USER MOD reduce.3.24.130724 H: found=0, std=0, add=520, rem=0, adj=13 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 20 ASN : amide:sc= 0.304 X(o=0.48,f=0.042) USER MOD Set 1.2: A 24 ASN : amide:sc= 0.18 X(o=0.48,f=0.042) USER MOD Single : A 2 SER OG : rot -38:sc= 0.313 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 110:sc= -0.11 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 CYS SG : rot 66:sc= -0.0663 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+ -130:sc= 0.848 (180deg=0.0618) USER MOD Single : A 47 TYR OH : rot 30:sc= -0.0224 USER MOD Single : A 48 ASN : amide:sc= -0.756 K(o=-0.76,f=-2.7) USER MOD Single : A 53 GLN : amide:sc= -0.142 X(o=-0.14,f=-0.14) USER MOD Single : A 56 MET CE :methyl -170:sc= 0 (180deg=-0.0787) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 17 N SER A 2 -13.895 -1.333 8.133 1.00 1.47 N ATOM 18 CA SER A 2 -12.476 -1.404 7.892 1.00 0.97 C ATOM 19 C SER A 2 -11.847 -2.582 8.642 1.00 0.90 C ATOM 20 O SER A 2 -12.375 -2.984 9.687 1.00 1.45 O ATOM 21 CB SER A 2 -11.835 -0.084 8.313 1.00 1.33 C ATOM 22 OG SER A 2 -12.304 0.288 9.600 1.00 1.97 O ATOM 0 HA SER A 2 -12.300 -1.569 6.829 1.00 0.97 H new ATOM 0 HB2 SER A 2 -10.750 -0.184 8.326 1.00 1.33 H new ATOM 0 HB3 SER A 2 -12.075 0.695 7.589 1.00 1.33 H new ATOM 0 HG SER A 2 -13.253 0.056 9.682 1.00 1.97 H new ATOM 28 N SER A 3 -10.724 -3.063 8.111 1.00 0.68 N ATOM 29 CA SER A 3 -9.836 -4.075 8.661 1.00 0.74 C ATOM 30 C SER A 3 -8.400 -3.574 8.454 1.00 0.75 C ATOM 31 O SER A 3 -8.191 -2.564 7.770 1.00 0.75 O ATOM 32 CB SER A 3 -10.077 -5.402 7.928 1.00 0.86 C ATOM 33 OG SER A 3 -10.083 -5.199 6.525 1.00 1.83 O ATOM 0 H SER A 3 -10.388 -2.724 7.210 1.00 0.68 H new ATOM 0 HA SER A 3 -10.016 -4.244 9.723 1.00 0.74 H new ATOM 0 HB2 SER A 3 -9.300 -6.118 8.195 1.00 0.86 H new ATOM 0 HB3 SER A 3 -11.028 -5.831 8.244 1.00 0.86 H new ATOM 0 HG SER A 3 -10.236 -6.054 6.071 1.00 1.83 H new ATOM 39 N LYS A 4 -7.399 -4.269 9.006 1.00 0.85 N ATOM 40 CA LYS A 4 -6.007 -3.914 8.747 1.00 0.94 C ATOM 41 C LYS A 4 -5.636 -4.455 7.372 1.00 0.79 C ATOM 42 O LYS A 4 -6.074 -5.539 6.996 1.00 0.93 O ATOM 43 CB LYS A 4 -5.055 -4.498 9.803 1.00 1.13 C ATOM 44 CG LYS A 4 -4.769 -3.508 10.942 1.00 1.62 C ATOM 45 CD LYS A 4 -3.682 -4.043 11.893 1.00 1.90 C ATOM 46 CE LYS A 4 -2.238 -3.937 11.360 1.00 2.62 C ATOM 47 NZ LYS A 4 -1.713 -2.552 11.355 1.00 2.89 N ATOM 0 H LYS A 4 -7.528 -5.069 9.626 1.00 0.85 H new ATOM 0 HA LYS A 4 -5.906 -2.829 8.789 1.00 0.94 H new ATOM 0 HB2 LYS A 4 -5.489 -5.408 10.216 1.00 1.13 H new ATOM 0 HB3 LYS A 4 -4.116 -4.781 9.326 1.00 1.13 H new ATOM 0 HG2 LYS A 4 -4.451 -2.553 10.524 1.00 1.62 H new ATOM 0 HG3 LYS A 4 -5.685 -3.322 11.502 1.00 1.62 H new ATOM 0 HD2 LYS A 4 -3.746 -3.499 12.836 1.00 1.90 H new ATOM 0 HD3 LYS A 4 -3.896 -5.089 12.113 1.00 1.90 H new ATOM 0 HE2 LYS A 4 -1.586 -4.562 11.970 1.00 2.62 H new ATOM 0 HE3 LYS A 4 -2.203 -4.335 10.346 1.00 2.62 H new ATOM 0 HZ1 LYS A 4 -0.741 -2.551 10.986 1.00 2.89 H new ATOM 0 HZ2 LYS A 4 -2.313 -1.955 10.751 1.00 2.89 H new ATOM 0 HZ3 LYS A 4 -1.716 -2.176 12.325 1.00 2.89 H new ATOM 61 N CYS A 5 -4.830 -3.691 6.635 1.00 0.99 N ATOM 62 CA CYS A 5 -4.358 -4.089 5.325 1.00 1.07 C ATOM 63 C CYS A 5 -2.860 -4.309 5.416 1.00 0.91 C ATOM 64 O CYS A 5 -2.106 -3.388 5.736 1.00 1.01 O ATOM 65 CB CYS A 5 -4.652 -2.995 4.320 1.00 1.59 C ATOM 66 SG CYS A 5 -4.274 -3.629 2.679 1.00 1.62 S ATOM 0 H CYS A 5 -4.490 -2.778 6.937 1.00 0.99 H new ATOM 0 HA CYS A 5 -4.859 -5.002 5.003 1.00 1.07 H new ATOM 0 HB2 CYS A 5 -5.698 -2.694 4.380 1.00 1.59 H new ATOM 0 HB3 CYS A 5 -4.052 -2.110 4.534 1.00 1.59 H new ATOM 0 HG CYS A 5 -5.378 -3.801 2.015 1.00 1.62 H new ATOM 72 N TYR A 6 -2.426 -5.536 5.165 1.00 0.77 N ATOM 73 CA TYR A 6 -1.017 -5.851 5.096 1.00 0.62 C ATOM 74 C TYR A 6 -0.634 -5.889 3.631 1.00 0.79 C ATOM 75 O TYR A 6 -1.305 -6.526 2.821 1.00 1.21 O ATOM 76 CB TYR A 6 -0.707 -7.181 5.790 1.00 0.62 C ATOM 77 CG TYR A 6 -0.412 -7.068 7.271 1.00 1.13 C ATOM 78 CD1 TYR A 6 0.674 -6.285 7.707 1.00 1.73 C ATOM 79 CD2 TYR A 6 -1.152 -7.819 8.203 1.00 2.76 C ATOM 80 CE1 TYR A 6 1.015 -6.244 9.069 1.00 2.08 C ATOM 81 CE2 TYR A 6 -0.810 -7.777 9.566 1.00 3.36 C ATOM 82 CZ TYR A 6 0.264 -6.983 9.999 1.00 2.52 C ATOM 83 OH TYR A 6 0.576 -6.934 11.325 1.00 3.25 O ATOM 0 H TYR A 6 -3.042 -6.333 5.005 1.00 0.77 H new ATOM 0 HA TYR A 6 -0.434 -5.093 5.619 1.00 0.62 H new ATOM 0 HB2 TYR A 6 -1.554 -7.853 5.652 1.00 0.62 H new ATOM 0 HB3 TYR A 6 0.149 -7.642 5.297 1.00 0.62 H new ATOM 0 HD1 TYR A 6 1.247 -5.714 6.992 1.00 1.73 H new ATOM 0 HD2 TYR A 6 -1.981 -8.427 7.872 1.00 2.76 H new ATOM 0 HE1 TYR A 6 1.851 -5.647 9.400 1.00 2.08 H new ATOM 0 HE2 TYR A 6 -1.374 -8.357 10.281 1.00 3.36 H new ATOM 0 HH TYR A 6 -0.044 -7.503 11.828 1.00 3.25 H new ATOM 93 N ILE A 7 0.454 -5.202 3.293 1.00 0.53 N ATOM 94 CA ILE A 7 1.055 -5.302 1.982 1.00 0.52 C ATOM 95 C ILE A 7 2.549 -5.484 2.230 1.00 0.52 C ATOM 96 O ILE A 7 3.070 -5.053 3.261 1.00 0.58 O ATOM 97 CB ILE A 7 0.685 -4.085 1.097 1.00 0.50 C ATOM 98 CG1 ILE A 7 -0.815 -3.773 1.233 1.00 0.62 C ATOM 99 CG2 ILE A 7 1.002 -4.338 -0.385 1.00 0.42 C ATOM 100 CD1 ILE A 7 -1.350 -2.744 0.234 1.00 0.87 C ATOM 0 H ILE A 7 0.937 -4.563 3.925 1.00 0.53 H new ATOM 0 HA ILE A 7 0.680 -6.149 1.408 1.00 0.52 H new ATOM 0 HB ILE A 7 1.283 -3.242 1.441 1.00 0.50 H new ATOM 0 HG12 ILE A 7 -1.377 -4.700 1.114 1.00 0.62 H new ATOM 0 HG13 ILE A 7 -1.006 -3.411 2.243 1.00 0.62 H new ATOM 0 HG21 ILE A 7 0.728 -3.461 -0.971 1.00 0.42 H new ATOM 0 HG22 ILE A 7 2.068 -4.533 -0.501 1.00 0.42 H new ATOM 0 HG23 ILE A 7 0.435 -5.200 -0.736 1.00 0.42 H new ATOM 0 HD11 ILE A 7 -2.415 -2.589 0.406 1.00 0.87 H new ATOM 0 HD12 ILE A 7 -0.820 -1.800 0.365 1.00 0.87 H new ATOM 0 HD13 ILE A 7 -1.196 -3.109 -0.782 1.00 0.87 H new ATOM 112 N GLN A 8 3.239 -6.169 1.325 1.00 0.55 N ATOM 113 CA GLN A 8 4.691 -6.212 1.316 1.00 0.60 C ATOM 114 C GLN A 8 5.192 -5.737 -0.048 1.00 0.63 C ATOM 115 O GLN A 8 4.430 -5.736 -1.015 1.00 0.67 O ATOM 116 CB GLN A 8 5.149 -7.618 1.723 1.00 0.66 C ATOM 117 CG GLN A 8 6.671 -7.731 1.817 1.00 1.45 C ATOM 118 CD GLN A 8 7.088 -8.970 2.599 1.00 1.34 C ATOM 119 OE1 GLN A 8 6.906 -9.030 3.811 1.00 1.51 O ATOM 120 NE2 GLN A 8 7.638 -9.972 1.919 1.00 2.54 N ATOM 0 H GLN A 8 2.804 -6.710 0.577 1.00 0.55 H new ATOM 0 HA GLN A 8 5.130 -5.533 2.047 1.00 0.60 H new ATOM 0 HB2 GLN A 8 4.708 -7.876 2.686 1.00 0.66 H new ATOM 0 HB3 GLN A 8 4.778 -8.342 0.998 1.00 0.66 H new ATOM 0 HG2 GLN A 8 7.097 -7.771 0.815 1.00 1.45 H new ATOM 0 HG3 GLN A 8 7.075 -6.841 2.300 1.00 1.45 H new ATOM 0 HE21 GLN A 8 7.775 -9.890 0.912 1.00 2.54 H new ATOM 0 HE22 GLN A 8 7.922 -10.823 2.405 1.00 2.54 H new ATOM 129 N VAL A 9 6.451 -5.292 -0.101 1.00 0.67 N ATOM 130 CA VAL A 9 7.139 -4.811 -1.292 1.00 0.71 C ATOM 131 C VAL A 9 8.494 -5.513 -1.382 1.00 0.76 C ATOM 132 O VAL A 9 8.915 -6.160 -0.424 1.00 1.35 O ATOM 133 CB VAL A 9 7.305 -3.279 -1.236 1.00 0.92 C ATOM 134 CG1 VAL A 9 5.962 -2.579 -1.472 1.00 2.04 C ATOM 135 CG2 VAL A 9 7.921 -2.796 0.086 1.00 2.72 C ATOM 0 H VAL A 9 7.043 -5.258 0.729 1.00 0.67 H new ATOM 0 HA VAL A 9 6.554 -5.040 -2.183 1.00 0.71 H new ATOM 0 HB VAL A 9 7.999 -3.014 -2.034 1.00 0.92 H new ATOM 0 HG11 VAL A 9 6.102 -1.499 -1.428 1.00 2.04 H new ATOM 0 HG12 VAL A 9 5.575 -2.855 -2.453 1.00 2.04 H new ATOM 0 HG13 VAL A 9 5.252 -2.884 -0.703 1.00 2.04 H new ATOM 0 HG21 VAL A 9 8.014 -1.710 0.069 1.00 2.72 H new ATOM 0 HG22 VAL A 9 7.279 -3.092 0.916 1.00 2.72 H new ATOM 0 HG23 VAL A 9 8.907 -3.243 0.213 1.00 2.72 H new ATOM 145 N THR A 10 9.179 -5.386 -2.522 1.00 0.71 N ATOM 146 CA THR A 10 10.462 -6.038 -2.769 1.00 0.85 C ATOM 147 C THR A 10 11.411 -5.090 -3.512 1.00 0.93 C ATOM 148 O THR A 10 11.966 -5.400 -4.560 1.00 1.20 O ATOM 149 CB THR A 10 10.220 -7.424 -3.391 1.00 1.22 C ATOM 150 OG1 THR A 10 11.385 -8.224 -3.381 1.00 2.16 O ATOM 151 CG2 THR A 10 9.669 -7.337 -4.811 1.00 2.71 C ATOM 0 H THR A 10 8.852 -4.821 -3.306 1.00 0.71 H new ATOM 0 HA THR A 10 10.998 -6.249 -1.844 1.00 0.85 H new ATOM 0 HB THR A 10 9.468 -7.899 -2.761 1.00 1.22 H new ATOM 0 HG1 THR A 10 11.187 -9.095 -3.783 1.00 2.16 H new ATOM 0 HG21 THR A 10 9.516 -8.342 -5.204 1.00 2.71 H new ATOM 0 HG22 THR A 10 8.719 -6.803 -4.801 1.00 2.71 H new ATOM 0 HG23 THR A 10 10.378 -6.804 -5.444 1.00 2.71 H new ATOM 218 N SER A 16 12.918 6.457 -0.411 1.00 1.58 N ATOM 219 CA SER A 16 11.954 7.483 -0.812 1.00 1.23 C ATOM 220 C SER A 16 11.264 7.051 -2.103 1.00 1.31 C ATOM 221 O SER A 16 11.897 6.831 -3.131 1.00 2.91 O ATOM 222 CB SER A 16 12.522 8.916 -0.826 1.00 1.66 C ATOM 223 OG SER A 16 13.202 9.245 -2.018 1.00 1.79 O ATOM 0 HA SER A 16 11.189 7.555 -0.039 1.00 1.23 H new ATOM 0 HB2 SER A 16 11.705 9.622 -0.677 1.00 1.66 H new ATOM 0 HB3 SER A 16 13.204 9.035 0.016 1.00 1.66 H new ATOM 0 HG SER A 16 13.535 10.165 -1.962 1.00 1.79 H new ATOM 229 N CYS A 17 9.952 6.838 -1.996 1.00 0.93 N ATOM 230 CA CYS A 17 9.085 6.247 -3.009 1.00 0.90 C ATOM 231 C CYS A 17 7.762 5.969 -2.312 1.00 0.75 C ATOM 232 O CYS A 17 6.720 6.491 -2.700 1.00 0.82 O ATOM 233 CB CYS A 17 9.670 4.945 -3.588 1.00 0.97 C ATOM 234 SG CYS A 17 10.279 5.255 -5.263 1.00 2.55 S ATOM 0 H CYS A 17 9.439 7.089 -1.151 1.00 0.93 H new ATOM 0 HA CYS A 17 8.971 6.925 -3.855 1.00 0.90 H new ATOM 0 HB2 CYS A 17 10.481 4.584 -2.955 1.00 0.97 H new ATOM 0 HB3 CYS A 17 8.908 4.166 -3.604 1.00 0.97 H new ATOM 0 HG CYS A 17 11.291 6.069 -5.213 1.00 2.55 H new ATOM 240 N VAL A 18 7.827 5.204 -1.216 1.00 0.66 N ATOM 241 CA VAL A 18 6.673 4.918 -0.377 1.00 0.61 C ATOM 242 C VAL A 18 5.893 6.188 -0.058 1.00 0.56 C ATOM 243 O VAL A 18 4.688 6.199 -0.251 1.00 0.58 O ATOM 244 CB VAL A 18 7.097 4.137 0.874 1.00 0.65 C ATOM 245 CG1 VAL A 18 6.138 4.359 2.042 1.00 1.84 C ATOM 246 CG2 VAL A 18 7.158 2.651 0.507 1.00 1.93 C ATOM 0 H VAL A 18 8.689 4.767 -0.890 1.00 0.66 H new ATOM 0 HA VAL A 18 5.986 4.276 -0.929 1.00 0.61 H new ATOM 0 HB VAL A 18 8.073 4.494 1.202 1.00 0.65 H new ATOM 0 HG11 VAL A 18 6.478 3.787 2.905 1.00 1.84 H new ATOM 0 HG12 VAL A 18 6.113 5.419 2.296 1.00 1.84 H new ATOM 0 HG13 VAL A 18 5.138 4.030 1.759 1.00 1.84 H new ATOM 0 HG21 VAL A 18 7.458 2.072 1.381 1.00 1.93 H new ATOM 0 HG22 VAL A 18 6.176 2.319 0.171 1.00 1.93 H new ATOM 0 HG23 VAL A 18 7.884 2.503 -0.292 1.00 1.93 H new ATOM 256 N ALA A 19 6.566 7.257 0.372 1.00 0.63 N ATOM 257 CA ALA A 19 5.935 8.533 0.698 1.00 0.72 C ATOM 258 C ALA A 19 4.956 9.018 -0.381 1.00 0.63 C ATOM 259 O ALA A 19 3.979 9.697 -0.071 1.00 0.61 O ATOM 260 CB ALA A 19 7.009 9.587 0.974 1.00 0.93 C ATOM 0 H ALA A 19 7.577 7.259 0.505 1.00 0.63 H new ATOM 0 HA ALA A 19 5.337 8.375 1.596 1.00 0.72 H new ATOM 0 HB1 ALA A 19 6.533 10.537 1.217 1.00 0.93 H new ATOM 0 HB2 ALA A 19 7.627 9.266 1.813 1.00 0.93 H new ATOM 0 HB3 ALA A 19 7.634 9.710 0.089 1.00 0.93 H new ATOM 266 N ASN A 20 5.190 8.672 -1.653 1.00 0.65 N ATOM 267 CA ASN A 20 4.203 8.943 -2.681 1.00 0.68 C ATOM 268 C ASN A 20 2.972 8.051 -2.486 1.00 0.64 C ATOM 269 O ASN A 20 1.858 8.545 -2.302 1.00 0.72 O ATOM 270 CB ASN A 20 4.789 8.742 -4.084 1.00 0.75 C ATOM 271 CG ASN A 20 3.637 8.762 -5.090 1.00 0.92 C ATOM 272 OD1 ASN A 20 3.432 7.829 -5.858 1.00 2.27 O ATOM 273 ND2 ASN A 20 2.781 9.772 -4.988 1.00 2.51 N ATOM 0 H ASN A 20 6.040 8.213 -1.981 1.00 0.65 H new ATOM 0 HA ASN A 20 3.902 9.987 -2.589 1.00 0.68 H new ATOM 0 HB2 ASN A 20 5.507 9.530 -4.313 1.00 0.75 H new ATOM 0 HB3 ASN A 20 5.326 7.795 -4.140 1.00 0.75 H new ATOM 0 HD21 ASN A 20 1.933 9.781 -5.555 1.00 2.51 H new ATOM 0 HD22 ASN A 20 2.971 10.538 -4.342 1.00 2.51 H new ATOM 280 N ILE A 21 3.184 6.734 -2.555 1.00 0.57 N ATOM 281 CA ILE A 21 2.135 5.741 -2.376 1.00 0.57 C ATOM 282 C ILE A 21 1.330 6.039 -1.108 1.00 0.57 C ATOM 283 O ILE A 21 0.113 5.881 -1.133 1.00 0.70 O ATOM 284 CB ILE A 21 2.730 4.317 -2.388 1.00 0.62 C ATOM 285 CG1 ILE A 21 3.124 3.833 -3.798 1.00 0.72 C ATOM 286 CG2 ILE A 21 1.779 3.294 -1.758 1.00 0.68 C ATOM 287 CD1 ILE A 21 1.943 3.676 -4.762 1.00 3.22 C ATOM 0 H ILE A 21 4.101 6.328 -2.739 1.00 0.57 H new ATOM 0 HA ILE A 21 1.439 5.796 -3.213 1.00 0.57 H new ATOM 0 HB ILE A 21 3.638 4.388 -1.789 1.00 0.62 H new ATOM 0 HG12 ILE A 21 3.836 4.538 -4.226 1.00 0.72 H new ATOM 0 HG13 ILE A 21 3.637 2.875 -3.711 1.00 0.72 H new ATOM 0 HG21 ILE A 21 2.237 2.305 -1.787 1.00 0.68 H new ATOM 0 HG22 ILE A 21 1.580 3.571 -0.723 1.00 0.68 H new ATOM 0 HG23 ILE A 21 0.842 3.277 -2.315 1.00 0.68 H new ATOM 0 HD11 ILE A 21 2.307 3.332 -5.730 1.00 3.22 H new ATOM 0 HD12 ILE A 21 1.239 2.947 -4.360 1.00 3.22 H new ATOM 0 HD13 ILE A 21 1.442 4.636 -4.883 1.00 3.22 H new ATOM 299 N GLU A 22 1.982 6.482 -0.024 1.00 0.52 N ATOM 300 CA GLU A 22 1.328 6.881 1.207 1.00 0.57 C ATOM 301 C GLU A 22 0.148 7.780 0.882 1.00 0.78 C ATOM 302 O GLU A 22 -0.981 7.380 1.108 1.00 0.94 O ATOM 303 CB GLU A 22 2.281 7.605 2.169 1.00 0.59 C ATOM 304 CG GLU A 22 3.244 6.672 2.904 1.00 0.55 C ATOM 305 CD GLU A 22 4.138 7.446 3.869 1.00 0.85 C ATOM 306 OE1 GLU A 22 3.615 8.404 4.478 1.00 2.24 O ATOM 307 OE2 GLU A 22 5.334 7.094 3.953 1.00 1.54 O ATOM 0 H GLU A 22 2.998 6.571 0.011 1.00 0.52 H new ATOM 0 HA GLU A 22 0.989 5.975 1.709 1.00 0.57 H new ATOM 0 HB2 GLU A 22 2.859 8.340 1.608 1.00 0.59 H new ATOM 0 HB3 GLU A 22 1.692 8.155 2.903 1.00 0.59 H new ATOM 0 HG2 GLU A 22 2.677 5.920 3.453 1.00 0.55 H new ATOM 0 HG3 GLU A 22 3.861 6.140 2.180 1.00 0.55 H new ATOM 314 N ARG A 23 0.404 8.972 0.342 1.00 0.89 N ATOM 315 CA ARG A 23 -0.586 9.920 -0.116 1.00 1.12 C ATOM 316 C ARG A 23 -1.616 9.264 -1.033 1.00 1.19 C ATOM 317 O ARG A 23 -2.814 9.432 -0.794 1.00 1.65 O ATOM 318 CB ARG A 23 0.113 11.086 -0.823 1.00 1.29 C ATOM 319 CG ARG A 23 -0.908 12.200 -1.054 1.00 2.62 C ATOM 320 CD ARG A 23 -0.316 13.386 -1.816 1.00 2.52 C ATOM 321 NE ARG A 23 0.000 13.023 -3.208 1.00 4.05 N ATOM 322 CZ ARG A 23 0.374 13.898 -4.155 1.00 4.93 C ATOM 323 NH1 ARG A 23 0.548 15.186 -3.834 1.00 4.56 N ATOM 324 NH2 ARG A 23 0.565 13.485 -5.413 1.00 6.70 N ATOM 0 H ARG A 23 1.357 9.310 0.210 1.00 0.89 H new ATOM 0 HA ARG A 23 -1.129 10.298 0.750 1.00 1.12 H new ATOM 0 HB2 ARG A 23 0.942 11.453 -0.218 1.00 1.29 H new ATOM 0 HB3 ARG A 23 0.533 10.755 -1.773 1.00 1.29 H new ATOM 0 HG2 ARG A 23 -1.756 11.802 -1.610 1.00 2.62 H new ATOM 0 HG3 ARG A 23 -1.290 12.544 -0.093 1.00 2.62 H new ATOM 0 HD2 ARG A 23 -1.022 14.217 -1.806 1.00 2.52 H new ATOM 0 HD3 ARG A 23 0.588 13.730 -1.313 1.00 2.52 H new ATOM 0 HE ARG A 23 -0.070 12.040 -3.470 1.00 4.05 H new ATOM 0 HH11 ARG A 23 0.397 15.497 -2.875 1.00 4.56 H new ATOM 0 HH12 ARG A 23 0.832 15.856 -4.549 1.00 4.56 H new ATOM 0 HH21 ARG A 23 0.426 12.504 -5.654 1.00 6.70 H new ATOM 0 HH22 ARG A 23 0.849 14.151 -6.131 1.00 6.70 H new ATOM 338 N ASN A 24 -1.168 8.572 -2.092 1.00 0.83 N ATOM 339 CA ASN A 24 -2.083 7.952 -3.050 1.00 0.89 C ATOM 340 C ASN A 24 -3.126 7.123 -2.290 1.00 0.94 C ATOM 341 O ASN A 24 -4.327 7.273 -2.502 1.00 1.14 O ATOM 342 CB ASN A 24 -1.317 7.099 -4.080 1.00 0.86 C ATOM 343 CG ASN A 24 -0.149 7.823 -4.758 1.00 1.54 C ATOM 344 OD1 ASN A 24 0.076 9.021 -4.571 1.00 2.70 O ATOM 345 ND2 ASN A 24 0.655 7.094 -5.518 1.00 2.22 N ATOM 0 H ASN A 24 -0.180 8.431 -2.302 1.00 0.83 H new ATOM 0 HA ASN A 24 -2.598 8.732 -3.611 1.00 0.89 H new ATOM 0 HB2 ASN A 24 -0.936 6.207 -3.583 1.00 0.86 H new ATOM 0 HB3 ASN A 24 -2.015 6.764 -4.847 1.00 0.86 H new ATOM 0 HD21 ASN A 24 1.470 7.523 -5.956 1.00 2.22 H new ATOM 0 HD22 ASN A 24 0.459 6.104 -5.665 1.00 2.22 H new ATOM 352 N LEU A 25 -2.658 6.309 -1.342 1.00 0.79 N ATOM 353 CA LEU A 25 -3.492 5.514 -0.455 1.00 0.75 C ATOM 354 C LEU A 25 -4.310 6.406 0.486 1.00 0.77 C ATOM 355 O LEU A 25 -5.524 6.269 0.537 1.00 1.09 O ATOM 356 CB LEU A 25 -2.631 4.460 0.260 1.00 0.72 C ATOM 357 CG LEU A 25 -2.531 3.161 -0.574 1.00 1.06 C ATOM 358 CD1 LEU A 25 -2.292 3.360 -2.080 1.00 1.55 C ATOM 359 CD2 LEU A 25 -1.417 2.256 -0.034 1.00 1.83 C ATOM 0 H LEU A 25 -1.660 6.185 -1.170 1.00 0.79 H new ATOM 0 HA LEU A 25 -4.234 4.966 -1.035 1.00 0.75 H new ATOM 0 HB2 LEU A 25 -1.633 4.860 0.436 1.00 0.72 H new ATOM 0 HB3 LEU A 25 -3.061 4.236 1.236 1.00 0.72 H new ATOM 0 HG LEU A 25 -3.515 2.705 -0.468 1.00 1.06 H new ATOM 0 HD11 LEU A 25 -2.238 2.389 -2.571 1.00 1.55 H new ATOM 0 HD12 LEU A 25 -3.113 3.937 -2.506 1.00 1.55 H new ATOM 0 HD13 LEU A 25 -1.355 3.896 -2.232 1.00 1.55 H new ATOM 0 HD21 LEU A 25 -1.363 1.348 -0.634 1.00 1.83 H new ATOM 0 HD22 LEU A 25 -0.464 2.782 -0.085 1.00 1.83 H new ATOM 0 HD23 LEU A 25 -1.631 1.994 1.002 1.00 1.83 H new ATOM 371 N ARG A 26 -3.696 7.342 1.210 1.00 0.72 N ATOM 372 CA ARG A 26 -4.309 8.231 2.180 1.00 0.78 C ATOM 373 C ARG A 26 -5.649 8.806 1.700 1.00 1.10 C ATOM 374 O ARG A 26 -6.556 9.032 2.498 1.00 1.57 O ATOM 375 CB ARG A 26 -3.343 9.386 2.447 1.00 0.73 C ATOM 376 CG ARG A 26 -3.237 9.758 3.921 1.00 2.24 C ATOM 377 CD ARG A 26 -4.427 10.531 4.502 1.00 3.31 C ATOM 378 NE ARG A 26 -5.413 9.627 5.124 1.00 4.80 N ATOM 379 CZ ARG A 26 -6.513 10.032 5.780 1.00 6.29 C ATOM 380 NH1 ARG A 26 -6.825 11.331 5.817 1.00 6.69 N ATOM 381 NH2 ARG A 26 -7.279 9.144 6.418 1.00 7.74 N ATOM 0 H ARG A 26 -2.693 7.505 1.124 1.00 0.72 H new ATOM 0 HA ARG A 26 -4.511 7.653 3.081 1.00 0.78 H new ATOM 0 HB2 ARG A 26 -2.354 9.116 2.076 1.00 0.73 H new ATOM 0 HB3 ARG A 26 -3.668 10.260 1.882 1.00 0.73 H new ATOM 0 HG2 ARG A 26 -3.106 8.843 4.499 1.00 2.24 H new ATOM 0 HG3 ARG A 26 -2.336 10.356 4.061 1.00 2.24 H new ATOM 0 HD2 ARG A 26 -4.070 11.246 5.244 1.00 3.31 H new ATOM 0 HD3 ARG A 26 -4.909 11.106 3.711 1.00 3.31 H new ATOM 0 HE ARG A 26 -5.248 8.623 5.051 1.00 4.80 H new ATOM 0 HH11 ARG A 26 -6.228 12.012 5.348 1.00 6.69 H new ATOM 0 HH12 ARG A 26 -7.660 11.641 6.314 1.00 6.69 H new ATOM 0 HH21 ARG A 26 -7.030 8.155 6.408 1.00 7.74 H new ATOM 0 HH22 ARG A 26 -8.114 9.455 6.915 1.00 7.74 H new ATOM 395 N ARG A 27 -5.712 9.117 0.401 1.00 1.26 N ATOM 396 CA ARG A 27 -6.813 9.807 -0.259 1.00 1.94 C ATOM 397 C ARG A 27 -7.772 8.843 -0.961 1.00 1.54 C ATOM 398 O ARG A 27 -8.845 9.264 -1.386 1.00 2.33 O ATOM 399 CB ARG A 27 -6.213 10.772 -1.290 1.00 2.88 C ATOM 400 CG ARG A 27 -5.580 11.996 -0.610 1.00 3.27 C ATOM 401 CD ARG A 27 -6.348 13.267 -0.993 1.00 4.09 C ATOM 402 NE ARG A 27 -6.144 13.593 -2.414 1.00 4.94 N ATOM 403 CZ ARG A 27 -6.850 14.491 -3.120 1.00 5.90 C ATOM 404 NH1 ARG A 27 -7.891 15.115 -2.561 1.00 6.11 N ATOM 405 NH2 ARG A 27 -6.503 14.766 -4.384 1.00 7.09 N ATOM 0 H ARG A 27 -4.959 8.881 -0.245 1.00 1.26 H new ATOM 0 HA ARG A 27 -7.393 10.336 0.497 1.00 1.94 H new ATOM 0 HB2 ARG A 27 -5.459 10.252 -1.882 1.00 2.88 H new ATOM 0 HB3 ARG A 27 -6.991 11.099 -1.980 1.00 2.88 H new ATOM 0 HG2 ARG A 27 -5.591 11.867 0.472 1.00 3.27 H new ATOM 0 HG3 ARG A 27 -4.536 12.089 -0.909 1.00 3.27 H new ATOM 0 HD2 ARG A 27 -7.411 13.128 -0.796 1.00 4.09 H new ATOM 0 HD3 ARG A 27 -6.015 14.099 -0.373 1.00 4.09 H new ATOM 0 HE ARG A 27 -5.402 13.094 -2.905 1.00 4.94 H new ATOM 0 HH11 ARG A 27 -8.151 14.910 -1.596 1.00 6.11 H new ATOM 0 HH12 ARG A 27 -8.426 15.797 -3.099 1.00 6.11 H new ATOM 0 HH21 ARG A 27 -5.704 14.294 -4.808 1.00 7.09 H new ATOM 0 HH22 ARG A 27 -7.037 15.448 -4.923 1.00 7.09 H new ATOM 419 N GLU A 28 -7.369 7.586 -1.133 1.00 0.82 N ATOM 420 CA GLU A 28 -8.107 6.594 -1.892 1.00 0.85 C ATOM 421 C GLU A 28 -9.369 6.187 -1.110 1.00 1.05 C ATOM 422 O GLU A 28 -9.387 6.170 0.127 1.00 1.82 O ATOM 423 CB GLU A 28 -7.120 5.480 -2.288 1.00 0.99 C ATOM 424 CG GLU A 28 -7.601 4.043 -2.150 1.00 2.06 C ATOM 425 CD GLU A 28 -8.454 3.613 -3.336 1.00 2.08 C ATOM 426 OE1 GLU A 28 -9.345 4.407 -3.704 1.00 3.00 O ATOM 427 OE2 GLU A 28 -8.177 2.511 -3.858 1.00 2.66 O ATOM 0 H GLU A 28 -6.500 7.227 -0.737 1.00 0.82 H new ATOM 0 HA GLU A 28 -8.509 6.964 -2.835 1.00 0.85 H new ATOM 0 HB2 GLU A 28 -6.828 5.640 -3.326 1.00 0.99 H new ATOM 0 HB3 GLU A 28 -6.221 5.595 -1.683 1.00 0.99 H new ATOM 0 HG2 GLU A 28 -6.741 3.379 -2.062 1.00 2.06 H new ATOM 0 HG3 GLU A 28 -8.178 3.940 -1.231 1.00 2.06 H new ATOM 434 N GLU A 29 -10.455 5.924 -1.837 1.00 0.97 N ATOM 435 CA GLU A 29 -11.817 5.955 -1.323 1.00 1.10 C ATOM 436 C GLU A 29 -12.142 4.676 -0.554 1.00 0.94 C ATOM 437 O GLU A 29 -12.893 3.815 -1.008 1.00 1.18 O ATOM 438 CB GLU A 29 -12.808 6.261 -2.454 1.00 1.61 C ATOM 439 CG GLU A 29 -12.656 7.718 -2.915 1.00 2.21 C ATOM 440 CD GLU A 29 -13.723 8.099 -3.933 1.00 2.67 C ATOM 441 OE1 GLU A 29 -13.579 7.669 -5.097 1.00 3.13 O ATOM 442 OE2 GLU A 29 -14.664 8.812 -3.524 1.00 3.37 O ATOM 0 H GLU A 29 -10.406 5.677 -2.826 1.00 0.97 H new ATOM 0 HA GLU A 29 -11.912 6.766 -0.601 1.00 1.10 H new ATOM 0 HB2 GLU A 29 -12.633 5.587 -3.292 1.00 1.61 H new ATOM 0 HB3 GLU A 29 -13.828 6.085 -2.111 1.00 1.61 H new ATOM 0 HG2 GLU A 29 -12.722 8.382 -2.053 1.00 2.21 H new ATOM 0 HG3 GLU A 29 -11.668 7.860 -3.352 1.00 2.21 H new ATOM 449 N GLY A 30 -11.586 4.594 0.656 1.00 0.88 N ATOM 450 CA GLY A 30 -11.798 3.505 1.596 1.00 0.76 C ATOM 451 C GLY A 30 -10.554 3.211 2.431 1.00 0.63 C ATOM 452 O GLY A 30 -10.656 2.507 3.437 1.00 0.85 O ATOM 0 H GLY A 30 -10.955 5.311 1.015 1.00 0.88 H new ATOM 0 HA2 GLY A 30 -12.627 3.756 2.258 1.00 0.76 H new ATOM 0 HA3 GLY A 30 -12.087 2.607 1.050 1.00 0.76 H new ATOM 456 N ILE A 31 -9.384 3.741 2.052 1.00 0.55 N ATOM 457 CA ILE A 31 -8.233 3.722 2.938 1.00 0.41 C ATOM 458 C ILE A 31 -8.542 4.589 4.157 1.00 0.47 C ATOM 459 O ILE A 31 -9.184 5.632 4.055 1.00 0.65 O ATOM 460 CB ILE A 31 -6.973 4.222 2.209 1.00 0.39 C ATOM 461 CG1 ILE A 31 -6.398 3.162 1.253 1.00 0.65 C ATOM 462 CG2 ILE A 31 -5.881 4.705 3.181 1.00 0.74 C ATOM 463 CD1 ILE A 31 -5.609 2.049 1.953 1.00 1.68 C ATOM 0 H ILE A 31 -9.219 4.181 1.147 1.00 0.55 H new ATOM 0 HA ILE A 31 -8.034 2.700 3.260 1.00 0.41 H new ATOM 0 HB ILE A 31 -7.296 5.078 1.617 1.00 0.39 H new ATOM 0 HG12 ILE A 31 -7.217 2.713 0.690 1.00 0.65 H new ATOM 0 HG13 ILE A 31 -5.747 3.655 0.531 1.00 0.65 H new ATOM 0 HG21 ILE A 31 -5.015 5.047 2.614 1.00 0.74 H new ATOM 0 HG22 ILE A 31 -6.268 5.527 3.783 1.00 0.74 H new ATOM 0 HG23 ILE A 31 -5.586 3.884 3.834 1.00 0.74 H new ATOM 0 HD11 ILE A 31 -5.238 1.343 1.210 1.00 1.68 H new ATOM 0 HD12 ILE A 31 -4.768 2.484 2.493 1.00 1.68 H new ATOM 0 HD13 ILE A 31 -6.260 1.528 2.655 1.00 1.68 H new ATOM 475 N TYR A 32 -8.039 4.159 5.312 1.00 0.39 N ATOM 476 CA TYR A 32 -7.983 4.954 6.524 1.00 0.41 C ATOM 477 C TYR A 32 -6.556 5.447 6.728 1.00 0.54 C ATOM 478 O TYR A 32 -6.331 6.654 6.802 1.00 1.23 O ATOM 479 CB TYR A 32 -8.470 4.114 7.707 1.00 0.48 C ATOM 480 CG TYR A 32 -9.978 4.018 7.761 1.00 0.61 C ATOM 481 CD1 TYR A 32 -10.661 3.148 6.891 1.00 1.89 C ATOM 482 CD2 TYR A 32 -10.704 4.941 8.538 1.00 1.69 C ATOM 483 CE1 TYR A 32 -12.063 3.192 6.816 1.00 2.07 C ATOM 484 CE2 TYR A 32 -12.108 4.928 8.518 1.00 1.70 C ATOM 485 CZ TYR A 32 -12.788 4.069 7.638 1.00 1.06 C ATOM 486 OH TYR A 32 -14.148 4.071 7.588 1.00 1.34 O ATOM 0 H TYR A 32 -7.651 3.223 5.428 1.00 0.39 H new ATOM 0 HA TYR A 32 -8.635 5.824 6.444 1.00 0.41 H new ATOM 0 HB2 TYR A 32 -8.047 3.112 7.637 1.00 0.48 H new ATOM 0 HB3 TYR A 32 -8.103 4.551 8.636 1.00 0.48 H new ATOM 0 HD1 TYR A 32 -10.108 2.448 6.282 1.00 1.89 H new ATOM 0 HD2 TYR A 32 -10.180 5.660 9.150 1.00 1.69 H new ATOM 0 HE1 TYR A 32 -12.585 2.549 6.123 1.00 2.07 H new ATOM 0 HE2 TYR A 32 -12.664 5.577 9.178 1.00 1.70 H new ATOM 0 HH TYR A 32 -14.498 4.734 8.219 1.00 1.34 H new ATOM 496 N SER A 33 -5.605 4.516 6.832 1.00 0.38 N ATOM 497 CA SER A 33 -4.216 4.808 7.159 1.00 0.39 C ATOM 498 C SER A 33 -3.318 4.286 6.048 1.00 0.39 C ATOM 499 O SER A 33 -3.647 3.265 5.442 1.00 0.38 O ATOM 500 CB SER A 33 -3.839 4.136 8.483 1.00 0.43 C ATOM 501 OG SER A 33 -2.662 4.733 8.984 1.00 0.75 O ATOM 0 H SER A 33 -5.786 3.523 6.688 1.00 0.38 H new ATOM 0 HA SER A 33 -4.088 5.886 7.259 1.00 0.39 H new ATOM 0 HB2 SER A 33 -4.650 4.242 9.203 1.00 0.43 H new ATOM 0 HB3 SER A 33 -3.684 3.068 8.332 1.00 0.43 H new ATOM 0 HG SER A 33 -2.416 4.309 9.832 1.00 0.75 H new ATOM 507 N ILE A 34 -2.190 4.966 5.837 1.00 0.50 N ATOM 508 CA ILE A 34 -1.166 4.646 4.852 1.00 0.56 C ATOM 509 C ILE A 34 -0.259 3.521 5.350 1.00 0.50 C ATOM 510 O ILE A 34 -0.278 3.174 6.527 1.00 0.60 O ATOM 511 CB ILE A 34 -0.310 5.894 4.553 1.00 0.80 C ATOM 512 CG1 ILE A 34 0.764 6.257 5.601 1.00 2.01 C ATOM 513 CG2 ILE A 34 -1.183 7.113 4.268 1.00 0.99 C ATOM 514 CD1 ILE A 34 0.265 6.406 7.038 1.00 3.37 C ATOM 0 H ILE A 34 -1.958 5.798 6.379 1.00 0.50 H new ATOM 0 HA ILE A 34 -1.667 4.316 3.942 1.00 0.56 H new ATOM 0 HB ILE A 34 0.249 5.603 3.664 1.00 0.80 H new ATOM 0 HG12 ILE A 34 1.537 5.489 5.582 1.00 2.01 H new ATOM 0 HG13 ILE A 34 1.236 7.193 5.301 1.00 2.01 H new ATOM 0 HG21 ILE A 34 -0.548 7.975 4.061 1.00 0.99 H new ATOM 0 HG22 ILE A 34 -1.816 6.913 3.404 1.00 0.99 H new ATOM 0 HG23 ILE A 34 -1.809 7.323 5.135 1.00 0.99 H new ATOM 0 HD11 ILE A 34 1.101 6.661 7.689 1.00 3.37 H new ATOM 0 HD12 ILE A 34 -0.484 7.196 7.083 1.00 3.37 H new ATOM 0 HD13 ILE A 34 -0.178 5.467 7.368 1.00 3.37 H new ATOM 526 N LEU A 35 0.559 2.970 4.452 1.00 0.51 N ATOM 527 CA LEU A 35 1.607 2.037 4.789 1.00 0.58 C ATOM 528 C LEU A 35 2.861 2.773 5.228 1.00 0.70 C ATOM 529 O LEU A 35 3.137 3.854 4.725 1.00 1.11 O ATOM 530 CB LEU A 35 1.894 1.134 3.586 1.00 0.62 C ATOM 531 CG LEU A 35 2.752 1.620 2.398 1.00 0.88 C ATOM 532 CD1 LEU A 35 2.286 2.926 1.750 1.00 2.01 C ATOM 533 CD2 LEU A 35 4.254 1.664 2.702 1.00 3.26 C ATOM 0 H LEU A 35 0.501 3.171 3.454 1.00 0.51 H new ATOM 0 HA LEU A 35 1.279 1.418 5.624 1.00 0.58 H new ATOM 0 HB2 LEU A 35 2.370 0.233 3.973 1.00 0.62 H new ATOM 0 HB3 LEU A 35 0.929 0.834 3.178 1.00 0.62 H new ATOM 0 HG LEU A 35 2.588 0.843 1.652 1.00 0.88 H new ATOM 0 HD11 LEU A 35 2.953 3.182 0.927 1.00 2.01 H new ATOM 0 HD12 LEU A 35 1.272 2.802 1.370 1.00 2.01 H new ATOM 0 HD13 LEU A 35 2.301 3.725 2.491 1.00 2.01 H new ATOM 0 HD21 LEU A 35 4.793 2.015 1.822 1.00 3.26 H new ATOM 0 HD22 LEU A 35 4.437 2.344 3.534 1.00 3.26 H new ATOM 0 HD23 LEU A 35 4.601 0.665 2.966 1.00 3.26 H new ATOM 545 N VAL A 36 3.648 2.185 6.131 1.00 0.44 N ATOM 546 CA VAL A 36 4.951 2.734 6.453 1.00 0.44 C ATOM 547 C VAL A 36 5.866 1.680 7.083 1.00 0.50 C ATOM 548 O VAL A 36 5.952 1.570 8.301 1.00 0.67 O ATOM 549 CB VAL A 36 4.791 4.020 7.286 1.00 0.51 C ATOM 550 CG1 VAL A 36 3.873 3.811 8.499 1.00 0.55 C ATOM 551 CG2 VAL A 36 6.157 4.601 7.662 1.00 0.61 C ATOM 0 H VAL A 36 3.403 1.338 6.643 1.00 0.44 H new ATOM 0 HA VAL A 36 5.460 3.026 5.535 1.00 0.44 H new ATOM 0 HB VAL A 36 4.291 4.763 6.665 1.00 0.51 H new ATOM 0 HG11 VAL A 36 3.789 4.744 9.057 1.00 0.55 H new ATOM 0 HG12 VAL A 36 2.885 3.502 8.158 1.00 0.55 H new ATOM 0 HG13 VAL A 36 4.292 3.039 9.144 1.00 0.55 H new ATOM 0 HG21 VAL A 36 6.017 5.508 8.250 1.00 0.61 H new ATOM 0 HG22 VAL A 36 6.714 3.871 8.249 1.00 0.61 H new ATOM 0 HG23 VAL A 36 6.714 4.838 6.755 1.00 0.61 H new ATOM 561 N ALA A 37 6.604 0.922 6.268 1.00 0.59 N ATOM 562 CA ALA A 37 7.685 0.097 6.788 1.00 0.75 C ATOM 563 C ALA A 37 8.742 -0.108 5.705 1.00 0.91 C ATOM 564 O ALA A 37 9.326 -1.187 5.574 1.00 0.96 O ATOM 565 CB ALA A 37 7.141 -1.199 7.401 1.00 0.70 C ATOM 0 H ALA A 37 6.472 0.866 5.258 1.00 0.59 H new ATOM 0 HA ALA A 37 8.185 0.607 7.611 1.00 0.75 H new ATOM 0 HB1 ALA A 37 7.969 -1.797 7.782 1.00 0.70 H new ATOM 0 HB2 ALA A 37 6.462 -0.958 8.218 1.00 0.70 H new ATOM 0 HB3 ALA A 37 6.605 -1.765 6.639 1.00 0.70 H new ATOM 571 N LEU A 38 9.053 0.978 4.984 1.00 1.06 N ATOM 572 CA LEU A 38 10.204 1.050 4.091 1.00 1.26 C ATOM 573 C LEU A 38 11.495 0.807 4.888 1.00 1.40 C ATOM 574 O LEU A 38 12.477 0.303 4.355 1.00 1.50 O ATOM 575 CB LEU A 38 10.220 2.409 3.366 1.00 1.54 C ATOM 576 CG LEU A 38 11.256 2.446 2.224 1.00 1.59 C ATOM 577 CD1 LEU A 38 10.599 2.566 0.842 1.00 2.40 C ATOM 578 CD2 LEU A 38 12.256 3.590 2.396 1.00 2.12 C ATOM 0 H LEU A 38 8.503 1.837 5.009 1.00 1.06 H new ATOM 0 HA LEU A 38 10.133 0.273 3.330 1.00 1.26 H new ATOM 0 HB2 LEU A 38 9.229 2.616 2.962 1.00 1.54 H new ATOM 0 HB3 LEU A 38 10.443 3.199 4.083 1.00 1.54 H new ATOM 0 HG LEU A 38 11.785 1.494 2.280 1.00 1.59 H new ATOM 0 HD11 LEU A 38 11.371 2.588 0.073 1.00 2.40 H new ATOM 0 HD12 LEU A 38 9.944 1.711 0.675 1.00 2.40 H new ATOM 0 HD13 LEU A 38 10.014 3.485 0.796 1.00 2.40 H new ATOM 0 HD21 LEU A 38 12.967 3.579 1.570 1.00 2.12 H new ATOM 0 HD22 LEU A 38 11.723 4.541 2.403 1.00 2.12 H new ATOM 0 HD23 LEU A 38 12.791 3.467 3.337 1.00 2.12 H new ATOM 590 N MET A 39 11.471 1.126 6.186 1.00 1.44 N ATOM 591 CA MET A 39 12.541 0.833 7.128 1.00 1.65 C ATOM 592 C MET A 39 13.012 -0.628 7.085 1.00 1.44 C ATOM 593 O MET A 39 14.178 -0.895 7.363 1.00 1.51 O ATOM 594 CB MET A 39 12.088 1.257 8.534 1.00 1.85 C ATOM 595 CG MET A 39 10.897 0.451 9.084 1.00 2.01 C ATOM 596 SD MET A 39 11.309 -0.669 10.446 1.00 2.78 S ATOM 597 CE MET A 39 9.685 -1.402 10.738 1.00 3.89 C ATOM 0 H MET A 39 10.682 1.608 6.616 1.00 1.44 H new ATOM 0 HA MET A 39 13.419 1.409 6.837 1.00 1.65 H new ATOM 0 HB2 MET A 39 12.929 1.155 9.220 1.00 1.85 H new ATOM 0 HB3 MET A 39 11.819 2.313 8.514 1.00 1.85 H new ATOM 0 HG2 MET A 39 10.130 1.147 9.423 1.00 2.01 H new ATOM 0 HG3 MET A 39 10.463 -0.131 8.271 1.00 2.01 H new ATOM 0 HE1 MET A 39 9.752 -2.123 11.552 1.00 3.89 H new ATOM 0 HE2 MET A 39 8.975 -0.619 11.005 1.00 3.89 H new ATOM 0 HE3 MET A 39 9.346 -1.907 9.834 1.00 3.89 H new ATOM 607 N ALA A 40 12.114 -1.566 6.758 1.00 1.21 N ATOM 608 CA ALA A 40 12.398 -2.997 6.772 1.00 0.95 C ATOM 609 C ALA A 40 12.113 -3.639 5.412 1.00 0.75 C ATOM 610 O ALA A 40 12.903 -4.447 4.933 1.00 0.83 O ATOM 611 CB ALA A 40 11.571 -3.651 7.880 1.00 1.07 C ATOM 0 H ALA A 40 11.160 -1.344 6.474 1.00 1.21 H new ATOM 0 HA ALA A 40 13.458 -3.151 6.972 1.00 0.95 H new ATOM 0 HB1 ALA A 40 11.774 -4.722 7.902 1.00 1.07 H new ATOM 0 HB2 ALA A 40 11.838 -3.212 8.841 1.00 1.07 H new ATOM 0 HB3 ALA A 40 10.511 -3.486 7.688 1.00 1.07 H new ATOM 617 N GLY A 41 10.982 -3.283 4.800 1.00 0.73 N ATOM 618 CA GLY A 41 10.529 -3.787 3.511 1.00 0.75 C ATOM 619 C GLY A 41 9.119 -4.337 3.637 1.00 0.61 C ATOM 620 O GLY A 41 8.850 -5.465 3.237 1.00 0.77 O ATOM 0 H GLY A 41 10.334 -2.609 5.208 1.00 0.73 H new ATOM 0 HA2 GLY A 41 10.552 -2.988 2.770 1.00 0.75 H new ATOM 0 HA3 GLY A 41 11.203 -4.568 3.159 1.00 0.75 H new ATOM 624 N LYS A 42 8.218 -3.531 4.202 1.00 0.56 N ATOM 625 CA LYS A 42 6.851 -3.910 4.515 1.00 0.39 C ATOM 626 C LYS A 42 5.956 -2.681 4.365 1.00 0.36 C ATOM 627 O LYS A 42 6.444 -1.579 4.106 1.00 0.52 O ATOM 628 CB LYS A 42 6.816 -4.481 5.943 1.00 0.62 C ATOM 629 CG LYS A 42 6.915 -6.014 5.952 1.00 0.67 C ATOM 630 CD LYS A 42 5.540 -6.695 5.995 1.00 2.35 C ATOM 631 CE LYS A 42 4.830 -6.423 7.334 1.00 3.16 C ATOM 632 NZ LYS A 42 3.837 -7.468 7.655 1.00 4.81 N ATOM 0 H LYS A 42 8.433 -2.568 4.460 1.00 0.56 H new ATOM 0 HA LYS A 42 6.483 -4.678 3.835 1.00 0.39 H new ATOM 0 HB2 LYS A 42 7.639 -4.061 6.522 1.00 0.62 H new ATOM 0 HB3 LYS A 42 5.892 -4.174 6.434 1.00 0.62 H new ATOM 0 HG2 LYS A 42 7.452 -6.345 5.063 1.00 0.67 H new ATOM 0 HG3 LYS A 42 7.500 -6.331 6.815 1.00 0.67 H new ATOM 0 HD2 LYS A 42 4.924 -6.331 5.173 1.00 2.35 H new ATOM 0 HD3 LYS A 42 5.658 -7.769 5.854 1.00 2.35 H new ATOM 0 HE2 LYS A 42 5.570 -6.368 8.132 1.00 3.16 H new ATOM 0 HE3 LYS A 42 4.335 -5.453 7.291 1.00 3.16 H new ATOM 0 HZ1 LYS A 42 2.932 -7.021 7.906 1.00 4.81 H new ATOM 0 HZ2 LYS A 42 3.702 -8.084 6.828 1.00 4.81 H new ATOM 0 HZ3 LYS A 42 4.177 -8.035 8.458 1.00 4.81 H new ATOM 646 N ALA A 43 4.647 -2.877 4.532 1.00 0.35 N ATOM 647 CA ALA A 43 3.643 -1.856 4.349 1.00 0.37 C ATOM 648 C ALA A 43 2.418 -2.200 5.203 1.00 0.44 C ATOM 649 O ALA A 43 1.959 -3.344 5.195 1.00 0.59 O ATOM 650 CB ALA A 43 3.314 -1.771 2.852 1.00 0.48 C ATOM 0 H ALA A 43 4.257 -3.779 4.806 1.00 0.35 H new ATOM 0 HA ALA A 43 3.998 -0.878 4.674 1.00 0.37 H new ATOM 0 HB1 ALA A 43 2.556 -1.005 2.689 1.00 0.48 H new ATOM 0 HB2 ALA A 43 4.215 -1.514 2.295 1.00 0.48 H new ATOM 0 HB3 ALA A 43 2.937 -2.734 2.507 1.00 0.48 H new ATOM 656 N GLU A 44 1.920 -1.218 5.968 1.00 0.43 N ATOM 657 CA GLU A 44 0.895 -1.431 6.977 1.00 0.58 C ATOM 658 C GLU A 44 -0.247 -0.432 6.821 1.00 0.61 C ATOM 659 O GLU A 44 -0.429 0.467 7.634 1.00 0.73 O ATOM 660 CB GLU A 44 1.538 -1.431 8.369 1.00 0.69 C ATOM 661 CG GLU A 44 2.570 -0.321 8.612 1.00 2.41 C ATOM 662 CD GLU A 44 3.075 -0.452 10.042 1.00 2.70 C ATOM 663 OE1 GLU A 44 2.330 -0.009 10.943 1.00 3.28 O ATOM 664 OE2 GLU A 44 4.139 -1.085 10.205 1.00 2.99 O ATOM 0 H GLU A 44 2.226 -0.248 5.896 1.00 0.43 H new ATOM 0 HA GLU A 44 0.436 -2.410 6.841 1.00 0.58 H new ATOM 0 HB2 GLU A 44 0.749 -1.342 9.116 1.00 0.69 H new ATOM 0 HB3 GLU A 44 2.021 -2.395 8.529 1.00 0.69 H new ATOM 0 HG2 GLU A 44 3.396 -0.408 7.907 1.00 2.41 H new ATOM 0 HG3 GLU A 44 2.119 0.659 8.455 1.00 2.41 H new ATOM 671 N VAL A 45 -1.041 -0.634 5.773 1.00 0.61 N ATOM 672 CA VAL A 45 -2.165 0.225 5.447 1.00 0.61 C ATOM 673 C VAL A 45 -3.362 -0.174 6.317 1.00 0.77 C ATOM 674 O VAL A 45 -3.348 -1.184 7.028 1.00 1.31 O ATOM 675 CB VAL A 45 -2.515 0.129 3.938 1.00 0.72 C ATOM 676 CG1 VAL A 45 -2.168 1.391 3.152 1.00 2.16 C ATOM 677 CG2 VAL A 45 -1.832 -1.019 3.186 1.00 2.23 C ATOM 0 H VAL A 45 -0.917 -1.409 5.122 1.00 0.61 H new ATOM 0 HA VAL A 45 -1.901 1.263 5.651 1.00 0.61 H new ATOM 0 HB VAL A 45 -3.591 -0.038 3.978 1.00 0.72 H new ATOM 0 HG11 VAL A 45 -2.439 1.254 2.105 1.00 2.16 H new ATOM 0 HG12 VAL A 45 -2.719 2.238 3.562 1.00 2.16 H new ATOM 0 HG13 VAL A 45 -1.098 1.584 3.227 1.00 2.16 H new ATOM 0 HG21 VAL A 45 -2.139 -1.003 2.140 1.00 2.23 H new ATOM 0 HG22 VAL A 45 -0.750 -0.902 3.248 1.00 2.23 H new ATOM 0 HG23 VAL A 45 -2.120 -1.970 3.634 1.00 2.23 H new ATOM 687 N ARG A 46 -4.436 0.610 6.247 1.00 0.41 N ATOM 688 CA ARG A 46 -5.720 0.196 6.786 1.00 0.37 C ATOM 689 C ARG A 46 -6.795 0.552 5.776 1.00 0.33 C ATOM 690 O ARG A 46 -6.761 1.660 5.243 1.00 0.37 O ATOM 691 CB ARG A 46 -5.955 0.863 8.141 1.00 0.47 C ATOM 692 CG ARG A 46 -7.149 0.184 8.812 1.00 0.59 C ATOM 693 CD ARG A 46 -7.412 0.749 10.212 1.00 0.84 C ATOM 694 NE ARG A 46 -8.404 1.835 10.194 1.00 1.68 N ATOM 695 CZ ARG A 46 -8.691 2.626 11.241 1.00 2.15 C ATOM 696 NH1 ARG A 46 -7.918 2.601 12.334 1.00 1.81 N ATOM 697 NH2 ARG A 46 -9.758 3.431 11.197 1.00 3.65 N ATOM 0 H ARG A 46 -4.437 1.537 5.820 1.00 0.41 H new ATOM 0 HA ARG A 46 -5.744 -0.881 6.955 1.00 0.37 H new ATOM 0 HB2 ARG A 46 -5.067 0.774 8.767 1.00 0.47 H new ATOM 0 HB3 ARG A 46 -6.148 1.928 8.011 1.00 0.47 H new ATOM 0 HG2 ARG A 46 -8.037 0.316 8.194 1.00 0.59 H new ATOM 0 HG3 ARG A 46 -6.966 -0.888 8.881 1.00 0.59 H new ATOM 0 HD2 ARG A 46 -7.762 -0.050 10.865 1.00 0.84 H new ATOM 0 HD3 ARG A 46 -6.478 1.119 10.634 1.00 0.84 H new ATOM 0 HE ARG A 46 -8.910 1.999 9.324 1.00 1.68 H new ATOM 0 HH11 ARG A 46 -7.109 1.980 12.373 1.00 1.81 H new ATOM 0 HH12 ARG A 46 -8.138 3.203 13.128 1.00 1.81 H new ATOM 0 HH21 ARG A 46 -10.353 3.444 10.369 1.00 3.65 H new ATOM 0 HH22 ARG A 46 -9.977 4.032 11.992 1.00 3.65 H new ATOM 711 N TYR A 47 -7.722 -0.373 5.515 1.00 0.45 N ATOM 712 CA TYR A 47 -8.697 -0.249 4.441 1.00 0.50 C ATOM 713 C TYR A 47 -9.999 -0.941 4.826 1.00 0.50 C ATOM 714 O TYR A 47 -10.192 -1.254 5.999 1.00 0.56 O ATOM 715 CB TYR A 47 -8.107 -0.796 3.133 1.00 0.56 C ATOM 716 CG TYR A 47 -8.335 -2.271 2.845 1.00 0.60 C ATOM 717 CD1 TYR A 47 -8.099 -3.258 3.824 1.00 1.62 C ATOM 718 CD2 TYR A 47 -8.846 -2.653 1.593 1.00 2.26 C ATOM 719 CE1 TYR A 47 -8.155 -4.617 3.480 1.00 1.54 C ATOM 720 CE2 TYR A 47 -9.005 -4.011 1.288 1.00 2.52 C ATOM 721 CZ TYR A 47 -8.581 -4.992 2.198 1.00 1.19 C ATOM 722 OH TYR A 47 -8.698 -6.302 1.867 1.00 1.58 O ATOM 0 H TYR A 47 -7.813 -1.236 6.051 1.00 0.45 H new ATOM 0 HA TYR A 47 -8.931 0.803 4.278 1.00 0.50 H new ATOM 0 HB2 TYR A 47 -8.521 -0.220 2.306 1.00 0.56 H new ATOM 0 HB3 TYR A 47 -7.032 -0.613 3.142 1.00 0.56 H new ATOM 0 HD1 TYR A 47 -7.875 -2.967 4.840 1.00 1.62 H new ATOM 0 HD2 TYR A 47 -9.116 -1.901 0.867 1.00 2.26 H new ATOM 0 HE1 TYR A 47 -7.871 -5.371 4.199 1.00 1.54 H new ATOM 0 HE2 TYR A 47 -9.455 -4.304 0.351 1.00 2.52 H new ATOM 0 HH TYR A 47 -8.922 -6.823 2.666 1.00 1.58 H new ATOM 732 N ASN A 48 -10.879 -1.176 3.848 1.00 0.58 N ATOM 733 CA ASN A 48 -12.223 -1.680 4.065 1.00 0.65 C ATOM 734 C ASN A 48 -12.687 -2.543 2.887 1.00 0.64 C ATOM 735 O ASN A 48 -13.214 -1.985 1.923 1.00 0.68 O ATOM 736 CB ASN A 48 -13.126 -0.452 4.276 1.00 0.74 C ATOM 737 CG ASN A 48 -14.543 -0.820 4.679 1.00 1.32 C ATOM 738 OD1 ASN A 48 -14.815 -1.958 5.033 1.00 1.98 O ATOM 739 ND2 ASN A 48 -15.457 0.144 4.657 1.00 1.78 N ATOM 0 H ASN A 48 -10.664 -1.015 2.864 1.00 0.58 H new ATOM 0 HA ASN A 48 -12.263 -2.331 4.938 1.00 0.65 H new ATOM 0 HB2 ASN A 48 -12.689 0.185 5.045 1.00 0.74 H new ATOM 0 HB3 ASN A 48 -13.156 0.133 3.356 1.00 0.74 H new ATOM 0 HD21 ASN A 48 -16.416 -0.056 4.941 1.00 1.78 H new ATOM 0 HD22 ASN A 48 -15.200 1.084 4.357 1.00 1.78 H new ATOM 746 N PRO A 49 -12.508 -3.881 2.921 1.00 0.69 N ATOM 747 CA PRO A 49 -12.914 -4.776 1.843 1.00 0.76 C ATOM 748 C PRO A 49 -14.437 -4.924 1.855 1.00 0.93 C ATOM 749 O PRO A 49 -15.001 -5.953 2.216 1.00 1.13 O ATOM 750 CB PRO A 49 -12.177 -6.088 2.098 1.00 0.89 C ATOM 751 CG PRO A 49 -12.060 -6.124 3.620 1.00 0.94 C ATOM 752 CD PRO A 49 -11.916 -4.650 4.008 1.00 0.77 C ATOM 0 HA PRO A 49 -12.660 -4.404 0.851 1.00 0.76 H new ATOM 0 HB2 PRO A 49 -12.732 -6.944 1.715 1.00 0.89 H new ATOM 0 HB3 PRO A 49 -11.199 -6.102 1.617 1.00 0.89 H new ATOM 0 HG2 PRO A 49 -12.940 -6.575 4.079 1.00 0.94 H new ATOM 0 HG3 PRO A 49 -11.198 -6.709 3.942 1.00 0.94 H new ATOM 0 HD2 PRO A 49 -12.423 -4.445 4.951 1.00 0.77 H new ATOM 0 HD3 PRO A 49 -10.868 -4.385 4.146 1.00 0.77 H new ATOM 760 N ALA A 50 -15.076 -3.829 1.468 1.00 0.89 N ATOM 761 CA ALA A 50 -16.490 -3.534 1.563 1.00 1.09 C ATOM 762 C ALA A 50 -16.847 -2.635 0.372 1.00 1.09 C ATOM 763 O ALA A 50 -17.855 -2.874 -0.288 1.00 1.46 O ATOM 764 CB ALA A 50 -16.783 -2.883 2.926 1.00 1.37 C ATOM 0 H ALA A 50 -14.566 -3.056 1.041 1.00 0.89 H new ATOM 0 HA ALA A 50 -17.107 -4.431 1.514 1.00 1.09 H new ATOM 0 HB1 ALA A 50 -17.847 -2.659 3.001 1.00 1.37 H new ATOM 0 HB2 ALA A 50 -16.499 -3.568 3.725 1.00 1.37 H new ATOM 0 HB3 ALA A 50 -16.211 -1.960 3.019 1.00 1.37 H new ATOM 770 N VAL A 51 -16.003 -1.632 0.068 1.00 0.95 N ATOM 771 CA VAL A 51 -16.089 -0.820 -1.137 1.00 1.06 C ATOM 772 C VAL A 51 -14.763 -0.868 -1.919 1.00 0.94 C ATOM 773 O VAL A 51 -14.740 -1.278 -3.074 1.00 1.27 O ATOM 774 CB VAL A 51 -16.465 0.613 -0.727 1.00 1.18 C ATOM 775 CG1 VAL A 51 -16.522 1.524 -1.950 1.00 1.40 C ATOM 776 CG2 VAL A 51 -17.831 0.643 -0.027 1.00 1.50 C ATOM 0 H VAL A 51 -15.227 -1.366 0.675 1.00 0.95 H new ATOM 0 HA VAL A 51 -16.857 -1.210 -1.804 1.00 1.06 H new ATOM 0 HB VAL A 51 -15.698 0.968 -0.039 1.00 1.18 H new ATOM 0 HG11 VAL A 51 -16.790 2.534 -1.639 1.00 1.40 H new ATOM 0 HG12 VAL A 51 -15.547 1.541 -2.437 1.00 1.40 H new ATOM 0 HG13 VAL A 51 -17.270 1.149 -2.648 1.00 1.40 H new ATOM 0 HG21 VAL A 51 -18.074 1.668 0.253 1.00 1.50 H new ATOM 0 HG22 VAL A 51 -18.595 0.261 -0.704 1.00 1.50 H new ATOM 0 HG23 VAL A 51 -17.795 0.021 0.868 1.00 1.50 H new ATOM 786 N ILE A 52 -13.669 -0.410 -1.298 1.00 0.63 N ATOM 787 CA ILE A 52 -12.398 -0.112 -1.968 1.00 0.64 C ATOM 788 C ILE A 52 -11.844 -1.284 -2.785 1.00 0.69 C ATOM 789 O ILE A 52 -11.428 -1.095 -3.922 1.00 1.11 O ATOM 790 CB ILE A 52 -11.377 0.459 -0.962 1.00 0.69 C ATOM 791 CG1 ILE A 52 -9.950 0.464 -1.524 1.00 0.96 C ATOM 792 CG2 ILE A 52 -11.423 -0.214 0.416 1.00 0.76 C ATOM 793 CD1 ILE A 52 -9.009 1.203 -0.575 1.00 1.34 C ATOM 0 H ILE A 52 -13.643 -0.233 -0.294 1.00 0.63 H new ATOM 0 HA ILE A 52 -12.601 0.660 -2.711 1.00 0.64 H new ATOM 0 HB ILE A 52 -11.684 1.494 -0.807 1.00 0.69 H new ATOM 0 HG12 ILE A 52 -9.604 -0.560 -1.666 1.00 0.96 H new ATOM 0 HG13 ILE A 52 -9.939 0.942 -2.503 1.00 0.96 H new ATOM 0 HG21 ILE A 52 -10.677 0.241 1.068 1.00 0.76 H new ATOM 0 HG22 ILE A 52 -12.414 -0.084 0.852 1.00 0.76 H new ATOM 0 HG23 ILE A 52 -11.211 -1.278 0.309 1.00 0.76 H new ATOM 0 HD11 ILE A 52 -8.000 1.199 -0.987 1.00 1.34 H new ATOM 0 HD12 ILE A 52 -9.348 2.232 -0.455 1.00 1.34 H new ATOM 0 HD13 ILE A 52 -9.007 0.706 0.395 1.00 1.34 H new ATOM 805 N GLN A 53 -11.841 -2.481 -2.195 1.00 0.57 N ATOM 806 CA GLN A 53 -11.477 -3.754 -2.812 1.00 0.65 C ATOM 807 C GLN A 53 -9.948 -3.987 -2.788 1.00 0.65 C ATOM 808 O GLN A 53 -9.189 -3.178 -3.323 1.00 0.61 O ATOM 809 CB GLN A 53 -12.087 -3.898 -4.227 1.00 0.68 C ATOM 810 CG GLN A 53 -12.859 -5.206 -4.444 1.00 1.46 C ATOM 811 CD GLN A 53 -14.099 -5.290 -3.554 1.00 1.38 C ATOM 812 OE1 GLN A 53 -15.074 -4.582 -3.768 1.00 2.74 O ATOM 813 NE2 GLN A 53 -14.083 -6.157 -2.546 1.00 1.71 N ATOM 0 H GLN A 53 -12.108 -2.592 -1.217 1.00 0.57 H new ATOM 0 HA GLN A 53 -11.914 -4.549 -2.208 1.00 0.65 H new ATOM 0 HB2 GLN A 53 -12.757 -3.058 -4.410 1.00 0.68 H new ATOM 0 HB3 GLN A 53 -11.287 -3.834 -4.965 1.00 0.68 H new ATOM 0 HG2 GLN A 53 -13.157 -5.283 -5.490 1.00 1.46 H new ATOM 0 HG3 GLN A 53 -12.205 -6.053 -4.236 1.00 1.46 H new ATOM 0 HE21 GLN A 53 -13.260 -6.738 -2.386 1.00 1.71 H new ATOM 0 HE22 GLN A 53 -14.894 -6.242 -1.933 1.00 1.71 H new ATOM 822 N PRO A 54 -9.469 -5.098 -2.196 1.00 0.84 N ATOM 823 CA PRO A 54 -8.042 -5.384 -2.093 1.00 0.96 C ATOM 824 C PRO A 54 -7.273 -5.336 -3.421 1.00 1.04 C ATOM 825 O PRO A 54 -6.204 -4.722 -3.461 1.00 1.13 O ATOM 826 CB PRO A 54 -7.895 -6.732 -1.383 1.00 1.22 C ATOM 827 CG PRO A 54 -9.302 -7.324 -1.310 1.00 1.26 C ATOM 828 CD PRO A 54 -10.256 -6.163 -1.586 1.00 1.03 C ATOM 0 HA PRO A 54 -7.576 -4.585 -1.516 1.00 0.96 H new ATOM 0 HB2 PRO A 54 -7.222 -7.391 -1.932 1.00 1.22 H new ATOM 0 HB3 PRO A 54 -7.473 -6.604 -0.386 1.00 1.22 H new ATOM 0 HG2 PRO A 54 -9.430 -8.119 -2.045 1.00 1.26 H new ATOM 0 HG3 PRO A 54 -9.492 -7.762 -0.330 1.00 1.26 H new ATOM 0 HD2 PRO A 54 -11.061 -6.476 -2.250 1.00 1.03 H new ATOM 0 HD3 PRO A 54 -10.721 -5.818 -0.662 1.00 1.03 H new ATOM 836 N PRO A 55 -7.753 -5.954 -4.517 1.00 1.08 N ATOM 837 CA PRO A 55 -7.024 -5.890 -5.766 1.00 1.17 C ATOM 838 C PRO A 55 -6.894 -4.449 -6.251 1.00 1.08 C ATOM 839 O PRO A 55 -5.897 -4.140 -6.895 1.00 1.29 O ATOM 840 CB PRO A 55 -7.773 -6.781 -6.761 1.00 1.27 C ATOM 841 CG PRO A 55 -9.195 -6.792 -6.214 1.00 1.19 C ATOM 842 CD PRO A 55 -8.971 -6.733 -4.704 1.00 1.12 C ATOM 0 HA PRO A 55 -6.001 -6.249 -5.648 1.00 1.17 H new ATOM 0 HB2 PRO A 55 -7.734 -6.377 -7.773 1.00 1.27 H new ATOM 0 HB3 PRO A 55 -7.349 -7.784 -6.802 1.00 1.27 H new ATOM 0 HG2 PRO A 55 -9.774 -5.940 -6.572 1.00 1.19 H new ATOM 0 HG3 PRO A 55 -9.736 -7.691 -6.509 1.00 1.19 H new ATOM 0 HD2 PRO A 55 -9.817 -6.265 -4.201 1.00 1.12 H new ATOM 0 HD3 PRO A 55 -8.864 -7.733 -4.284 1.00 1.12 H new ATOM 850 N MET A 56 -7.844 -3.554 -5.944 1.00 0.87 N ATOM 851 CA MET A 56 -7.739 -2.193 -6.413 1.00 0.83 C ATOM 852 C MET A 56 -6.574 -1.507 -5.701 1.00 0.78 C ATOM 853 O MET A 56 -5.721 -0.947 -6.387 1.00 0.78 O ATOM 854 CB MET A 56 -9.099 -1.493 -6.303 1.00 0.79 C ATOM 855 CG MET A 56 -8.972 0.014 -6.079 1.00 2.82 C ATOM 856 SD MET A 56 -10.424 1.015 -6.503 1.00 3.01 S ATOM 857 CE MET A 56 -10.366 0.927 -8.308 1.00 3.19 C ATOM 0 H MET A 56 -8.672 -3.756 -5.384 1.00 0.87 H new ATOM 0 HA MET A 56 -7.496 -2.147 -7.475 1.00 0.83 H new ATOM 0 HB2 MET A 56 -9.670 -1.674 -7.213 1.00 0.79 H new ATOM 0 HB3 MET A 56 -9.663 -1.932 -5.480 1.00 0.79 H new ATOM 0 HG2 MET A 56 -8.733 0.185 -5.029 1.00 2.82 H new ATOM 0 HG3 MET A 56 -8.125 0.376 -6.661 1.00 2.82 H new ATOM 0 HE1 MET A 56 -11.082 1.633 -8.730 1.00 3.19 H new ATOM 0 HE2 MET A 56 -9.363 1.178 -8.652 1.00 3.19 H new ATOM 0 HE3 MET A 56 -10.618 -0.083 -8.631 1.00 3.19 H new ATOM 867 N ILE A 57 -6.478 -1.569 -4.365 1.00 0.77 N ATOM 868 CA ILE A 57 -5.303 -0.993 -3.715 1.00 0.84 C ATOM 869 C ILE A 57 -4.010 -1.645 -4.193 1.00 0.65 C ATOM 870 O ILE A 57 -3.046 -0.941 -4.494 1.00 0.72 O ATOM 871 CB ILE A 57 -5.377 -0.917 -2.179 1.00 1.20 C ATOM 872 CG1 ILE A 57 -6.188 -2.009 -1.465 1.00 0.93 C ATOM 873 CG2 ILE A 57 -5.870 0.487 -1.853 1.00 2.37 C ATOM 874 CD1 ILE A 57 -6.025 -1.935 0.062 1.00 1.17 C ATOM 0 H ILE A 57 -7.166 -1.992 -3.742 1.00 0.77 H new ATOM 0 HA ILE A 57 -5.297 0.048 -4.038 1.00 0.84 H new ATOM 0 HB ILE A 57 -4.381 -1.117 -1.784 1.00 1.20 H new ATOM 0 HG12 ILE A 57 -7.242 -1.906 -1.723 1.00 0.93 H new ATOM 0 HG13 ILE A 57 -5.867 -2.989 -1.818 1.00 0.93 H new ATOM 0 HG21 ILE A 57 -5.944 0.605 -0.772 1.00 2.37 H new ATOM 0 HG22 ILE A 57 -5.168 1.220 -2.251 1.00 2.37 H new ATOM 0 HG23 ILE A 57 -6.851 0.642 -2.303 1.00 2.37 H new ATOM 0 HD11 ILE A 57 -6.614 -2.724 0.529 1.00 1.17 H new ATOM 0 HD12 ILE A 57 -4.974 -2.064 0.322 1.00 1.17 H new ATOM 0 HD13 ILE A 57 -6.371 -0.965 0.418 1.00 1.17 H new ATOM 886 N ALA A 58 -3.972 -2.976 -4.279 1.00 0.54 N ATOM 887 CA ALA A 58 -2.789 -3.642 -4.785 1.00 0.52 C ATOM 888 C ALA A 58 -2.373 -3.082 -6.149 1.00 0.54 C ATOM 889 O ALA A 58 -1.231 -2.653 -6.315 1.00 0.62 O ATOM 890 CB ALA A 58 -3.028 -5.148 -4.863 1.00 0.60 C ATOM 0 H ALA A 58 -4.735 -3.597 -4.009 1.00 0.54 H new ATOM 0 HA ALA A 58 -1.969 -3.454 -4.093 1.00 0.52 H new ATOM 0 HB1 ALA A 58 -2.133 -5.639 -5.245 1.00 0.60 H new ATOM 0 HB2 ALA A 58 -3.257 -5.532 -3.869 1.00 0.60 H new ATOM 0 HB3 ALA A 58 -3.865 -5.349 -5.531 1.00 0.60 H new ATOM 896 N GLU A 59 -3.296 -3.077 -7.112 1.00 0.58 N ATOM 897 CA GLU A 59 -3.085 -2.526 -8.441 1.00 0.64 C ATOM 898 C GLU A 59 -2.603 -1.084 -8.378 1.00 0.68 C ATOM 899 O GLU A 59 -1.618 -0.755 -9.031 1.00 0.72 O ATOM 900 CB GLU A 59 -4.376 -2.603 -9.245 1.00 0.71 C ATOM 901 CG GLU A 59 -4.616 -4.017 -9.798 1.00 0.82 C ATOM 902 CD GLU A 59 -3.656 -4.357 -10.933 1.00 1.62 C ATOM 903 OE1 GLU A 59 -3.997 -4.007 -12.083 1.00 2.56 O ATOM 904 OE2 GLU A 59 -2.596 -4.949 -10.629 1.00 2.36 O ATOM 0 H GLU A 59 -4.230 -3.466 -6.981 1.00 0.58 H new ATOM 0 HA GLU A 59 -2.312 -3.119 -8.930 1.00 0.64 H new ATOM 0 HB2 GLU A 59 -5.216 -2.311 -8.614 1.00 0.71 H new ATOM 0 HB3 GLU A 59 -4.334 -1.892 -10.070 1.00 0.71 H new ATOM 0 HG2 GLU A 59 -4.500 -4.745 -8.995 1.00 0.82 H new ATOM 0 HG3 GLU A 59 -5.643 -4.097 -10.155 1.00 0.82 H new ATOM 911 N PHE A 60 -3.269 -0.240 -7.583 1.00 0.71 N ATOM 912 CA PHE A 60 -2.830 1.115 -7.289 1.00 0.78 C ATOM 913 C PHE A 60 -1.322 1.144 -7.079 1.00 0.79 C ATOM 914 O PHE A 60 -0.615 1.941 -7.676 1.00 0.95 O ATOM 915 CB PHE A 60 -3.542 1.636 -6.031 1.00 0.88 C ATOM 916 CG PHE A 60 -4.026 3.060 -6.126 1.00 0.96 C ATOM 917 CD1 PHE A 60 -3.144 4.082 -6.520 1.00 2.32 C ATOM 918 CD2 PHE A 60 -5.395 3.341 -5.957 1.00 1.60 C ATOM 919 CE1 PHE A 60 -3.643 5.353 -6.837 1.00 2.34 C ATOM 920 CE2 PHE A 60 -5.889 4.617 -6.260 1.00 1.66 C ATOM 921 CZ PHE A 60 -5.017 5.625 -6.707 1.00 1.10 C ATOM 0 H PHE A 60 -4.143 -0.490 -7.121 1.00 0.71 H new ATOM 0 HA PHE A 60 -3.082 1.757 -8.133 1.00 0.78 H new ATOM 0 HB2 PHE A 60 -4.394 0.990 -5.819 1.00 0.88 H new ATOM 0 HB3 PHE A 60 -2.861 1.554 -5.184 1.00 0.88 H new ATOM 0 HD1 PHE A 60 -2.083 3.888 -6.578 1.00 2.32 H new ATOM 0 HD2 PHE A 60 -6.064 2.574 -5.594 1.00 1.60 H new ATOM 0 HE1 PHE A 60 -2.971 6.125 -7.182 1.00 2.34 H new ATOM 0 HE2 PHE A 60 -6.943 4.827 -6.150 1.00 1.66 H new ATOM 0 HZ PHE A 60 -5.401 6.605 -6.950 1.00 1.10 H new ATOM 931 N ILE A 61 -0.805 0.236 -6.254 1.00 0.71 N ATOM 932 CA ILE A 61 0.611 0.258 -5.919 1.00 0.71 C ATOM 933 C ILE A 61 1.451 -0.155 -7.135 1.00 0.74 C ATOM 934 O ILE A 61 2.591 0.277 -7.295 1.00 0.92 O ATOM 935 CB ILE A 61 0.863 -0.575 -4.654 1.00 0.68 C ATOM 936 CG1 ILE A 61 0.077 0.031 -3.475 1.00 0.64 C ATOM 937 CG2 ILE A 61 2.355 -0.575 -4.315 1.00 0.71 C ATOM 938 CD1 ILE A 61 -0.116 -0.969 -2.339 1.00 0.77 C ATOM 0 H ILE A 61 -1.339 -0.513 -5.812 1.00 0.71 H new ATOM 0 HA ILE A 61 0.931 1.271 -5.675 1.00 0.71 H new ATOM 0 HB ILE A 61 0.534 -1.599 -4.832 1.00 0.68 H new ATOM 0 HG12 ILE A 61 0.606 0.907 -3.100 1.00 0.64 H new ATOM 0 HG13 ILE A 61 -0.897 0.372 -3.826 1.00 0.64 H new ATOM 0 HG21 ILE A 61 2.524 -1.168 -3.416 1.00 0.71 H new ATOM 0 HG22 ILE A 61 2.917 -1.005 -5.144 1.00 0.71 H new ATOM 0 HG23 ILE A 61 2.689 0.448 -4.142 1.00 0.71 H new ATOM 0 HD11 ILE A 61 -0.675 -0.498 -1.530 1.00 0.77 H new ATOM 0 HD12 ILE A 61 -0.668 -1.834 -2.706 1.00 0.77 H new ATOM 0 HD13 ILE A 61 0.857 -1.291 -1.968 1.00 0.77 H new ATOM 950 N ARG A 62 0.885 -0.986 -8.009 1.00 0.69 N ATOM 951 CA ARG A 62 1.469 -1.308 -9.296 1.00 0.76 C ATOM 952 C ARG A 62 1.380 -0.176 -10.322 1.00 0.78 C ATOM 953 O ARG A 62 1.911 -0.365 -11.414 1.00 0.81 O ATOM 954 CB ARG A 62 0.935 -2.630 -9.872 1.00 0.87 C ATOM 955 CG ARG A 62 0.641 -3.736 -8.852 1.00 0.78 C ATOM 956 CD ARG A 62 1.694 -3.920 -7.755 1.00 2.66 C ATOM 957 NE ARG A 62 2.278 -5.265 -7.802 1.00 2.80 N ATOM 958 CZ ARG A 62 1.618 -6.387 -7.471 1.00 3.26 C ATOM 959 NH1 ARG A 62 0.375 -6.295 -6.981 1.00 3.79 N ATOM 960 NH2 ARG A 62 2.189 -7.584 -7.639 1.00 3.62 N ATOM 0 H ARG A 62 -0.003 -1.457 -7.834 1.00 0.69 H new ATOM 0 HA ARG A 62 2.531 -1.442 -9.090 1.00 0.76 H new ATOM 0 HB2 ARG A 62 0.019 -2.419 -10.424 1.00 0.87 H new ATOM 0 HB3 ARG A 62 1.661 -3.010 -10.591 1.00 0.87 H new ATOM 0 HG2 ARG A 62 -0.318 -3.524 -8.379 1.00 0.78 H new ATOM 0 HG3 ARG A 62 0.531 -4.679 -9.387 1.00 0.78 H new ATOM 0 HD2 ARG A 62 2.480 -3.175 -7.873 1.00 2.66 H new ATOM 0 HD3 ARG A 62 1.239 -3.752 -6.779 1.00 2.66 H new ATOM 0 HE ARG A 62 3.248 -5.354 -8.106 1.00 2.80 H new ATOM 0 HH11 ARG A 62 -0.060 -5.380 -6.863 1.00 3.79 H new ATOM 0 HH12 ARG A 62 -0.136 -7.140 -6.726 1.00 3.79 H new ATOM 0 HH21 ARG A 62 3.132 -7.650 -8.021 1.00 3.62 H new ATOM 0 HH22 ARG A 62 1.681 -8.431 -7.385 1.00 3.62 H new ATOM 974 N GLU A 63 0.726 0.963 -10.047 1.00 0.88 N ATOM 975 CA GLU A 63 0.630 2.046 -11.027 1.00 0.82 C ATOM 976 C GLU A 63 2.017 2.432 -11.575 1.00 0.79 C ATOM 977 O GLU A 63 2.164 2.676 -12.771 1.00 0.72 O ATOM 978 CB GLU A 63 -0.177 3.237 -10.467 1.00 0.90 C ATOM 979 CG GLU A 63 0.568 4.065 -9.405 1.00 2.40 C ATOM 980 CD GLU A 63 -0.329 5.009 -8.601 1.00 3.50 C ATOM 981 OE1 GLU A 63 -1.314 5.494 -9.198 1.00 3.58 O ATOM 982 OE2 GLU A 63 -0.010 5.255 -7.410 1.00 4.88 O ATOM 0 H GLU A 63 0.260 1.154 -9.160 1.00 0.88 H new ATOM 0 HA GLU A 63 0.066 1.687 -11.888 1.00 0.82 H new ATOM 0 HB2 GLU A 63 -0.455 3.892 -11.292 1.00 0.90 H new ATOM 0 HB3 GLU A 63 -1.103 2.861 -10.033 1.00 0.90 H new ATOM 0 HG2 GLU A 63 1.070 3.385 -8.717 1.00 2.40 H new ATOM 0 HG3 GLU A 63 1.345 4.651 -9.897 1.00 2.40 H new ATOM 989 N LEU A 64 3.047 2.426 -10.714 1.00 0.96 N ATOM 990 CA LEU A 64 4.444 2.665 -11.077 1.00 1.04 C ATOM 991 C LEU A 64 5.262 1.367 -11.230 1.00 0.73 C ATOM 992 O LEU A 64 6.486 1.411 -11.310 1.00 0.81 O ATOM 993 CB LEU A 64 5.077 3.597 -10.034 1.00 1.75 C ATOM 994 CG LEU A 64 4.874 3.077 -8.598 1.00 1.42 C ATOM 995 CD1 LEU A 64 6.074 3.438 -7.733 1.00 2.39 C ATOM 996 CD2 LEU A 64 3.619 3.655 -7.937 1.00 1.48 C ATOM 0 H LEU A 64 2.922 2.249 -9.717 1.00 0.96 H new ATOM 0 HA LEU A 64 4.458 3.137 -12.059 1.00 1.04 H new ATOM 0 HB2 LEU A 64 6.143 3.697 -10.236 1.00 1.75 H new ATOM 0 HB3 LEU A 64 4.641 4.592 -10.125 1.00 1.75 H new ATOM 0 HG LEU A 64 4.760 1.996 -8.675 1.00 1.42 H new ATOM 0 HD11 LEU A 64 5.918 3.065 -6.721 1.00 2.39 H new ATOM 0 HD12 LEU A 64 6.973 2.986 -8.152 1.00 2.39 H new ATOM 0 HD13 LEU A 64 6.191 4.521 -7.706 1.00 2.39 H new ATOM 0 HD21 LEU A 64 3.523 3.256 -6.927 1.00 1.48 H new ATOM 0 HD22 LEU A 64 3.699 4.741 -7.892 1.00 1.48 H new ATOM 0 HD23 LEU A 64 2.741 3.380 -8.521 1.00 1.48 H new ATOM 1008 N GLY A 65 4.606 0.206 -11.279 1.00 0.65 N ATOM 1009 CA GLY A 65 5.221 -1.071 -11.623 1.00 0.61 C ATOM 1010 C GLY A 65 6.031 -1.710 -10.493 1.00 0.60 C ATOM 1011 O GLY A 65 7.038 -2.365 -10.755 1.00 0.70 O ATOM 0 H GLY A 65 3.609 0.129 -11.075 1.00 0.65 H new ATOM 0 HA2 GLY A 65 4.439 -1.765 -11.930 1.00 0.61 H new ATOM 0 HA3 GLY A 65 5.874 -0.925 -12.484 1.00 0.61 H new ATOM 1015 N PHE A 66 5.597 -1.562 -9.237 1.00 0.67 N ATOM 1016 CA PHE A 66 6.274 -2.172 -8.093 1.00 0.76 C ATOM 1017 C PHE A 66 5.837 -3.622 -7.850 1.00 0.63 C ATOM 1018 O PHE A 66 4.710 -4.027 -8.138 1.00 0.57 O ATOM 1019 CB PHE A 66 6.052 -1.314 -6.837 1.00 0.91 C ATOM 1020 CG PHE A 66 6.974 -0.117 -6.663 1.00 1.04 C ATOM 1021 CD1 PHE A 66 7.843 0.308 -7.690 1.00 1.61 C ATOM 1022 CD2 PHE A 66 7.037 0.507 -5.403 1.00 2.54 C ATOM 1023 CE1 PHE A 66 8.832 1.268 -7.424 1.00 1.86 C ATOM 1024 CE2 PHE A 66 8.002 1.498 -5.150 1.00 2.90 C ATOM 1025 CZ PHE A 66 8.917 1.858 -6.153 1.00 1.98 C ATOM 0 H PHE A 66 4.771 -1.018 -8.988 1.00 0.67 H new ATOM 0 HA PHE A 66 7.339 -2.208 -8.324 1.00 0.76 H new ATOM 0 HB2 PHE A 66 5.023 -0.954 -6.847 1.00 0.91 H new ATOM 0 HB3 PHE A 66 6.157 -1.956 -5.962 1.00 0.91 H new ATOM 0 HD1 PHE A 66 7.747 -0.106 -8.683 1.00 1.61 H new ATOM 0 HD2 PHE A 66 6.341 0.223 -4.627 1.00 2.54 H new ATOM 0 HE1 PHE A 66 9.529 1.553 -8.198 1.00 1.86 H new ATOM 0 HE2 PHE A 66 8.040 1.982 -4.185 1.00 2.90 H new ATOM 0 HZ PHE A 66 9.685 2.588 -5.947 1.00 1.98 H new ATOM 1035 N GLY A 67 6.725 -4.412 -7.247 1.00 0.66 N ATOM 1036 CA GLY A 67 6.424 -5.773 -6.842 1.00 0.67 C ATOM 1037 C GLY A 67 5.739 -5.766 -5.480 1.00 0.64 C ATOM 1038 O GLY A 67 6.336 -6.190 -4.492 1.00 0.68 O ATOM 0 H GLY A 67 7.677 -4.118 -7.027 1.00 0.66 H new ATOM 0 HA2 GLY A 67 5.779 -6.248 -7.581 1.00 0.67 H new ATOM 0 HA3 GLY A 67 7.341 -6.360 -6.795 1.00 0.67 H new ATOM 1042 N ALA A 68 4.496 -5.275 -5.422 1.00 0.62 N ATOM 1043 CA ALA A 68 3.724 -5.305 -4.183 1.00 0.58 C ATOM 1044 C ALA A 68 3.051 -6.668 -4.014 1.00 0.55 C ATOM 1045 O ALA A 68 3.006 -7.461 -4.955 1.00 0.63 O ATOM 1046 CB ALA A 68 2.686 -4.185 -4.172 1.00 0.69 C ATOM 0 H ALA A 68 4.009 -4.856 -6.214 1.00 0.62 H new ATOM 0 HA ALA A 68 4.402 -5.148 -3.344 1.00 0.58 H new ATOM 0 HB1 ALA A 68 2.120 -4.223 -3.241 1.00 0.69 H new ATOM 0 HB2 ALA A 68 3.189 -3.222 -4.252 1.00 0.69 H new ATOM 0 HB3 ALA A 68 2.007 -4.310 -5.015 1.00 0.69 H new ATOM 1052 N THR A 69 2.487 -6.944 -2.838 1.00 0.60 N ATOM 1053 CA THR A 69 1.725 -8.151 -2.573 1.00 0.66 C ATOM 1054 C THR A 69 0.805 -7.828 -1.401 1.00 0.70 C ATOM 1055 O THR A 69 1.294 -7.499 -0.322 1.00 0.75 O ATOM 1056 CB THR A 69 2.631 -9.379 -2.400 1.00 0.73 C ATOM 1057 OG1 THR A 69 1.866 -10.553 -2.228 1.00 1.48 O ATOM 1058 CG2 THR A 69 3.563 -9.230 -1.211 1.00 1.44 C ATOM 0 H THR A 69 2.552 -6.321 -2.033 1.00 0.60 H new ATOM 0 HA THR A 69 1.105 -8.446 -3.420 1.00 0.66 H new ATOM 0 HB THR A 69 3.226 -9.455 -3.310 1.00 0.73 H new ATOM 0 HG1 THR A 69 2.465 -11.321 -2.122 1.00 1.48 H new ATOM 0 HG21 THR A 69 4.187 -10.120 -1.124 1.00 1.44 H new ATOM 0 HG22 THR A 69 4.197 -8.355 -1.353 1.00 1.44 H new ATOM 0 HG23 THR A 69 2.975 -9.108 -0.301 1.00 1.44 H new ATOM 1066 N VAL A 70 -0.504 -7.799 -1.655 1.00 0.79 N ATOM 1067 CA VAL A 70 -1.536 -7.468 -0.682 1.00 0.79 C ATOM 1068 C VAL A 70 -1.983 -8.771 -0.029 1.00 0.79 C ATOM 1069 O VAL A 70 -2.135 -9.769 -0.733 1.00 0.77 O ATOM 1070 CB VAL A 70 -2.676 -6.730 -1.408 1.00 0.79 C ATOM 1071 CG1 VAL A 70 -3.539 -7.667 -2.276 1.00 0.82 C ATOM 1072 CG2 VAL A 70 -3.625 -6.004 -0.444 1.00 0.88 C ATOM 0 H VAL A 70 -0.884 -8.013 -2.577 1.00 0.79 H new ATOM 0 HA VAL A 70 -1.177 -6.803 0.103 1.00 0.79 H new ATOM 0 HB VAL A 70 -2.160 -6.007 -2.040 1.00 0.79 H new ATOM 0 HG11 VAL A 70 -4.326 -7.090 -2.763 1.00 0.82 H new ATOM 0 HG12 VAL A 70 -2.914 -8.139 -3.034 1.00 0.82 H new ATOM 0 HG13 VAL A 70 -3.989 -8.435 -1.646 1.00 0.82 H new ATOM 0 HG21 VAL A 70 -4.408 -5.502 -1.013 1.00 0.88 H new ATOM 0 HG22 VAL A 70 -4.077 -6.727 0.235 1.00 0.88 H new ATOM 0 HG23 VAL A 70 -3.065 -5.267 0.131 1.00 0.88 H new ATOM 1082 N ILE A 71 -2.136 -8.783 1.295 1.00 0.88 N ATOM 1083 CA ILE A 71 -2.558 -9.960 2.036 1.00 0.94 C ATOM 1084 C ILE A 71 -3.374 -9.507 3.250 1.00 0.92 C ATOM 1085 O ILE A 71 -3.122 -8.442 3.815 1.00 0.72 O ATOM 1086 CB ILE A 71 -1.342 -10.834 2.423 1.00 1.01 C ATOM 1087 CG1 ILE A 71 -0.288 -10.096 3.271 1.00 1.12 C ATOM 1088 CG2 ILE A 71 -0.631 -11.410 1.191 1.00 1.66 C ATOM 1089 CD1 ILE A 71 -0.396 -10.463 4.749 1.00 2.10 C ATOM 0 H ILE A 71 -1.968 -7.967 1.883 1.00 0.88 H new ATOM 0 HA ILE A 71 -3.193 -10.591 1.414 1.00 0.94 H new ATOM 0 HB ILE A 71 -1.774 -11.634 3.024 1.00 1.01 H new ATOM 0 HG12 ILE A 71 0.709 -10.342 2.907 1.00 1.12 H new ATOM 0 HG13 ILE A 71 -0.414 -9.020 3.153 1.00 1.12 H new ATOM 0 HG21 ILE A 71 0.216 -12.017 1.510 1.00 1.66 H new ATOM 0 HG22 ILE A 71 -1.327 -12.029 0.625 1.00 1.66 H new ATOM 0 HG23 ILE A 71 -0.276 -10.594 0.561 1.00 1.66 H new ATOM 0 HD11 ILE A 71 0.363 -9.923 5.314 1.00 2.10 H new ATOM 0 HD12 ILE A 71 -1.385 -10.193 5.120 1.00 2.10 H new ATOM 0 HD13 ILE A 71 -0.244 -11.536 4.870 1.00 2.10 H new