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 Set 1.1: A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 1.2: A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 20 ASN : amide:sc= 0.0425 K(o=-0.012,f=-1.2) USER MOD Set 2.2: A 24 ASN : amide:sc= -0.0547 K(o=-0.012,f=-1.1) USER MOD Single : A 2 SER OG : rot -30:sc= 0.583 USER MOD Single : A 3 SER OG : rot 180:sc= -0.0513 USER MOD Single : A 4 LYS NZ :NH3+ -153:sc= -0.165 (180deg=-0.978) USER MOD Single : A 5 CYS SG : rot 105:sc= 0.335 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0 K(o=0,f=-0.94) USER MOD Single : A 10 THR OG1 : rot 44:sc= 0.601 USER MOD Single : A 16 SER OG : rot 36:sc= 0.208 USER MOD Single : A 17 CYS SG : rot 57:sc= 0.032 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 30:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -1.04 K(o=-1,f=-5.1!) USER MOD Single : A 69 THR OG1 : rot -37:sc= 1.03 USER MOD ----------------------------------------------------------------- ATOM 17 N SER A 2 -13.485 -0.580 8.808 1.00 1.81 N ATOM 18 CA SER A 2 -12.272 -0.875 8.067 1.00 1.10 C ATOM 19 C SER A 2 -11.684 -2.205 8.554 1.00 0.88 C ATOM 20 O SER A 2 -12.171 -2.772 9.534 1.00 1.33 O ATOM 21 CB SER A 2 -11.315 0.296 8.326 1.00 1.61 C ATOM 22 OG SER A 2 -11.377 0.674 9.694 1.00 2.35 O ATOM 0 HA SER A 2 -12.456 -0.981 6.998 1.00 1.10 H new ATOM 0 HB2 SER A 2 -10.296 0.010 8.064 1.00 1.61 H new ATOM 0 HB3 SER A 2 -11.581 1.142 7.693 1.00 1.61 H new ATOM 0 HG SER A 2 -12.273 0.487 10.045 1.00 2.35 H new ATOM 28 N SER A 3 -10.615 -2.676 7.909 1.00 0.70 N ATOM 29 CA SER A 3 -9.730 -3.699 8.448 1.00 0.65 C ATOM 30 C SER A 3 -8.294 -3.358 8.062 1.00 0.51 C ATOM 31 O SER A 3 -8.051 -2.386 7.348 1.00 0.48 O ATOM 32 CB SER A 3 -10.120 -5.107 7.973 1.00 0.87 C ATOM 33 OG SER A 3 -9.375 -6.055 8.724 1.00 2.27 O ATOM 0 H SER A 3 -10.339 -2.349 6.983 1.00 0.70 H new ATOM 0 HA SER A 3 -9.823 -3.710 9.534 1.00 0.65 H new ATOM 0 HB2 SER A 3 -11.189 -5.271 8.109 1.00 0.87 H new ATOM 0 HB3 SER A 3 -9.913 -5.219 6.909 1.00 0.87 H new ATOM 0 HG SER A 3 -9.613 -6.961 8.435 1.00 2.27 H new ATOM 39 N LYS A 4 -7.349 -4.145 8.564 1.00 0.59 N ATOM 40 CA LYS A 4 -5.922 -3.981 8.333 1.00 0.66 C ATOM 41 C LYS A 4 -5.551 -4.755 7.067 1.00 0.58 C ATOM 42 O LYS A 4 -6.015 -5.880 6.891 1.00 0.86 O ATOM 43 CB LYS A 4 -5.168 -4.476 9.574 1.00 1.06 C ATOM 44 CG LYS A 4 -5.406 -3.509 10.746 1.00 1.77 C ATOM 45 CD LYS A 4 -5.328 -4.170 12.127 1.00 2.51 C ATOM 46 CE LYS A 4 -3.943 -4.729 12.489 1.00 3.14 C ATOM 47 NZ LYS A 4 -3.676 -6.030 11.842 1.00 4.36 N ATOM 0 H LYS A 4 -7.565 -4.942 9.163 1.00 0.59 H new ATOM 0 HA LYS A 4 -5.648 -2.937 8.178 1.00 0.66 H new ATOM 0 HB2 LYS A 4 -5.506 -5.477 9.842 1.00 1.06 H new ATOM 0 HB3 LYS A 4 -4.102 -4.547 9.359 1.00 1.06 H new ATOM 0 HG2 LYS A 4 -4.670 -2.707 10.697 1.00 1.77 H new ATOM 0 HG3 LYS A 4 -6.387 -3.049 10.630 1.00 1.77 H new ATOM 0 HD2 LYS A 4 -5.620 -3.440 12.882 1.00 2.51 H new ATOM 0 HD3 LYS A 4 -6.055 -4.981 12.169 1.00 2.51 H new ATOM 0 HE2 LYS A 4 -3.176 -4.014 12.192 1.00 3.14 H new ATOM 0 HE3 LYS A 4 -3.871 -4.842 13.571 1.00 3.14 H new ATOM 0 HZ1 LYS A 4 -3.004 -6.574 12.420 1.00 4.36 H new ATOM 0 HZ2 LYS A 4 -4.565 -6.562 11.753 1.00 4.36 H new ATOM 0 HZ3 LYS A 4 -3.271 -5.871 10.897 1.00 4.36 H new ATOM 61 N CYS A 5 -4.761 -4.144 6.180 1.00 0.56 N ATOM 62 CA CYS A 5 -4.326 -4.754 4.928 1.00 0.56 C ATOM 63 C CYS A 5 -2.806 -4.778 4.925 1.00 0.46 C ATOM 64 O CYS A 5 -2.164 -3.734 5.073 1.00 0.50 O ATOM 65 CB CYS A 5 -4.842 -3.959 3.732 1.00 0.80 C ATOM 66 SG CYS A 5 -5.000 -5.049 2.305 1.00 1.55 S ATOM 0 H CYS A 5 -4.403 -3.199 6.316 1.00 0.56 H new ATOM 0 HA CYS A 5 -4.724 -5.766 4.849 1.00 0.56 H new ATOM 0 HB2 CYS A 5 -5.807 -3.511 3.969 1.00 0.80 H new ATOM 0 HB3 CYS A 5 -4.159 -3.141 3.504 1.00 0.80 H new ATOM 0 HG CYS A 5 -6.255 -5.325 2.106 1.00 1.55 H new ATOM 72 N TYR A 6 -2.227 -5.968 4.817 1.00 0.42 N ATOM 73 CA TYR A 6 -0.809 -6.160 5.042 1.00 0.42 C ATOM 74 C TYR A 6 -0.156 -6.270 3.672 1.00 0.42 C ATOM 75 O TYR A 6 -0.421 -7.234 2.960 1.00 0.59 O ATOM 76 CB TYR A 6 -0.630 -7.417 5.905 1.00 0.56 C ATOM 77 CG TYR A 6 0.547 -7.345 6.848 1.00 0.72 C ATOM 78 CD1 TYR A 6 1.848 -7.604 6.381 1.00 2.27 C ATOM 79 CD2 TYR A 6 0.343 -6.966 8.188 1.00 1.84 C ATOM 80 CE1 TYR A 6 2.939 -7.509 7.260 1.00 2.75 C ATOM 81 CE2 TYR A 6 1.431 -6.902 9.072 1.00 1.99 C ATOM 82 CZ TYR A 6 2.730 -7.152 8.604 1.00 1.89 C ATOM 83 OH TYR A 6 3.783 -7.104 9.469 1.00 2.52 O ATOM 0 H TYR A 6 -2.730 -6.821 4.572 1.00 0.42 H new ATOM 0 HA TYR A 6 -0.338 -5.336 5.578 1.00 0.42 H new ATOM 0 HB2 TYR A 6 -1.539 -7.581 6.484 1.00 0.56 H new ATOM 0 HB3 TYR A 6 -0.508 -8.281 5.252 1.00 0.56 H new ATOM 0 HD1 TYR A 6 2.008 -7.876 5.348 1.00 2.27 H new ATOM 0 HD2 TYR A 6 -0.651 -6.725 8.536 1.00 1.84 H new ATOM 0 HE1 TYR A 6 3.939 -7.710 6.904 1.00 2.75 H new ATOM 0 HE2 TYR A 6 1.269 -6.660 10.112 1.00 1.99 H new ATOM 0 HH TYR A 6 3.465 -6.839 10.357 1.00 2.52 H new ATOM 93 N ILE A 7 0.638 -5.282 3.252 1.00 0.40 N ATOM 94 CA ILE A 7 1.250 -5.306 1.929 1.00 0.40 C ATOM 95 C ILE A 7 2.739 -5.580 2.115 1.00 0.35 C ATOM 96 O ILE A 7 3.379 -5.023 3.010 1.00 0.39 O ATOM 97 CB ILE A 7 0.978 -4.026 1.106 1.00 0.43 C ATOM 98 CG1 ILE A 7 -0.251 -3.219 1.560 1.00 0.92 C ATOM 99 CG2 ILE A 7 0.859 -4.371 -0.391 1.00 0.48 C ATOM 100 CD1 ILE A 7 -1.573 -3.937 1.296 1.00 1.42 C ATOM 0 H ILE A 7 0.869 -4.460 3.810 1.00 0.40 H new ATOM 0 HA ILE A 7 0.796 -6.100 1.336 1.00 0.40 H new ATOM 0 HB ILE A 7 1.837 -3.379 1.283 1.00 0.43 H new ATOM 0 HG12 ILE A 7 -0.166 -3.008 2.626 1.00 0.92 H new ATOM 0 HG13 ILE A 7 -0.257 -2.258 1.045 1.00 0.92 H new ATOM 0 HG21 ILE A 7 0.667 -3.461 -0.960 1.00 0.48 H new ATOM 0 HG22 ILE A 7 1.788 -4.825 -0.735 1.00 0.48 H new ATOM 0 HG23 ILE A 7 0.037 -5.071 -0.539 1.00 0.48 H new ATOM 0 HD11 ILE A 7 -2.400 -3.315 1.639 1.00 1.42 H new ATOM 0 HD12 ILE A 7 -1.679 -4.124 0.227 1.00 1.42 H new ATOM 0 HD13 ILE A 7 -1.586 -4.885 1.833 1.00 1.42 H new ATOM 112 N GLN A 8 3.300 -6.454 1.283 1.00 0.49 N ATOM 113 CA GLN A 8 4.727 -6.712 1.280 1.00 0.65 C ATOM 114 C GLN A 8 5.242 -6.575 -0.148 1.00 0.81 C ATOM 115 O GLN A 8 4.486 -6.732 -1.109 1.00 0.82 O ATOM 116 CB GLN A 8 4.995 -8.069 1.942 1.00 0.89 C ATOM 117 CG GLN A 8 6.495 -8.353 2.087 1.00 1.42 C ATOM 118 CD GLN A 8 6.797 -9.428 3.128 1.00 1.34 C ATOM 119 OE1 GLN A 8 5.902 -10.071 3.666 1.00 1.66 O ATOM 120 NE2 GLN A 8 8.072 -9.619 3.449 1.00 2.21 N ATOM 0 H GLN A 8 2.776 -6.998 0.597 1.00 0.49 H new ATOM 0 HA GLN A 8 5.282 -5.985 1.873 1.00 0.65 H new ATOM 0 HB2 GLN A 8 4.525 -8.091 2.925 1.00 0.89 H new ATOM 0 HB3 GLN A 8 4.532 -8.859 1.350 1.00 0.89 H new ATOM 0 HG2 GLN A 8 6.896 -8.665 1.123 1.00 1.42 H new ATOM 0 HG3 GLN A 8 7.009 -7.432 2.363 1.00 1.42 H new ATOM 0 HE21 GLN A 8 8.801 -9.073 2.989 1.00 2.21 H new ATOM 0 HE22 GLN A 8 8.322 -10.311 4.155 1.00 2.21 H new ATOM 129 N VAL A 9 6.517 -6.208 -0.276 1.00 0.98 N ATOM 130 CA VAL A 9 7.214 -6.014 -1.532 1.00 1.25 C ATOM 131 C VAL A 9 8.698 -6.174 -1.219 1.00 1.17 C ATOM 132 O VAL A 9 9.102 -5.950 -0.080 1.00 1.23 O ATOM 133 CB VAL A 9 6.866 -4.634 -2.121 1.00 1.49 C ATOM 134 CG1 VAL A 9 7.102 -3.507 -1.116 1.00 1.99 C ATOM 135 CG2 VAL A 9 7.650 -4.320 -3.400 1.00 3.06 C ATOM 0 H VAL A 9 7.112 -6.032 0.533 1.00 0.98 H new ATOM 0 HA VAL A 9 6.921 -6.738 -2.292 1.00 1.25 H new ATOM 0 HB VAL A 9 5.805 -4.689 -2.365 1.00 1.49 H new ATOM 0 HG11 VAL A 9 6.844 -2.552 -1.573 1.00 1.99 H new ATOM 0 HG12 VAL A 9 6.479 -3.668 -0.236 1.00 1.99 H new ATOM 0 HG13 VAL A 9 8.151 -3.496 -0.821 1.00 1.99 H new ATOM 0 HG21 VAL A 9 7.364 -3.335 -3.770 1.00 3.06 H new ATOM 0 HG22 VAL A 9 8.718 -4.330 -3.184 1.00 3.06 H new ATOM 0 HG23 VAL A 9 7.426 -5.071 -4.157 1.00 3.06 H new ATOM 145 N THR A 10 9.505 -6.572 -2.201 1.00 1.29 N ATOM 146 CA THR A 10 10.925 -6.810 -2.005 1.00 1.41 C ATOM 147 C THR A 10 11.701 -5.653 -2.603 1.00 1.39 C ATOM 148 O THR A 10 12.089 -5.702 -3.769 1.00 1.53 O ATOM 149 CB THR A 10 11.284 -8.154 -2.650 1.00 1.71 C ATOM 150 OG1 THR A 10 10.849 -8.136 -3.995 1.00 1.74 O ATOM 151 CG2 THR A 10 10.596 -9.312 -1.920 1.00 2.42 C ATOM 0 H THR A 10 9.187 -6.738 -3.156 1.00 1.29 H new ATOM 0 HA THR A 10 11.182 -6.866 -0.947 1.00 1.41 H new ATOM 0 HB THR A 10 12.363 -8.299 -2.591 1.00 1.71 H new ATOM 0 HG1 THR A 10 11.086 -7.278 -4.404 1.00 1.74 H new ATOM 0 HG21 THR A 10 10.866 -10.254 -2.396 1.00 2.42 H new ATOM 0 HG22 THR A 10 10.916 -9.327 -0.878 1.00 2.42 H new ATOM 0 HG23 THR A 10 9.515 -9.180 -1.965 1.00 2.42 H new ATOM 218 N SER A 16 13.303 7.886 -0.898 1.00 1.20 N ATOM 219 CA SER A 16 12.403 8.957 -1.285 1.00 1.52 C ATOM 220 C SER A 16 11.512 8.478 -2.417 1.00 1.74 C ATOM 221 O SER A 16 11.845 8.619 -3.591 1.00 2.85 O ATOM 222 CB SER A 16 13.198 10.181 -1.708 1.00 2.02 C ATOM 223 OG SER A 16 14.119 10.532 -0.693 1.00 2.00 O ATOM 0 HA SER A 16 11.779 9.235 -0.436 1.00 1.52 H new ATOM 0 HB2 SER A 16 13.729 9.977 -2.638 1.00 2.02 H new ATOM 0 HB3 SER A 16 12.523 11.014 -1.903 1.00 2.02 H new ATOM 0 HG SER A 16 14.460 9.719 -0.265 1.00 2.00 H new ATOM 229 N CYS A 17 10.365 7.937 -2.034 1.00 1.66 N ATOM 230 CA CYS A 17 9.274 7.562 -2.922 1.00 1.89 C ATOM 231 C CYS A 17 8.095 7.087 -2.086 1.00 1.53 C ATOM 232 O CYS A 17 6.956 7.362 -2.458 1.00 1.42 O ATOM 233 CB CYS A 17 9.663 6.481 -3.939 1.00 2.18 C ATOM 234 SG CYS A 17 9.940 7.175 -5.587 1.00 3.89 S ATOM 0 H CYS A 17 10.160 7.739 -1.055 1.00 1.66 H new ATOM 0 HA CYS A 17 9.008 8.447 -3.501 1.00 1.89 H new ATOM 0 HB2 CYS A 17 10.567 5.974 -3.602 1.00 2.18 H new ATOM 0 HB3 CYS A 17 8.875 5.729 -3.989 1.00 2.18 H new ATOM 0 HG CYS A 17 10.856 8.096 -5.522 1.00 3.89 H new ATOM 240 N VAL A 18 8.351 6.417 -0.949 1.00 1.41 N ATOM 241 CA VAL A 18 7.268 5.923 -0.093 1.00 1.16 C ATOM 242 C VAL A 18 6.244 7.030 0.136 1.00 0.93 C ATOM 243 O VAL A 18 5.074 6.836 -0.150 1.00 0.76 O ATOM 244 CB VAL A 18 7.773 5.270 1.209 1.00 1.22 C ATOM 245 CG1 VAL A 18 7.994 6.205 2.404 1.00 2.50 C ATOM 246 CG2 VAL A 18 6.817 4.157 1.649 1.00 1.58 C ATOM 0 H VAL A 18 9.289 6.209 -0.607 1.00 1.41 H new ATOM 0 HA VAL A 18 6.765 5.109 -0.616 1.00 1.16 H new ATOM 0 HB VAL A 18 8.760 4.895 0.938 1.00 1.22 H new ATOM 0 HG11 VAL A 18 8.349 5.627 3.257 1.00 2.50 H new ATOM 0 HG12 VAL A 18 8.736 6.960 2.143 1.00 2.50 H new ATOM 0 HG13 VAL A 18 7.055 6.694 2.662 1.00 2.50 H new ATOM 0 HG21 VAL A 18 7.185 3.704 2.570 1.00 1.58 H new ATOM 0 HG22 VAL A 18 5.826 4.576 1.822 1.00 1.58 H new ATOM 0 HG23 VAL A 18 6.759 3.398 0.869 1.00 1.58 H new ATOM 256 N ALA A 19 6.721 8.215 0.522 1.00 1.06 N ATOM 257 CA ALA A 19 5.940 9.442 0.707 1.00 1.04 C ATOM 258 C ALA A 19 4.850 9.668 -0.356 1.00 0.94 C ATOM 259 O ALA A 19 3.744 10.111 -0.037 1.00 0.89 O ATOM 260 CB ALA A 19 6.884 10.652 0.781 1.00 1.28 C ATOM 0 H ALA A 19 7.711 8.353 0.724 1.00 1.06 H new ATOM 0 HA ALA A 19 5.403 9.323 1.648 1.00 1.04 H new ATOM 0 HB1 ALA A 19 6.299 11.562 0.918 1.00 1.28 H new ATOM 0 HB2 ALA A 19 7.567 10.529 1.621 1.00 1.28 H new ATOM 0 HB3 ALA A 19 7.456 10.725 -0.144 1.00 1.28 H new ATOM 266 N ASN A 20 5.164 9.402 -1.628 1.00 0.96 N ATOM 267 CA ASN A 20 4.210 9.545 -2.720 1.00 0.89 C ATOM 268 C ASN A 20 3.076 8.540 -2.529 1.00 0.74 C ATOM 269 O ASN A 20 1.905 8.904 -2.404 1.00 0.73 O ATOM 270 CB ASN A 20 4.934 9.325 -4.058 1.00 0.95 C ATOM 271 CG ASN A 20 3.960 9.274 -5.235 1.00 0.80 C ATOM 272 OD1 ASN A 20 3.012 10.045 -5.310 1.00 1.34 O ATOM 273 ND2 ASN A 20 4.162 8.347 -6.168 1.00 1.09 N ATOM 0 H ASN A 20 6.086 9.082 -1.924 1.00 0.96 H new ATOM 0 HA ASN A 20 3.783 10.548 -2.725 1.00 0.89 H new ATOM 0 HB2 ASN A 20 5.653 10.128 -4.217 1.00 0.95 H new ATOM 0 HB3 ASN A 20 5.500 8.394 -4.015 1.00 0.95 H new ATOM 0 HD21 ASN A 20 3.523 8.272 -6.959 1.00 1.09 H new ATOM 0 HD22 ASN A 20 4.956 7.712 -6.092 1.00 1.09 H new ATOM 280 N ILE A 21 3.451 7.262 -2.469 1.00 0.70 N ATOM 281 CA ILE A 21 2.532 6.154 -2.271 1.00 0.60 C ATOM 282 C ILE A 21 1.716 6.380 -0.996 1.00 0.49 C ATOM 283 O ILE A 21 0.510 6.142 -1.003 1.00 0.57 O ATOM 284 CB ILE A 21 3.309 4.820 -2.265 1.00 0.73 C ATOM 285 CG1 ILE A 21 3.679 4.344 -3.678 1.00 0.83 C ATOM 286 CG2 ILE A 21 2.503 3.706 -1.615 1.00 0.80 C ATOM 287 CD1 ILE A 21 5.024 4.933 -4.088 1.00 2.24 C ATOM 0 H ILE A 21 4.424 6.968 -2.559 1.00 0.70 H new ATOM 0 HA ILE A 21 1.822 6.100 -3.096 1.00 0.60 H new ATOM 0 HB ILE A 21 4.216 5.024 -1.697 1.00 0.73 H new ATOM 0 HG12 ILE A 21 3.726 3.255 -3.704 1.00 0.83 H new ATOM 0 HG13 ILE A 21 2.908 4.647 -4.387 1.00 0.83 H new ATOM 0 HG21 ILE A 21 3.082 2.782 -1.629 1.00 0.80 H new ATOM 0 HG22 ILE A 21 2.275 3.976 -0.584 1.00 0.80 H new ATOM 0 HG23 ILE A 21 1.574 3.560 -2.166 1.00 0.80 H new ATOM 0 HD11 ILE A 21 5.280 4.591 -5.091 1.00 2.24 H new ATOM 0 HD12 ILE A 21 4.962 6.021 -4.080 1.00 2.24 H new ATOM 0 HD13 ILE A 21 5.792 4.608 -3.387 1.00 2.24 H new ATOM 299 N GLU A 22 2.362 6.848 0.078 1.00 0.50 N ATOM 300 CA GLU A 22 1.726 7.159 1.338 1.00 0.48 C ATOM 301 C GLU A 22 0.517 8.039 1.068 1.00 0.57 C ATOM 302 O GLU A 22 -0.599 7.571 1.207 1.00 0.73 O ATOM 303 CB GLU A 22 2.690 7.828 2.327 1.00 0.52 C ATOM 304 CG GLU A 22 3.652 6.842 3.000 1.00 0.60 C ATOM 305 CD GLU A 22 4.395 7.531 4.138 1.00 0.91 C ATOM 306 OE1 GLU A 22 5.413 8.187 3.835 1.00 1.74 O ATOM 307 OE2 GLU A 22 3.902 7.432 5.282 1.00 1.85 O ATOM 0 H GLU A 22 3.367 7.021 0.082 1.00 0.50 H new ATOM 0 HA GLU A 22 1.409 6.229 1.809 1.00 0.48 H new ATOM 0 HB2 GLU A 22 3.269 8.588 1.802 1.00 0.52 H new ATOM 0 HB3 GLU A 22 2.112 8.342 3.095 1.00 0.52 H new ATOM 0 HG2 GLU A 22 3.098 5.985 3.383 1.00 0.60 H new ATOM 0 HG3 GLU A 22 4.364 6.460 2.269 1.00 0.60 H new ATOM 314 N ARG A 23 0.730 9.290 0.657 1.00 0.73 N ATOM 315 CA ARG A 23 -0.325 10.235 0.317 1.00 0.98 C ATOM 316 C ARG A 23 -1.360 9.628 -0.631 1.00 0.99 C ATOM 317 O ARG A 23 -2.559 9.781 -0.394 1.00 1.45 O ATOM 318 CB ARG A 23 0.249 11.548 -0.245 1.00 1.27 C ATOM 319 CG ARG A 23 -0.064 12.692 0.731 1.00 2.06 C ATOM 320 CD ARG A 23 0.256 14.070 0.149 1.00 1.89 C ATOM 321 NE ARG A 23 1.706 14.306 0.060 1.00 2.26 N ATOM 322 CZ ARG A 23 2.254 15.488 -0.265 1.00 2.89 C ATOM 323 NH1 ARG A 23 1.466 16.496 -0.659 1.00 3.27 N ATOM 324 NH2 ARG A 23 3.577 15.662 -0.188 1.00 4.00 N ATOM 0 H ARG A 23 1.666 9.680 0.550 1.00 0.73 H new ATOM 0 HA ARG A 23 -0.844 10.473 1.245 1.00 0.98 H new ATOM 0 HB2 ARG A 23 1.326 11.458 -0.385 1.00 1.27 H new ATOM 0 HB3 ARG A 23 -0.183 11.759 -1.223 1.00 1.27 H new ATOM 0 HG2 ARG A 23 -1.119 12.653 1.003 1.00 2.06 H new ATOM 0 HG3 ARG A 23 0.507 12.548 1.648 1.00 2.06 H new ATOM 0 HD2 ARG A 23 -0.187 14.157 -0.843 1.00 1.89 H new ATOM 0 HD3 ARG A 23 -0.200 14.841 0.770 1.00 1.89 H new ATOM 0 HE ARG A 23 2.332 13.525 0.257 1.00 2.26 H new ATOM 0 HH11 ARG A 23 0.456 16.363 -0.711 1.00 3.27 H new ATOM 0 HH12 ARG A 23 1.876 17.397 -0.907 1.00 3.27 H new ATOM 0 HH21 ARG A 23 4.175 14.895 0.119 1.00 4.00 H new ATOM 0 HH22 ARG A 23 3.988 16.562 -0.436 1.00 4.00 H new ATOM 338 N ASN A 24 -0.904 8.958 -1.696 1.00 0.65 N ATOM 339 CA ASN A 24 -1.802 8.331 -2.664 1.00 0.65 C ATOM 340 C ASN A 24 -2.804 7.439 -1.934 1.00 0.67 C ATOM 341 O ASN A 24 -4.011 7.623 -2.074 1.00 0.83 O ATOM 342 CB ASN A 24 -1.022 7.551 -3.736 1.00 0.66 C ATOM 343 CG ASN A 24 -0.112 8.447 -4.574 1.00 1.86 C ATOM 344 OD1 ASN A 24 -0.313 9.654 -4.650 1.00 2.90 O ATOM 345 ND2 ASN A 24 0.908 7.874 -5.208 1.00 2.54 N ATOM 0 H ASN A 24 0.087 8.838 -1.907 1.00 0.65 H new ATOM 0 HA ASN A 24 -2.352 9.113 -3.188 1.00 0.65 H new ATOM 0 HB2 ASN A 24 -0.421 6.780 -3.253 1.00 0.66 H new ATOM 0 HB3 ASN A 24 -1.727 7.041 -4.393 1.00 0.66 H new ATOM 0 HD21 ASN A 24 1.542 8.441 -5.771 1.00 2.54 H new ATOM 0 HD22 ASN A 24 1.056 6.868 -5.131 1.00 2.54 H new ATOM 352 N LEU A 25 -2.310 6.515 -1.106 1.00 0.62 N ATOM 353 CA LEU A 25 -3.173 5.667 -0.297 1.00 0.63 C ATOM 354 C LEU A 25 -3.953 6.497 0.713 1.00 0.58 C ATOM 355 O LEU A 25 -5.151 6.304 0.849 1.00 0.85 O ATOM 356 CB LEU A 25 -2.374 4.555 0.388 1.00 0.72 C ATOM 357 CG LEU A 25 -2.367 3.285 -0.472 1.00 1.05 C ATOM 358 CD1 LEU A 25 -1.694 3.499 -1.831 1.00 1.55 C ATOM 359 CD2 LEU A 25 -1.676 2.174 0.309 1.00 1.95 C ATOM 0 H LEU A 25 -1.313 6.339 -0.982 1.00 0.62 H new ATOM 0 HA LEU A 25 -3.893 5.187 -0.960 1.00 0.63 H new ATOM 0 HB2 LEU A 25 -1.351 4.889 0.561 1.00 0.72 H new ATOM 0 HB3 LEU A 25 -2.807 4.337 1.364 1.00 0.72 H new ATOM 0 HG LEU A 25 -3.399 3.008 -0.688 1.00 1.05 H new ATOM 0 HD11 LEU A 25 -1.717 2.569 -2.399 1.00 1.55 H new ATOM 0 HD12 LEU A 25 -2.226 4.274 -2.383 1.00 1.55 H new ATOM 0 HD13 LEU A 25 -0.659 3.807 -1.680 1.00 1.55 H new ATOM 0 HD21 LEU A 25 -1.663 1.263 -0.289 1.00 1.95 H new ATOM 0 HD22 LEU A 25 -0.653 2.473 0.538 1.00 1.95 H new ATOM 0 HD23 LEU A 25 -2.217 1.991 1.237 1.00 1.95 H new ATOM 371 N ARG A 26 -3.310 7.438 1.411 1.00 0.55 N ATOM 372 CA ARG A 26 -3.927 8.298 2.401 1.00 0.56 C ATOM 373 C ARG A 26 -5.222 8.906 1.842 1.00 0.94 C ATOM 374 O ARG A 26 -6.171 9.151 2.582 1.00 1.42 O ATOM 375 CB ARG A 26 -2.948 9.402 2.842 1.00 0.79 C ATOM 376 CG ARG A 26 -2.872 9.543 4.367 1.00 2.59 C ATOM 377 CD ARG A 26 -3.559 10.808 4.893 1.00 3.21 C ATOM 378 NE ARG A 26 -3.798 10.703 6.343 1.00 4.62 N ATOM 379 CZ ARG A 26 -4.044 11.723 7.183 1.00 5.75 C ATOM 380 NH1 ARG A 26 -3.987 12.986 6.745 1.00 5.90 N ATOM 381 NH2 ARG A 26 -4.353 11.473 8.461 1.00 7.09 N ATOM 0 H ARG A 26 -2.314 7.621 1.292 1.00 0.55 H new ATOM 0 HA ARG A 26 -4.178 7.700 3.277 1.00 0.56 H new ATOM 0 HB2 ARG A 26 -1.955 9.180 2.451 1.00 0.79 H new ATOM 0 HB3 ARG A 26 -3.257 10.353 2.407 1.00 0.79 H new ATOM 0 HG2 ARG A 26 -3.331 8.669 4.829 1.00 2.59 H new ATOM 0 HG3 ARG A 26 -1.826 9.552 4.673 1.00 2.59 H new ATOM 0 HD2 ARG A 26 -2.939 11.679 4.683 1.00 3.21 H new ATOM 0 HD3 ARG A 26 -4.505 10.958 4.373 1.00 3.21 H new ATOM 0 HE ARG A 26 -3.775 9.767 6.748 1.00 4.62 H new ATOM 0 HH11 ARG A 26 -3.756 13.178 5.770 1.00 5.90 H new ATOM 0 HH12 ARG A 26 -4.174 13.757 7.386 1.00 5.90 H new ATOM 0 HH21 ARG A 26 -4.401 10.510 8.795 1.00 7.09 H new ATOM 0 HH22 ARG A 26 -4.540 12.245 9.101 1.00 7.09 H new ATOM 395 N ARG A 27 -5.213 9.186 0.531 1.00 1.28 N ATOM 396 CA ARG A 27 -6.304 9.769 -0.235 1.00 2.02 C ATOM 397 C ARG A 27 -7.224 8.738 -0.914 1.00 1.56 C ATOM 398 O ARG A 27 -8.287 9.141 -1.387 1.00 2.32 O ATOM 399 CB ARG A 27 -5.695 10.720 -1.275 1.00 3.05 C ATOM 400 CG ARG A 27 -5.107 11.968 -0.594 1.00 3.42 C ATOM 401 CD ARG A 27 -6.107 13.130 -0.645 1.00 3.99 C ATOM 402 NE ARG A 27 -6.097 13.764 -1.974 1.00 4.75 N ATOM 403 CZ ARG A 27 -6.996 14.651 -2.433 1.00 5.53 C ATOM 404 NH1 ARG A 27 -8.097 14.920 -1.724 1.00 5.66 N ATOM 405 NH2 ARG A 27 -6.779 15.272 -3.597 1.00 6.62 N ATOM 0 H ARG A 27 -4.395 8.998 -0.048 1.00 1.28 H new ATOM 0 HA ARG A 27 -6.951 10.300 0.463 1.00 2.02 H new ATOM 0 HB2 ARG A 27 -4.915 10.204 -1.834 1.00 3.05 H new ATOM 0 HB3 ARG A 27 -6.459 11.018 -1.994 1.00 3.05 H new ATOM 0 HG2 ARG A 27 -4.858 11.740 0.442 1.00 3.42 H new ATOM 0 HG3 ARG A 27 -4.180 12.257 -1.089 1.00 3.42 H new ATOM 0 HD2 ARG A 27 -7.109 12.765 -0.418 1.00 3.99 H new ATOM 0 HD3 ARG A 27 -5.856 13.867 0.118 1.00 3.99 H new ATOM 0 HE ARG A 27 -5.338 13.506 -2.604 1.00 4.75 H new ATOM 0 HH11 ARG A 27 -8.256 14.451 -0.832 1.00 5.66 H new ATOM 0 HH12 ARG A 27 -8.778 15.594 -2.075 1.00 5.66 H new ATOM 0 HH21 ARG A 27 -5.934 15.072 -4.132 1.00 6.62 H new ATOM 0 HH22 ARG A 27 -7.458 15.946 -3.950 1.00 6.62 H new ATOM 419 N GLU A 28 -6.868 7.449 -0.995 1.00 0.89 N ATOM 420 CA GLU A 28 -7.776 6.439 -1.533 1.00 0.87 C ATOM 421 C GLU A 28 -9.057 6.412 -0.702 1.00 1.09 C ATOM 422 O GLU A 28 -9.007 6.247 0.521 1.00 1.98 O ATOM 423 CB GLU A 28 -7.163 5.031 -1.547 1.00 0.99 C ATOM 424 CG GLU A 28 -6.294 4.745 -2.776 1.00 1.29 C ATOM 425 CD GLU A 28 -5.996 3.251 -2.879 1.00 2.37 C ATOM 426 OE1 GLU A 28 -6.930 2.516 -3.261 1.00 2.80 O ATOM 427 OE2 GLU A 28 -4.861 2.865 -2.529 1.00 3.54 O ATOM 0 H GLU A 28 -5.963 7.087 -0.696 1.00 0.89 H new ATOM 0 HA GLU A 28 -7.984 6.717 -2.566 1.00 0.87 H new ATOM 0 HB2 GLU A 28 -6.560 4.899 -0.649 1.00 0.99 H new ATOM 0 HB3 GLU A 28 -7.966 4.295 -1.503 1.00 0.99 H new ATOM 0 HG2 GLU A 28 -6.805 5.084 -3.677 1.00 1.29 H new ATOM 0 HG3 GLU A 28 -5.361 5.305 -2.708 1.00 1.29 H new ATOM 434 N GLU A 29 -10.201 6.550 -1.376 1.00 0.95 N ATOM 435 CA GLU A 29 -11.513 6.630 -0.759 1.00 1.32 C ATOM 436 C GLU A 29 -11.878 5.277 -0.139 1.00 1.02 C ATOM 437 O GLU A 29 -12.625 4.483 -0.707 1.00 1.11 O ATOM 438 CB GLU A 29 -12.525 7.127 -1.802 1.00 1.96 C ATOM 439 CG GLU A 29 -13.793 7.676 -1.136 1.00 3.31 C ATOM 440 CD GLU A 29 -14.762 8.266 -2.154 1.00 3.54 C ATOM 441 OE1 GLU A 29 -14.269 8.941 -3.084 1.00 3.67 O ATOM 442 OE2 GLU A 29 -15.977 8.042 -1.974 1.00 4.37 O ATOM 0 H GLU A 29 -10.234 6.610 -2.394 1.00 0.95 H new ATOM 0 HA GLU A 29 -11.521 7.349 0.060 1.00 1.32 H new ATOM 0 HB2 GLU A 29 -12.067 7.905 -2.413 1.00 1.96 H new ATOM 0 HB3 GLU A 29 -12.790 6.309 -2.473 1.00 1.96 H new ATOM 0 HG2 GLU A 29 -14.288 6.877 -0.585 1.00 3.31 H new ATOM 0 HG3 GLU A 29 -13.519 8.442 -0.410 1.00 3.31 H new ATOM 449 N GLY A 30 -11.307 5.009 1.036 1.00 1.00 N ATOM 450 CA GLY A 30 -11.463 3.750 1.733 1.00 0.76 C ATOM 451 C GLY A 30 -10.271 3.394 2.619 1.00 0.69 C ATOM 452 O GLY A 30 -10.437 2.590 3.542 1.00 0.90 O ATOM 0 H GLY A 30 -10.716 5.677 1.531 1.00 1.00 H new ATOM 0 HA2 GLY A 30 -12.363 3.793 2.347 1.00 0.76 H new ATOM 0 HA3 GLY A 30 -11.613 2.955 1.002 1.00 0.76 H new ATOM 456 N ILE A 31 -9.087 3.957 2.350 1.00 0.56 N ATOM 457 CA ILE A 31 -7.936 3.821 3.229 1.00 0.53 C ATOM 458 C ILE A 31 -8.148 4.675 4.485 1.00 0.53 C ATOM 459 O ILE A 31 -8.723 5.759 4.427 1.00 0.61 O ATOM 460 CB ILE A 31 -6.650 4.211 2.478 1.00 0.57 C ATOM 461 CG1 ILE A 31 -6.171 3.118 1.499 1.00 0.89 C ATOM 462 CG2 ILE A 31 -5.501 4.608 3.420 1.00 0.79 C ATOM 463 CD1 ILE A 31 -5.518 1.902 2.164 1.00 1.88 C ATOM 0 H ILE A 31 -8.907 4.517 1.517 1.00 0.56 H new ATOM 0 HA ILE A 31 -7.828 2.783 3.543 1.00 0.53 H new ATOM 0 HB ILE A 31 -6.927 5.090 1.896 1.00 0.57 H new ATOM 0 HG12 ILE A 31 -7.023 2.779 0.910 1.00 0.89 H new ATOM 0 HG13 ILE A 31 -5.458 3.560 0.803 1.00 0.89 H new ATOM 0 HG21 ILE A 31 -4.623 4.872 2.831 1.00 0.79 H new ATOM 0 HG22 ILE A 31 -5.804 5.464 4.023 1.00 0.79 H new ATOM 0 HG23 ILE A 31 -5.261 3.770 4.074 1.00 0.79 H new ATOM 0 HD11 ILE A 31 -5.214 1.188 1.398 1.00 1.88 H new ATOM 0 HD12 ILE A 31 -4.643 2.223 2.729 1.00 1.88 H new ATOM 0 HD13 ILE A 31 -6.232 1.429 2.838 1.00 1.88 H new ATOM 475 N TYR A 32 -7.649 4.174 5.617 1.00 0.53 N ATOM 476 CA TYR A 32 -7.537 4.871 6.890 1.00 0.61 C ATOM 477 C TYR A 32 -6.070 5.173 7.205 1.00 0.59 C ATOM 478 O TYR A 32 -5.769 6.241 7.736 1.00 0.75 O ATOM 479 CB TYR A 32 -8.160 4.017 8.002 1.00 0.74 C ATOM 480 CG TYR A 32 -9.660 4.180 8.143 1.00 0.86 C ATOM 481 CD1 TYR A 32 -10.524 3.731 7.127 1.00 1.54 C ATOM 482 CD2 TYR A 32 -10.189 4.839 9.269 1.00 2.17 C ATOM 483 CE1 TYR A 32 -11.910 3.940 7.239 1.00 1.59 C ATOM 484 CE2 TYR A 32 -11.575 5.042 9.383 1.00 2.29 C ATOM 485 CZ TYR A 32 -12.434 4.596 8.365 1.00 1.21 C ATOM 486 OH TYR A 32 -13.779 4.792 8.469 1.00 1.42 O ATOM 0 H TYR A 32 -7.294 3.219 5.668 1.00 0.53 H new ATOM 0 HA TYR A 32 -8.074 5.817 6.827 1.00 0.61 H new ATOM 0 HB2 TYR A 32 -7.936 2.968 7.808 1.00 0.74 H new ATOM 0 HB3 TYR A 32 -7.687 4.273 8.950 1.00 0.74 H new ATOM 0 HD1 TYR A 32 -10.122 3.226 6.261 1.00 1.54 H new ATOM 0 HD2 TYR A 32 -9.528 5.190 10.048 1.00 2.17 H new ATOM 0 HE1 TYR A 32 -12.572 3.596 6.458 1.00 1.59 H new ATOM 0 HE2 TYR A 32 -11.979 5.540 10.252 1.00 2.29 H new ATOM 0 HH TYR A 32 -13.978 5.259 9.307 1.00 1.42 H new ATOM 496 N SER A 33 -5.157 4.236 6.915 1.00 0.57 N ATOM 497 CA SER A 33 -3.734 4.399 7.190 1.00 0.62 C ATOM 498 C SER A 33 -2.918 3.843 6.034 1.00 0.53 C ATOM 499 O SER A 33 -3.309 2.842 5.436 1.00 0.55 O ATOM 500 CB SER A 33 -3.355 3.688 8.494 1.00 0.74 C ATOM 501 OG SER A 33 -2.025 3.996 8.872 1.00 1.17 O ATOM 0 H SER A 33 -5.391 3.343 6.482 1.00 0.57 H new ATOM 0 HA SER A 33 -3.518 5.462 7.301 1.00 0.62 H new ATOM 0 HB2 SER A 33 -4.041 3.986 9.287 1.00 0.74 H new ATOM 0 HB3 SER A 33 -3.461 2.610 8.369 1.00 0.74 H new ATOM 0 HG SER A 33 -1.807 3.532 9.707 1.00 1.17 H new ATOM 507 N ILE A 34 -1.800 4.511 5.758 1.00 0.52 N ATOM 508 CA ILE A 34 -0.839 4.248 4.698 1.00 0.55 C ATOM 509 C ILE A 34 0.296 3.311 5.120 1.00 0.54 C ATOM 510 O ILE A 34 0.523 3.108 6.309 1.00 0.62 O ATOM 511 CB ILE A 34 -0.226 5.590 4.275 1.00 0.71 C ATOM 512 CG1 ILE A 34 0.900 6.127 5.187 1.00 1.89 C ATOM 513 CG2 ILE A 34 -1.302 6.658 4.081 1.00 0.91 C ATOM 514 CD1 ILE A 34 0.554 6.338 6.664 1.00 3.13 C ATOM 0 H ILE A 34 -1.523 5.317 6.319 1.00 0.52 H new ATOM 0 HA ILE A 34 -1.374 3.754 3.886 1.00 0.55 H new ATOM 0 HB ILE A 34 0.257 5.369 3.323 1.00 0.71 H new ATOM 0 HG12 ILE A 34 1.741 5.436 5.131 1.00 1.89 H new ATOM 0 HG13 ILE A 34 1.242 7.078 4.779 1.00 1.89 H new ATOM 0 HG21 ILE A 34 -0.834 7.596 3.782 1.00 0.91 H new ATOM 0 HG22 ILE A 34 -1.998 6.337 3.306 1.00 0.91 H new ATOM 0 HG23 ILE A 34 -1.842 6.804 5.016 1.00 0.91 H new ATOM 0 HD11 ILE A 34 1.429 6.717 7.192 1.00 3.13 H new ATOM 0 HD12 ILE A 34 -0.260 7.058 6.748 1.00 3.13 H new ATOM 0 HD13 ILE A 34 0.246 5.390 7.105 1.00 3.13 H new ATOM 526 N LEU A 35 1.070 2.833 4.138 1.00 0.58 N ATOM 527 CA LEU A 35 2.187 1.939 4.323 1.00 0.67 C ATOM 528 C LEU A 35 3.448 2.644 4.780 1.00 0.64 C ATOM 529 O LEU A 35 3.934 3.567 4.134 1.00 0.84 O ATOM 530 CB LEU A 35 2.507 1.174 3.036 1.00 0.88 C ATOM 531 CG LEU A 35 2.653 1.982 1.729 1.00 0.85 C ATOM 532 CD1 LEU A 35 4.091 1.894 1.197 1.00 1.52 C ATOM 533 CD2 LEU A 35 1.684 1.413 0.674 1.00 1.76 C ATOM 0 H LEU A 35 0.918 3.077 3.159 1.00 0.58 H new ATOM 0 HA LEU A 35 1.873 1.251 5.108 1.00 0.67 H new ATOM 0 HB2 LEU A 35 3.436 0.626 3.195 1.00 0.88 H new ATOM 0 HB3 LEU A 35 1.722 0.433 2.884 1.00 0.88 H new ATOM 0 HG LEU A 35 2.419 3.027 1.932 1.00 0.85 H new ATOM 0 HD11 LEU A 35 4.174 2.470 0.275 1.00 1.52 H new ATOM 0 HD12 LEU A 35 4.779 2.297 1.940 1.00 1.52 H new ATOM 0 HD13 LEU A 35 4.342 0.852 0.998 1.00 1.52 H new ATOM 0 HD21 LEU A 35 1.781 1.979 -0.252 1.00 1.76 H new ATOM 0 HD22 LEU A 35 1.924 0.366 0.487 1.00 1.76 H new ATOM 0 HD23 LEU A 35 0.660 1.491 1.041 1.00 1.76 H new ATOM 545 N VAL A 36 4.002 2.130 5.876 1.00 0.49 N ATOM 546 CA VAL A 36 5.183 2.659 6.501 1.00 0.47 C ATOM 547 C VAL A 36 5.894 1.578 7.324 1.00 0.46 C ATOM 548 O VAL A 36 5.767 1.507 8.542 1.00 0.55 O ATOM 549 CB VAL A 36 4.788 3.918 7.291 1.00 0.47 C ATOM 550 CG1 VAL A 36 3.688 3.634 8.329 1.00 0.48 C ATOM 551 CG2 VAL A 36 6.024 4.573 7.910 1.00 0.68 C ATOM 0 H VAL A 36 3.622 1.314 6.356 1.00 0.49 H new ATOM 0 HA VAL A 36 5.922 2.965 5.761 1.00 0.47 H new ATOM 0 HB VAL A 36 4.354 4.631 6.590 1.00 0.47 H new ATOM 0 HG11 VAL A 36 3.444 4.553 8.861 1.00 0.48 H new ATOM 0 HG12 VAL A 36 2.798 3.260 7.823 1.00 0.48 H new ATOM 0 HG13 VAL A 36 4.042 2.887 9.039 1.00 0.48 H new ATOM 0 HG21 VAL A 36 5.725 5.462 8.465 1.00 0.68 H new ATOM 0 HG22 VAL A 36 6.509 3.869 8.586 1.00 0.68 H new ATOM 0 HG23 VAL A 36 6.720 4.855 7.120 1.00 0.68 H new ATOM 561 N ALA A 37 6.687 0.735 6.665 1.00 0.42 N ATOM 562 CA ALA A 37 7.650 -0.116 7.352 1.00 0.42 C ATOM 563 C ALA A 37 8.924 -0.208 6.511 1.00 0.49 C ATOM 564 O ALA A 37 9.492 -1.284 6.323 1.00 0.50 O ATOM 565 CB ALA A 37 7.009 -1.460 7.726 1.00 0.39 C ATOM 0 H ALA A 37 6.679 0.625 5.651 1.00 0.42 H new ATOM 0 HA ALA A 37 7.951 0.316 8.307 1.00 0.42 H new ATOM 0 HB1 ALA A 37 7.742 -2.083 8.238 1.00 0.39 H new ATOM 0 HB2 ALA A 37 6.158 -1.286 8.384 1.00 0.39 H new ATOM 0 HB3 ALA A 37 6.671 -1.966 6.822 1.00 0.39 H new ATOM 571 N LEU A 38 9.391 0.959 6.050 1.00 0.59 N ATOM 572 CA LEU A 38 10.663 1.161 5.356 1.00 0.68 C ATOM 573 C LEU A 38 11.818 0.644 6.213 1.00 0.68 C ATOM 574 O LEU A 38 12.755 0.054 5.684 1.00 0.72 O ATOM 575 CB LEU A 38 10.793 2.653 5.004 1.00 0.80 C ATOM 576 CG LEU A 38 11.810 2.986 3.896 1.00 0.87 C ATOM 577 CD1 LEU A 38 11.461 4.363 3.320 1.00 1.53 C ATOM 578 CD2 LEU A 38 13.263 3.026 4.393 1.00 1.35 C ATOM 0 H LEU A 38 8.866 1.827 6.157 1.00 0.59 H new ATOM 0 HA LEU A 38 10.697 0.592 4.427 1.00 0.68 H new ATOM 0 HB2 LEU A 38 9.814 3.023 4.698 1.00 0.80 H new ATOM 0 HB3 LEU A 38 11.072 3.198 5.906 1.00 0.80 H new ATOM 0 HG LEU A 38 11.745 2.194 3.150 1.00 0.87 H new ATOM 0 HD11 LEU A 38 12.170 4.618 2.533 1.00 1.53 H new ATOM 0 HD12 LEU A 38 10.453 4.340 2.907 1.00 1.53 H new ATOM 0 HD13 LEU A 38 11.512 5.112 4.111 1.00 1.53 H new ATOM 0 HD21 LEU A 38 13.926 3.266 3.561 1.00 1.35 H new ATOM 0 HD22 LEU A 38 13.362 3.787 5.167 1.00 1.35 H new ATOM 0 HD23 LEU A 38 13.534 2.053 4.804 1.00 1.35 H new ATOM 590 N MET A 39 11.691 0.808 7.537 1.00 0.69 N ATOM 591 CA MET A 39 12.530 0.222 8.582 1.00 0.73 C ATOM 592 C MET A 39 13.154 -1.117 8.171 1.00 0.70 C ATOM 593 O MET A 39 14.342 -1.339 8.389 1.00 0.81 O ATOM 594 CB MET A 39 11.690 0.070 9.867 1.00 0.80 C ATOM 595 CG MET A 39 12.277 0.857 11.044 1.00 2.22 C ATOM 596 SD MET A 39 13.898 0.290 11.622 1.00 4.06 S ATOM 597 CE MET A 39 14.135 1.405 13.023 1.00 5.19 C ATOM 0 H MET A 39 10.951 1.391 7.928 1.00 0.69 H new ATOM 0 HA MET A 39 13.369 0.896 8.758 1.00 0.73 H new ATOM 0 HB2 MET A 39 10.673 0.412 9.676 1.00 0.80 H new ATOM 0 HB3 MET A 39 11.627 -0.985 10.134 1.00 0.80 H new ATOM 0 HG2 MET A 39 12.359 1.905 10.755 1.00 2.22 H new ATOM 0 HG3 MET A 39 11.576 0.810 11.877 1.00 2.22 H new ATOM 0 HE1 MET A 39 15.092 1.193 13.499 1.00 5.19 H new ATOM 0 HE2 MET A 39 14.125 2.437 12.672 1.00 5.19 H new ATOM 0 HE3 MET A 39 13.331 1.259 13.744 1.00 5.19 H new ATOM 607 N ALA A 40 12.338 -2.002 7.590 1.00 0.65 N ATOM 608 CA ALA A 40 12.788 -3.273 7.034 1.00 0.78 C ATOM 609 C ALA A 40 12.499 -3.392 5.532 1.00 0.84 C ATOM 610 O ALA A 40 13.299 -3.967 4.799 1.00 1.05 O ATOM 611 CB ALA A 40 12.132 -4.400 7.825 1.00 0.91 C ATOM 0 H ALA A 40 11.334 -1.850 7.494 1.00 0.65 H new ATOM 0 HA ALA A 40 13.872 -3.337 7.127 1.00 0.78 H new ATOM 0 HB1 ALA A 40 12.455 -5.361 7.425 1.00 0.91 H new ATOM 0 HB2 ALA A 40 12.423 -4.326 8.873 1.00 0.91 H new ATOM 0 HB3 ALA A 40 11.048 -4.319 7.743 1.00 0.91 H new ATOM 617 N GLY A 41 11.344 -2.893 5.081 1.00 0.76 N ATOM 618 CA GLY A 41 10.887 -2.941 3.701 1.00 0.85 C ATOM 619 C GLY A 41 9.549 -3.673 3.618 1.00 0.77 C ATOM 620 O GLY A 41 9.411 -4.628 2.860 1.00 0.91 O ATOM 0 H GLY A 41 10.679 -2.427 5.698 1.00 0.76 H new ATOM 0 HA2 GLY A 41 10.782 -1.929 3.309 1.00 0.85 H new ATOM 0 HA3 GLY A 41 11.627 -3.448 3.082 1.00 0.85 H new ATOM 624 N LYS A 42 8.562 -3.234 4.407 1.00 0.59 N ATOM 625 CA LYS A 42 7.182 -3.709 4.345 1.00 0.56 C ATOM 626 C LYS A 42 6.238 -2.505 4.401 1.00 0.44 C ATOM 627 O LYS A 42 6.695 -1.363 4.496 1.00 0.43 O ATOM 628 CB LYS A 42 6.873 -4.711 5.468 1.00 0.60 C ATOM 629 CG LYS A 42 7.679 -6.015 5.365 1.00 0.87 C ATOM 630 CD LYS A 42 8.896 -6.062 6.297 1.00 2.15 C ATOM 631 CE LYS A 42 8.474 -5.871 7.765 1.00 2.11 C ATOM 632 NZ LYS A 42 9.248 -6.725 8.692 1.00 3.09 N ATOM 0 H LYS A 42 8.708 -2.522 5.122 1.00 0.59 H new ATOM 0 HA LYS A 42 7.035 -4.242 3.406 1.00 0.56 H new ATOM 0 HB2 LYS A 42 7.078 -4.241 6.430 1.00 0.60 H new ATOM 0 HB3 LYS A 42 5.809 -4.948 5.450 1.00 0.60 H new ATOM 0 HG2 LYS A 42 7.024 -6.856 5.594 1.00 0.87 H new ATOM 0 HG3 LYS A 42 8.015 -6.144 4.336 1.00 0.87 H new ATOM 0 HD2 LYS A 42 9.409 -7.017 6.184 1.00 2.15 H new ATOM 0 HD3 LYS A 42 9.605 -5.284 6.015 1.00 2.15 H new ATOM 0 HE2 LYS A 42 8.605 -4.826 8.044 1.00 2.11 H new ATOM 0 HE3 LYS A 42 7.413 -6.098 7.867 1.00 2.11 H new ATOM 0 HZ1 LYS A 42 8.926 -6.559 9.667 1.00 3.09 H new ATOM 0 HZ2 LYS A 42 9.104 -7.725 8.445 1.00 3.09 H new ATOM 0 HZ3 LYS A 42 10.259 -6.492 8.617 1.00 3.09 H new ATOM 646 N ALA A 43 4.931 -2.768 4.316 1.00 0.43 N ATOM 647 CA ALA A 43 3.910 -1.775 4.076 1.00 0.39 C ATOM 648 C ALA A 43 2.636 -2.137 4.851 1.00 0.41 C ATOM 649 O ALA A 43 2.009 -3.160 4.585 1.00 0.51 O ATOM 650 CB ALA A 43 3.702 -1.732 2.559 1.00 0.44 C ATOM 0 H ALA A 43 4.555 -3.711 4.417 1.00 0.43 H new ATOM 0 HA ALA A 43 4.197 -0.784 4.429 1.00 0.39 H new ATOM 0 HB1 ALA A 43 2.937 -0.994 2.317 1.00 0.44 H new ATOM 0 HB2 ALA A 43 4.637 -1.458 2.071 1.00 0.44 H new ATOM 0 HB3 ALA A 43 3.384 -2.713 2.207 1.00 0.44 H new ATOM 656 N GLU A 44 2.270 -1.305 5.833 1.00 0.49 N ATOM 657 CA GLU A 44 1.202 -1.610 6.787 1.00 0.59 C ATOM 658 C GLU A 44 0.071 -0.633 6.523 1.00 0.54 C ATOM 659 O GLU A 44 0.187 0.506 6.960 1.00 0.83 O ATOM 660 CB GLU A 44 1.754 -1.450 8.220 1.00 0.76 C ATOM 661 CG GLU A 44 0.704 -1.542 9.351 1.00 1.75 C ATOM 662 CD GLU A 44 0.252 -2.958 9.705 1.00 2.32 C ATOM 663 OE1 GLU A 44 1.080 -3.876 9.538 1.00 2.76 O ATOM 664 OE2 GLU A 44 -0.902 -3.089 10.177 1.00 3.42 O ATOM 0 H GLU A 44 2.709 -0.398 5.987 1.00 0.49 H new ATOM 0 HA GLU A 44 0.837 -2.631 6.677 1.00 0.59 H new ATOM 0 HB2 GLU A 44 2.511 -2.217 8.387 1.00 0.76 H new ATOM 0 HB3 GLU A 44 2.256 -0.485 8.292 1.00 0.76 H new ATOM 0 HG2 GLU A 44 1.115 -1.075 10.246 1.00 1.75 H new ATOM 0 HG3 GLU A 44 -0.171 -0.960 9.061 1.00 1.75 H new ATOM 671 N VAL A 45 -0.986 -1.023 5.798 1.00 0.65 N ATOM 672 CA VAL A 45 -2.075 -0.095 5.507 1.00 0.69 C ATOM 673 C VAL A 45 -3.355 -0.563 6.186 1.00 0.68 C ATOM 674 O VAL A 45 -3.447 -1.683 6.686 1.00 0.98 O ATOM 675 CB VAL A 45 -2.224 0.183 3.997 1.00 0.73 C ATOM 676 CG1 VAL A 45 -0.861 0.427 3.352 1.00 2.02 C ATOM 677 CG2 VAL A 45 -2.946 -0.908 3.222 1.00 1.85 C ATOM 0 H VAL A 45 -1.105 -1.959 5.410 1.00 0.65 H new ATOM 0 HA VAL A 45 -1.831 0.878 5.933 1.00 0.69 H new ATOM 0 HB VAL A 45 -2.846 1.076 3.940 1.00 0.73 H new ATOM 0 HG11 VAL A 45 -0.992 0.621 2.287 1.00 2.02 H new ATOM 0 HG12 VAL A 45 -0.385 1.288 3.822 1.00 2.02 H new ATOM 0 HG13 VAL A 45 -0.232 -0.453 3.486 1.00 2.02 H new ATOM 0 HG21 VAL A 45 -3.005 -0.629 2.170 1.00 1.85 H new ATOM 0 HG22 VAL A 45 -2.399 -1.846 3.318 1.00 1.85 H new ATOM 0 HG23 VAL A 45 -3.953 -1.033 3.621 1.00 1.85 H new ATOM 687 N ARG A 46 -4.352 0.317 6.229 1.00 0.45 N ATOM 688 CA ARG A 46 -5.647 0.017 6.807 1.00 0.43 C ATOM 689 C ARG A 46 -6.688 0.453 5.792 1.00 0.37 C ATOM 690 O ARG A 46 -6.630 1.599 5.352 1.00 0.45 O ATOM 691 CB ARG A 46 -5.760 0.733 8.155 1.00 0.50 C ATOM 692 CG ARG A 46 -6.988 0.260 8.939 1.00 0.60 C ATOM 693 CD ARG A 46 -6.972 0.798 10.373 1.00 0.89 C ATOM 694 NE ARG A 46 -5.840 0.235 11.130 1.00 2.70 N ATOM 695 CZ ARG A 46 -5.664 0.328 12.457 1.00 3.52 C ATOM 696 NH1 ARG A 46 -6.552 0.997 13.199 1.00 2.77 N ATOM 697 NH2 ARG A 46 -4.604 -0.254 13.030 1.00 5.51 N ATOM 0 H ARG A 46 -4.277 1.265 5.859 1.00 0.45 H new ATOM 0 HA ARG A 46 -5.794 -1.043 7.013 1.00 0.43 H new ATOM 0 HB2 ARG A 46 -4.860 0.551 8.742 1.00 0.50 H new ATOM 0 HB3 ARG A 46 -5.822 1.809 7.993 1.00 0.50 H new ATOM 0 HG2 ARG A 46 -7.895 0.592 8.434 1.00 0.60 H new ATOM 0 HG3 ARG A 46 -7.013 -0.830 8.957 1.00 0.60 H new ATOM 0 HD2 ARG A 46 -6.900 1.886 10.358 1.00 0.89 H new ATOM 0 HD3 ARG A 46 -7.909 0.548 10.871 1.00 0.89 H new ATOM 0 HE ARG A 46 -5.129 -0.269 10.600 1.00 2.70 H new ATOM 0 HH11 ARG A 46 -7.360 1.435 12.756 1.00 2.77 H new ATOM 0 HH12 ARG A 46 -6.422 1.070 14.208 1.00 2.77 H new ATOM 0 HH21 ARG A 46 -3.933 -0.767 12.458 1.00 5.51 H new ATOM 0 HH22 ARG A 46 -4.467 -0.185 14.038 1.00 5.51 H new ATOM 711 N TYR A 47 -7.573 -0.463 5.392 1.00 0.42 N ATOM 712 CA TYR A 47 -8.474 -0.318 4.257 1.00 0.46 C ATOM 713 C TYR A 47 -9.886 -0.756 4.623 1.00 0.42 C ATOM 714 O TYR A 47 -10.209 -0.888 5.800 1.00 0.45 O ATOM 715 CB TYR A 47 -7.919 -1.096 3.054 1.00 0.51 C ATOM 716 CG TYR A 47 -8.332 -2.555 2.870 1.00 0.52 C ATOM 717 CD1 TYR A 47 -8.277 -3.488 3.925 1.00 1.65 C ATOM 718 CD2 TYR A 47 -8.740 -2.986 1.595 1.00 2.17 C ATOM 719 CE1 TYR A 47 -8.422 -4.864 3.661 1.00 1.55 C ATOM 720 CE2 TYR A 47 -8.922 -4.351 1.342 1.00 2.40 C ATOM 721 CZ TYR A 47 -8.692 -5.298 2.350 1.00 1.02 C ATOM 722 OH TYR A 47 -8.737 -6.616 2.015 1.00 1.42 O ATOM 0 H TYR A 47 -7.682 -1.357 5.870 1.00 0.42 H new ATOM 0 HA TYR A 47 -8.536 0.734 3.978 1.00 0.46 H new ATOM 0 HB2 TYR A 47 -8.204 -0.556 2.151 1.00 0.51 H new ATOM 0 HB3 TYR A 47 -6.831 -1.066 3.114 1.00 0.51 H new ATOM 0 HD1 TYR A 47 -8.123 -3.147 4.938 1.00 1.65 H new ATOM 0 HD2 TYR A 47 -8.913 -2.264 0.811 1.00 2.17 H new ATOM 0 HE1 TYR A 47 -8.326 -5.583 4.461 1.00 1.55 H new ATOM 0 HE2 TYR A 47 -9.242 -4.677 0.363 1.00 2.40 H new ATOM 0 HH TYR A 47 -9.034 -7.140 2.788 1.00 1.42 H new ATOM 732 N ASN A 48 -10.714 -1.043 3.616 1.00 0.54 N ATOM 733 CA ASN A 48 -11.992 -1.710 3.818 1.00 0.73 C ATOM 734 C ASN A 48 -12.309 -2.583 2.607 1.00 0.83 C ATOM 735 O ASN A 48 -12.446 -2.062 1.506 1.00 1.06 O ATOM 736 CB ASN A 48 -13.113 -0.696 4.087 1.00 0.90 C ATOM 737 CG ASN A 48 -13.524 0.159 2.891 1.00 1.97 C ATOM 738 OD1 ASN A 48 -14.439 -0.181 2.139 1.00 3.04 O ATOM 739 ND2 ASN A 48 -12.872 1.300 2.716 1.00 2.99 N ATOM 0 H ASN A 48 -10.514 -0.818 2.642 1.00 0.54 H new ATOM 0 HA ASN A 48 -11.922 -2.347 4.700 1.00 0.73 H new ATOM 0 HB2 ASN A 48 -13.990 -1.236 4.444 1.00 0.90 H new ATOM 0 HB3 ASN A 48 -12.796 -0.034 4.893 1.00 0.90 H new ATOM 0 HD21 ASN A 48 -13.124 1.919 1.945 1.00 2.99 H new ATOM 0 HD22 ASN A 48 -12.118 1.559 3.352 1.00 2.99 H new ATOM 746 N PRO A 49 -12.435 -3.908 2.735 1.00 0.76 N ATOM 747 CA PRO A 49 -12.796 -4.716 1.591 1.00 0.83 C ATOM 748 C PRO A 49 -14.306 -4.643 1.357 1.00 0.91 C ATOM 749 O PRO A 49 -15.022 -5.629 1.499 1.00 1.15 O ATOM 750 CB PRO A 49 -12.271 -6.104 1.922 1.00 0.90 C ATOM 751 CG PRO A 49 -12.401 -6.178 3.445 1.00 0.88 C ATOM 752 CD PRO A 49 -12.159 -4.735 3.899 1.00 0.77 C ATOM 0 HA PRO A 49 -12.364 -4.378 0.649 1.00 0.83 H new ATOM 0 HB2 PRO A 49 -12.855 -6.882 1.431 1.00 0.90 H new ATOM 0 HB3 PRO A 49 -11.237 -6.230 1.600 1.00 0.90 H new ATOM 0 HG2 PRO A 49 -13.387 -6.533 3.746 1.00 0.88 H new ATOM 0 HG3 PRO A 49 -11.670 -6.862 3.877 1.00 0.88 H new ATOM 0 HD2 PRO A 49 -12.812 -4.471 4.731 1.00 0.77 H new ATOM 0 HD3 PRO A 49 -11.134 -4.599 4.243 1.00 0.77 H new ATOM 760 N ALA A 50 -14.778 -3.450 0.988 1.00 0.78 N ATOM 761 CA ALA A 50 -16.156 -3.197 0.608 1.00 0.93 C ATOM 762 C ALA A 50 -16.155 -2.285 -0.617 1.00 0.96 C ATOM 763 O ALA A 50 -16.470 -2.739 -1.714 1.00 1.40 O ATOM 764 CB ALA A 50 -16.931 -2.616 1.799 1.00 1.04 C ATOM 0 H ALA A 50 -14.191 -2.617 0.947 1.00 0.78 H new ATOM 0 HA ALA A 50 -16.669 -4.120 0.337 1.00 0.93 H new ATOM 0 HB1 ALA A 50 -17.964 -2.429 1.505 1.00 1.04 H new ATOM 0 HB2 ALA A 50 -16.912 -3.325 2.626 1.00 1.04 H new ATOM 0 HB3 ALA A 50 -16.468 -1.680 2.113 1.00 1.04 H new ATOM 770 N VAL A 51 -15.775 -1.016 -0.446 1.00 0.67 N ATOM 771 CA VAL A 51 -15.837 -0.037 -1.526 1.00 0.77 C ATOM 772 C VAL A 51 -14.529 -0.026 -2.320 1.00 0.75 C ATOM 773 O VAL A 51 -14.538 -0.066 -3.546 1.00 1.10 O ATOM 774 CB VAL A 51 -16.176 1.342 -0.938 1.00 0.88 C ATOM 775 CG1 VAL A 51 -16.125 2.436 -2.015 1.00 1.09 C ATOM 776 CG2 VAL A 51 -17.584 1.320 -0.330 1.00 1.22 C ATOM 0 H VAL A 51 -15.420 -0.645 0.435 1.00 0.67 H new ATOM 0 HA VAL A 51 -16.625 -0.309 -2.229 1.00 0.77 H new ATOM 0 HB VAL A 51 -15.435 1.565 -0.171 1.00 0.88 H new ATOM 0 HG11 VAL A 51 -16.370 3.399 -1.567 1.00 1.09 H new ATOM 0 HG12 VAL A 51 -15.124 2.479 -2.443 1.00 1.09 H new ATOM 0 HG13 VAL A 51 -16.846 2.208 -2.800 1.00 1.09 H new ATOM 0 HG21 VAL A 51 -17.817 2.301 0.085 1.00 1.22 H new ATOM 0 HG22 VAL A 51 -18.311 1.071 -1.104 1.00 1.22 H new ATOM 0 HG23 VAL A 51 -17.627 0.572 0.462 1.00 1.22 H new ATOM 786 N ILE A 52 -13.403 0.052 -1.609 1.00 0.53 N ATOM 787 CA ILE A 52 -12.089 0.264 -2.213 1.00 0.67 C ATOM 788 C ILE A 52 -11.639 -0.991 -2.957 1.00 0.79 C ATOM 789 O ILE A 52 -11.191 -0.892 -4.092 1.00 1.22 O ATOM 790 CB ILE A 52 -11.071 0.788 -1.180 1.00 0.69 C ATOM 791 CG1 ILE A 52 -9.639 0.833 -1.729 1.00 0.95 C ATOM 792 CG2 ILE A 52 -11.119 0.041 0.158 1.00 0.67 C ATOM 793 CD1 ILE A 52 -8.672 1.205 -0.609 1.00 1.38 C ATOM 0 H ILE A 52 -13.378 -0.031 -0.593 1.00 0.53 H new ATOM 0 HA ILE A 52 -12.159 1.053 -2.962 1.00 0.67 H new ATOM 0 HB ILE A 52 -11.382 1.814 -0.981 1.00 0.69 H new ATOM 0 HG12 ILE A 52 -9.369 -0.136 -2.149 1.00 0.95 H new ATOM 0 HG13 ILE A 52 -9.572 1.561 -2.538 1.00 0.95 H new ATOM 0 HG21 ILE A 52 -10.377 0.462 0.836 1.00 0.67 H new ATOM 0 HG22 ILE A 52 -12.111 0.144 0.597 1.00 0.67 H new ATOM 0 HG23 ILE A 52 -10.903 -1.015 -0.007 1.00 0.67 H new ATOM 0 HD11 ILE A 52 -7.656 1.236 -1.001 1.00 1.38 H new ATOM 0 HD12 ILE A 52 -8.937 2.184 -0.210 1.00 1.38 H new ATOM 0 HD13 ILE A 52 -8.732 0.461 0.185 1.00 1.38 H new ATOM 805 N GLN A 53 -11.800 -2.154 -2.320 1.00 0.59 N ATOM 806 CA GLN A 53 -11.628 -3.494 -2.872 1.00 0.62 C ATOM 807 C GLN A 53 -10.163 -3.979 -2.839 1.00 0.56 C ATOM 808 O GLN A 53 -9.269 -3.310 -3.366 1.00 0.53 O ATOM 809 CB GLN A 53 -12.228 -3.634 -4.279 1.00 0.71 C ATOM 810 CG GLN A 53 -13.665 -3.099 -4.402 1.00 1.73 C ATOM 811 CD GLN A 53 -14.590 -4.129 -5.038 1.00 2.25 C ATOM 812 OE1 GLN A 53 -14.969 -4.016 -6.198 1.00 3.37 O ATOM 813 NE2 GLN A 53 -14.944 -5.165 -4.282 1.00 2.20 N ATOM 0 H GLN A 53 -12.073 -2.182 -1.338 1.00 0.59 H new ATOM 0 HA GLN A 53 -12.193 -4.151 -2.210 1.00 0.62 H new ATOM 0 HB2 GLN A 53 -11.592 -3.104 -4.988 1.00 0.71 H new ATOM 0 HB3 GLN A 53 -12.217 -4.686 -4.565 1.00 0.71 H new ATOM 0 HG2 GLN A 53 -14.041 -2.831 -3.414 1.00 1.73 H new ATOM 0 HG3 GLN A 53 -13.666 -2.188 -5.001 1.00 1.73 H new ATOM 0 HE21 GLN A 53 -14.612 -5.231 -3.320 1.00 2.20 H new ATOM 0 HE22 GLN A 53 -15.547 -5.893 -4.665 1.00 2.20 H new ATOM 822 N PRO A 54 -9.894 -5.169 -2.263 1.00 0.66 N ATOM 823 CA PRO A 54 -8.553 -5.735 -2.199 1.00 0.77 C ATOM 824 C PRO A 54 -7.834 -5.800 -3.555 1.00 0.80 C ATOM 825 O PRO A 54 -6.700 -5.326 -3.643 1.00 0.88 O ATOM 826 CB PRO A 54 -8.663 -7.096 -1.500 1.00 1.00 C ATOM 827 CG PRO A 54 -10.158 -7.376 -1.334 1.00 0.94 C ATOM 828 CD PRO A 54 -10.865 -6.055 -1.632 1.00 0.77 C ATOM 0 HA PRO A 54 -7.910 -5.071 -1.621 1.00 0.77 H new ATOM 0 HB2 PRO A 54 -8.185 -7.876 -2.092 1.00 1.00 H new ATOM 0 HB3 PRO A 54 -8.161 -7.077 -0.532 1.00 1.00 H new ATOM 0 HG2 PRO A 54 -10.487 -8.159 -2.018 1.00 0.94 H new ATOM 0 HG3 PRO A 54 -10.382 -7.720 -0.324 1.00 0.94 H new ATOM 0 HD2 PRO A 54 -11.719 -6.217 -2.289 1.00 0.77 H new ATOM 0 HD3 PRO A 54 -11.249 -5.611 -0.714 1.00 0.77 H new ATOM 836 N PRO A 55 -8.447 -6.347 -4.624 1.00 0.81 N ATOM 837 CA PRO A 55 -7.783 -6.426 -5.915 1.00 0.90 C ATOM 838 C PRO A 55 -7.607 -5.056 -6.585 1.00 0.97 C ATOM 839 O PRO A 55 -7.001 -5.001 -7.649 1.00 1.56 O ATOM 840 CB PRO A 55 -8.635 -7.379 -6.762 1.00 0.91 C ATOM 841 CG PRO A 55 -10.034 -7.204 -6.181 1.00 0.86 C ATOM 842 CD PRO A 55 -9.748 -7.003 -4.695 1.00 0.81 C ATOM 0 HA PRO A 55 -6.764 -6.795 -5.801 1.00 0.90 H new ATOM 0 HB2 PRO A 55 -8.602 -7.117 -7.819 1.00 0.91 H new ATOM 0 HB3 PRO A 55 -8.290 -8.410 -6.679 1.00 0.91 H new ATOM 0 HG2 PRO A 55 -10.550 -6.348 -6.615 1.00 0.86 H new ATOM 0 HG3 PRO A 55 -10.661 -8.078 -6.360 1.00 0.86 H new ATOM 0 HD2 PRO A 55 -10.520 -6.391 -4.228 1.00 0.81 H new ATOM 0 HD3 PRO A 55 -9.734 -7.957 -4.167 1.00 0.81 H new ATOM 850 N MET A 56 -8.108 -3.956 -6.004 1.00 0.61 N ATOM 851 CA MET A 56 -7.816 -2.621 -6.510 1.00 0.57 C ATOM 852 C MET A 56 -6.634 -2.025 -5.743 1.00 0.50 C ATOM 853 O MET A 56 -5.716 -1.510 -6.381 1.00 0.54 O ATOM 854 CB MET A 56 -9.061 -1.739 -6.457 1.00 0.67 C ATOM 855 CG MET A 56 -10.172 -2.279 -7.367 1.00 1.18 C ATOM 856 SD MET A 56 -11.678 -1.269 -7.398 1.00 2.13 S ATOM 857 CE MET A 56 -12.709 -2.255 -8.502 1.00 3.28 C ATOM 0 H MET A 56 -8.716 -3.972 -5.185 1.00 0.61 H new ATOM 0 HA MET A 56 -7.527 -2.682 -7.559 1.00 0.57 H new ATOM 0 HB2 MET A 56 -9.425 -1.683 -5.431 1.00 0.67 H new ATOM 0 HB3 MET A 56 -8.802 -0.724 -6.760 1.00 0.67 H new ATOM 0 HG2 MET A 56 -9.784 -2.361 -8.382 1.00 1.18 H new ATOM 0 HG3 MET A 56 -10.432 -3.286 -7.042 1.00 1.18 H new ATOM 0 HE1 MET A 56 -13.677 -1.769 -8.627 1.00 3.28 H new ATOM 0 HE2 MET A 56 -12.220 -2.345 -9.472 1.00 3.28 H new ATOM 0 HE3 MET A 56 -12.854 -3.247 -8.075 1.00 3.28 H new ATOM 867 N ILE A 57 -6.625 -2.112 -4.400 1.00 0.50 N ATOM 868 CA ILE A 57 -5.458 -1.738 -3.591 1.00 0.62 C ATOM 869 C ILE A 57 -4.143 -2.211 -4.224 1.00 0.58 C ATOM 870 O ILE A 57 -3.238 -1.399 -4.420 1.00 0.64 O ATOM 871 CB ILE A 57 -5.612 -2.209 -2.121 1.00 0.89 C ATOM 872 CG1 ILE A 57 -6.305 -1.099 -1.308 1.00 1.14 C ATOM 873 CG2 ILE A 57 -4.292 -2.596 -1.431 1.00 2.46 C ATOM 874 CD1 ILE A 57 -6.072 -1.179 0.204 1.00 1.49 C ATOM 0 H ILE A 57 -7.420 -2.441 -3.852 1.00 0.50 H new ATOM 0 HA ILE A 57 -5.412 -0.649 -3.571 1.00 0.62 H new ATOM 0 HB ILE A 57 -6.210 -3.120 -2.155 1.00 0.89 H new ATOM 0 HG12 ILE A 57 -5.954 -0.131 -1.666 1.00 1.14 H new ATOM 0 HG13 ILE A 57 -7.377 -1.141 -1.500 1.00 1.14 H new ATOM 0 HG21 ILE A 57 -4.495 -2.912 -0.408 1.00 2.46 H new ATOM 0 HG22 ILE A 57 -3.822 -3.414 -1.977 1.00 2.46 H new ATOM 0 HG23 ILE A 57 -3.622 -1.736 -1.419 1.00 2.46 H new ATOM 0 HD11 ILE A 57 -6.596 -0.360 0.697 1.00 1.49 H new ATOM 0 HD12 ILE A 57 -6.449 -2.130 0.580 1.00 1.49 H new ATOM 0 HD13 ILE A 57 -5.005 -1.104 0.412 1.00 1.49 H new ATOM 886 N ALA A 58 -4.022 -3.512 -4.528 1.00 0.61 N ATOM 887 CA ALA A 58 -2.827 -4.035 -5.180 1.00 0.66 C ATOM 888 C ALA A 58 -2.494 -3.207 -6.418 1.00 0.54 C ATOM 889 O ALA A 58 -1.505 -2.484 -6.412 1.00 0.50 O ATOM 890 CB ALA A 58 -2.984 -5.518 -5.513 1.00 0.86 C ATOM 0 H ALA A 58 -4.737 -4.213 -4.331 1.00 0.61 H new ATOM 0 HA ALA A 58 -1.989 -3.952 -4.487 1.00 0.66 H new ATOM 0 HB1 ALA A 58 -2.078 -5.880 -5.998 1.00 0.86 H new ATOM 0 HB2 ALA A 58 -3.154 -6.081 -4.595 1.00 0.86 H new ATOM 0 HB3 ALA A 58 -3.833 -5.652 -6.183 1.00 0.86 H new ATOM 896 N GLU A 59 -3.308 -3.291 -7.465 1.00 0.66 N ATOM 897 CA GLU A 59 -3.180 -2.539 -8.697 1.00 0.64 C ATOM 898 C GLU A 59 -2.746 -1.090 -8.455 1.00 0.59 C ATOM 899 O GLU A 59 -1.695 -0.700 -8.950 1.00 0.67 O ATOM 900 CB GLU A 59 -4.499 -2.638 -9.464 1.00 0.68 C ATOM 901 CG GLU A 59 -4.536 -3.816 -10.463 1.00 1.26 C ATOM 902 CD GLU A 59 -4.472 -5.236 -9.889 1.00 1.32 C ATOM 903 OE1 GLU A 59 -3.990 -5.413 -8.749 1.00 3.18 O ATOM 904 OE2 GLU A 59 -4.853 -6.150 -10.651 1.00 1.76 O ATOM 0 H GLU A 59 -4.113 -3.918 -7.472 1.00 0.66 H new ATOM 0 HA GLU A 59 -2.383 -2.971 -9.302 1.00 0.64 H new ATOM 0 HB2 GLU A 59 -5.318 -2.747 -8.753 1.00 0.68 H new ATOM 0 HB3 GLU A 59 -4.668 -1.707 -10.004 1.00 0.68 H new ATOM 0 HG2 GLU A 59 -5.452 -3.731 -11.048 1.00 1.26 H new ATOM 0 HG3 GLU A 59 -3.703 -3.696 -11.155 1.00 1.26 H new ATOM 911 N PHE A 60 -3.500 -0.314 -7.669 1.00 0.55 N ATOM 912 CA PHE A 60 -3.146 1.035 -7.253 1.00 0.57 C ATOM 913 C PHE A 60 -1.683 1.186 -6.836 1.00 0.61 C ATOM 914 O PHE A 60 -1.031 2.174 -7.161 1.00 0.80 O ATOM 915 CB PHE A 60 -4.061 1.421 -6.083 1.00 0.54 C ATOM 916 CG PHE A 60 -4.411 2.879 -6.097 1.00 0.70 C ATOM 917 CD1 PHE A 60 -5.399 3.319 -6.987 1.00 1.46 C ATOM 918 CD2 PHE A 60 -3.745 3.793 -5.266 1.00 2.30 C ATOM 919 CE1 PHE A 60 -5.740 4.674 -7.037 1.00 1.38 C ATOM 920 CE2 PHE A 60 -4.112 5.147 -5.290 1.00 2.58 C ATOM 921 CZ PHE A 60 -5.107 5.593 -6.180 1.00 1.27 C ATOM 0 H PHE A 60 -4.398 -0.622 -7.297 1.00 0.55 H new ATOM 0 HA PHE A 60 -3.280 1.695 -8.110 1.00 0.57 H new ATOM 0 HB2 PHE A 60 -4.975 0.829 -6.128 1.00 0.54 H new ATOM 0 HB3 PHE A 60 -3.568 1.176 -5.142 1.00 0.54 H new ATOM 0 HD1 PHE A 60 -5.897 2.612 -7.634 1.00 1.46 H new ATOM 0 HD2 PHE A 60 -2.955 3.456 -4.612 1.00 2.30 H new ATOM 0 HE1 PHE A 60 -6.490 5.016 -7.734 1.00 1.38 H new ATOM 0 HE2 PHE A 60 -3.630 5.848 -4.625 1.00 2.58 H new ATOM 0 HZ PHE A 60 -5.384 6.637 -6.205 1.00 1.27 H new ATOM 931 N ILE A 61 -1.162 0.220 -6.083 1.00 0.51 N ATOM 932 CA ILE A 61 0.250 0.195 -5.722 1.00 0.54 C ATOM 933 C ILE A 61 1.078 -0.200 -6.950 1.00 0.54 C ATOM 934 O ILE A 61 2.076 0.439 -7.286 1.00 0.56 O ATOM 935 CB ILE A 61 0.449 -0.711 -4.490 1.00 0.54 C ATOM 936 CG1 ILE A 61 -0.291 -0.102 -3.280 1.00 0.57 C ATOM 937 CG2 ILE A 61 1.939 -0.893 -4.176 1.00 0.65 C ATOM 938 CD1 ILE A 61 -0.470 -1.104 -2.137 1.00 0.72 C ATOM 0 H ILE A 61 -1.703 -0.560 -5.710 1.00 0.51 H new ATOM 0 HA ILE A 61 0.607 1.181 -5.424 1.00 0.54 H new ATOM 0 HB ILE A 61 0.035 -1.696 -4.706 1.00 0.54 H new ATOM 0 HG12 ILE A 61 0.264 0.763 -2.917 1.00 0.57 H new ATOM 0 HG13 ILE A 61 -1.269 0.258 -3.600 1.00 0.57 H new ATOM 0 HG21 ILE A 61 2.051 -1.536 -3.303 1.00 0.65 H new ATOM 0 HG22 ILE A 61 2.438 -1.351 -5.030 1.00 0.65 H new ATOM 0 HG23 ILE A 61 2.389 0.078 -3.971 1.00 0.65 H new ATOM 0 HD11 ILE A 61 -0.996 -0.624 -1.312 1.00 0.72 H new ATOM 0 HD12 ILE A 61 -1.049 -1.958 -2.489 1.00 0.72 H new ATOM 0 HD13 ILE A 61 0.507 -1.445 -1.795 1.00 0.72 H new ATOM 950 N ARG A 62 0.668 -1.261 -7.642 1.00 0.57 N ATOM 951 CA ARG A 62 1.390 -1.784 -8.788 1.00 0.65 C ATOM 952 C ARG A 62 1.421 -0.819 -9.978 1.00 0.68 C ATOM 953 O ARG A 62 2.183 -1.076 -10.905 1.00 0.76 O ATOM 954 CB ARG A 62 0.812 -3.121 -9.268 1.00 0.68 C ATOM 955 CG ARG A 62 0.747 -4.227 -8.209 1.00 0.67 C ATOM 956 CD ARG A 62 -0.042 -5.444 -8.721 1.00 0.98 C ATOM 957 NE ARG A 62 0.771 -6.288 -9.614 1.00 1.09 N ATOM 958 CZ ARG A 62 0.904 -6.163 -10.944 1.00 2.05 C ATOM 959 NH1 ARG A 62 0.199 -5.249 -11.620 1.00 3.33 N ATOM 960 NH2 ARG A 62 1.760 -6.960 -11.595 1.00 2.38 N ATOM 0 H ARG A 62 -0.180 -1.781 -7.418 1.00 0.57 H new ATOM 0 HA ARG A 62 2.410 -1.925 -8.429 1.00 0.65 H new ATOM 0 HB2 ARG A 62 -0.194 -2.947 -9.649 1.00 0.68 H new ATOM 0 HB3 ARG A 62 1.412 -3.478 -10.105 1.00 0.68 H new ATOM 0 HG2 ARG A 62 1.757 -4.534 -7.938 1.00 0.67 H new ATOM 0 HG3 ARG A 62 0.277 -3.840 -7.305 1.00 0.67 H new ATOM 0 HD2 ARG A 62 -0.385 -6.037 -7.873 1.00 0.98 H new ATOM 0 HD3 ARG A 62 -0.931 -5.103 -9.252 1.00 0.98 H new ATOM 0 HE ARG A 62 1.288 -7.049 -9.174 1.00 1.09 H new ATOM 0 HH11 ARG A 62 -0.449 -4.636 -11.125 1.00 3.33 H new ATOM 0 HH12 ARG A 62 0.310 -5.165 -12.630 1.00 3.33 H new ATOM 0 HH21 ARG A 62 2.303 -7.653 -11.081 1.00 2.38 H new ATOM 0 HH22 ARG A 62 1.869 -6.874 -12.605 1.00 2.38 H new ATOM 974 N GLU A 63 0.659 0.280 -9.955 1.00 0.67 N ATOM 975 CA GLU A 63 0.821 1.432 -10.842 1.00 0.78 C ATOM 976 C GLU A 63 2.305 1.770 -11.080 1.00 0.84 C ATOM 977 O GLU A 63 2.681 2.227 -12.156 1.00 0.88 O ATOM 978 CB GLU A 63 0.078 2.629 -10.223 1.00 0.95 C ATOM 979 CG GLU A 63 -1.448 2.498 -10.299 1.00 1.68 C ATOM 980 CD GLU A 63 -1.969 2.703 -11.716 1.00 2.86 C ATOM 981 OE1 GLU A 63 -1.995 3.878 -12.140 1.00 3.75 O ATOM 982 OE2 GLU A 63 -2.315 1.683 -12.350 1.00 3.81 O ATOM 0 H GLU A 63 -0.112 0.393 -9.296 1.00 0.67 H new ATOM 0 HA GLU A 63 0.399 1.192 -11.818 1.00 0.78 H new ATOM 0 HB2 GLU A 63 0.376 2.733 -9.180 1.00 0.95 H new ATOM 0 HB3 GLU A 63 0.384 3.542 -10.734 1.00 0.95 H new ATOM 0 HG2 GLU A 63 -1.745 1.512 -9.943 1.00 1.68 H new ATOM 0 HG3 GLU A 63 -1.908 3.229 -9.634 1.00 1.68 H new ATOM 989 N LEU A 64 3.160 1.523 -10.081 1.00 0.88 N ATOM 990 CA LEU A 64 4.592 1.810 -10.140 1.00 0.98 C ATOM 991 C LEU A 64 5.372 0.710 -10.869 1.00 0.89 C ATOM 992 O LEU A 64 6.469 0.956 -11.364 1.00 0.92 O ATOM 993 CB LEU A 64 5.130 1.870 -8.709 1.00 1.23 C ATOM 994 CG LEU A 64 4.360 2.841 -7.807 1.00 1.10 C ATOM 995 CD1 LEU A 64 4.435 2.326 -6.373 1.00 1.35 C ATOM 996 CD2 LEU A 64 4.921 4.263 -7.923 1.00 1.57 C ATOM 0 H LEU A 64 2.868 1.111 -9.195 1.00 0.88 H new ATOM 0 HA LEU A 64 4.720 2.750 -10.677 1.00 0.98 H new ATOM 0 HB2 LEU A 64 5.091 0.872 -8.272 1.00 1.23 H new ATOM 0 HB3 LEU A 64 6.179 2.165 -8.736 1.00 1.23 H new ATOM 0 HG LEU A 64 3.317 2.890 -8.121 1.00 1.10 H new ATOM 0 HD11 LEU A 64 3.892 3.004 -5.714 1.00 1.35 H new ATOM 0 HD12 LEU A 64 3.989 1.333 -6.319 1.00 1.35 H new ATOM 0 HD13 LEU A 64 5.478 2.273 -6.060 1.00 1.35 H new ATOM 0 HD21 LEU A 64 4.356 4.931 -7.273 1.00 1.57 H new ATOM 0 HD22 LEU A 64 5.969 4.266 -7.624 1.00 1.57 H new ATOM 0 HD23 LEU A 64 4.837 4.604 -8.955 1.00 1.57 H new ATOM 1008 N GLY A 65 4.848 -0.518 -10.866 1.00 0.90 N ATOM 1009 CA GLY A 65 5.479 -1.686 -11.464 1.00 0.87 C ATOM 1010 C GLY A 65 6.459 -2.358 -10.501 1.00 0.88 C ATOM 1011 O GLY A 65 7.571 -2.702 -10.892 1.00 0.88 O ATOM 0 H GLY A 65 3.948 -0.728 -10.434 1.00 0.90 H new ATOM 0 HA2 GLY A 65 4.712 -2.402 -11.760 1.00 0.87 H new ATOM 0 HA3 GLY A 65 6.006 -1.390 -12.371 1.00 0.87 H new ATOM 1015 N PHE A 66 6.036 -2.565 -9.249 1.00 1.07 N ATOM 1016 CA PHE A 66 6.809 -3.249 -8.212 1.00 1.13 C ATOM 1017 C PHE A 66 6.112 -4.547 -7.800 1.00 1.00 C ATOM 1018 O PHE A 66 4.907 -4.710 -8.002 1.00 0.90 O ATOM 1019 CB PHE A 66 7.012 -2.325 -7.003 1.00 1.20 C ATOM 1020 CG PHE A 66 8.148 -1.336 -7.179 1.00 1.39 C ATOM 1021 CD1 PHE A 66 8.040 -0.305 -8.128 1.00 2.07 C ATOM 1022 CD2 PHE A 66 9.364 -1.524 -6.492 1.00 2.81 C ATOM 1023 CE1 PHE A 66 9.139 0.522 -8.406 1.00 2.57 C ATOM 1024 CE2 PHE A 66 10.470 -0.705 -6.779 1.00 3.13 C ATOM 1025 CZ PHE A 66 10.357 0.321 -7.735 1.00 2.48 C ATOM 0 H PHE A 66 5.122 -2.252 -8.923 1.00 1.07 H new ATOM 0 HA PHE A 66 7.790 -3.503 -8.613 1.00 1.13 H new ATOM 0 HB2 PHE A 66 6.089 -1.776 -6.817 1.00 1.20 H new ATOM 0 HB3 PHE A 66 7.205 -2.934 -6.119 1.00 1.20 H new ATOM 0 HD1 PHE A 66 7.106 -0.148 -8.646 1.00 2.07 H new ATOM 0 HD2 PHE A 66 9.446 -2.298 -5.744 1.00 2.81 H new ATOM 0 HE1 PHE A 66 9.049 1.313 -9.136 1.00 2.57 H new ATOM 0 HE2 PHE A 66 11.407 -0.863 -6.265 1.00 3.13 H new ATOM 0 HZ PHE A 66 11.205 0.953 -7.953 1.00 2.48 H new ATOM 1035 N GLY A 67 6.867 -5.467 -7.189 1.00 1.07 N ATOM 1036 CA GLY A 67 6.381 -6.797 -6.859 1.00 1.04 C ATOM 1037 C GLY A 67 5.601 -6.756 -5.551 1.00 0.98 C ATOM 1038 O GLY A 67 6.042 -7.302 -4.543 1.00 1.16 O ATOM 0 H GLY A 67 7.835 -5.302 -6.912 1.00 1.07 H new ATOM 0 HA2 GLY A 67 5.744 -7.170 -7.661 1.00 1.04 H new ATOM 0 HA3 GLY A 67 7.219 -7.488 -6.771 1.00 1.04 H new ATOM 1042 N ALA A 68 4.441 -6.099 -5.576 1.00 0.79 N ATOM 1043 CA ALA A 68 3.604 -5.944 -4.397 1.00 0.64 C ATOM 1044 C ALA A 68 2.788 -7.217 -4.178 1.00 0.63 C ATOM 1045 O ALA A 68 2.467 -7.926 -5.132 1.00 0.73 O ATOM 1046 CB ALA A 68 2.691 -4.728 -4.569 1.00 0.57 C ATOM 0 H ALA A 68 4.060 -5.662 -6.415 1.00 0.79 H new ATOM 0 HA ALA A 68 4.229 -5.781 -3.519 1.00 0.64 H new ATOM 0 HB1 ALA A 68 2.065 -4.615 -3.684 1.00 0.57 H new ATOM 0 HB2 ALA A 68 3.298 -3.833 -4.701 1.00 0.57 H new ATOM 0 HB3 ALA A 68 2.058 -4.869 -5.445 1.00 0.57 H new ATOM 1052 N THR A 69 2.464 -7.513 -2.919 1.00 0.58 N ATOM 1053 CA THR A 69 1.766 -8.708 -2.495 1.00 0.63 C ATOM 1054 C THR A 69 0.835 -8.251 -1.379 1.00 0.59 C ATOM 1055 O THR A 69 1.292 -7.853 -0.308 1.00 0.69 O ATOM 1056 CB THR A 69 2.756 -9.795 -2.041 1.00 0.84 C ATOM 1057 OG1 THR A 69 3.682 -9.317 -1.090 1.00 2.14 O ATOM 1058 CG2 THR A 69 3.556 -10.362 -3.216 1.00 1.87 C ATOM 0 H THR A 69 2.694 -6.895 -2.141 1.00 0.58 H new ATOM 0 HA THR A 69 1.200 -9.170 -3.304 1.00 0.63 H new ATOM 0 HB THR A 69 2.138 -10.573 -1.593 1.00 0.84 H new ATOM 0 HG1 THR A 69 3.928 -8.394 -1.308 1.00 2.14 H new ATOM 0 HG21 THR A 69 4.243 -11.126 -2.853 1.00 1.87 H new ATOM 0 HG22 THR A 69 2.873 -10.803 -3.942 1.00 1.87 H new ATOM 0 HG23 THR A 69 4.122 -9.561 -3.691 1.00 1.87 H new ATOM 1066 N VAL A 70 -0.460 -8.212 -1.685 1.00 0.60 N ATOM 1067 CA VAL A 70 -1.505 -7.763 -0.791 1.00 0.64 C ATOM 1068 C VAL A 70 -2.015 -8.973 -0.011 1.00 0.73 C ATOM 1069 O VAL A 70 -2.528 -9.925 -0.593 1.00 0.97 O ATOM 1070 CB VAL A 70 -2.564 -7.019 -1.619 1.00 0.63 C ATOM 1071 CG1 VAL A 70 -3.362 -7.903 -2.592 1.00 0.65 C ATOM 1072 CG2 VAL A 70 -3.586 -6.310 -0.724 1.00 0.76 C ATOM 0 H VAL A 70 -0.815 -8.504 -2.596 1.00 0.60 H new ATOM 0 HA VAL A 70 -1.157 -7.049 -0.045 1.00 0.64 H new ATOM 0 HB VAL A 70 -1.974 -6.311 -2.201 1.00 0.63 H new ATOM 0 HG11 VAL A 70 -4.084 -7.290 -3.131 1.00 0.65 H new ATOM 0 HG12 VAL A 70 -2.680 -8.370 -3.303 1.00 0.65 H new ATOM 0 HG13 VAL A 70 -3.888 -8.677 -2.033 1.00 0.65 H new ATOM 0 HG21 VAL A 70 -4.319 -5.795 -1.346 1.00 0.76 H new ATOM 0 HG22 VAL A 70 -4.093 -7.044 -0.098 1.00 0.76 H new ATOM 0 HG23 VAL A 70 -3.074 -5.585 -0.091 1.00 0.76 H new ATOM 1082 N ILE A 71 -1.815 -8.961 1.304 1.00 0.61 N ATOM 1083 CA ILE A 71 -2.245 -10.008 2.208 1.00 0.76 C ATOM 1084 C ILE A 71 -3.413 -9.447 3.018 1.00 0.99 C ATOM 1085 O ILE A 71 -3.270 -8.478 3.768 1.00 0.77 O ATOM 1086 CB ILE A 71 -1.057 -10.487 3.059 1.00 1.11 C ATOM 1087 CG1 ILE A 71 -0.044 -11.207 2.149 1.00 1.51 C ATOM 1088 CG2 ILE A 71 -1.532 -11.403 4.196 1.00 3.18 C ATOM 1089 CD1 ILE A 71 1.326 -11.382 2.809 1.00 1.76 C ATOM 0 H ILE A 71 -1.334 -8.197 1.778 1.00 0.61 H new ATOM 0 HA ILE A 71 -2.593 -10.897 1.683 1.00 0.76 H new ATOM 0 HB ILE A 71 -0.572 -9.627 3.520 1.00 1.11 H new ATOM 0 HG12 ILE A 71 -0.439 -12.186 1.877 1.00 1.51 H new ATOM 0 HG13 ILE A 71 0.073 -10.642 1.224 1.00 1.51 H new ATOM 0 HG21 ILE A 71 -0.674 -11.729 4.784 1.00 3.18 H new ATOM 0 HG22 ILE A 71 -2.225 -10.858 4.837 1.00 3.18 H new ATOM 0 HG23 ILE A 71 -2.035 -12.274 3.776 1.00 3.18 H new ATOM 0 HD11 ILE A 71 1.998 -11.895 2.121 1.00 1.76 H new ATOM 0 HD12 ILE A 71 1.738 -10.404 3.057 1.00 1.76 H new ATOM 0 HD13 ILE A 71 1.219 -11.972 3.719 1.00 1.76 H new