H new ATOM 0 HG12 ILE A 7 -0.993 -4.534 0.806 1.00 0.62 H new ATOM 0 HG13 ILE A 7 -0.452 -3.278 1.902 1.00 0.62 H new ATOM 0 HG21 ILE A 7 1.128 -3.598 -1.397 1.00 0.43 H new ATOM 0 HG22 ILE A 7 2.392 -4.760 -0.929 1.00 0.43 H new ATOM 0 HG23 ILE A 7 0.701 -5.295 -1.071 1.00 0.43 H new ATOM 0 HD11 ILE A 7 -1.830 -2.332 0.098 1.00 1.15 H new ATOM 0 HD12 ILE A 7 -0.163 -1.717 -0.007 1.00 1.15 H new ATOM 0 HD13 ILE A 7 -0.713 -2.992 -1.120 1.00 1.15 H new ATOM 112 N GLN A 8 3.552 -6.465 1.193 1.00 0.40 N ATOM 113 CA GLN A 8 5.002 -6.586 1.234 1.00 0.51 C ATOM 114 C GLN A 8 5.580 -6.231 -0.128 1.00 0.56 C ATOM 115 O GLN A 8 4.835 -6.031 -1.091 1.00 0.47 O ATOM 116 CB GLN A 8 5.443 -7.968 1.736 1.00 0.60 C ATOM 117 CG GLN A 8 4.740 -8.304 3.056 1.00 2.31 C ATOM 118 CD GLN A 8 5.533 -9.286 3.916 1.00 2.13 C ATOM 119 OE1 GLN A 8 6.740 -9.145 4.082 1.00 1.59 O ATOM 120 NE2 GLN A 8 4.866 -10.264 4.520 1.00 3.64 N ATOM 0 H GLN A 8 3.089 -7.146 0.592 1.00 0.40 H new ATOM 0 HA GLN A 8 5.402 -5.877 1.959 1.00 0.51 H new ATOM 0 HB2 GLN A 8 5.209 -8.726 0.988 1.00 0.60 H new ATOM 0 HB3 GLN A 8 6.524 -7.983 1.878 1.00 0.60 H new ATOM 0 HG2 GLN A 8 4.576 -7.385 3.619 1.00 2.31 H new ATOM 0 HG3 GLN A 8 3.758 -8.726 2.842 1.00 2.31 H new ATOM 0 HE21 GLN A 8 3.862 -10.365 4.370 1.00 3.64 H new ATOM 0 HE22 GLN A 8 5.358 -10.913 5.134 1.00 3.64 H new ATOM 129 N VAL A 9 6.906 -6.113 -0.179 1.00 0.93 N ATOM 130 CA VAL A 9 7.631 -5.638 -1.342 1.00 1.03 C ATOM 131 C VAL A 9 9.028 -6.252 -1.311 1.00 1.25 C ATOM 132 O VAL A 9 9.535 -6.555 -0.231 1.00 1.64 O ATOM 133 CB VAL A 9 7.678 -4.101 -1.290 1.00 1.25 C ATOM 134 CG1 VAL A 9 8.674 -3.607 -0.237 1.00 3.13 C ATOM 135 CG2 VAL A 9 7.963 -3.511 -2.676 1.00 2.51 C ATOM 0 H VAL A 9 7.512 -6.351 0.606 1.00 0.93 H new ATOM 0 HA VAL A 9 7.146 -5.931 -2.273 1.00 1.03 H new ATOM 0 HB VAL A 9 6.694 -3.745 -0.984 1.00 1.25 H new ATOM 0 HG11 VAL A 9 8.682 -2.517 -0.227 1.00 3.13 H new ATOM 0 HG12 VAL A 9 8.379 -3.977 0.745 1.00 3.13 H new ATOM 0 HG13 VAL A 9 9.671 -3.975 -0.478 1.00 3.13 H new ATOM 0 HG21 VAL A 9 7.991 -2.423 -2.610 1.00 2.51 H new ATOM 0 HG22 VAL A 9 8.924 -3.877 -3.037 1.00 2.51 H new ATOM 0 HG23 VAL A 9 7.177 -3.812 -3.368 1.00 2.51 H new ATOM 145 N THR A 10 9.663 -6.426 -2.470 1.00 1.14 N ATOM 146 CA THR A 10 10.989 -7.017 -2.572 1.00 1.39 C ATOM 147 C THR A 10 12.001 -5.943 -2.962 1.00 1.55 C ATOM 148 O THR A 10 12.592 -6.010 -4.038 1.00 1.82 O ATOM 149 CB THR A 10 10.927 -8.173 -3.577 1.00 1.41 C ATOM 150 OG1 THR A 10 10.512 -7.667 -4.829 1.00 1.61 O ATOM 151 CG2 THR A 10 9.943 -9.253 -3.111 1.00 2.19 C ATOM 0 H THR A 10 9.265 -6.157 -3.370 1.00 1.14 H new ATOM 0 HA THR A 10 11.317 -7.422 -1.615 1.00 1.39 H new ATOM 0 HB THR A 10 11.916 -8.624 -3.658 1.00 1.41 H new ATOM 0 HG1 THR A 10 11.128 -6.961 -5.117 1.00 1.61 H new ATOM 0 HG21 THR A 10 9.918 -10.062 -3.841 1.00 2.19 H new ATOM 0 HG22 THR A 10 10.264 -9.646 -2.146 1.00 2.19 H new ATOM 0 HG23 THR A 10 8.947 -8.820 -3.014 1.00 2.19 H new ATOM 218 N SER A 16 12.355 7.228 -0.307 1.00 1.38 N ATOM 219 CA SER A 16 11.387 8.330 -0.387 1.00 1.23 C ATOM 220 C SER A 16 10.314 8.142 -1.459 1.00 1.35 C ATOM 221 O SER A 16 9.608 9.091 -1.789 1.00 2.26 O ATOM 222 CB SER A 16 12.120 9.667 -0.547 1.00 1.54 C ATOM 223 OG SER A 16 13.111 9.793 0.454 1.00 2.07 O ATOM 0 HA SER A 16 10.841 8.331 0.556 1.00 1.23 H new ATOM 0 HB2 SER A 16 12.578 9.725 -1.534 1.00 1.54 H new ATOM 0 HB3 SER A 16 11.411 10.492 -0.475 1.00 1.54 H new ATOM 0 HG SER A 16 13.396 8.902 0.746 1.00 2.07 H new ATOM 229 N CYS A 17 10.149 6.917 -1.961 1.00 0.91 N ATOM 230 CA CYS A 17 9.134 6.626 -2.954 1.00 1.11 C ATOM 231 C CYS A 17 7.806 6.360 -2.241 1.00 0.93 C ATOM 232 O CYS A 17 6.763 6.803 -2.716 1.00 0.96 O ATOM 233 CB CYS A 17 9.544 5.477 -3.871 1.00 1.33 C ATOM 234 SG CYS A 17 8.690 5.668 -5.455 1.00 2.84 S ATOM 0 H CYS A 17 10.713 6.112 -1.689 1.00 0.91 H new ATOM 0 HA CYS A 17 9.014 7.489 -3.608 1.00 1.11 H new ATOM 0 HB2 CYS A 17 10.624 5.480 -4.021 1.00 1.33 H new ATOM 0 HB3 CYS A 17 9.288 4.520 -3.416 1.00 1.33 H new ATOM 0 HG CYS A 17 9.029 4.698 -6.251 1.00 2.84 H new ATOM 240 N VAL A 18 7.845 5.674 -1.081 1.00 0.79 N ATOM 241 CA VAL A 18 6.660 5.366 -0.286 1.00 0.71 C ATOM 242 C VAL A 18 5.835 6.619 -0.073 1.00 0.68 C ATOM 243 O VAL A 18 4.658 6.586 -0.377 1.00 0.67 O ATOM 244 CB VAL A 18 6.940 4.643 1.047 1.00 0.74 C ATOM 245 CG1 VAL A 18 7.046 3.126 0.845 1.00 2.25 C ATOM 246 CG2 VAL A 18 8.076 5.222 1.900 1.00 2.44 C ATOM 0 H VAL A 18 8.711 5.320 -0.675 1.00 0.79 H new ATOM 0 HA VAL A 18 6.090 4.644 -0.870 1.00 0.71 H new ATOM 0 HB VAL A 18 6.062 4.842 1.662 1.00 0.74 H new ATOM 0 HG11 VAL A 18 7.244 2.644 1.803 1.00 2.25 H new ATOM 0 HG12 VAL A 18 6.110 2.747 0.435 1.00 2.25 H new ATOM 0 HG13 VAL A 18 7.860 2.907 0.154 1.00 2.25 H new ATOM 0 HG21 VAL A 18 8.182 4.634 2.812 1.00 2.44 H new ATOM 0 HG22 VAL A 18 9.008 5.188 1.336 1.00 2.44 H new ATOM 0 HG23 VAL A 18 7.846 6.256 2.159 1.00 2.44 H new ATOM 256 N ALA A 19 6.451 7.726 0.344 1.00 0.76 N ATOM 257 CA ALA A 19 5.791 9.007 0.567 1.00 0.80 C ATOM 258 C ALA A 19 4.709 9.297 -0.482 1.00 0.77 C ATOM 259 O ALA A 19 3.587 9.678 -0.145 1.00 0.78 O ATOM 260 CB ALA A 19 6.851 10.111 0.579 1.00 0.92 C ATOM 0 H ALA A 19 7.451 7.754 0.541 1.00 0.76 H new ATOM 0 HA ALA A 19 5.280 8.970 1.529 1.00 0.80 H new ATOM 0 HB1 ALA A 19 6.370 11.075 0.745 1.00 0.92 H new ATOM 0 HB2 ALA A 19 7.567 9.920 1.379 1.00 0.92 H new ATOM 0 HB3 ALA A 19 7.372 10.125 -0.378 1.00 0.92 H new ATOM 266 N ASN A 20 5.038 9.084 -1.760 1.00 0.78 N ATOM 267 CA ASN A 20 4.093 9.239 -2.855 1.00 0.74 C ATOM 268 C ASN A 20 2.924 8.261 -2.714 1.00 0.63 C ATOM 269 O ASN A 20 1.765 8.673 -2.687 1.00 0.66 O ATOM 270 CB ASN A 20 4.829 9.037 -4.183 1.00 0.78 C ATOM 271 CG ASN A 20 3.856 9.084 -5.359 1.00 0.74 C ATOM 272 OD1 ASN A 20 3.603 10.143 -5.919 1.00 1.08 O ATOM 273 ND2 ASN A 20 3.292 7.939 -5.740 1.00 1.12 N ATOM 0 H ASN A 20 5.971 8.799 -2.058 1.00 0.78 H new ATOM 0 HA ASN A 20 3.673 10.245 -2.830 1.00 0.74 H new ATOM 0 HB2 ASN A 20 5.589 9.809 -4.303 1.00 0.78 H new ATOM 0 HB3 ASN A 20 5.348 8.078 -4.173 1.00 0.78 H new ATOM 0 HD21 ASN A 20 2.631 7.930 -6.517 1.00 1.12 H new ATOM 0 HD22 ASN A 20 3.521 7.071 -5.255 1.00 1.12 H new ATOM 280 N ILE A 21 3.227 6.960 -2.637 1.00 0.57 N ATOM 281 CA ILE A 21 2.223 5.919 -2.462 1.00 0.54 C ATOM 282 C ILE A 21 1.363 6.242 -1.240 1.00 0.52 C ATOM 283 O ILE A 21 0.144 6.311 -1.364 1.00 0.60 O ATOM 284 CB ILE A 21 2.884 4.529 -2.321 1.00 0.55 C ATOM 285 CG1 ILE A 21 3.437 3.985 -3.649 1.00 0.62 C ATOM 286 CG2 ILE A 21 1.921 3.480 -1.780 1.00 0.63 C ATOM 287 CD1 ILE A 21 4.850 4.510 -3.895 1.00 1.91 C ATOM 0 H ILE A 21 4.181 6.604 -2.695 1.00 0.57 H new ATOM 0 HA ILE A 21 1.587 5.889 -3.346 1.00 0.54 H new ATOM 0 HB ILE A 21 3.702 4.696 -1.620 1.00 0.55 H new ATOM 0 HG12 ILE A 21 3.446 2.895 -3.627 1.00 0.62 H new ATOM 0 HG13 ILE A 21 2.784 4.281 -4.470 1.00 0.62 H new ATOM 0 HG21 ILE A 21 2.434 2.522 -1.700 1.00 0.63 H new ATOM 0 HG22 ILE A 21 1.566 3.785 -0.796 1.00 0.63 H new ATOM 0 HG23 ILE A 21 1.072 3.382 -2.457 1.00 0.63 H new ATOM 0 HD11 ILE A 21 5.226 4.115 -4.839 1.00 1.91 H new ATOM 0 HD12 ILE A 21 4.831 5.599 -3.939 1.00 1.91 H new ATOM 0 HD13 ILE A 21 5.503 4.191 -3.083 1.00 1.91 H new ATOM 299 N GLU A 22 1.982 6.439 -0.077 1.00 0.53 N ATOM 300 CA GLU A 22 1.345 6.822 1.162 1.00 0.58 C ATOM 301 C GLU A 22 0.267 7.855 0.896 1.00 0.67 C ATOM 302 O GLU A 22 -0.896 7.565 1.103 1.00 0.78 O ATOM 303 CB GLU A 22 2.384 7.372 2.144 1.00 0.60 C ATOM 304 CG GLU A 22 3.276 6.263 2.690 1.00 0.66 C ATOM 305 CD GLU A 22 4.346 6.837 3.606 1.00 0.83 C ATOM 306 OE1 GLU A 22 3.955 7.332 4.686 1.00 1.59 O ATOM 307 OE2 GLU A 22 5.523 6.820 3.188 1.00 1.92 O ATOM 0 H GLU A 22 2.991 6.328 0.021 1.00 0.53 H new ATOM 0 HA GLU A 22 0.881 5.942 1.607 1.00 0.58 H new ATOM 0 HB2 GLU A 22 2.998 8.122 1.644 1.00 0.60 H new ATOM 0 HB3 GLU A 22 1.878 7.873 2.969 1.00 0.60 H new ATOM 0 HG2 GLU A 22 2.672 5.539 3.237 1.00 0.66 H new ATOM 0 HG3 GLU A 22 3.745 5.727 1.865 1.00 0.66 H new ATOM 314 N ARG A 23 0.647 9.030 0.399 1.00 0.71 N ATOM 315 CA ARG A 23 -0.233 10.128 0.021 1.00 0.83 C ATOM 316 C ARG A 23 -1.369 9.686 -0.907 1.00 0.87 C ATOM 317 O ARG A 23 -2.470 10.230 -0.790 1.00 1.09 O ATOM 318 CB ARG A 23 0.593 11.249 -0.636 1.00 0.94 C ATOM 319 CG ARG A 23 0.362 12.644 -0.041 1.00 1.52 C ATOM 320 CD ARG A 23 -0.731 13.453 -0.750 1.00 2.39 C ATOM 321 NE ARG A 23 -2.093 13.087 -0.328 1.00 4.41 N ATOM 322 CZ ARG A 23 -3.143 13.913 -0.478 1.00 5.75 C ATOM 323 NH1 ARG A 23 -3.050 14.947 -1.322 1.00 5.55 N ATOM 324 NH2 ARG A 23 -4.269 13.722 0.218 1.00 7.71 N ATOM 0 H ARG A 23 1.630 9.251 0.242 1.00 0.71 H new ATOM 0 HA ARG A 23 -0.703 10.498 0.932 1.00 0.83 H new ATOM 0 HB2 ARG A 23 1.651 11.002 -0.549 1.00 0.94 H new ATOM 0 HB3 ARG A 23 0.359 11.279 -1.700 1.00 0.94 H new ATOM 0 HG2 ARG A 23 0.097 12.539 1.011 1.00 1.52 H new ATOM 0 HG3 ARG A 23 1.297 13.204 -0.080 1.00 1.52 H new ATOM 0 HD2 ARG A 23 -0.571 14.514 -0.557 1.00 2.39 H new ATOM 0 HD3 ARG A 23 -0.640 13.308 -1.826 1.00 2.39 H new ATOM 0 HE ARG A 23 -2.246 12.171 0.095 1.00 4.41 H new ATOM 0 HH11 ARG A 23 -2.188 15.103 -1.845 1.00 5.55 H new ATOM 0 HH12 ARG A 23 -3.841 15.579 -1.443 1.00 5.55 H new ATOM 0 HH21 ARG A 23 -4.338 12.942 0.872 1.00 7.71 H new ATOM 0 HH22 ARG A 23 -5.058 14.356 0.095 1.00 7.71 H new ATOM 338 N ASN A 24 -1.103 8.753 -1.831 1.00 0.73 N ATOM 339 CA ASN A 24 -2.060 8.278 -2.814 1.00 0.73 C ATOM 340 C ASN A 24 -3.112 7.424 -2.097 1.00 0.75 C ATOM 341 O ASN A 24 -4.308 7.621 -2.282 1.00 0.91 O ATOM 342 CB ASN A 24 -1.293 7.546 -3.936 1.00 0.70 C ATOM 343 CG ASN A 24 -1.745 6.114 -4.134 1.00 2.17 C ATOM 344 OD1 ASN A 24 -2.743 5.854 -4.784 1.00 3.42 O ATOM 345 ND2 ASN A 24 -1.010 5.184 -3.547 1.00 2.67 N ATOM 0 H ASN A 24 -0.191 8.303 -1.909 1.00 0.73 H new ATOM 0 HA ASN A 24 -2.602 9.091 -3.297 1.00 0.73 H new ATOM 0 HB2 ASN A 24 -1.421 8.093 -4.870 1.00 0.70 H new ATOM 0 HB3 ASN A 24 -0.228 7.555 -3.704 1.00 0.70 H new ATOM 0 HD21 ASN A 24 -1.271 4.201 -3.628 1.00 2.67 H new ATOM 0 HD22 ASN A 24 -0.183 5.450 -3.013 1.00 2.67 H new ATOM 352 N LEU A 25 -2.670 6.537 -1.207 1.00 0.68 N ATOM 353 CA LEU A 25 -3.564 5.772 -0.352 1.00 0.69 C ATOM 354 C LEU A 25 -4.290 6.711 0.614 1.00 0.69 C ATOM 355 O LEU A 25 -5.494 6.597 0.792 1.00 1.02 O ATOM 356 CB LEU A 25 -2.781 4.649 0.354 1.00 0.77 C ATOM 357 CG LEU A 25 -2.997 3.238 -0.234 1.00 1.30 C ATOM 358 CD1 LEU A 25 -3.306 3.178 -1.735 1.00 1.94 C ATOM 359 CD2 LEU A 25 -1.758 2.384 0.045 1.00 1.73 C ATOM 0 H LEU A 25 -1.682 6.331 -1.062 1.00 0.68 H new ATOM 0 HA LEU A 25 -4.335 5.284 -0.948 1.00 0.69 H new ATOM 0 HB2 LEU A 25 -1.718 4.885 0.312 1.00 0.77 H new ATOM 0 HB3 LEU A 25 -3.063 4.635 1.407 1.00 0.77 H new ATOM 0 HG LEU A 25 -3.891 2.859 0.262 1.00 1.30 H new ATOM 0 HD11 LEU A 25 -3.439 2.139 -2.038 1.00 1.94 H new ATOM 0 HD12 LEU A 25 -4.220 3.736 -1.941 1.00 1.94 H new ATOM 0 HD13 LEU A 25 -2.480 3.616 -2.294 1.00 1.94 H new ATOM 0 HD21 LEU A 25 -1.904 1.386 -0.368 1.00 1.73 H new ATOM 0 HD22 LEU A 25 -0.886 2.845 -0.419 1.00 1.73 H new ATOM 0 HD23 LEU A 25 -1.600 2.312 1.121 1.00 1.73 H new ATOM 371 N ARG A 26 -3.595 7.680 1.209 1.00 0.55 N ATOM 372 CA ARG A 26 -4.117 8.574 2.222 1.00 0.61 C ATOM 373 C ARG A 26 -5.419 9.251 1.761 1.00 1.12 C ATOM 374 O ARG A 26 -6.244 9.623 2.591 1.00 1.64 O ATOM 375 CB ARG A 26 -3.061 9.630 2.600 1.00 0.60 C ATOM 376 CG ARG A 26 -2.933 9.782 4.120 1.00 2.37 C ATOM 377 CD ARG A 26 -3.672 10.991 4.700 1.00 3.08 C ATOM 378 NE ARG A 26 -2.849 12.207 4.586 1.00 3.52 N ATOM 379 CZ ARG A 26 -3.024 13.324 5.311 1.00 4.69 C ATOM 380 NH1 ARG A 26 -4.116 13.460 6.072 1.00 5.57 N ATOM 381 NH2 ARG A 26 -2.104 14.295 5.273 1.00 5.78 N ATOM 0 H ARG A 26 -2.617 7.864 0.985 1.00 0.55 H new ATOM 0 HA ARG A 26 -4.351 7.979 3.105 1.00 0.61 H new ATOM 0 HB2 ARG A 26 -2.096 9.347 2.180 1.00 0.60 H new ATOM 0 HB3 ARG A 26 -3.331 10.590 2.159 1.00 0.60 H new ATOM 0 HG2 ARG A 26 -3.311 8.878 4.596 1.00 2.37 H new ATOM 0 HG3 ARG A 26 -1.877 9.860 4.377 1.00 2.37 H new ATOM 0 HD2 ARG A 26 -4.616 11.134 4.174 1.00 3.08 H new ATOM 0 HD3 ARG A 26 -3.915 10.807 5.746 1.00 3.08 H new ATOM 0 HE ARG A 26 -2.089 12.200 3.906 1.00 3.52 H new ATOM 0 HH11 ARG A 26 -4.813 12.716 6.101 1.00 5.57 H new ATOM 0 HH12 ARG A 26 -4.251 14.307 6.623 1.00 5.57 H new ATOM 0 HH21 ARG A 26 -1.271 14.186 4.694 1.00 5.78 H new ATOM 0 HH22 ARG A 26 -2.235 15.144 5.823 1.00 5.78 H new ATOM 395 N ARG A 27 -5.556 9.472 0.442 1.00 1.33 N ATOM 396 CA ARG A 27 -6.719 10.091 -0.191 1.00 2.03 C ATOM 397 C ARG A 27 -7.689 9.088 -0.833 1.00 1.58 C ATOM 398 O ARG A 27 -8.758 9.508 -1.272 1.00 2.40 O ATOM 399 CB ARG A 27 -6.261 11.135 -1.223 1.00 2.93 C ATOM 400 CG ARG A 27 -5.542 10.519 -2.428 1.00 4.23 C ATOM 401 CD ARG A 27 -4.923 11.567 -3.365 1.00 5.72 C ATOM 402 NE ARG A 27 -5.336 11.361 -4.765 1.00 6.91 N ATOM 403 CZ ARG A 27 -6.450 11.863 -5.328 1.00 7.67 C ATOM 404 NH1 ARG A 27 -7.330 12.529 -4.575 1.00 7.30 N ATOM 405 NH2 ARG A 27 -6.674 11.701 -6.637 1.00 9.15 N ATOM 0 H ARG A 27 -4.833 9.214 -0.229 1.00 1.33 H new ATOM 0 HA ARG A 27 -7.281 10.575 0.608 1.00 2.03 H new ATOM 0 HB2 ARG A 27 -7.128 11.695 -1.573 1.00 2.93 H new ATOM 0 HB3 ARG A 27 -5.596 11.849 -0.737 1.00 2.93 H new ATOM 0 HG2 ARG A 27 -4.758 9.851 -2.072 1.00 4.23 H new ATOM 0 HG3 ARG A 27 -6.248 9.909 -2.992 1.00 4.23 H new ATOM 0 HD2 ARG A 27 -5.220 12.565 -3.041 1.00 5.72 H new ATOM 0 HD3 ARG A 27 -3.836 11.520 -3.296 1.00 5.72 H new ATOM 0 HE ARG A 27 -4.728 10.792 -5.354 1.00 6.91 H new ATOM 0 HH11 ARG A 27 -7.156 12.655 -3.578 1.00 7.30 H new ATOM 0 HH12 ARG A 27 -8.176 12.912 -4.997 1.00 7.30 H new ATOM 0 HH21 ARG A 27 -5.999 11.196 -7.211 1.00 9.15 H new ATOM 0 HH22 ARG A 27 -7.520 12.083 -7.061 1.00 9.15 H new ATOM 419 N GLU A 28 -7.333 7.805 -0.945 1.00 0.73 N ATOM 420 CA GLU A 28 -8.221 6.800 -1.518 1.00 0.79 C ATOM 421 C GLU A 28 -9.444 6.618 -0.617 1.00 1.08 C ATOM 422 O GLU A 28 -9.312 6.247 0.549 1.00 1.94 O ATOM 423 CB GLU A 28 -7.483 5.465 -1.690 1.00 0.84 C ATOM 424 CG GLU A 28 -6.717 5.359 -3.016 1.00 1.12 C ATOM 425 CD GLU A 28 -7.328 4.270 -3.887 1.00 1.63 C ATOM 426 OE1 GLU A 28 -6.945 3.099 -3.677 1.00 2.23 O ATOM 427 OE2 GLU A 28 -8.202 4.628 -4.705 1.00 2.53 O ATOM 0 H GLU A 28 -6.429 7.440 -0.643 1.00 0.73 H new ATOM 0 HA GLU A 28 -8.549 7.138 -2.501 1.00 0.79 H new ATOM 0 HB2 GLU A 28 -6.784 5.336 -0.864 1.00 0.84 H new ATOM 0 HB3 GLU A 28 -8.203 4.649 -1.629 1.00 0.84 H new ATOM 0 HG2 GLU A 28 -6.747 6.314 -3.540 1.00 1.12 H new ATOM 0 HG3 GLU A 28 -5.668 5.135 -2.822 1.00 1.12 H new ATOM 434 N GLU A 29 -10.639 6.854 -1.164 1.00 1.25 N ATOM 435 CA GLU A 29 -11.900 6.630 -0.477 1.00 1.55 C ATOM 436 C GLU A 29 -11.980 5.188 0.022 1.00 1.11 C ATOM 437 O GLU A 29 -12.148 4.260 -0.767 1.00 1.14 O ATOM 438 CB GLU A 29 -13.072 6.949 -1.412 1.00 2.25 C ATOM 439 CG GLU A 29 -13.339 8.458 -1.467 1.00 3.17 C ATOM 440 CD GLU A 29 -14.554 8.773 -2.330 1.00 3.52 C ATOM 441 OE1 GLU A 29 -15.618 8.185 -2.040 1.00 4.39 O ATOM 442 OE2 GLU A 29 -14.395 9.595 -3.256 1.00 3.67 O ATOM 0 H GLU A 29 -10.752 7.212 -2.112 1.00 1.25 H new ATOM 0 HA GLU A 29 -11.958 7.294 0.386 1.00 1.55 H new ATOM 0 HB2 GLU A 29 -12.854 6.578 -2.414 1.00 2.25 H new ATOM 0 HB3 GLU A 29 -13.967 6.430 -1.068 1.00 2.25 H new ATOM 0 HG2 GLU A 29 -13.498 8.838 -0.458 1.00 3.17 H new ATOM 0 HG3 GLU A 29 -12.464 8.970 -1.866 1.00 3.17 H new ATOM 449 N GLY A 30 -11.858 5.013 1.339 1.00 1.29 N ATOM 450 CA GLY A 30 -11.878 3.719 2.000 1.00 0.95 C ATOM 451 C GLY A 30 -10.624 3.519 2.842 1.00 0.85 C ATOM 452 O GLY A 30 -10.664 2.773 3.820 1.00 1.11 O ATOM 0 H GLY A 30 -11.740 5.792 1.987 1.00 1.29 H new ATOM 0 HA2 GLY A 30 -12.762 3.643 2.633 1.00 0.95 H new ATOM 0 HA3 GLY A 30 -11.951 2.927 1.255 1.00 0.95 H new ATOM 456 N ILE A 31 -9.512 4.173 2.486 1.00 0.60 N ATOM 457 CA ILE A 31 -8.317 4.122 3.308 1.00 0.56 C ATOM 458 C ILE A 31 -8.544 4.872 4.616 1.00 0.61 C ATOM 459 O ILE A 31 -9.153 5.939 4.642 1.00 0.78 O ATOM 460 CB ILE A 31 -7.097 4.663 2.547 1.00 0.73 C ATOM 461 CG1 ILE A 31 -6.718 3.722 1.394 1.00 0.82 C ATOM 462 CG2 ILE A 31 -5.884 4.900 3.465 1.00 0.96 C ATOM 463 CD1 ILE A 31 -6.379 2.304 1.851 1.00 1.63 C ATOM 0 H ILE A 31 -9.423 4.736 1.640 1.00 0.60 H new ATOM 0 HA ILE A 31 -8.106 3.080 3.550 1.00 0.56 H new ATOM 0 HB ILE A 31 -7.385 5.632 2.140 1.00 0.73 H new ATOM 0 HG12 ILE A 31 -7.544 3.679 0.684 1.00 0.82 H new ATOM 0 HG13 ILE A 31 -5.862 4.138 0.862 1.00 0.82 H new ATOM 0 HG21 ILE A 31 -5.051 5.282 2.875 1.00 0.96 H new ATOM 0 HG22 ILE A 31 -6.147 5.626 4.235 1.00 0.96 H new ATOM 0 HG23 ILE A 31 -5.595 3.960 3.936 1.00 0.96 H new ATOM 0 HD11 ILE A 31 -6.121 1.695 0.985 1.00 1.63 H new ATOM 0 HD12 ILE A 31 -5.533 2.335 2.538 1.00 1.63 H new ATOM 0 HD13 ILE A 31 -7.241 1.869 2.357 1.00 1.63 H new ATOM 475 N TYR A 32 -8.011 4.301 5.695 1.00 0.53 N ATOM 476 CA TYR A 32 -7.957 4.903 7.013 1.00 0.58 C ATOM 477 C TYR A 32 -6.527 5.276 7.397 1.00 0.52 C ATOM 478 O TYR A 32 -6.330 6.166 8.224 1.00 0.69 O ATOM 479 CB TYR A 32 -8.517 3.917 8.035 1.00 0.64 C ATOM 480 CG TYR A 32 -10.019 3.742 8.002 1.00 0.82 C ATOM 481 CD1 TYR A 32 -10.838 4.791 8.455 1.00 1.78 C ATOM 482 CD2 TYR A 32 -10.596 2.510 7.638 1.00 2.35 C ATOM 483 CE1 TYR A 32 -12.223 4.601 8.579 1.00 1.82 C ATOM 484 CE2 TYR A 32 -11.981 2.316 7.777 1.00 2.68 C ATOM 485 CZ TYR A 32 -12.795 3.364 8.243 1.00 1.60 C ATOM 486 OH TYR A 32 -14.131 3.172 8.429 1.00 2.02 O ATOM 0 H TYR A 32 -7.591 3.372 5.667 1.00 0.53 H new ATOM 0 HA TYR A 32 -8.552 5.816 7.000 1.00 0.58 H new ATOM 0 HB2 TYR A 32 -8.050 2.945 7.873 1.00 0.64 H new ATOM 0 HB3 TYR A 32 -8.227 4.248 9.032 1.00 0.64 H new ATOM 0 HD1 TYR A 32 -10.400 5.745 8.708 1.00 1.78 H new ATOM 0 HD2 TYR A 32 -9.975 1.715 7.252 1.00 2.35 H new ATOM 0 HE1 TYR A 32 -12.849 5.407 8.933 1.00 1.82 H new ATOM 0 HE2 TYR A 32 -12.420 1.362 7.526 1.00 2.68 H new ATOM 0 HH TYR A 32 -14.373 2.265 8.148 1.00 2.02 H new ATOM 496 N SER A 33 -5.517 4.565 6.885 1.00 0.39 N ATOM 497 CA SER A 33 -4.127 4.845 7.218 1.00 0.41 C ATOM 498 C SER A 33 -3.215 4.337 6.107 1.00 0.41 C ATOM 499 O SER A 33 -3.530 3.328 5.482 1.00 0.42 O ATOM 500 CB SER A 33 -3.756 4.176 8.555 1.00 0.44 C ATOM 501 OG SER A 33 -4.776 4.346 9.532 1.00 2.42 O ATOM 0 H SER A 33 -5.643 3.789 6.236 1.00 0.39 H new ATOM 0 HA SER A 33 -3.998 5.923 7.318 1.00 0.41 H new ATOM 0 HB2 SER A 33 -3.582 3.112 8.393 1.00 0.44 H new ATOM 0 HB3 SER A 33 -2.823 4.599 8.927 1.00 0.44 H new ATOM 0 HG SER A 33 -4.507 3.907 10.366 1.00 2.42 H new ATOM 507 N ILE A 34 -2.092 5.024 5.892 1.00 0.53 N ATOM 508 CA ILE A 34 -1.104 4.680 4.881 1.00 0.58 C ATOM 509 C ILE A 34 -0.169 3.558 5.337 1.00 0.47 C ATOM 510 O ILE A 34 -0.173 3.156 6.496 1.00 0.53 O ATOM 511 CB ILE A 34 -0.269 5.922 4.520 1.00 0.80 C ATOM 512 CG1 ILE A 34 0.850 6.294 5.516 1.00 2.00 C ATOM 513 CG2 ILE A 34 -1.157 7.131 4.225 1.00 0.99 C ATOM 514 CD1 ILE A 34 0.424 6.456 6.978 1.00 3.33 C ATOM 0 H ILE A 34 -1.843 5.853 6.431 1.00 0.53 H new ATOM 0 HA ILE A 34 -1.650 4.323 4.008 1.00 0.58 H new ATOM 0 HB ILE A 34 0.257 5.625 3.613 1.00 0.80 H new ATOM 0 HG12 ILE A 34 1.622 5.526 5.467 1.00 2.00 H new ATOM 0 HG13 ILE A 34 1.307 7.227 5.186 1.00 2.00 H new ATOM 0 HG21 ILE A 34 -0.533 7.989 3.974 1.00 0.99 H new ATOM 0 HG22 ILE A 34 -1.815 6.903 3.386 1.00 0.99 H new ATOM 0 HG23 ILE A 34 -1.758 7.364 5.104 1.00 0.99 H new ATOM 0 HD11 ILE A 34 1.292 6.717 7.583 1.00 3.33 H new ATOM 0 HD12 ILE A 34 -0.322 7.247 7.054 1.00 3.33 H new ATOM 0 HD13 ILE A 34 -0.002 5.520 7.339 1.00 3.33 H new ATOM 526 N LEU A 35 0.637 3.072 4.392 1.00 0.52 N ATOM 527 CA LEU A 35 1.645 2.053 4.553 1.00 0.50 C ATOM 528 C LEU A 35 3.023 2.637 4.850 1.00 0.49 C ATOM 529 O LEU A 35 3.476 3.524 4.142 1.00 0.72 O ATOM 530 CB LEU A 35 1.681 1.172 3.295 1.00 0.58 C ATOM 531 CG LEU A 35 1.857 1.807 1.892 1.00 0.79 C ATOM 532 CD1 LEU A 35 3.306 2.178 1.535 1.00 1.30 C ATOM 533 CD2 LEU A 35 1.326 0.845 0.817 1.00 1.81 C ATOM 0 H LEU A 35 0.590 3.412 3.431 1.00 0.52 H new ATOM 0 HA LEU A 35 1.377 1.447 5.418 1.00 0.50 H new ATOM 0 HB2 LEU A 35 2.492 0.456 3.427 1.00 0.58 H new ATOM 0 HB3 LEU A 35 0.752 0.602 3.275 1.00 0.58 H new ATOM 0 HG LEU A 35 1.291 2.738 1.923 1.00 0.79 H new ATOM 0 HD11 LEU A 35 3.334 2.615 0.537 1.00 1.30 H new ATOM 0 HD12 LEU A 35 3.686 2.900 2.258 1.00 1.30 H new ATOM 0 HD13 LEU A 35 3.927 1.282 1.556 1.00 1.30 H new ATOM 0 HD21 LEU A 35 1.451 1.295 -0.168 1.00 1.81 H new ATOM 0 HD22 LEU A 35 1.881 -0.092 0.861 1.00 1.81 H new ATOM 0 HD23 LEU A 35 0.269 0.649 0.994 1.00 1.81 H new ATOM 545 N VAL A 36 3.713 2.138 5.879 1.00 0.37 N ATOM 546 CA VAL A 36 5.009 2.668 6.263 1.00 0.41 C ATOM 547 C VAL A 36 5.810 1.629 7.051 1.00 0.45 C ATOM 548 O VAL A 36 5.887 1.682 8.273 1.00 0.68 O ATOM 549 CB VAL A 36 4.811 4.003 7.005 1.00 0.48 C ATOM 550 CG1 VAL A 36 3.883 3.876 8.225 1.00 0.49 C ATOM 551 CG2 VAL A 36 6.162 4.627 7.372 1.00 0.66 C ATOM 0 H VAL A 36 3.388 1.364 6.459 1.00 0.37 H new ATOM 0 HA VAL A 36 5.610 2.882 5.379 1.00 0.41 H new ATOM 0 HB VAL A 36 4.304 4.680 6.318 1.00 0.48 H new ATOM 0 HG11 VAL A 36 3.781 4.848 8.708 1.00 0.49 H new ATOM 0 HG12 VAL A 36 2.902 3.527 7.901 1.00 0.49 H new ATOM 0 HG13 VAL A 36 4.307 3.163 8.932 1.00 0.49 H new ATOM 0 HG21 VAL A 36 5.998 5.569 7.895 1.00 0.66 H new ATOM 0 HG22 VAL A 36 6.714 3.945 8.018 1.00 0.66 H new ATOM 0 HG23 VAL A 36 6.736 4.812 6.464 1.00 0.66 H new ATOM 561 N ALA A 37 6.462 0.689 6.363 1.00 0.39 N ATOM 562 CA ALA A 37 7.451 -0.157 7.025 1.00 0.44 C ATOM 563 C ALA A 37 8.687 -0.313 6.146 1.00 0.50 C ATOM 564 O ALA A 37 9.241 -1.404 5.991 1.00 0.56 O ATOM 565 CB ALA A 37 6.815 -1.460 7.520 1.00 0.43 C ATOM 0 H ALA A 37 6.326 0.498 5.370 1.00 0.39 H new ATOM 0 HA ALA A 37 7.813 0.323 7.934 1.00 0.44 H new ATOM 0 HB1 ALA A 37 7.573 -2.072 8.009 1.00 0.43 H new ATOM 0 HB2 ALA A 37 6.020 -1.230 8.230 1.00 0.43 H new ATOM 0 HB3 ALA A 37 6.399 -2.006 6.674 1.00 0.43 H new ATOM 571 N LEU A 38 9.165 0.831 5.641 1.00 0.52 N ATOM 572 CA LEU A 38 10.434 0.930 4.933 1.00 0.57 C ATOM 573 C LEU A 38 11.593 0.489 5.825 1.00 0.62 C ATOM 574 O LEU A 38 12.594 -0.014 5.328 1.00 0.71 O ATOM 575 CB LEU A 38 10.659 2.364 4.427 1.00 0.67 C ATOM 576 CG LEU A 38 11.762 2.387 3.354 1.00 0.71 C ATOM 577 CD1 LEU A 38 11.276 3.159 2.136 1.00 1.14 C ATOM 578 CD2 LEU A 38 13.098 2.999 3.790 1.00 1.20 C ATOM 0 H LEU A 38 8.671 1.720 5.717 1.00 0.52 H new ATOM 0 HA LEU A 38 10.395 0.261 4.073 1.00 0.57 H new ATOM 0 HB2 LEU A 38 9.732 2.760 4.013 1.00 0.67 H new ATOM 0 HB3 LEU A 38 10.938 3.010 5.259 1.00 0.67 H new ATOM 0 HG LEU A 38 11.956 1.336 3.140 1.00 0.71 H new ATOM 0 HD11 LEU A 38 12.059 3.174 1.378 1.00 1.14 H new ATOM 0 HD12 LEU A 38 10.387 2.676 1.730 1.00 1.14 H new ATOM 0 HD13 LEU A 38 11.033 4.181 2.426 1.00 1.14 H new ATOM 0 HD21 LEU A 38 13.802 2.965 2.959 1.00 1.20 H new ATOM 0 HD22 LEU A 38 12.943 4.035 4.091 1.00 1.20 H new ATOM 0 HD23 LEU A 38 13.500 2.433 4.630 1.00 1.20 H new ATOM 590 N MET A 39 11.432 0.650 7.145 1.00 0.63 N ATOM 591 CA MET A 39 12.371 0.195 8.162 1.00 0.73 C ATOM 592 C MET A 39 12.890 -1.224 7.903 1.00 0.69 C ATOM 593 O MET A 39 14.021 -1.535 8.267 1.00 0.75 O ATOM 594 CB MET A 39 11.719 0.335 9.548 1.00 0.80 C ATOM 595 CG MET A 39 10.580 -0.667 9.796 1.00 1.87 C ATOM 596 SD MET A 39 9.658 -0.449 11.342 1.00 2.79 S ATOM 597 CE MET A 39 8.667 1.017 10.969 1.00 3.85 C ATOM 0 H MET A 39 10.616 1.117 7.541 1.00 0.63 H new ATOM 0 HA MET A 39 13.257 0.829 8.121 1.00 0.73 H new ATOM 0 HB2 MET A 39 12.482 0.202 10.315 1.00 0.80 H new ATOM 0 HB3 MET A 39 11.331 1.348 9.657 1.00 0.80 H new ATOM 0 HG2 MET A 39 9.878 -0.603 8.965 1.00 1.87 H new ATOM 0 HG3 MET A 39 10.998 -1.674 9.783 1.00 1.87 H new ATOM 0 HE1 MET A 39 8.746 1.728 11.791 1.00 3.85 H new ATOM 0 HE2 MET A 39 9.033 1.480 10.052 1.00 3.85 H new ATOM 0 HE3 MET A 39 7.624 0.728 10.838 1.00 3.85 H new ATOM 607 N ALA A 40 12.058 -2.078 7.295 1.00 0.67 N ATOM 608 CA ALA A 40 12.434 -3.431 6.909 1.00 0.72 C ATOM 609 C ALA A 40 12.174 -3.675 5.420 1.00 0.74 C ATOM 610 O ALA A 40 13.025 -4.221 4.724 1.00 0.95 O ATOM 611 CB ALA A 40 11.664 -4.420 7.785 1.00 0.79 C ATOM 0 H ALA A 40 11.095 -1.840 7.057 1.00 0.67 H new ATOM 0 HA ALA A 40 13.504 -3.572 7.064 1.00 0.72 H new ATOM 0 HB1 ALA A 40 11.935 -5.439 7.508 1.00 0.79 H new ATOM 0 HB2 ALA A 40 11.914 -4.250 8.832 1.00 0.79 H new ATOM 0 HB3 ALA A 40 10.593 -4.277 7.640 1.00 0.79 H new ATOM 617 N GLY A 41 10.987 -3.296 4.939 1.00 0.63 N ATOM 618 CA GLY A 41 10.528 -3.560 3.583 1.00 0.66 C ATOM 619 C GLY A 41 9.122 -4.144 3.617 1.00 0.58 C ATOM 620 O GLY A 41 8.871 -5.224 3.086 1.00 0.69 O ATOM 0 H GLY A 41 10.306 -2.785 5.500 1.00 0.63 H new ATOM 0 HA2 GLY A 41 10.534 -2.638 3.001 1.00 0.66 H new ATOM 0 HA3 GLY A 41 11.208 -4.254 3.088 1.00 0.66 H new ATOM 624 N LYS A 42 8.197 -3.418 4.246 1.00 0.55 N ATOM 625 CA LYS A 42 6.786 -3.752 4.275 1.00 0.53 C ATOM 626 C LYS A 42 5.956 -2.472 4.210 1.00 0.51 C ATOM 627 O LYS A 42 6.491 -1.361 4.204 1.00 0.50 O ATOM 628 CB LYS A 42 6.445 -4.559 5.535 1.00 0.59 C ATOM 629 CG LYS A 42 6.894 -6.022 5.461 1.00 0.64 C ATOM 630 CD LYS A 42 6.047 -6.881 6.413 1.00 1.86 C ATOM 631 CE LYS A 42 6.062 -6.330 7.847 1.00 2.23 C ATOM 632 NZ LYS A 42 5.289 -7.179 8.778 1.00 3.63 N ATOM 0 H LYS A 42 8.420 -2.565 4.758 1.00 0.55 H new ATOM 0 HA LYS A 42 6.550 -4.371 3.410 1.00 0.53 H new ATOM 0 HB2 LYS A 42 6.914 -4.086 6.398 1.00 0.59 H new ATOM 0 HB3 LYS A 42 5.368 -4.525 5.699 1.00 0.59 H new ATOM 0 HG2 LYS A 42 6.794 -6.390 4.440 1.00 0.64 H new ATOM 0 HG3 LYS A 42 7.948 -6.101 5.727 1.00 0.64 H new ATOM 0 HD2 LYS A 42 5.020 -6.921 6.050 1.00 1.86 H new ATOM 0 HD3 LYS A 42 6.425 -7.903 6.413 1.00 1.86 H new ATOM 0 HE2 LYS A 42 7.092 -6.256 8.195 1.00 2.23 H new ATOM 0 HE3 LYS A 42 5.651 -5.321 7.851 1.00 2.23 H new ATOM 0 HZ1 LYS A 42 5.326 -6.770 9.733 1.00 3.63 H new ATOM 0 HZ2 LYS A 42 4.300 -7.230 8.461 1.00 3.63 H new ATOM 0 HZ3 LYS A 42 5.696 -8.136 8.795 1.00 3.63 H new ATOM 646 N ALA A 43 4.639 -2.659 4.167 1.00 0.51 N ATOM 647 CA ALA A 43 3.640 -1.644 3.989 1.00 0.47 C ATOM 648 C ALA A 43 2.408 -2.052 4.808 1.00 0.43 C ATOM 649 O ALA A 43 1.934 -3.183 4.676 1.00 0.48 O ATOM 650 CB ALA A 43 3.336 -1.577 2.489 1.00 0.55 C ATOM 0 H ALA A 43 4.230 -3.588 4.263 1.00 0.51 H new ATOM 0 HA ALA A 43 3.963 -0.660 4.329 1.00 0.47 H new ATOM 0 HB1 ALA A 43 2.578 -0.815 2.305 1.00 0.55 H new ATOM 0 HB2 ALA A 43 4.245 -1.323 1.944 1.00 0.55 H new ATOM 0 HB3 ALA A 43 2.968 -2.545 2.149 1.00 0.55 H new ATOM 656 N GLU A 44 1.921 -1.147 5.667 1.00 0.40 N ATOM 657 CA GLU A 44 0.869 -1.419 6.641 1.00 0.44 C ATOM 658 C GLU A 44 -0.302 -0.445 6.503 1.00 0.41 C ATOM 659 O GLU A 44 -0.620 0.325 7.406 1.00 0.58 O ATOM 660 CB GLU A 44 1.462 -1.448 8.057 1.00 0.57 C ATOM 661 CG GLU A 44 2.313 -0.223 8.420 1.00 2.35 C ATOM 662 CD GLU A 44 2.546 -0.219 9.925 1.00 2.58 C ATOM 663 OE1 GLU A 44 1.594 0.161 10.643 1.00 3.22 O ATOM 664 OE2 GLU A 44 3.642 -0.665 10.325 1.00 2.80 O ATOM 0 H GLU A 44 2.259 -0.185 5.701 1.00 0.40 H new ATOM 0 HA GLU A 44 0.450 -2.405 6.439 1.00 0.44 H new ATOM 0 HB2 GLU A 44 0.647 -1.534 8.776 1.00 0.57 H new ATOM 0 HB3 GLU A 44 2.075 -2.343 8.162 1.00 0.57 H new ATOM 0 HG2 GLU A 44 3.265 -0.254 7.890 1.00 2.35 H new ATOM 0 HG3 GLU A 44 1.807 0.693 8.113 1.00 2.35 H new ATOM 671 N VAL A 45 -0.979 -0.522 5.363 1.00 0.50 N ATOM 672 CA VAL A 45 -2.082 0.364 5.033 1.00 0.48 C ATOM 673 C VAL A 45 -3.346 -0.161 5.728 1.00 0.45 C ATOM 674 O VAL A 45 -3.403 -1.317 6.145 1.00 0.70 O ATOM 675 CB VAL A 45 -2.167 0.519 3.495 1.00 0.59 C ATOM 676 CG1 VAL A 45 -1.810 -0.751 2.710 1.00 1.45 C ATOM 677 CG2 VAL A 45 -3.520 1.026 2.999 1.00 1.61 C ATOM 0 H VAL A 45 -0.773 -1.209 4.637 1.00 0.50 H new ATOM 0 HA VAL A 45 -1.940 1.378 5.406 1.00 0.48 H new ATOM 0 HB VAL A 45 -1.408 1.275 3.295 1.00 0.59 H new ATOM 0 HG11 VAL A 45 -1.896 -0.554 1.641 1.00 1.45 H new ATOM 0 HG12 VAL A 45 -0.788 -1.048 2.944 1.00 1.45 H new ATOM 0 HG13 VAL A 45 -2.493 -1.554 2.987 1.00 1.45 H new ATOM 0 HG21 VAL A 45 -3.502 1.108 1.912 1.00 1.61 H new ATOM 0 HG22 VAL A 45 -4.302 0.327 3.297 1.00 1.61 H new ATOM 0 HG23 VAL A 45 -3.723 2.005 3.434 1.00 1.61 H new ATOM 687 N ARG A 46 -4.355 0.689 5.933 1.00 0.36 N ATOM 688 CA ARG A 46 -5.598 0.296 6.583 1.00 0.31 C ATOM 689 C ARG A 46 -6.775 0.711 5.723 1.00 0.32 C ATOM 690 O ARG A 46 -6.768 1.826 5.206 1.00 0.36 O ATOM 691 CB ARG A 46 -5.671 0.899 7.986 1.00 0.41 C ATOM 692 CG ARG A 46 -6.835 0.276 8.764 1.00 0.57 C ATOM 693 CD ARG A 46 -6.702 0.587 10.258 1.00 1.06 C ATOM 694 NE ARG A 46 -6.885 2.020 10.549 1.00 1.83 N ATOM 695 CZ ARG A 46 -8.012 2.563 11.041 1.00 2.07 C ATOM 696 NH1 ARG A 46 -9.147 1.856 11.062 1.00 2.37 N ATOM 697 NH2 ARG A 46 -7.994 3.819 11.503 1.00 3.65 N ATOM 0 H ARG A 46 -4.329 1.669 5.651 1.00 0.36 H new ATOM 0 HA ARG A 46 -5.631 -0.788 6.694 1.00 0.31 H new ATOM 0 HB2 ARG A 46 -4.734 0.724 8.515 1.00 0.41 H new ATOM 0 HB3 ARG A 46 -5.803 1.979 7.920 1.00 0.41 H new ATOM 0 HG2 ARG A 46 -7.782 0.664 8.388 1.00 0.57 H new ATOM 0 HG3 ARG A 46 -6.848 -0.803 8.610 1.00 0.57 H new ATOM 0 HD2 ARG A 46 -7.439 0.008 10.814 1.00 1.06 H new ATOM 0 HD3 ARG A 46 -5.719 0.270 10.607 1.00 1.06 H new ATOM 0 HE ARG A 46 -6.100 2.645 10.364 1.00 1.83 H new ATOM 0 HH11 ARG A 46 -9.160 0.901 10.704 1.00 2.37 H new ATOM 0 HH12 ARG A 46 -10.000 2.272 11.436 1.00 2.37 H new ATOM 0 HH21 ARG A 46 -7.129 4.358 11.480 1.00 3.65 H new ATOM 0 HH22 ARG A 46 -8.846 4.237 11.878 1.00 3.65 H new ATOM 711 N TYR A 47 -7.758 -0.184 5.561 1.00 0.50 N ATOM 712 CA TYR A 47 -8.770 -0.073 4.524 1.00 0.59 C ATOM 713 C TYR A 47 -10.097 -0.701 4.967 1.00 0.51 C ATOM 714 O TYR A 47 -10.316 -0.928 6.157 1.00 0.55 O ATOM 715 CB TYR A 47 -8.215 -0.688 3.228 1.00 0.66 C ATOM 716 CG TYR A 47 -8.384 -2.189 3.043 1.00 0.60 C ATOM 717 CD1 TYR A 47 -7.950 -3.111 4.017 1.00 1.64 C ATOM 718 CD2 TYR A 47 -8.947 -2.664 1.847 1.00 1.93 C ATOM 719 CE1 TYR A 47 -8.071 -4.497 3.791 1.00 1.59 C ATOM 720 CE2 TYR A 47 -9.040 -4.040 1.612 1.00 2.09 C ATOM 721 CZ TYR A 47 -8.597 -4.961 2.574 1.00 0.93 C ATOM 722 OH TYR A 47 -8.700 -6.286 2.282 1.00 1.28 O ATOM 0 H TYR A 47 -7.867 -1.007 6.153 1.00 0.50 H new ATOM 0 HA TYR A 47 -8.997 0.976 4.335 1.00 0.59 H new ATOM 0 HB2 TYR A 47 -8.692 -0.188 2.385 1.00 0.66 H new ATOM 0 HB3 TYR A 47 -7.151 -0.459 3.174 1.00 0.66 H new ATOM 0 HD1 TYR A 47 -7.522 -2.753 4.942 1.00 1.64 H new ATOM 0 HD2 TYR A 47 -9.309 -1.965 1.107 1.00 1.93 H new ATOM 0 HE1 TYR A 47 -7.761 -5.199 4.550 1.00 1.59 H new ATOM 0 HE2 TYR A 47 -9.457 -4.397 0.682 1.00 2.09 H new ATOM 0 HH TYR A 47 -8.830 -6.794 3.110 1.00 1.28 H new ATOM 732 N ASN A 48 -10.977 -0.994 4.004 1.00 0.53 N ATOM 733 CA ASN A 48 -12.247 -1.669 4.237 1.00 0.67 C ATOM 734 C ASN A 48 -12.653 -2.460 2.987 1.00 0.60 C ATOM 735 O ASN A 48 -13.113 -1.846 2.024 1.00 0.61 O ATOM 736 CB ASN A 48 -13.318 -0.626 4.574 1.00 0.93 C ATOM 737 CG ASN A 48 -14.682 -1.287 4.740 1.00 1.64 C ATOM 738 OD1 ASN A 48 -14.779 -2.394 5.258 1.00 2.29 O ATOM 739 ND2 ASN A 48 -15.746 -0.617 4.311 1.00 2.17 N ATOM 0 H ASN A 48 -10.818 -0.762 3.024 1.00 0.53 H new ATOM 0 HA ASN A 48 -12.145 -2.363 5.071 1.00 0.67 H new ATOM 0 HB2 ASN A 48 -13.048 -0.104 5.492 1.00 0.93 H new ATOM 0 HB3 ASN A 48 -13.365 0.123 3.783 1.00 0.93 H new ATOM 0 HD21 ASN A 48 -16.677 -1.022 4.408 1.00 2.17 H new ATOM 0 HD22 ASN A 48 -15.632 0.302 3.884 1.00 2.17 H new ATOM 746 N PRO A 49 -12.498 -3.794 2.954 1.00 0.63 N ATOM 747 CA PRO A 49 -12.788 -4.582 1.766 1.00 0.73 C ATOM 748 C PRO A 49 -14.298 -4.712 1.557 1.00 0.87 C ATOM 749 O PRO A 49 -14.898 -5.747 1.831 1.00 1.09 O ATOM 750 CB PRO A 49 -12.099 -5.922 2.000 1.00 0.89 C ATOM 751 CG PRO A 49 -12.129 -6.084 3.519 1.00 0.90 C ATOM 752 CD PRO A 49 -12.008 -4.646 4.028 1.00 0.72 C ATOM 0 HA PRO A 49 -12.419 -4.119 0.851 1.00 0.73 H new ATOM 0 HB2 PRO A 49 -12.625 -6.735 1.500 1.00 0.89 H new ATOM 0 HB3 PRO A 49 -11.078 -5.920 1.618 1.00 0.89 H new ATOM 0 HG2 PRO A 49 -13.053 -6.553 3.855 1.00 0.90 H new ATOM 0 HG3 PRO A 49 -11.308 -6.707 3.874 1.00 0.90 H new ATOM 0 HD2 PRO A 49 -12.594 -4.504 4.936 1.00 0.72 H new ATOM 0 HD3 PRO A 49 -10.974 -4.406 4.275 1.00 0.72 H new ATOM 760 N ALA A 50 -14.903 -3.634 1.062 1.00 0.78 N ATOM 761 CA ALA A 50 -16.318 -3.558 0.742 1.00 0.99 C ATOM 762 C ALA A 50 -16.510 -2.646 -0.470 1.00 0.91 C ATOM 763 O ALA A 50 -17.159 -3.032 -1.438 1.00 1.11 O ATOM 764 CB ALA A 50 -17.089 -3.073 1.975 1.00 1.20 C ATOM 0 H ALA A 50 -14.403 -2.766 0.869 1.00 0.78 H new ATOM 0 HA ALA A 50 -16.712 -4.539 0.478 1.00 0.99 H new ATOM 0 HB1 ALA A 50 -18.152 -3.014 1.740 1.00 1.20 H new ATOM 0 HB2 ALA A 50 -16.937 -3.772 2.797 1.00 1.20 H new ATOM 0 HB3 ALA A 50 -16.727 -2.087 2.266 1.00 1.20 H new ATOM 770 N VAL A 51 -15.928 -1.442 -0.420 1.00 0.76 N ATOM 771 CA VAL A 51 -15.978 -0.464 -1.498 1.00 0.82 C ATOM 772 C VAL A 51 -14.627 -0.441 -2.220 1.00 0.69 C ATOM 773 O VAL A 51 -14.548 -0.716 -3.413 1.00 1.01 O ATOM 774 CB VAL A 51 -16.348 0.906 -0.902 1.00 0.98 C ATOM 775 CG1 VAL A 51 -16.393 1.989 -1.983 1.00 1.15 C ATOM 776 CG2 VAL A 51 -17.718 0.848 -0.212 1.00 1.35 C ATOM 0 H VAL A 51 -15.400 -1.120 0.391 1.00 0.76 H new ATOM 0 HA VAL A 51 -16.737 -0.726 -2.235 1.00 0.82 H new ATOM 0 HB VAL A 51 -15.577 1.155 -0.173 1.00 0.98 H new ATOM 0 HG11 VAL A 51 -16.657 2.945 -1.530 1.00 1.15 H new ATOM 0 HG12 VAL A 51 -15.415 2.070 -2.458 1.00 1.15 H new ATOM 0 HG13 VAL A 51 -17.139 1.724 -2.732 1.00 1.15 H new ATOM 0 HG21 VAL A 51 -17.959 1.827 0.202 1.00 1.35 H new ATOM 0 HG22 VAL A 51 -18.479 0.564 -0.938 1.00 1.35 H new ATOM 0 HG23 VAL A 51 -17.690 0.112 0.591 1.00 1.35 H new ATOM 786 N ILE A 52 -13.565 -0.096 -1.485 1.00 0.46 N ATOM 787 CA ILE A 52 -12.246 0.187 -2.044 1.00 0.62 C ATOM 788 C ILE A 52 -11.658 -1.021 -2.777 1.00 0.80 C ATOM 789 O ILE A 52 -11.041 -0.849 -3.819 1.00 1.30 O ATOM 790 CB ILE A 52 -11.309 0.749 -0.957 1.00 0.70 C ATOM 791 CG1 ILE A 52 -9.878 0.943 -1.479 1.00 1.00 C ATOM 792 CG2 ILE A 52 -11.356 -0.056 0.349 1.00 0.71 C ATOM 793 CD1 ILE A 52 -8.989 1.576 -0.409 1.00 1.53 C ATOM 0 H ILE A 52 -13.602 -0.005 -0.470 1.00 0.46 H new ATOM 0 HA ILE A 52 -12.357 0.960 -2.805 1.00 0.62 H new ATOM 0 HB ILE A 52 -11.690 1.739 -0.705 1.00 0.70 H new ATOM 0 HG12 ILE A 52 -9.463 -0.019 -1.780 1.00 1.00 H new ATOM 0 HG13 ILE A 52 -9.893 1.576 -2.366 1.00 1.00 H new ATOM 0 HG21 ILE A 52 -10.675 0.388 1.075 1.00 0.71 H new ATOM 0 HG22 ILE A 52 -12.370 -0.044 0.748 1.00 0.71 H new ATOM 0 HG23 ILE A 52 -11.056 -1.085 0.153 1.00 0.71 H new ATOM 0 HD11 ILE A 52 -7.981 1.703 -0.802 1.00 1.53 H new ATOM 0 HD12 ILE A 52 -9.394 2.548 -0.128 1.00 1.53 H new ATOM 0 HD13 ILE A 52 -8.957 0.929 0.467 1.00 1.53 H new ATOM 805 N GLN A 53 -11.865 -2.223 -2.231 1.00 0.54 N ATOM 806 CA GLN A 53 -11.476 -3.517 -2.772 1.00 0.67 C ATOM 807 C GLN A 53 -9.967 -3.821 -2.639 1.00 0.67 C ATOM 808 O GLN A 53 -9.129 -3.063 -3.126 1.00 0.69 O ATOM 809 CB GLN A 53 -12.013 -3.729 -4.203 1.00 0.74 C ATOM 810 CG GLN A 53 -13.481 -4.169 -4.209 1.00 1.03 C ATOM 811 CD GLN A 53 -13.639 -5.578 -3.649 1.00 1.33 C ATOM 812 OE1 GLN A 53 -14.204 -5.772 -2.580 1.00 2.89 O ATOM 813 NE2 GLN A 53 -13.092 -6.572 -4.343 1.00 1.94 N ATOM 0 H GLN A 53 -12.344 -2.318 -1.335 1.00 0.54 H new ATOM 0 HA GLN A 53 -11.961 -4.262 -2.141 1.00 0.67 H new ATOM 0 HB2 GLN A 53 -11.910 -2.803 -4.769 1.00 0.74 H new ATOM 0 HB3 GLN A 53 -11.408 -4.481 -4.709 1.00 0.74 H new ATOM 0 HG2 GLN A 53 -14.074 -3.472 -3.618 1.00 1.03 H new ATOM 0 HG3 GLN A 53 -13.869 -4.134 -5.227 1.00 1.03 H new ATOM 0 HE21 GLN A 53 -12.628 -6.379 -5.231 1.00 1.94 H new ATOM 0 HE22 GLN A 53 -13.137 -7.527 -3.988 1.00 1.94 H new ATOM 822 N PRO A 54 -9.597 -4.958 -2.013 1.00 0.73 N ATOM 823 CA PRO A 54 -8.207 -5.359 -1.829 1.00 0.80 C ATOM 824 C PRO A 54 -7.378 -5.438 -3.117 1.00 0.86 C ATOM 825 O PRO A 54 -6.250 -4.943 -3.122 1.00 0.92 O ATOM 826 CB PRO A 54 -8.204 -6.683 -1.063 1.00 0.94 C ATOM 827 CG PRO A 54 -9.657 -7.151 -1.038 1.00 0.94 C ATOM 828 CD PRO A 54 -10.501 -5.940 -1.430 1.00 0.82 C ATOM 0 HA PRO A 54 -7.706 -4.575 -1.261 1.00 0.80 H new ATOM 0 HB2 PRO A 54 -7.565 -7.417 -1.553 1.00 0.94 H new ATOM 0 HB3 PRO A 54 -7.819 -6.549 -0.052 1.00 0.94 H new ATOM 0 HG2 PRO A 54 -9.812 -7.976 -1.734 1.00 0.94 H new ATOM 0 HG3 PRO A 54 -9.932 -7.513 -0.048 1.00 0.94 H new ATOM 0 HD2 PRO A 54 -11.274 -6.224 -2.144 1.00 0.82 H new ATOM 0 HD3 PRO A 54 -11.009 -5.526 -0.559 1.00 0.82 H new ATOM 836 N PRO A 55 -7.861 -6.043 -4.219 1.00 0.90 N ATOM 837 CA PRO A 55 -7.100 -6.002 -5.453 1.00 0.99 C ATOM 838 C PRO A 55 -6.903 -4.557 -5.907 1.00 0.96 C ATOM 839 O PRO A 55 -5.845 -4.228 -6.423 1.00 1.22 O ATOM 840 CB PRO A 55 -7.865 -6.862 -6.463 1.00 1.09 C ATOM 841 CG PRO A 55 -9.298 -6.848 -5.939 1.00 1.02 C ATOM 842 CD PRO A 55 -9.107 -6.772 -4.423 1.00 0.93 C ATOM 0 HA PRO A 55 -6.093 -6.403 -5.334 1.00 0.99 H new ATOM 0 HB2 PRO A 55 -7.803 -6.448 -7.469 1.00 1.09 H new ATOM 0 HB3 PRO A 55 -7.466 -7.875 -6.510 1.00 1.09 H new ATOM 0 HG2 PRO A 55 -9.859 -5.994 -6.319 1.00 1.02 H new ATOM 0 HG3 PRO A 55 -9.844 -7.744 -6.233 1.00 1.02 H new ATOM 0 HD2 PRO A 55 -9.943 -6.259 -3.948 1.00 0.93 H new ATOM 0 HD3 PRO A 55 -9.054 -7.768 -3.984 1.00 0.93 H new ATOM 850 N MET A 56 -7.884 -3.678 -5.692 1.00 0.74 N ATOM 851 CA MET A 56 -7.819 -2.320 -6.204 1.00 0.72 C ATOM 852 C MET A 56 -6.654 -1.559 -5.563 1.00 0.71 C ATOM 853 O MET A 56 -5.807 -1.023 -6.282 1.00 0.69 O ATOM 854 CB MET A 56 -9.170 -1.629 -5.975 1.00 0.76 C ATOM 855 CG MET A 56 -9.851 -1.080 -7.234 1.00 1.45 C ATOM 856 SD MET A 56 -9.724 0.711 -7.455 1.00 2.62 S ATOM 857 CE MET A 56 -10.778 0.903 -8.909 1.00 3.07 C ATOM 0 H MET A 56 -8.732 -3.889 -5.165 1.00 0.74 H new ATOM 0 HA MET A 56 -7.627 -2.334 -7.277 1.00 0.72 H new ATOM 0 HB2 MET A 56 -9.845 -2.339 -5.498 1.00 0.76 H new ATOM 0 HB3 MET A 56 -9.024 -0.807 -5.274 1.00 0.76 H new ATOM 0 HG2 MET A 56 -9.417 -1.570 -8.106 1.00 1.45 H new ATOM 0 HG3 MET A 56 -10.906 -1.353 -7.206 1.00 1.45 H new ATOM 0 HE1 MET A 56 -10.818 1.955 -9.193 1.00 3.07 H new ATOM 0 HE2 MET A 56 -10.369 0.320 -9.734 1.00 3.07 H new ATOM 0 HE3 MET A 56 -11.783 0.551 -8.679 1.00 3.07 H new ATOM 867 N ILE A 57 -6.587 -1.535 -4.223 1.00 0.76 N ATOM 868 CA ILE A 57 -5.464 -0.871 -3.558 1.00 0.86 C ATOM 869 C ILE A 57 -4.124 -1.413 -4.050 1.00 0.75 C ATOM 870 O ILE A 57 -3.236 -0.638 -4.406 1.00 0.76 O ATOM 871 CB ILE A 57 -5.544 -0.892 -2.016 1.00 1.16 C ATOM 872 CG1 ILE A 57 -6.398 -2.005 -1.390 1.00 0.84 C ATOM 873 CG2 ILE A 57 -6.050 0.472 -1.576 1.00 2.38 C ATOM 874 CD1 ILE A 57 -6.136 -2.171 0.114 1.00 1.10 C ATOM 0 H ILE A 57 -7.275 -1.954 -3.598 1.00 0.76 H new ATOM 0 HA ILE A 57 -5.539 0.179 -3.842 1.00 0.86 H new ATOM 0 HB ILE A 57 -4.540 -1.116 -1.654 1.00 1.16 H new ATOM 0 HG12 ILE A 57 -7.453 -1.782 -1.549 1.00 0.84 H new ATOM 0 HG13 ILE A 57 -6.191 -2.947 -1.898 1.00 0.84 H new ATOM 0 HG21 ILE A 57 -6.122 0.500 -0.489 1.00 2.38 H new ATOM 0 HG22 ILE A 57 -5.358 1.243 -1.914 1.00 2.38 H new ATOM 0 HG23 ILE A 57 -7.034 0.652 -2.009 1.00 2.38 H new ATOM 0 HD11 ILE A 57 -6.765 -2.970 0.507 1.00 1.10 H new ATOM 0 HD12 ILE A 57 -5.088 -2.422 0.275 1.00 1.10 H new ATOM 0 HD13 ILE A 57 -6.369 -1.239 0.629 1.00 1.10 H new ATOM 886 N ALA A 58 -3.974 -2.740 -4.079 1.00 0.71 N ATOM 887 CA ALA A 58 -2.782 -3.361 -4.618 1.00 0.69 C ATOM 888 C ALA A 58 -2.456 -2.830 -6.017 1.00 0.62 C ATOM 889 O ALA A 58 -1.378 -2.280 -6.233 1.00 0.63 O ATOM 890 CB ALA A 58 -2.961 -4.878 -4.622 1.00 0.79 C ATOM 0 H ALA A 58 -4.671 -3.399 -3.732 1.00 0.71 H new ATOM 0 HA ALA A 58 -1.933 -3.107 -3.983 1.00 0.69 H new ATOM 0 HB1 ALA A 58 -2.065 -5.349 -5.027 1.00 0.79 H new ATOM 0 HB2 ALA A 58 -3.125 -5.228 -3.603 1.00 0.79 H new ATOM 0 HB3 ALA A 58 -3.820 -5.141 -5.239 1.00 0.79 H new ATOM 896 N GLU A 59 -3.381 -2.978 -6.970 1.00 0.60 N ATOM 897 CA GLU A 59 -3.195 -2.538 -8.341 1.00 0.58 C ATOM 898 C GLU A 59 -2.712 -1.086 -8.397 1.00 0.61 C ATOM 899 O GLU A 59 -1.692 -0.819 -9.029 1.00 0.66 O ATOM 900 CB GLU A 59 -4.493 -2.724 -9.120 1.00 0.61 C ATOM 901 CG GLU A 59 -4.841 -4.199 -9.381 1.00 0.74 C ATOM 902 CD GLU A 59 -3.915 -4.875 -10.377 1.00 1.33 C ATOM 903 OE1 GLU A 59 -3.956 -4.494 -11.562 1.00 2.29 O ATOM 904 OE2 GLU A 59 -3.180 -5.786 -9.935 1.00 2.18 O ATOM 0 H GLU A 59 -4.288 -3.413 -6.801 1.00 0.60 H new ATOM 0 HA GLU A 59 -2.420 -3.149 -8.804 1.00 0.58 H new ATOM 0 HB2 GLU A 59 -5.309 -2.258 -8.569 1.00 0.61 H new ATOM 0 HB3 GLU A 59 -4.414 -2.202 -10.074 1.00 0.61 H new ATOM 0 HG2 GLU A 59 -4.807 -4.744 -8.438 1.00 0.74 H new ATOM 0 HG3 GLU A 59 -5.865 -4.262 -9.749 1.00 0.74 H new ATOM 911 N PHE A 60 -3.387 -0.168 -7.694 1.00 0.66 N ATOM 912 CA PHE A 60 -2.941 1.212 -7.548 1.00 0.76 C ATOM 913 C PHE A 60 -1.439 1.322 -7.280 1.00 0.77 C ATOM 914 O PHE A 60 -0.760 2.192 -7.817 1.00 0.89 O ATOM 915 CB PHE A 60 -3.715 1.870 -6.396 1.00 0.86 C ATOM 916 CG PHE A 60 -4.181 3.269 -6.715 1.00 0.98 C ATOM 917 CD1 PHE A 60 -3.283 4.226 -7.219 1.00 2.35 C ATOM 918 CD2 PHE A 60 -5.547 3.576 -6.624 1.00 1.59 C ATOM 919 CE1 PHE A 60 -3.753 5.476 -7.651 1.00 2.43 C ATOM 920 CE2 PHE A 60 -6.015 4.826 -7.045 1.00 1.66 C ATOM 921 CZ PHE A 60 -5.119 5.786 -7.548 1.00 1.24 C ATOM 0 H PHE A 60 -4.262 -0.369 -7.210 1.00 0.66 H new ATOM 0 HA PHE A 60 -3.138 1.722 -8.491 1.00 0.76 H new ATOM 0 HB2 PHE A 60 -4.579 1.254 -6.149 1.00 0.86 H new ATOM 0 HB3 PHE A 60 -3.080 1.899 -5.510 1.00 0.86 H new ATOM 0 HD1 PHE A 60 -2.229 3.999 -7.274 1.00 2.35 H new ATOM 0 HD2 PHE A 60 -6.238 2.847 -6.228 1.00 1.59 H new ATOM 0 HE1 PHE A 60 -3.064 6.199 -8.062 1.00 2.43 H new ATOM 0 HE2 PHE A 60 -7.069 5.054 -6.983 1.00 1.66 H new ATOM 0 HZ PHE A 60 -5.480 6.757 -7.854 1.00 1.24 H new ATOM 931 N ILE A 61 -0.910 0.467 -6.410 1.00 0.69 N ATOM 932 CA ILE A 61 0.513 0.484 -6.104 1.00 0.68 C ATOM 933 C ILE A 61 1.286 -0.070 -7.303 1.00 0.62 C ATOM 934 O ILE A 61 2.306 0.482 -7.723 1.00 0.67 O ATOM 935 CB ILE A 61 0.771 -0.271 -4.790 1.00 0.68 C ATOM 936 CG1 ILE A 61 0.093 0.477 -3.628 1.00 0.79 C ATOM 937 CG2 ILE A 61 2.276 -0.390 -4.526 1.00 0.69 C ATOM 938 CD1 ILE A 61 -0.191 -0.455 -2.451 1.00 0.82 C ATOM 0 H ILE A 61 -1.444 -0.242 -5.908 1.00 0.69 H new ATOM 0 HA ILE A 61 0.871 1.500 -5.941 1.00 0.68 H new ATOM 0 HB ILE A 61 0.354 -1.275 -4.871 1.00 0.68 H new ATOM 0 HG12 ILE A 61 0.733 1.296 -3.299 1.00 0.79 H new ATOM 0 HG13 ILE A 61 -0.840 0.921 -3.975 1.00 0.79 H new ATOM 0 HG21 ILE A 61 2.440 -0.927 -3.592 1.00 0.69 H new ATOM 0 HG22 ILE A 61 2.747 -0.934 -5.345 1.00 0.69 H new ATOM 0 HG23 ILE A 61 2.713 0.606 -4.453 1.00 0.69 H new ATOM 0 HD11 ILE A 61 -0.670 0.107 -1.649 1.00 0.82 H new ATOM 0 HD12 ILE A 61 -0.852 -1.259 -2.775 1.00 0.82 H new ATOM 0 HD13 ILE A 61 0.745 -0.879 -2.088 1.00 0.82 H new ATOM 950 N ARG A 62 0.791 -1.172 -7.870 1.00 0.58 N ATOM 951 CA ARG A 62 1.420 -1.820 -9.010 1.00 0.61 C ATOM 952 C ARG A 62 1.485 -0.919 -10.246 1.00 0.71 C ATOM 953 O ARG A 62 2.305 -1.191 -11.118 1.00 0.83 O ATOM 954 CB ARG A 62 0.706 -3.122 -9.385 1.00 0.60 C ATOM 955 CG ARG A 62 0.619 -4.125 -8.229 1.00 0.61 C ATOM 956 CD ARG A 62 -0.327 -5.272 -8.605 1.00 0.98 C ATOM 957 NE ARG A 62 0.403 -6.459 -9.066 1.00 1.20 N ATOM 958 CZ ARG A 62 -0.177 -7.645 -9.309 1.00 1.89 C ATOM 959 NH1 ARG A 62 -1.502 -7.744 -9.420 1.00 2.52 N ATOM 960 NH2 ARG A 62 0.584 -8.739 -9.422 1.00 2.41 N ATOM 0 H ARG A 62 -0.058 -1.636 -7.547 1.00 0.58 H new ATOM 0 HA ARG A 62 2.439 -2.039 -8.691 1.00 0.61 H new ATOM 0 HB2 ARG A 62 -0.301 -2.889 -9.730 1.00 0.60 H new ATOM 0 HB3 ARG A 62 1.229 -3.587 -10.221 1.00 0.60 H new ATOM 0 HG2 ARG A 62 1.610 -4.518 -8.002 1.00 0.61 H new ATOM 0 HG3 ARG A 62 0.260 -3.626 -7.329 1.00 0.61 H new ATOM 0 HD2 ARG A 62 -0.938 -5.535 -7.742 1.00 0.98 H new ATOM 0 HD3 ARG A 62 -1.008 -4.938 -9.388 1.00 0.98 H new ATOM 0 HE ARG A 62 1.410 -6.378 -9.210 1.00 1.20 H new ATOM 0 HH11 ARG A 62 -2.086 -6.913 -9.320 1.00 2.52 H new ATOM 0 HH12 ARG A 62 -1.932 -8.650 -9.605 1.00 2.52 H new ATOM 0 HH21 ARG A 62 1.597 -8.668 -9.324 1.00 2.41 H new ATOM 0 HH22 ARG A 62 0.152 -9.644 -9.607 1.00 2.41 H new ATOM 974 N GLU A 63 0.690 0.155 -10.318 1.00 0.71 N ATOM 975 CA GLU A 63 0.846 1.212 -11.321 1.00 0.83 C ATOM 976 C GLU A 63 2.316 1.645 -11.483 1.00 0.82 C ATOM 977 O GLU A 63 2.725 2.066 -12.562 1.00 0.87 O ATOM 978 CB GLU A 63 -0.023 2.424 -10.949 1.00 0.88 C ATOM 979 CG GLU A 63 -1.532 2.133 -10.974 1.00 2.06 C ATOM 980 CD GLU A 63 -2.062 1.896 -12.383 1.00 3.56 C ATOM 981 OE1 GLU A 63 -1.782 2.757 -13.245 1.00 3.64 O ATOM 982 OE2 GLU A 63 -2.743 0.866 -12.571 1.00 5.15 O ATOM 0 H GLU A 63 -0.086 0.315 -9.676 1.00 0.71 H new ATOM 0 HA GLU A 63 0.517 0.806 -12.278 1.00 0.83 H new ATOM 0 HB2 GLU A 63 0.255 2.767 -9.953 1.00 0.88 H new ATOM 0 HB3 GLU A 63 0.192 3.240 -11.639 1.00 0.88 H new ATOM 0 HG2 GLU A 63 -1.739 1.256 -10.360 1.00 2.06 H new ATOM 0 HG3 GLU A 63 -2.067 2.970 -10.525 1.00 2.06 H new ATOM 989 N LEU A 64 3.126 1.528 -10.423 1.00 0.80 N ATOM 990 CA LEU A 64 4.534 1.917 -10.447 1.00 0.84 C ATOM 991 C LEU A 64 5.431 0.838 -11.064 1.00 0.84 C ATOM 992 O LEU A 64 6.572 1.119 -11.424 1.00 0.91 O ATOM 993 CB LEU A 64 5.002 2.138 -9.009 1.00 0.97 C ATOM 994 CG LEU A 64 4.191 3.202 -8.263 1.00 0.83 C ATOM 995 CD1 LEU A 64 4.497 3.056 -6.779 1.00 1.00 C ATOM 996 CD2 LEU A 64 4.551 4.623 -8.711 1.00 1.20 C ATOM 0 H LEU A 64 2.818 1.159 -9.523 1.00 0.80 H new ATOM 0 HA LEU A 64 4.613 2.819 -11.053 1.00 0.84 H new ATOM 0 HB2 LEU A 64 4.939 1.196 -8.465 1.00 0.97 H new ATOM 0 HB3 LEU A 64 6.052 2.431 -9.017 1.00 0.97 H new ATOM 0 HG LEU A 64 3.133 3.052 -8.477 1.00 0.83 H new ATOM 0 HD11 LEU A 64 3.934 3.801 -6.216 1.00 1.00 H new ATOM 0 HD12 LEU A 64 4.213 2.058 -6.445 1.00 1.00 H new ATOM 0 HD13 LEU A 64 5.564 3.204 -6.611 1.00 1.00 H new ATOM 0 HD21 LEU A 64 3.951 5.343 -8.155 1.00 1.20 H new ATOM 0 HD22 LEU A 64 5.608 4.808 -8.520 1.00 1.20 H new ATOM 0 HD23 LEU A 64 4.350 4.730 -9.777 1.00 1.20 H new ATOM 1008 N GLY A 65 4.953 -0.406 -11.133 1.00 0.85 N ATOM 1009 CA GLY A 65 5.702 -1.545 -11.639 1.00 0.89 C ATOM 1010 C GLY A 65 6.539 -2.239 -10.560 1.00 0.84 C ATOM 1011 O GLY A 65 7.402 -3.049 -10.889 1.00 0.96 O ATOM 0 H GLY A 65 4.010 -0.649 -10.830 1.00 0.85 H new ATOM 0 HA2 GLY A 65 5.008 -2.266 -12.072 1.00 0.89 H new ATOM 0 HA3 GLY A 65 6.359 -1.213 -12.443 1.00 0.89 H new ATOM 1015 N PHE A 66 6.277 -1.970 -9.275 1.00 0.85 N ATOM 1016 CA PHE A 66 6.986 -2.636 -8.186 1.00 0.86 C ATOM 1017 C PHE A 66 6.375 -4.007 -7.898 1.00 0.75 C ATOM 1018 O PHE A 66 5.175 -4.225 -8.074 1.00 0.72 O ATOM 1019 CB PHE A 66 6.958 -1.785 -6.906 1.00 0.91 C ATOM 1020 CG PHE A 66 8.032 -0.718 -6.831 1.00 1.03 C ATOM 1021 CD1 PHE A 66 9.382 -1.098 -6.700 1.00 2.41 C ATOM 1022 CD2 PHE A 66 7.687 0.645 -6.791 1.00 1.59 C ATOM 1023 CE1 PHE A 66 10.382 -0.121 -6.559 1.00 2.73 C ATOM 1024 CE2 PHE A 66 8.687 1.622 -6.649 1.00 1.93 C ATOM 1025 CZ PHE A 66 10.035 1.241 -6.531 1.00 1.96 C ATOM 0 H PHE A 66 5.577 -1.294 -8.968 1.00 0.85 H new ATOM 0 HA PHE A 66 8.021 -2.765 -8.501 1.00 0.86 H new ATOM 0 HB2 PHE A 66 5.982 -1.305 -6.826 1.00 0.91 H new ATOM 0 HB3 PHE A 66 7.060 -2.445 -6.045 1.00 0.91 H new ATOM 0 HD1 PHE A 66 9.650 -2.144 -6.708 1.00 2.41 H new ATOM 0 HD2 PHE A 66 6.651 0.941 -6.870 1.00 1.59 H new ATOM 0 HE1 PHE A 66 11.417 -0.416 -6.472 1.00 2.73 H new ATOM 0 HE2 PHE A 66 8.419 2.668 -6.630 1.00 1.93 H new ATOM 0 HZ PHE A 66 10.802 1.993 -6.419 1.00 1.96 H new ATOM 1035 N GLY A 67 7.201 -4.914 -7.370 1.00 0.75 N ATOM 1036 CA GLY A 67 6.786 -6.260 -7.014 1.00 0.71 C ATOM 1037 C GLY A 67 6.090 -6.219 -5.658 1.00 0.66 C ATOM 1038 O GLY A 67 6.628 -6.685 -4.656 1.00 0.70 O ATOM 0 H GLY A 67 8.185 -4.726 -7.178 1.00 0.75 H new ATOM 0 HA2 GLY A 67 6.112 -6.660 -7.772 1.00 0.71 H new ATOM 0 HA3 GLY A 67 7.650 -6.923 -6.974 1.00 0.71 H new ATOM 1042 N ALA A 68 4.888 -5.641 -5.645 1.00 0.61 N ATOM 1043 CA ALA A 68 4.046 -5.575 -4.463 1.00 0.54 C ATOM 1044 C ALA A 68 3.301 -6.901 -4.302 1.00 0.45 C ATOM 1045 O ALA A 68 3.150 -7.659 -5.260 1.00 0.57 O ATOM 1046 CB ALA A 68 3.064 -4.408 -4.599 1.00 0.61 C ATOM 0 H ALA A 68 4.473 -5.202 -6.467 1.00 0.61 H new ATOM 0 HA ALA A 68 4.657 -5.408 -3.576 1.00 0.54 H new ATOM 0 HB1 ALA A 68 2.432 -4.359 -3.712 1.00 0.61 H new ATOM 0 HB2 ALA A 68 3.619 -3.476 -4.701 1.00 0.61 H new ATOM 0 HB3 ALA A 68 2.441 -4.558 -5.480 1.00 0.61 H new ATOM 1052 N THR A 69 2.834 -7.187 -3.088 1.00 0.35 N ATOM 1053 CA THR A 69 2.177 -8.435 -2.746 1.00 0.38 C ATOM 1054 C THR A 69 1.260 -8.134 -1.568 1.00 0.37 C ATOM 1055 O THR A 69 1.687 -8.150 -0.412 1.00 0.59 O ATOM 1056 CB THR A 69 3.174 -9.581 -2.506 1.00 0.47 C ATOM 1057 OG1 THR A 69 2.592 -10.603 -1.722 1.00 1.24 O ATOM 1058 CG2 THR A 69 4.443 -9.100 -1.822 1.00 1.08 C ATOM 0 H THR A 69 2.906 -6.540 -2.302 1.00 0.35 H new ATOM 0 HA THR A 69 1.579 -8.809 -3.577 1.00 0.38 H new ATOM 0 HB THR A 69 3.435 -9.973 -3.489 1.00 0.47 H new ATOM 0 HG1 THR A 69 3.244 -11.321 -1.584 1.00 1.24 H new ATOM 0 HG21 THR A 69 5.118 -9.943 -1.673 1.00 1.08 H new ATOM 0 HG22 THR A 69 4.931 -8.351 -2.445 1.00 1.08 H new ATOM 0 HG23 THR A 69 4.192 -8.661 -0.857 1.00 1.08 H new ATOM 1066 N VAL A 70 0.011 -7.810 -1.896 1.00 0.66 N ATOM 1067 CA VAL A 70 -1.050 -7.559 -0.944 1.00 0.59 C ATOM 1068 C VAL A 70 -1.447 -8.886 -0.300 1.00 0.61 C ATOM 1069 O VAL A 70 -1.570 -9.894 -0.994 1.00 0.72 O ATOM 1070 CB VAL A 70 -2.200 -6.868 -1.691 1.00 0.59 C ATOM 1071 CG1 VAL A 70 -3.033 -7.836 -2.548 1.00 0.54 C ATOM 1072 CG2 VAL A 70 -3.134 -6.116 -0.736 1.00 0.74 C ATOM 0 H VAL A 70 -0.292 -7.714 -2.865 1.00 0.66 H new ATOM 0 HA VAL A 70 -0.741 -6.896 -0.135 1.00 0.59 H new ATOM 0 HB VAL A 70 -1.714 -6.156 -2.358 1.00 0.59 H new ATOM 0 HG11 VAL A 70 -3.829 -7.285 -3.049 1.00 0.54 H new ATOM 0 HG12 VAL A 70 -2.392 -8.306 -3.294 1.00 0.54 H new ATOM 0 HG13 VAL A 70 -3.470 -8.604 -1.909 1.00 0.54 H new ATOM 0 HG21 VAL A 70 -3.933 -5.642 -1.306 1.00 0.74 H new ATOM 0 HG22 VAL A 70 -3.565 -6.817 -0.021 1.00 0.74 H new ATOM 0 HG23 VAL A 70 -2.569 -5.353 -0.200 1.00 0.74 H new ATOM 1082 N ILE A 71 -1.629 -8.893 1.019 1.00 0.63 N ATOM 1083 CA ILE A 71 -2.116 -10.030 1.775 1.00 0.76 C ATOM 1084 C ILE A 71 -2.978 -9.499 2.924 1.00 0.80 C ATOM 1085 O ILE A 71 -3.032 -8.291 3.174 1.00 0.84 O ATOM 1086 CB ILE A 71 -0.959 -10.920 2.262 1.00 0.85 C ATOM 1087 CG1 ILE A 71 -0.031 -10.200 3.252 1.00 0.97 C ATOM 1088 CG2 ILE A 71 -0.125 -11.502 1.111 1.00 1.61 C ATOM 1089 CD1 ILE A 71 0.410 -11.195 4.319 1.00 1.32 C ATOM 0 H ILE A 71 -1.434 -8.080 1.603 1.00 0.63 H new ATOM 0 HA ILE A 71 -2.727 -10.673 1.141 1.00 0.76 H new ATOM 0 HB ILE A 71 -1.447 -11.745 2.782 1.00 0.85 H new ATOM 0 HG12 ILE A 71 0.837 -9.795 2.731 1.00 0.97 H new ATOM 0 HG13 ILE A 71 -0.549 -9.358 3.711 1.00 0.97 H new ATOM 0 HG21 ILE A 71 0.675 -12.120 1.518 1.00 1.61 H new ATOM 0 HG22 ILE A 71 -0.764 -12.110 0.470 1.00 1.61 H new ATOM 0 HG23 ILE A 71 0.306 -10.689 0.527 1.00 1.61 H new ATOM 0 HD11 ILE A 71 1.070 -10.698 5.030 1.00 1.32 H new ATOM 0 HD12 ILE A 71 -0.465 -11.578 4.843 1.00 1.32 H new ATOM 0 HD13 ILE A 71 0.941 -12.022 3.848 1.00 1.32 H new