USER MOD reduce.3.24.130724 H: found=0, std=0, add=520, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 522 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 2 SER OG : rot -21:sc= 0.297 USER MOD Single : A 3 SER OG : rot 87:sc= 1.12 USER MOD Single : A 4 LYS NZ :NH3+ -160:sc= 1.07 (180deg=0.9) USER MOD Single : A 5 CYS SG : rot 180:sc= -0.0641 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -0.0819 K(o=-0.082,f=-1) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 31:sc= 0.269 USER MOD Single : A 17 CYS SG : rot 180:sc= -0.501 USER MOD Single : A 20 ASN : amide:sc= -0.243 X(o=-0.24,f=0) USER MOD Single : A 24 ASN : amide:sc= -2! K(o=-2!,f=-0.26) 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 -170:sc= 0 (180deg=-0.132) USER MOD Single : A 42 LYS NZ :NH3+ 159:sc= 0 (180deg=-0.222) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -0.257 K(o=-0.26,f=-1.8) USER MOD Single : A 53 GLN : amide:sc= -0.0587 X(o=-0.059,f=-0.036) USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 29:sc= 0.64 USER MOD ----------------------------------------------------------------- ATOM 17 N SER A 2 -13.314 -2.438 9.337 1.00 1.56 N ATOM 18 CA SER A 2 -12.152 -2.084 8.537 1.00 1.06 C ATOM 19 C SER A 2 -10.969 -2.896 9.050 1.00 0.90 C ATOM 20 O SER A 2 -11.013 -3.356 10.190 1.00 1.26 O ATOM 21 CB SER A 2 -11.900 -0.569 8.615 1.00 1.27 C ATOM 22 OG SER A 2 -12.044 -0.079 9.940 1.00 2.08 O ATOM 0 HA SER A 2 -12.311 -2.319 7.484 1.00 1.06 H new ATOM 0 HB2 SER A 2 -10.896 -0.348 8.253 1.00 1.27 H new ATOM 0 HB3 SER A 2 -12.597 -0.050 7.957 1.00 1.27 H new ATOM 0 HG SER A 2 -12.592 -0.702 10.461 1.00 2.08 H new ATOM 28 N SER A 3 -9.940 -3.080 8.224 1.00 0.75 N ATOM 29 CA SER A 3 -8.841 -3.996 8.496 1.00 0.75 C ATOM 30 C SER A 3 -7.534 -3.393 7.981 1.00 0.64 C ATOM 31 O SER A 3 -7.547 -2.418 7.231 1.00 0.59 O ATOM 32 CB SER A 3 -9.148 -5.356 7.843 1.00 0.95 C ATOM 33 OG SER A 3 -9.764 -5.172 6.581 1.00 1.88 O ATOM 0 H SER A 3 -9.848 -2.588 7.335 1.00 0.75 H new ATOM 0 HA SER A 3 -8.729 -4.154 9.569 1.00 0.75 H new ATOM 0 HB2 SER A 3 -8.226 -5.926 7.725 1.00 0.95 H new ATOM 0 HB3 SER A 3 -9.802 -5.939 8.492 1.00 0.95 H new ATOM 0 HG SER A 3 -9.074 -5.067 5.893 1.00 1.88 H new ATOM 39 N LYS A 4 -6.400 -3.958 8.404 1.00 0.71 N ATOM 40 CA LYS A 4 -5.102 -3.645 7.827 1.00 0.72 C ATOM 41 C LYS A 4 -4.875 -4.576 6.640 1.00 0.61 C ATOM 42 O LYS A 4 -4.864 -5.792 6.815 1.00 0.88 O ATOM 43 CB LYS A 4 -3.985 -3.744 8.881 1.00 0.97 C ATOM 44 CG LYS A 4 -3.472 -2.339 9.232 1.00 1.92 C ATOM 45 CD LYS A 4 -2.339 -2.386 10.265 1.00 2.66 C ATOM 46 CE LYS A 4 -1.839 -0.961 10.552 1.00 3.47 C ATOM 47 NZ LYS A 4 -0.679 -0.942 11.468 1.00 3.85 N ATOM 0 H LYS A 4 -6.362 -4.645 9.157 1.00 0.71 H new ATOM 0 HA LYS A 4 -5.081 -2.614 7.475 1.00 0.72 H new ATOM 0 HB2 LYS A 4 -4.361 -4.238 9.777 1.00 0.97 H new ATOM 0 HB3 LYS A 4 -3.167 -4.355 8.500 1.00 0.97 H new ATOM 0 HG2 LYS A 4 -3.118 -1.845 8.327 1.00 1.92 H new ATOM 0 HG3 LYS A 4 -4.294 -1.739 9.622 1.00 1.92 H new ATOM 0 HD2 LYS A 4 -2.693 -2.850 11.186 1.00 2.66 H new ATOM 0 HD3 LYS A 4 -1.520 -3.001 9.893 1.00 2.66 H new ATOM 0 HE2 LYS A 4 -1.565 -0.480 9.613 1.00 3.47 H new ATOM 0 HE3 LYS A 4 -2.650 -0.375 10.985 1.00 3.47 H new ATOM 0 HZ1 LYS A 4 -0.590 0.002 11.895 1.00 3.85 H new ATOM 0 HZ2 LYS A 4 -0.817 -1.650 12.218 1.00 3.85 H new ATOM 0 HZ3 LYS A 4 0.187 -1.165 10.937 1.00 3.85 H new ATOM 61 N CYS A 5 -4.703 -4.005 5.447 1.00 0.60 N ATOM 62 CA CYS A 5 -4.290 -4.748 4.271 1.00 0.66 C ATOM 63 C CYS A 5 -2.770 -4.823 4.320 1.00 0.66 C ATOM 64 O CYS A 5 -2.097 -3.793 4.410 1.00 0.71 O ATOM 65 CB CYS A 5 -4.746 -4.048 2.991 1.00 0.82 C ATOM 66 SG CYS A 5 -4.810 -5.273 1.672 1.00 1.75 S ATOM 0 H CYS A 5 -4.849 -3.010 5.276 1.00 0.60 H new ATOM 0 HA CYS A 5 -4.738 -5.742 4.265 1.00 0.66 H new ATOM 0 HB2 CYS A 5 -5.726 -3.593 3.135 1.00 0.82 H new ATOM 0 HB3 CYS A 5 -4.057 -3.245 2.731 1.00 0.82 H new ATOM 0 HG CYS A 5 -5.198 -4.704 0.570 1.00 1.75 H new ATOM 72 N TYR A 6 -2.224 -6.034 4.339 1.00 0.64 N ATOM 73 CA TYR A 6 -0.808 -6.250 4.566 1.00 0.58 C ATOM 74 C TYR A 6 -0.182 -6.367 3.183 1.00 0.56 C ATOM 75 O TYR A 6 -0.556 -7.239 2.408 1.00 0.73 O ATOM 76 CB TYR A 6 -0.649 -7.514 5.421 1.00 0.72 C ATOM 77 CG TYR A 6 0.616 -7.618 6.254 1.00 1.10 C ATOM 78 CD1 TYR A 6 1.888 -7.480 5.664 1.00 2.67 C ATOM 79 CD2 TYR A 6 0.516 -7.979 7.612 1.00 1.74 C ATOM 80 CE1 TYR A 6 3.046 -7.675 6.436 1.00 3.28 C ATOM 81 CE2 TYR A 6 1.675 -8.183 8.379 1.00 2.17 C ATOM 82 CZ TYR A 6 2.941 -8.028 7.791 1.00 2.57 C ATOM 83 OH TYR A 6 4.068 -8.239 8.529 1.00 3.35 O ATOM 0 H TYR A 6 -2.756 -6.893 4.197 1.00 0.64 H new ATOM 0 HA TYR A 6 -0.314 -5.445 5.110 1.00 0.58 H new ATOM 0 HB2 TYR A 6 -1.505 -7.581 6.092 1.00 0.72 H new ATOM 0 HB3 TYR A 6 -0.694 -8.380 4.760 1.00 0.72 H new ATOM 0 HD1 TYR A 6 1.973 -7.224 4.618 1.00 2.67 H new ATOM 0 HD2 TYR A 6 -0.457 -8.100 8.066 1.00 1.74 H new ATOM 0 HE1 TYR A 6 4.020 -7.553 5.986 1.00 3.28 H new ATOM 0 HE2 TYR A 6 1.593 -8.459 9.420 1.00 2.17 H new ATOM 0 HH TYR A 6 3.819 -8.474 9.447 1.00 3.35 H new ATOM 93 N ILE A 7 0.735 -5.475 2.827 1.00 0.45 N ATOM 94 CA ILE A 7 1.419 -5.530 1.545 1.00 0.41 C ATOM 95 C ILE A 7 2.891 -5.750 1.878 1.00 0.37 C ATOM 96 O ILE A 7 3.399 -5.228 2.873 1.00 0.40 O ATOM 97 CB ILE A 7 1.166 -4.272 0.671 1.00 0.46 C ATOM 98 CG1 ILE A 7 -0.014 -3.395 1.126 1.00 0.82 C ATOM 99 CG2 ILE A 7 0.969 -4.637 -0.815 1.00 0.46 C ATOM 100 CD1 ILE A 7 -1.374 -4.055 0.890 1.00 1.23 C ATOM 0 H ILE A 7 1.023 -4.696 3.419 1.00 0.45 H new ATOM 0 HA ILE A 7 1.036 -6.341 0.926 1.00 0.41 H new ATOM 0 HB ILE A 7 2.073 -3.681 0.801 1.00 0.46 H new ATOM 0 HG12 ILE A 7 0.095 -3.170 2.187 1.00 0.82 H new ATOM 0 HG13 ILE A 7 0.020 -2.445 0.593 1.00 0.82 H new ATOM 0 HG21 ILE A 7 0.795 -3.729 -1.393 1.00 0.46 H new ATOM 0 HG22 ILE A 7 1.862 -5.139 -1.188 1.00 0.46 H new ATOM 0 HG23 ILE A 7 0.111 -5.302 -0.916 1.00 0.46 H new ATOM 0 HD11 ILE A 7 -2.166 -3.388 1.231 1.00 1.23 H new ATOM 0 HD12 ILE A 7 -1.501 -4.256 -0.174 1.00 1.23 H new ATOM 0 HD13 ILE A 7 -1.425 -4.992 1.444 1.00 1.23 H new ATOM 112 N GLN A 8 3.583 -6.541 1.069 1.00 0.44 N ATOM 113 CA GLN A 8 5.030 -6.582 1.084 1.00 0.50 C ATOM 114 C GLN A 8 5.524 -6.159 -0.297 1.00 0.50 C ATOM 115 O GLN A 8 4.792 -6.281 -1.283 1.00 0.47 O ATOM 116 CB GLN A 8 5.498 -7.957 1.572 1.00 0.58 C ATOM 117 CG GLN A 8 7.005 -7.958 1.873 1.00 1.56 C ATOM 118 CD GLN A 8 7.393 -8.899 3.014 1.00 1.42 C ATOM 119 OE1 GLN A 8 6.658 -9.070 3.980 1.00 1.58 O ATOM 120 NE2 GLN A 8 8.584 -9.487 2.948 1.00 2.43 N ATOM 0 H GLN A 8 3.155 -7.168 0.388 1.00 0.44 H new ATOM 0 HA GLN A 8 5.470 -5.879 1.792 1.00 0.50 H new ATOM 0 HB2 GLN A 8 4.945 -8.234 2.470 1.00 0.58 H new ATOM 0 HB3 GLN A 8 5.275 -8.709 0.815 1.00 0.58 H new ATOM 0 HG2 GLN A 8 7.548 -8.246 0.973 1.00 1.56 H new ATOM 0 HG3 GLN A 8 7.319 -6.945 2.124 1.00 1.56 H new ATOM 0 HE21 GLN A 8 9.184 -9.335 2.137 1.00 2.43 H new ATOM 0 HE22 GLN A 8 8.898 -10.090 3.708 1.00 2.43 H new ATOM 129 N VAL A 9 6.726 -5.575 -0.328 1.00 0.57 N ATOM 130 CA VAL A 9 7.368 -5.032 -1.518 1.00 0.63 C ATOM 131 C VAL A 9 8.855 -5.344 -1.395 1.00 0.68 C ATOM 132 O VAL A 9 9.401 -5.271 -0.295 1.00 0.90 O ATOM 133 CB VAL A 9 7.138 -3.509 -1.590 1.00 0.74 C ATOM 134 CG1 VAL A 9 8.085 -2.806 -2.574 1.00 1.89 C ATOM 135 CG2 VAL A 9 5.697 -3.178 -1.998 1.00 1.89 C ATOM 0 H VAL A 9 7.296 -5.466 0.511 1.00 0.57 H new ATOM 0 HA VAL A 9 6.956 -5.470 -2.427 1.00 0.63 H new ATOM 0 HB VAL A 9 7.341 -3.141 -0.584 1.00 0.74 H new ATOM 0 HG11 VAL A 9 7.875 -1.737 -2.580 1.00 1.89 H new ATOM 0 HG12 VAL A 9 9.118 -2.971 -2.266 1.00 1.89 H new ATOM 0 HG13 VAL A 9 7.936 -3.211 -3.575 1.00 1.89 H new ATOM 0 HG21 VAL A 9 5.570 -2.096 -2.039 1.00 1.89 H new ATOM 0 HG22 VAL A 9 5.489 -3.605 -2.979 1.00 1.89 H new ATOM 0 HG23 VAL A 9 5.006 -3.597 -1.266 1.00 1.89 H new ATOM 145 N THR A 10 9.515 -5.666 -2.510 1.00 0.69 N ATOM 146 CA THR A 10 10.947 -5.924 -2.535 1.00 0.83 C ATOM 147 C THR A 10 11.667 -4.713 -3.122 1.00 0.82 C ATOM 148 O THR A 10 11.895 -4.647 -4.328 1.00 0.92 O ATOM 149 CB THR A 10 11.220 -7.225 -3.303 1.00 1.05 C ATOM 150 OG1 THR A 10 10.384 -8.243 -2.786 1.00 2.25 O ATOM 151 CG2 THR A 10 12.679 -7.668 -3.155 1.00 2.53 C ATOM 0 H THR A 10 9.065 -5.754 -3.421 1.00 0.69 H new ATOM 0 HA THR A 10 11.336 -6.067 -1.527 1.00 0.83 H new ATOM 0 HB THR A 10 11.018 -7.048 -4.359 1.00 1.05 H new ATOM 0 HG1 THR A 10 10.548 -9.079 -3.270 1.00 2.25 H new ATOM 0 HG21 THR A 10 12.837 -8.592 -3.711 1.00 2.53 H new ATOM 0 HG22 THR A 10 13.336 -6.892 -3.547 1.00 2.53 H new ATOM 0 HG23 THR A 10 12.903 -7.836 -2.102 1.00 2.53 H new ATOM 218 N SER A 16 12.560 7.705 -1.408 1.00 0.96 N ATOM 219 CA SER A 16 11.239 8.265 -1.152 1.00 0.96 C ATOM 220 C SER A 16 10.181 7.584 -2.021 1.00 1.05 C ATOM 221 O SER A 16 9.148 8.185 -2.312 1.00 1.98 O ATOM 222 CB SER A 16 11.274 9.775 -1.420 1.00 1.32 C ATOM 223 OG SER A 16 12.370 10.364 -0.745 1.00 1.38 O ATOM 0 HA SER A 16 10.970 8.090 -0.110 1.00 0.96 H new ATOM 0 HB2 SER A 16 11.355 9.960 -2.491 1.00 1.32 H new ATOM 0 HB3 SER A 16 10.343 10.233 -1.086 1.00 1.32 H new ATOM 0 HG SER A 16 13.101 9.715 -0.679 1.00 1.38 H new ATOM 229 N CYS A 17 10.430 6.338 -2.447 1.00 0.78 N ATOM 230 CA CYS A 17 9.485 5.620 -3.296 1.00 0.89 C ATOM 231 C CYS A 17 8.147 5.484 -2.573 1.00 0.81 C ATOM 232 O CYS A 17 7.107 5.800 -3.141 1.00 0.95 O ATOM 233 CB CYS A 17 10.045 4.275 -3.795 1.00 1.00 C ATOM 234 SG CYS A 17 10.070 3.006 -2.515 1.00 3.00 S ATOM 0 H CYS A 17 11.274 5.814 -2.216 1.00 0.78 H new ATOM 0 HA CYS A 17 9.318 6.203 -4.202 1.00 0.89 H new ATOM 0 HB2 CYS A 17 9.443 3.926 -4.634 1.00 1.00 H new ATOM 0 HB3 CYS A 17 11.057 4.426 -4.170 1.00 1.00 H new ATOM 0 HG CYS A 17 10.551 1.903 -3.007 1.00 3.00 H new ATOM 240 N VAL A 18 8.169 5.090 -1.295 1.00 0.65 N ATOM 241 CA VAL A 18 6.952 4.893 -0.529 1.00 0.61 C ATOM 242 C VAL A 18 6.226 6.215 -0.358 1.00 0.59 C ATOM 243 O VAL A 18 5.034 6.285 -0.605 1.00 0.64 O ATOM 244 CB VAL A 18 7.256 4.185 0.800 1.00 0.62 C ATOM 245 CG1 VAL A 18 7.800 5.078 1.921 1.00 1.69 C ATOM 246 CG2 VAL A 18 6.015 3.429 1.297 1.00 1.84 C ATOM 0 H VAL A 18 9.026 4.903 -0.775 1.00 0.65 H new ATOM 0 HA VAL A 18 6.277 4.233 -1.073 1.00 0.61 H new ATOM 0 HB VAL A 18 8.068 3.498 0.563 1.00 0.62 H new ATOM 0 HG11 VAL A 18 7.979 4.476 2.812 1.00 1.69 H new ATOM 0 HG12 VAL A 18 8.735 5.537 1.599 1.00 1.69 H new ATOM 0 HG13 VAL A 18 7.073 5.857 2.150 1.00 1.69 H new ATOM 0 HG21 VAL A 18 6.245 2.932 2.239 1.00 1.84 H new ATOM 0 HG22 VAL A 18 5.196 4.133 1.448 1.00 1.84 H new ATOM 0 HG23 VAL A 18 5.722 2.685 0.557 1.00 1.84 H new ATOM 256 N ALA A 19 6.957 7.261 0.017 1.00 0.60 N ATOM 257 CA ALA A 19 6.412 8.587 0.304 1.00 0.61 C ATOM 258 C ALA A 19 5.402 9.066 -0.748 1.00 0.59 C ATOM 259 O ALA A 19 4.350 9.613 -0.411 1.00 0.59 O ATOM 260 CB ALA A 19 7.555 9.593 0.453 1.00 0.71 C ATOM 0 H ALA A 19 7.969 7.210 0.133 1.00 0.60 H new ATOM 0 HA ALA A 19 5.860 8.512 1.241 1.00 0.61 H new ATOM 0 HB1 ALA A 19 7.145 10.580 0.667 1.00 0.71 H new ATOM 0 HB2 ALA A 19 8.206 9.285 1.271 1.00 0.71 H new ATOM 0 HB3 ALA A 19 8.129 9.631 -0.473 1.00 0.71 H new ATOM 266 N ASN A 20 5.705 8.846 -2.030 1.00 0.63 N ATOM 267 CA ASN A 20 4.774 9.180 -3.106 1.00 0.68 C ATOM 268 C ASN A 20 3.462 8.423 -2.911 1.00 0.67 C ATOM 269 O ASN A 20 2.373 8.993 -2.957 1.00 0.77 O ATOM 270 CB ASN A 20 5.386 8.837 -4.471 1.00 0.70 C ATOM 271 CG ASN A 20 4.354 8.990 -5.587 1.00 0.70 C ATOM 272 OD1 ASN A 20 4.158 10.084 -6.104 1.00 1.18 O ATOM 273 ND2 ASN A 20 3.682 7.905 -5.965 1.00 0.97 N ATOM 0 H ASN A 20 6.586 8.439 -2.346 1.00 0.63 H new ATOM 0 HA ASN A 20 4.574 10.251 -3.077 1.00 0.68 H new ATOM 0 HB2 ASN A 20 6.237 9.489 -4.666 1.00 0.70 H new ATOM 0 HB3 ASN A 20 5.764 7.815 -4.458 1.00 0.70 H new ATOM 0 HD21 ASN A 20 2.982 7.970 -6.704 1.00 0.97 H new ATOM 0 HD22 ASN A 20 3.867 7.008 -5.516 1.00 0.97 H new ATOM 280 N ILE A 21 3.582 7.118 -2.687 1.00 0.61 N ATOM 281 CA ILE A 21 2.460 6.231 -2.485 1.00 0.65 C ATOM 282 C ILE A 21 1.745 6.635 -1.202 1.00 0.62 C ATOM 283 O ILE A 21 0.527 6.704 -1.239 1.00 0.70 O ATOM 284 CB ILE A 21 2.907 4.754 -2.515 1.00 0.70 C ATOM 285 CG1 ILE A 21 3.177 4.288 -3.954 1.00 0.89 C ATOM 286 CG2 ILE A 21 1.879 3.799 -1.912 1.00 0.78 C ATOM 287 CD1 ILE A 21 4.612 4.614 -4.352 1.00 2.04 C ATOM 0 H ILE A 21 4.485 6.645 -2.641 1.00 0.61 H new ATOM 0 HA ILE A 21 1.745 6.324 -3.303 1.00 0.65 H new ATOM 0 HB ILE A 21 3.815 4.721 -1.913 1.00 0.70 H new ATOM 0 HG12 ILE A 21 3.004 3.215 -4.035 1.00 0.89 H new ATOM 0 HG13 ILE A 21 2.482 4.775 -4.638 1.00 0.89 H new ATOM 0 HG21 ILE A 21 2.256 2.778 -1.965 1.00 0.78 H new ATOM 0 HG22 ILE A 21 1.701 4.067 -0.870 1.00 0.78 H new ATOM 0 HG23 ILE A 21 0.945 3.870 -2.470 1.00 0.78 H new ATOM 0 HD11 ILE A 21 4.791 4.279 -5.374 1.00 2.04 H new ATOM 0 HD12 ILE A 21 4.771 5.691 -4.290 1.00 2.04 H new ATOM 0 HD13 ILE A 21 5.301 4.106 -3.677 1.00 2.04 H new ATOM 299 N GLU A 22 2.433 6.957 -0.106 1.00 0.58 N ATOM 300 CA GLU A 22 1.797 7.481 1.093 1.00 0.62 C ATOM 301 C GLU A 22 0.888 8.659 0.731 1.00 0.77 C ATOM 302 O GLU A 22 -0.306 8.656 1.026 1.00 0.95 O ATOM 303 CB GLU A 22 2.848 7.888 2.135 1.00 0.56 C ATOM 304 CG GLU A 22 3.676 6.705 2.659 1.00 0.60 C ATOM 305 CD GLU A 22 4.563 7.154 3.813 1.00 0.75 C ATOM 306 OE1 GLU A 22 4.045 7.175 4.950 1.00 2.10 O ATOM 307 OE2 GLU A 22 5.725 7.515 3.530 1.00 1.91 O ATOM 0 H GLU A 22 3.445 6.860 -0.029 1.00 0.58 H new ATOM 0 HA GLU A 22 1.183 6.697 1.537 1.00 0.62 H new ATOM 0 HB2 GLU A 22 3.519 8.625 1.695 1.00 0.56 H new ATOM 0 HB3 GLU A 22 2.349 8.373 2.974 1.00 0.56 H new ATOM 0 HG2 GLU A 22 3.013 5.906 2.990 1.00 0.60 H new ATOM 0 HG3 GLU A 22 4.290 6.297 1.856 1.00 0.60 H new ATOM 314 N ARG A 23 1.439 9.658 0.039 1.00 0.80 N ATOM 315 CA ARG A 23 0.654 10.807 -0.392 1.00 0.94 C ATOM 316 C ARG A 23 -0.502 10.416 -1.327 1.00 0.96 C ATOM 317 O ARG A 23 -1.503 11.131 -1.402 1.00 1.28 O ATOM 318 CB ARG A 23 1.574 11.876 -1.000 1.00 1.06 C ATOM 319 CG ARG A 23 2.440 12.550 0.077 1.00 1.81 C ATOM 320 CD ARG A 23 1.654 13.631 0.841 1.00 2.07 C ATOM 321 NE ARG A 23 2.277 13.957 2.136 1.00 3.56 N ATOM 322 CZ ARG A 23 3.316 14.785 2.329 1.00 4.44 C ATOM 323 NH1 ARG A 23 3.922 15.348 1.278 1.00 4.45 N ATOM 324 NH2 ARG A 23 3.738 15.048 3.571 1.00 5.95 N ATOM 0 H ARG A 23 2.422 9.691 -0.232 1.00 0.80 H new ATOM 0 HA ARG A 23 0.175 11.238 0.487 1.00 0.94 H new ATOM 0 HB2 ARG A 23 2.217 11.419 -1.753 1.00 1.06 H new ATOM 0 HB3 ARG A 23 0.972 12.629 -1.509 1.00 1.06 H new ATOM 0 HG2 ARG A 23 2.801 11.798 0.778 1.00 1.81 H new ATOM 0 HG3 ARG A 23 3.318 12.998 -0.389 1.00 1.81 H new ATOM 0 HD2 ARG A 23 1.592 14.533 0.232 1.00 2.07 H new ATOM 0 HD3 ARG A 23 0.633 13.287 1.007 1.00 2.07 H new ATOM 0 HE ARG A 23 1.881 13.511 2.964 1.00 3.56 H new ATOM 0 HH11 ARG A 23 3.594 15.148 0.333 1.00 4.45 H new ATOM 0 HH12 ARG A 23 4.712 15.978 1.422 1.00 4.45 H new ATOM 0 HH21 ARG A 23 3.270 14.620 4.370 1.00 5.95 H new ATOM 0 HH22 ARG A 23 4.527 15.677 3.719 1.00 5.95 H new ATOM 338 N ASN A 24 -0.429 9.277 -2.017 1.00 0.68 N ATOM 339 CA ASN A 24 -1.554 8.796 -2.790 1.00 0.72 C ATOM 340 C ASN A 24 -2.548 8.148 -1.814 1.00 0.85 C ATOM 341 O ASN A 24 -3.631 8.669 -1.606 1.00 1.24 O ATOM 342 CB ASN A 24 -1.027 7.937 -3.953 1.00 0.73 C ATOM 343 CG ASN A 24 -1.584 6.528 -3.995 1.00 1.90 C ATOM 344 OD1 ASN A 24 -2.607 6.260 -4.609 1.00 3.13 O ATOM 345 ND2 ASN A 24 -0.891 5.621 -3.326 1.00 2.53 N ATOM 0 H ASN A 24 0.397 8.679 -2.051 1.00 0.68 H new ATOM 0 HA ASN A 24 -2.125 9.578 -3.290 1.00 0.72 H new ATOM 0 HB2 ASN A 24 -1.263 8.436 -4.893 1.00 0.73 H new ATOM 0 HB3 ASN A 24 0.060 7.883 -3.885 1.00 0.73 H new ATOM 0 HD21 ASN A 24 -1.205 4.651 -3.308 1.00 2.53 H new ATOM 0 HD22 ASN A 24 -0.043 5.892 -2.828 1.00 2.53 H new ATOM 352 N LEU A 25 -2.162 7.083 -1.120 1.00 0.68 N ATOM 353 CA LEU A 25 -3.022 6.236 -0.311 1.00 0.69 C ATOM 354 C LEU A 25 -3.536 6.920 0.965 1.00 0.77 C ATOM 355 O LEU A 25 -4.407 6.367 1.623 1.00 1.20 O ATOM 356 CB LEU A 25 -2.300 4.893 -0.053 1.00 0.66 C ATOM 357 CG LEU A 25 -3.072 3.666 -0.571 1.00 1.17 C ATOM 358 CD1 LEU A 25 -3.368 3.662 -2.082 1.00 2.06 C ATOM 359 CD2 LEU A 25 -2.320 2.373 -0.275 1.00 1.52 C ATOM 0 H LEU A 25 -1.190 6.774 -1.108 1.00 0.68 H new ATOM 0 HA LEU A 25 -3.937 6.034 -0.868 1.00 0.69 H new ATOM 0 HB2 LEU A 25 -1.319 4.921 -0.528 1.00 0.66 H new ATOM 0 HB3 LEU A 25 -2.133 4.780 1.018 1.00 0.66 H new ATOM 0 HG LEU A 25 -4.021 3.729 -0.038 1.00 1.17 H new ATOM 0 HD11 LEU A 25 -3.915 2.756 -2.343 1.00 2.06 H new ATOM 0 HD12 LEU A 25 -3.969 4.535 -2.337 1.00 2.06 H new ATOM 0 HD13 LEU A 25 -2.430 3.693 -2.637 1.00 2.06 H new ATOM 0 HD21 LEU A 25 -2.891 1.525 -0.653 1.00 1.52 H new ATOM 0 HD22 LEU A 25 -1.345 2.400 -0.761 1.00 1.52 H new ATOM 0 HD23 LEU A 25 -2.186 2.269 0.802 1.00 1.52 H new ATOM 371 N ARG A 26 -3.028 8.109 1.320 1.00 0.69 N ATOM 372 CA ARG A 26 -3.459 8.934 2.454 1.00 0.78 C ATOM 373 C ARG A 26 -4.957 8.804 2.803 1.00 1.08 C ATOM 374 O ARG A 26 -5.314 8.755 3.977 1.00 1.56 O ATOM 375 CB ARG A 26 -3.066 10.404 2.184 1.00 0.93 C ATOM 376 CG ARG A 26 -3.978 10.983 1.102 1.00 2.60 C ATOM 377 CD ARG A 26 -3.632 12.386 0.576 1.00 3.39 C ATOM 378 NE ARG A 26 -4.626 12.856 -0.413 1.00 5.23 N ATOM 379 CZ ARG A 26 -4.955 12.252 -1.573 1.00 6.73 C ATOM 380 NH1 ARG A 26 -4.188 11.317 -2.127 1.00 7.07 N ATOM 381 NH2 ARG A 26 -6.094 12.566 -2.192 1.00 8.41 N ATOM 0 H ARG A 26 -2.267 8.542 0.796 1.00 0.69 H new ATOM 0 HA ARG A 26 -2.942 8.561 3.338 1.00 0.78 H new ATOM 0 HB2 ARG A 26 -3.153 10.989 3.100 1.00 0.93 H new ATOM 0 HB3 ARG A 26 -2.025 10.461 1.866 1.00 0.93 H new ATOM 0 HG2 ARG A 26 -3.980 10.295 0.257 1.00 2.60 H new ATOM 0 HG3 ARG A 26 -4.995 11.009 1.494 1.00 2.60 H new ATOM 0 HD2 ARG A 26 -3.587 13.087 1.409 1.00 3.39 H new ATOM 0 HD3 ARG A 26 -2.642 12.370 0.119 1.00 3.39 H new ATOM 0 HE ARG A 26 -5.112 13.726 -0.196 1.00 5.23 H new ATOM 0 HH11 ARG A 26 -3.319 11.035 -1.673 1.00 7.07 H new ATOM 0 HH12 ARG A 26 -4.469 10.882 -3.006 1.00 7.07 H new ATOM 0 HH21 ARG A 26 -6.718 13.264 -1.788 1.00 8.41 H new ATOM 0 HH22 ARG A 26 -6.341 12.108 -3.069 1.00 8.41 H new ATOM 395 N ARG A 27 -5.829 8.839 1.784 1.00 1.33 N ATOM 396 CA ARG A 27 -7.281 8.917 1.931 1.00 2.09 C ATOM 397 C ARG A 27 -8.077 8.433 0.714 1.00 1.52 C ATOM 398 O ARG A 27 -9.300 8.533 0.757 1.00 2.08 O ATOM 399 CB ARG A 27 -7.737 10.334 2.331 1.00 3.37 C ATOM 400 CG ARG A 27 -7.827 11.336 1.160 1.00 3.30 C ATOM 401 CD ARG A 27 -8.393 12.701 1.577 1.00 4.07 C ATOM 402 NE ARG A 27 -7.650 13.313 2.694 1.00 4.68 N ATOM 403 CZ ARG A 27 -7.995 13.265 3.994 1.00 5.88 C ATOM 404 NH1 ARG A 27 -9.050 12.543 4.388 1.00 6.40 N ATOM 405 NH2 ARG A 27 -7.277 13.942 4.897 1.00 7.05 N ATOM 0 H ARG A 27 -5.530 8.813 0.809 1.00 1.33 H new ATOM 0 HA ARG A 27 -7.507 8.219 2.737 1.00 2.09 H new ATOM 0 HB2 ARG A 27 -8.714 10.265 2.809 1.00 3.37 H new ATOM 0 HB3 ARG A 27 -7.045 10.727 3.076 1.00 3.37 H new ATOM 0 HG2 ARG A 27 -6.834 11.476 0.733 1.00 3.30 H new ATOM 0 HG3 ARG A 27 -8.455 10.913 0.376 1.00 3.30 H new ATOM 0 HD2 ARG A 27 -8.371 13.375 0.720 1.00 4.07 H new ATOM 0 HD3 ARG A 27 -9.438 12.583 1.864 1.00 4.07 H new ATOM 0 HE ARG A 27 -6.796 13.819 2.460 1.00 4.68 H new ATOM 0 HH11 ARG A 27 -9.598 12.025 3.702 1.00 6.40 H new ATOM 0 HH12 ARG A 27 -9.306 12.511 5.375 1.00 6.40 H new ATOM 0 HH21 ARG A 27 -6.471 14.492 4.599 1.00 7.05 H new ATOM 0 HH22 ARG A 27 -7.535 13.908 5.883 1.00 7.05 H new ATOM 419 N GLU A 28 -7.439 8.068 -0.408 1.00 0.87 N ATOM 420 CA GLU A 28 -8.172 7.693 -1.612 1.00 1.10 C ATOM 421 C GLU A 28 -9.140 6.570 -1.259 1.00 0.88 C ATOM 422 O GLU A 28 -8.813 5.731 -0.426 1.00 2.12 O ATOM 423 CB GLU A 28 -7.202 7.223 -2.704 1.00 2.10 C ATOM 424 CG GLU A 28 -6.219 8.321 -3.123 1.00 3.39 C ATOM 425 CD GLU A 28 -6.819 9.490 -3.880 1.00 5.65 C ATOM 426 OE1 GLU A 28 -7.908 9.321 -4.463 1.00 6.14 O ATOM 427 OE2 GLU A 28 -6.160 10.556 -3.818 1.00 7.33 O ATOM 0 H GLU A 28 -6.424 8.027 -0.500 1.00 0.87 H new ATOM 0 HA GLU A 28 -8.720 8.556 -1.991 1.00 1.10 H new ATOM 0 HB2 GLU A 28 -6.645 6.358 -2.344 1.00 2.10 H new ATOM 0 HB3 GLU A 28 -7.770 6.896 -3.575 1.00 2.10 H new ATOM 0 HG2 GLU A 28 -5.729 8.705 -2.228 1.00 3.39 H new ATOM 0 HG3 GLU A 28 -5.443 7.871 -3.743 1.00 3.39 H new ATOM 434 N GLU A 29 -10.318 6.544 -1.883 1.00 0.84 N ATOM 435 CA GLU A 29 -11.297 5.493 -1.656 1.00 1.29 C ATOM 436 C GLU A 29 -11.541 5.308 -0.151 1.00 1.07 C ATOM 437 O GLU A 29 -11.345 6.227 0.645 1.00 3.12 O ATOM 438 CB GLU A 29 -10.825 4.222 -2.402 1.00 3.01 C ATOM 439 CG GLU A 29 -11.864 3.746 -3.425 1.00 4.17 C ATOM 440 CD GLU A 29 -13.216 3.471 -2.783 1.00 5.01 C ATOM 441 OE1 GLU A 29 -13.208 2.838 -1.703 1.00 6.11 O ATOM 442 OE2 GLU A 29 -14.222 3.942 -3.351 1.00 5.17 O ATOM 0 H GLU A 29 -10.615 7.250 -2.556 1.00 0.84 H new ATOM 0 HA GLU A 29 -12.274 5.754 -2.063 1.00 1.29 H new ATOM 0 HB2 GLU A 29 -9.882 4.427 -2.909 1.00 3.01 H new ATOM 0 HB3 GLU A 29 -10.633 3.427 -1.681 1.00 3.01 H new ATOM 0 HG2 GLU A 29 -11.979 4.502 -4.202 1.00 4.17 H new ATOM 0 HG3 GLU A 29 -11.504 2.840 -3.912 1.00 4.17 H new ATOM 449 N GLY A 30 -11.945 4.118 0.273 1.00 1.24 N ATOM 450 CA GLY A 30 -12.095 3.805 1.676 1.00 0.85 C ATOM 451 C GLY A 30 -10.759 3.474 2.353 1.00 0.63 C ATOM 452 O GLY A 30 -10.694 2.493 3.097 1.00 0.74 O ATOM 0 H GLY A 30 -12.177 3.346 -0.352 1.00 1.24 H new ATOM 0 HA2 GLY A 30 -12.557 4.651 2.186 1.00 0.85 H new ATOM 0 HA3 GLY A 30 -12.773 2.958 1.785 1.00 0.85 H new ATOM 456 N ILE A 31 -9.699 4.267 2.123 1.00 0.57 N ATOM 457 CA ILE A 31 -8.414 4.083 2.805 1.00 0.46 C ATOM 458 C ILE A 31 -8.368 4.958 4.061 1.00 0.43 C ATOM 459 O ILE A 31 -8.797 6.111 4.032 1.00 0.56 O ATOM 460 CB ILE A 31 -7.218 4.367 1.874 1.00 0.60 C ATOM 461 CG1 ILE A 31 -7.305 3.499 0.609 1.00 0.99 C ATOM 462 CG2 ILE A 31 -5.915 4.014 2.605 1.00 0.83 C ATOM 463 CD1 ILE A 31 -6.429 3.957 -0.554 1.00 2.53 C ATOM 0 H ILE A 31 -9.711 5.046 1.465 1.00 0.57 H new ATOM 0 HA ILE A 31 -8.330 3.037 3.100 1.00 0.46 H new ATOM 0 HB ILE A 31 -7.236 5.421 1.598 1.00 0.60 H new ATOM 0 HG12 ILE A 31 -7.030 2.477 0.869 1.00 0.99 H new ATOM 0 HG13 ILE A 31 -8.342 3.475 0.275 1.00 0.99 H new ATOM 0 HG21 ILE A 31 -5.066 4.213 1.951 1.00 0.83 H new ATOM 0 HG22 ILE A 31 -5.828 4.620 3.507 1.00 0.83 H new ATOM 0 HG23 ILE A 31 -5.925 2.958 2.876 1.00 0.83 H new ATOM 0 HD11 ILE A 31 -6.562 3.280 -1.398 1.00 2.53 H new ATOM 0 HD12 ILE A 31 -6.715 4.966 -0.850 1.00 2.53 H new ATOM 0 HD13 ILE A 31 -5.383 3.952 -0.246 1.00 2.53 H new ATOM 475 N TYR A 32 -7.849 4.409 5.165 1.00 0.41 N ATOM 476 CA TYR A 32 -7.718 5.095 6.449 1.00 0.48 C ATOM 477 C TYR A 32 -6.265 5.419 6.799 1.00 0.53 C ATOM 478 O TYR A 32 -6.020 6.382 7.522 1.00 0.68 O ATOM 479 CB TYR A 32 -8.334 4.239 7.563 1.00 0.56 C ATOM 480 CG TYR A 32 -9.807 4.489 7.795 1.00 0.70 C ATOM 481 CD1 TYR A 32 -10.205 5.632 8.512 1.00 2.13 C ATOM 482 CD2 TYR A 32 -10.775 3.584 7.323 1.00 1.55 C ATOM 483 CE1 TYR A 32 -11.565 5.860 8.774 1.00 2.33 C ATOM 484 CE2 TYR A 32 -12.136 3.812 7.591 1.00 1.59 C ATOM 485 CZ TYR A 32 -12.532 4.965 8.292 1.00 1.22 C ATOM 486 OH TYR A 32 -13.848 5.189 8.567 1.00 1.54 O ATOM 0 H TYR A 32 -7.500 3.451 5.187 1.00 0.41 H new ATOM 0 HA TYR A 32 -8.251 6.042 6.360 1.00 0.48 H new ATOM 0 HB2 TYR A 32 -8.190 3.187 7.319 1.00 0.56 H new ATOM 0 HB3 TYR A 32 -7.794 4.428 8.491 1.00 0.56 H new ATOM 0 HD1 TYR A 32 -9.463 6.335 8.861 1.00 2.13 H new ATOM 0 HD2 TYR A 32 -10.473 2.716 6.756 1.00 1.55 H new ATOM 0 HE1 TYR A 32 -11.867 6.724 9.347 1.00 2.33 H new ATOM 0 HE2 TYR A 32 -12.878 3.101 7.258 1.00 1.59 H new ATOM 0 HH TYR A 32 -14.392 4.481 8.163 1.00 1.54 H new ATOM 496 N SER A 33 -5.305 4.598 6.367 1.00 0.50 N ATOM 497 CA SER A 33 -3.894 4.836 6.641 1.00 0.56 C ATOM 498 C SER A 33 -3.075 4.178 5.546 1.00 0.54 C ATOM 499 O SER A 33 -3.532 3.224 4.923 1.00 0.55 O ATOM 500 CB SER A 33 -3.499 4.297 8.023 1.00 0.63 C ATOM 501 OG SER A 33 -2.142 4.582 8.314 1.00 1.07 O ATOM 0 H SER A 33 -5.486 3.756 5.821 1.00 0.50 H new ATOM 0 HA SER A 33 -3.700 5.909 6.652 1.00 0.56 H new ATOM 0 HB2 SER A 33 -4.139 4.741 8.786 1.00 0.63 H new ATOM 0 HB3 SER A 33 -3.663 3.220 8.057 1.00 0.63 H new ATOM 0 HG SER A 33 -1.917 4.230 9.200 1.00 1.07 H new ATOM 507 N ILE A 34 -1.871 4.700 5.342 1.00 0.61 N ATOM 508 CA ILE A 34 -0.949 4.311 4.291 1.00 0.67 C ATOM 509 C ILE A 34 -0.035 3.179 4.738 1.00 0.67 C ATOM 510 O ILE A 34 0.038 2.849 5.919 1.00 0.74 O ATOM 511 CB ILE A 34 -0.106 5.516 3.851 1.00 0.87 C ATOM 512 CG1 ILE A 34 1.002 5.938 4.833 1.00 1.88 C ATOM 513 CG2 ILE A 34 -0.990 6.713 3.510 1.00 1.01 C ATOM 514 CD1 ILE A 34 0.515 6.297 6.234 1.00 2.94 C ATOM 0 H ILE A 34 -1.497 5.441 5.935 1.00 0.61 H new ATOM 0 HA ILE A 34 -1.542 3.955 3.448 1.00 0.67 H new ATOM 0 HB ILE A 34 0.414 5.168 2.958 1.00 0.87 H new ATOM 0 HG12 ILE A 34 1.726 5.127 4.912 1.00 1.88 H new ATOM 0 HG13 ILE A 34 1.529 6.796 4.416 1.00 1.88 H new ATOM 0 HG21 ILE A 34 -0.365 7.551 3.202 1.00 1.01 H new ATOM 0 HG22 ILE A 34 -1.666 6.446 2.697 1.00 1.01 H new ATOM 0 HG23 ILE A 34 -1.571 6.997 4.387 1.00 1.01 H new ATOM 0 HD11 ILE A 34 1.366 6.581 6.853 1.00 2.94 H new ATOM 0 HD12 ILE A 34 -0.184 7.131 6.174 1.00 2.94 H new ATOM 0 HD13 ILE A 34 0.015 5.436 6.677 1.00 2.94 H new ATOM 526 N LEU A 35 0.691 2.622 3.769 1.00 0.71 N ATOM 527 CA LEU A 35 1.725 1.650 3.955 1.00 0.74 C ATOM 528 C LEU A 35 3.061 2.311 4.270 1.00 0.78 C ATOM 529 O LEU A 35 3.580 3.069 3.457 1.00 1.06 O ATOM 530 CB LEU A 35 1.873 0.754 2.716 1.00 0.78 C ATOM 531 CG LEU A 35 1.957 1.411 1.320 1.00 0.96 C ATOM 532 CD1 LEU A 35 2.703 0.483 0.354 1.00 2.17 C ATOM 533 CD2 LEU A 35 0.583 1.665 0.703 1.00 2.29 C ATOM 0 H LEU A 35 0.553 2.861 2.787 1.00 0.71 H new ATOM 0 HA LEU A 35 1.433 1.033 4.805 1.00 0.74 H new ATOM 0 HB2 LEU A 35 2.772 0.153 2.851 1.00 0.78 H new ATOM 0 HB3 LEU A 35 1.028 0.066 2.705 1.00 0.78 H new ATOM 0 HG LEU A 35 2.471 2.361 1.464 1.00 0.96 H new ATOM 0 HD11 LEU A 35 2.760 0.951 -0.629 1.00 2.17 H new ATOM 0 HD12 LEU A 35 3.711 0.302 0.728 1.00 2.17 H new ATOM 0 HD13 LEU A 35 2.170 -0.464 0.275 1.00 2.17 H new ATOM 0 HD21 LEU A 35 0.704 2.128 -0.277 1.00 2.29 H new ATOM 0 HD22 LEU A 35 0.052 0.719 0.595 1.00 2.29 H new ATOM 0 HD23 LEU A 35 0.011 2.330 1.350 1.00 2.29 H new ATOM 545 N VAL A 36 3.648 1.970 5.418 1.00 0.62 N ATOM 546 CA VAL A 36 4.986 2.397 5.775 1.00 0.70 C ATOM 547 C VAL A 36 5.592 1.421 6.791 1.00 0.53 C ATOM 548 O VAL A 36 5.235 1.448 7.963 1.00 0.71 O ATOM 549 CB VAL A 36 4.944 3.858 6.263 1.00 0.96 C ATOM 550 CG1 VAL A 36 3.965 4.096 7.423 1.00 1.02 C ATOM 551 CG2 VAL A 36 6.349 4.343 6.632 1.00 1.14 C ATOM 0 H VAL A 36 3.200 1.387 6.124 1.00 0.62 H new ATOM 0 HA VAL A 36 5.644 2.377 4.906 1.00 0.70 H new ATOM 0 HB VAL A 36 4.565 4.445 5.426 1.00 0.96 H new ATOM 0 HG11 VAL A 36 3.991 5.147 7.711 1.00 1.02 H new ATOM 0 HG12 VAL A 36 2.956 3.831 7.107 1.00 1.02 H new ATOM 0 HG13 VAL A 36 4.253 3.479 8.274 1.00 1.02 H new ATOM 0 HG21 VAL A 36 6.299 5.377 6.974 1.00 1.14 H new ATOM 0 HG22 VAL A 36 6.753 3.717 7.427 1.00 1.14 H new ATOM 0 HG23 VAL A 36 6.997 4.281 5.757 1.00 1.14 H new ATOM 561 N ALA A 37 6.536 0.575 6.366 1.00 0.37 N ATOM 562 CA ALA A 37 7.417 -0.133 7.287 1.00 0.35 C ATOM 563 C ALA A 37 8.808 -0.214 6.661 1.00 0.49 C ATOM 564 O ALA A 37 9.414 -1.287 6.554 1.00 0.51 O ATOM 565 CB ALA A 37 6.839 -1.493 7.690 1.00 0.34 C ATOM 0 H ALA A 37 6.706 0.366 5.382 1.00 0.37 H new ATOM 0 HA ALA A 37 7.503 0.416 8.225 1.00 0.35 H new ATOM 0 HB1 ALA A 37 7.524 -1.990 8.377 1.00 0.34 H new ATOM 0 HB2 ALA A 37 5.876 -1.348 8.179 1.00 0.34 H new ATOM 0 HB3 ALA A 37 6.705 -2.109 6.801 1.00 0.34 H new ATOM 571 N LEU A 38 9.315 0.964 6.277 1.00 0.68 N ATOM 572 CA LEU A 38 10.652 1.164 5.728 1.00 0.87 C ATOM 573 C LEU A 38 11.724 0.658 6.700 1.00 0.91 C ATOM 574 O LEU A 38 12.799 0.255 6.266 1.00 1.06 O ATOM 575 CB LEU A 38 10.874 2.652 5.406 1.00 1.06 C ATOM 576 CG LEU A 38 11.912 2.837 4.283 1.00 1.04 C ATOM 577 CD1 LEU A 38 11.220 2.967 2.923 1.00 1.06 C ATOM 578 CD2 LEU A 38 12.787 4.074 4.510 1.00 1.75 C ATOM 0 H LEU A 38 8.783 1.832 6.344 1.00 0.68 H new ATOM 0 HA LEU A 38 10.736 0.589 4.806 1.00 0.87 H new ATOM 0 HB2 LEU A 38 9.929 3.106 5.108 1.00 1.06 H new ATOM 0 HB3 LEU A 38 11.209 3.173 6.303 1.00 1.06 H new ATOM 0 HG LEU A 38 12.548 1.952 4.295 1.00 1.04 H new ATOM 0 HD11 LEU A 38 11.971 3.097 2.144 1.00 1.06 H new ATOM 0 HD12 LEU A 38 10.640 2.066 2.722 1.00 1.06 H new ATOM 0 HD13 LEU A 38 10.555 3.831 2.934 1.00 1.06 H new ATOM 0 HD21 LEU A 38 13.505 4.166 3.695 1.00 1.75 H new ATOM 0 HD22 LEU A 38 12.158 4.964 4.542 1.00 1.75 H new ATOM 0 HD23 LEU A 38 13.322 3.973 5.455 1.00 1.75 H new ATOM 590 N MET A 39 11.399 0.643 8.002 1.00 0.87 N ATOM 591 CA MET A 39 12.168 0.019 9.076 1.00 0.99 C ATOM 592 C MET A 39 12.807 -1.313 8.662 1.00 0.81 C ATOM 593 O MET A 39 13.886 -1.654 9.140 1.00 1.00 O ATOM 594 CB MET A 39 11.274 -0.173 10.317 1.00 1.11 C ATOM 595 CG MET A 39 9.987 -0.972 10.041 1.00 2.22 C ATOM 596 SD MET A 39 9.003 -1.483 11.473 1.00 3.45 S ATOM 597 CE MET A 39 10.120 -2.669 12.256 1.00 4.40 C ATOM 0 H MET A 39 10.549 1.090 8.346 1.00 0.87 H new ATOM 0 HA MET A 39 12.991 0.693 9.314 1.00 0.99 H new ATOM 0 HB2 MET A 39 11.848 -0.683 11.091 1.00 1.11 H new ATOM 0 HB3 MET A 39 11.004 0.806 10.713 1.00 1.11 H new ATOM 0 HG2 MET A 39 9.350 -0.372 9.391 1.00 2.22 H new ATOM 0 HG3 MET A 39 10.259 -1.867 9.482 1.00 2.22 H new ATOM 0 HE1 MET A 39 9.590 -3.201 13.047 1.00 4.40 H new ATOM 0 HE2 MET A 39 10.472 -3.383 11.512 1.00 4.40 H new ATOM 0 HE3 MET A 39 10.972 -2.140 12.683 1.00 4.40 H new ATOM 607 N ALA A 40 12.121 -2.076 7.803 1.00 0.58 N ATOM 608 CA ALA A 40 12.621 -3.328 7.253 1.00 0.63 C ATOM 609 C ALA A 40 12.363 -3.412 5.747 1.00 0.71 C ATOM 610 O ALA A 40 13.251 -3.808 4.996 1.00 1.05 O ATOM 611 CB ALA A 40 11.970 -4.494 7.997 1.00 0.76 C ATOM 0 H ALA A 40 11.189 -1.831 7.469 1.00 0.58 H new ATOM 0 HA ALA A 40 13.701 -3.377 7.391 1.00 0.63 H new ATOM 0 HB1 ALA A 40 12.339 -5.436 7.591 1.00 0.76 H new ATOM 0 HB2 ALA A 40 12.218 -4.433 9.057 1.00 0.76 H new ATOM 0 HB3 ALA A 40 10.888 -4.445 7.874 1.00 0.76 H new ATOM 617 N GLY A 41 11.147 -3.073 5.306 1.00 0.56 N ATOM 618 CA GLY A 41 10.733 -3.140 3.912 1.00 0.65 C ATOM 619 C GLY A 41 9.406 -3.884 3.794 1.00 0.57 C ATOM 620 O GLY A 41 9.304 -4.863 3.060 1.00 0.71 O ATOM 0 H GLY A 41 10.411 -2.738 5.927 1.00 0.56 H new ATOM 0 HA2 GLY A 41 10.632 -2.134 3.506 1.00 0.65 H new ATOM 0 HA3 GLY A 41 11.497 -3.647 3.322 1.00 0.65 H new ATOM 624 N LYS A 42 8.390 -3.429 4.535 1.00 0.42 N ATOM 625 CA LYS A 42 7.016 -3.905 4.418 1.00 0.41 C ATOM 626 C LYS A 42 6.070 -2.700 4.395 1.00 0.33 C ATOM 627 O LYS A 42 6.527 -1.553 4.402 1.00 0.34 O ATOM 628 CB LYS A 42 6.652 -4.923 5.512 1.00 0.53 C ATOM 629 CG LYS A 42 7.519 -6.196 5.501 1.00 0.70 C ATOM 630 CD LYS A 42 8.717 -6.185 6.462 1.00 1.95 C ATOM 631 CE LYS A 42 8.253 -5.863 7.890 1.00 2.01 C ATOM 632 NZ LYS A 42 9.129 -6.442 8.930 1.00 3.10 N ATOM 0 H LYS A 42 8.507 -2.706 5.245 1.00 0.42 H new ATOM 0 HA LYS A 42 6.910 -4.450 3.480 1.00 0.41 H new ATOM 0 HB2 LYS A 42 6.744 -4.442 6.486 1.00 0.53 H new ATOM 0 HB3 LYS A 42 5.606 -5.208 5.395 1.00 0.53 H new ATOM 0 HG2 LYS A 42 6.886 -7.049 5.746 1.00 0.70 H new ATOM 0 HG3 LYS A 42 7.889 -6.355 4.488 1.00 0.70 H new ATOM 0 HD2 LYS A 42 9.215 -7.155 6.444 1.00 1.95 H new ATOM 0 HD3 LYS A 42 9.448 -5.445 6.134 1.00 1.95 H new ATOM 0 HE2 LYS A 42 8.214 -4.781 8.017 1.00 2.01 H new ATOM 0 HE3 LYS A 42 7.239 -6.237 8.029 1.00 2.01 H new ATOM 0 HZ1 LYS A 42 8.998 -5.924 9.822 1.00 3.10 H new ATOM 0 HZ2 LYS A 42 8.885 -7.443 9.072 1.00 3.10 H new ATOM 0 HZ3 LYS A 42 10.122 -6.367 8.629 1.00 3.10 H new ATOM 646 N ALA A 43 4.766 -2.965 4.295 1.00 0.35 N ATOM 647 CA ALA A 43 3.747 -2.002 3.945 1.00 0.39 C ATOM 648 C ALA A 43 2.425 -2.385 4.625 1.00 0.44 C ATOM 649 O ALA A 43 1.961 -3.514 4.482 1.00 0.50 O ATOM 650 CB ALA A 43 3.641 -2.033 2.417 1.00 0.48 C ATOM 0 H ALA A 43 4.387 -3.897 4.464 1.00 0.35 H new ATOM 0 HA ALA A 43 3.989 -0.994 4.281 1.00 0.39 H new ATOM 0 HB1 ALA A 43 2.882 -1.322 2.090 1.00 0.48 H new ATOM 0 HB2 ALA A 43 4.603 -1.764 1.980 1.00 0.48 H new ATOM 0 HB3 ALA A 43 3.363 -3.035 2.092 1.00 0.48 H new ATOM 656 N GLU A 44 1.823 -1.462 5.383 1.00 0.49 N ATOM 657 CA GLU A 44 0.677 -1.757 6.236 1.00 0.54 C ATOM 658 C GLU A 44 -0.412 -0.688 6.111 1.00 0.45 C ATOM 659 O GLU A 44 -0.627 0.116 7.015 1.00 0.54 O ATOM 660 CB GLU A 44 1.160 -1.970 7.674 1.00 0.67 C ATOM 661 CG GLU A 44 2.187 -0.953 8.195 1.00 1.96 C ATOM 662 CD GLU A 44 2.567 -1.305 9.627 1.00 2.06 C ATOM 663 OE1 GLU A 44 1.665 -1.186 10.487 1.00 1.84 O ATOM 664 OE2 GLU A 44 3.718 -1.742 9.831 1.00 3.51 O ATOM 0 H GLU A 44 2.121 -0.487 5.419 1.00 0.49 H new ATOM 0 HA GLU A 44 0.204 -2.682 5.905 1.00 0.54 H new ATOM 0 HB2 GLU A 44 0.293 -1.952 8.334 1.00 0.67 H new ATOM 0 HB3 GLU A 44 1.596 -2.967 7.747 1.00 0.67 H new ATOM 0 HG2 GLU A 44 3.073 -0.957 7.561 1.00 1.96 H new ATOM 0 HG3 GLU A 44 1.771 0.054 8.155 1.00 1.96 H new ATOM 671 N VAL A 45 -1.137 -0.723 4.994 1.00 0.53 N ATOM 672 CA VAL A 45 -2.213 0.217 4.697 1.00 0.50 C ATOM 673 C VAL A 45 -3.472 -0.253 5.428 1.00 0.48 C ATOM 674 O VAL A 45 -3.687 -1.452 5.589 1.00 0.73 O ATOM 675 CB VAL A 45 -2.394 0.374 3.165 1.00 0.60 C ATOM 676 CG1 VAL A 45 -1.977 -0.867 2.369 1.00 1.54 C ATOM 677 CG2 VAL A 45 -3.828 0.718 2.739 1.00 1.65 C ATOM 0 H VAL A 45 -0.990 -1.416 4.260 1.00 0.53 H new ATOM 0 HA VAL A 45 -1.975 1.218 5.058 1.00 0.50 H new ATOM 0 HB VAL A 45 -1.732 1.208 2.933 1.00 0.60 H new ATOM 0 HG11 VAL A 45 -2.131 -0.686 1.305 1.00 1.54 H new ATOM 0 HG12 VAL A 45 -0.924 -1.080 2.552 1.00 1.54 H new ATOM 0 HG13 VAL A 45 -2.579 -1.720 2.682 1.00 1.54 H new ATOM 0 HG21 VAL A 45 -3.873 0.811 1.654 1.00 1.65 H new ATOM 0 HG22 VAL A 45 -4.504 -0.073 3.063 1.00 1.65 H new ATOM 0 HG23 VAL A 45 -4.127 1.661 3.197 1.00 1.65 H new ATOM 687 N ARG A 46 -4.300 0.682 5.903 1.00 0.37 N ATOM 688 CA ARG A 46 -5.569 0.371 6.547 1.00 0.34 C ATOM 689 C ARG A 46 -6.697 0.672 5.574 1.00 0.28 C ATOM 690 O ARG A 46 -6.768 1.788 5.058 1.00 0.35 O ATOM 691 CB ARG A 46 -5.732 1.156 7.849 1.00 0.44 C ATOM 692 CG ARG A 46 -7.061 0.786 8.522 1.00 0.57 C ATOM 693 CD ARG A 46 -7.262 1.596 9.809 1.00 0.87 C ATOM 694 NE ARG A 46 -8.684 1.919 10.015 1.00 1.90 N ATOM 695 CZ ARG A 46 -9.154 2.712 10.990 1.00 2.42 C ATOM 696 NH1 ARG A 46 -8.329 3.135 11.954 1.00 2.06 N ATOM 697 NH2 ARG A 46 -10.440 3.077 10.989 1.00 3.87 N ATOM 0 H ARG A 46 -4.103 1.681 5.849 1.00 0.37 H new ATOM 0 HA ARG A 46 -5.595 -0.686 6.811 1.00 0.34 H new ATOM 0 HB2 ARG A 46 -4.902 0.938 8.521 1.00 0.44 H new ATOM 0 HB3 ARG A 46 -5.704 2.226 7.644 1.00 0.44 H new ATOM 0 HG2 ARG A 46 -7.887 0.974 7.836 1.00 0.57 H new ATOM 0 HG3 ARG A 46 -7.074 -0.279 8.751 1.00 0.57 H new ATOM 0 HD2 ARG A 46 -6.887 1.029 10.661 1.00 0.87 H new ATOM 0 HD3 ARG A 46 -6.680 2.516 9.758 1.00 0.87 H new ATOM 0 HE ARG A 46 -9.360 1.510 9.370 1.00 1.90 H new ATOM 0 HH11 ARG A 46 -7.348 2.855 11.945 1.00 2.06 H new ATOM 0 HH12 ARG A 46 -8.680 3.738 12.698 1.00 2.06 H new ATOM 0 HH21 ARG A 46 -11.062 2.753 10.248 1.00 3.87 H new ATOM 0 HH22 ARG A 46 -10.800 3.680 11.729 1.00 3.87 H new ATOM 711 N TYR A 47 -7.583 -0.305 5.363 1.00 0.38 N ATOM 712 CA TYR A 47 -8.628 -0.255 4.360 1.00 0.46 C ATOM 713 C TYR A 47 -9.981 -0.669 4.930 1.00 0.46 C ATOM 714 O TYR A 47 -10.087 -1.136 6.068 1.00 0.52 O ATOM 715 CB TYR A 47 -8.234 -1.153 3.183 1.00 0.54 C ATOM 716 CG TYR A 47 -8.677 -2.607 3.272 1.00 0.62 C ATOM 717 CD1 TYR A 47 -8.016 -3.527 4.105 1.00 1.83 C ATOM 718 CD2 TYR A 47 -9.661 -3.076 2.386 1.00 2.12 C ATOM 719 CE1 TYR A 47 -8.178 -4.910 3.891 1.00 1.73 C ATOM 720 CE2 TYR A 47 -9.750 -4.441 2.101 1.00 2.24 C ATOM 721 CZ TYR A 47 -9.029 -5.366 2.867 1.00 0.82 C ATOM 722 OH TYR A 47 -9.199 -6.688 2.607 1.00 1.09 O ATOM 0 H TYR A 47 -7.586 -1.170 5.903 1.00 0.38 H new ATOM 0 HA TYR A 47 -8.733 0.774 4.017 1.00 0.46 H new ATOM 0 HB2 TYR A 47 -8.648 -0.724 2.270 1.00 0.54 H new ATOM 0 HB3 TYR A 47 -7.149 -1.131 3.083 1.00 0.54 H new ATOM 0 HD1 TYR A 47 -7.385 -3.174 4.907 1.00 1.83 H new ATOM 0 HD2 TYR A 47 -10.348 -2.382 1.925 1.00 2.12 H new ATOM 0 HE1 TYR A 47 -7.650 -5.619 4.512 1.00 1.73 H new ATOM 0 HE2 TYR A 47 -10.375 -4.783 1.290 1.00 2.24 H new ATOM 0 HH TYR A 47 -9.827 -6.797 1.863 1.00 1.09 H new ATOM 732 N ASN A 48 -11.010 -0.510 4.100 1.00 0.65 N ATOM 733 CA ASN A 48 -12.390 -0.860 4.398 1.00 0.78 C ATOM 734 C ASN A 48 -12.914 -1.806 3.314 1.00 0.78 C ATOM 735 O ASN A 48 -13.349 -1.312 2.273 1.00 0.79 O ATOM 736 CB ASN A 48 -13.223 0.430 4.442 1.00 0.85 C ATOM 737 CG ASN A 48 -14.711 0.144 4.627 1.00 1.20 C ATOM 738 OD1 ASN A 48 -15.106 -0.967 4.964 1.00 1.72 O ATOM 739 ND2 ASN A 48 -15.556 1.146 4.409 1.00 1.74 N ATOM 0 H ASN A 48 -10.897 -0.118 3.165 1.00 0.65 H new ATOM 0 HA ASN A 48 -12.460 -1.364 5.362 1.00 0.78 H new ATOM 0 HB2 ASN A 48 -12.871 1.061 5.258 1.00 0.85 H new ATOM 0 HB3 ASN A 48 -13.073 0.990 3.519 1.00 0.85 H new ATOM 0 HD21 ASN A 48 -16.559 1.001 4.521 1.00 1.74 H new ATOM 0 HD22 ASN A 48 -15.201 2.061 4.129 1.00 1.74 H new ATOM 746 N PRO A 49 -12.883 -3.138 3.509 1.00 0.83 N ATOM 747 CA PRO A 49 -13.417 -4.083 2.540 1.00 0.93 C ATOM 748 C PRO A 49 -14.943 -3.974 2.489 1.00 1.05 C ATOM 749 O PRO A 49 -15.670 -4.777 3.066 1.00 1.34 O ATOM 750 CB PRO A 49 -12.938 -5.465 2.984 1.00 1.06 C ATOM 751 CG PRO A 49 -12.729 -5.312 4.489 1.00 1.04 C ATOM 752 CD PRO A 49 -12.357 -3.839 4.672 1.00 0.90 C ATOM 0 HA PRO A 49 -13.070 -3.882 1.527 1.00 0.93 H new ATOM 0 HB2 PRO A 49 -13.675 -6.235 2.759 1.00 1.06 H new ATOM 0 HB3 PRO A 49 -12.015 -5.750 2.479 1.00 1.06 H new ATOM 0 HG2 PRO A 49 -13.632 -5.566 5.044 1.00 1.04 H new ATOM 0 HG3 PRO A 49 -11.938 -5.970 4.850 1.00 1.04 H new ATOM 0 HD2 PRO A 49 -12.785 -3.441 5.592 1.00 0.90 H new ATOM 0 HD3 PRO A 49 -11.276 -3.717 4.744 1.00 0.90 H new ATOM 760 N ALA A 50 -15.418 -2.952 1.784 1.00 0.88 N ATOM 761 CA ALA A 50 -16.826 -2.669 1.576 1.00 1.01 C ATOM 762 C ALA A 50 -17.004 -2.123 0.161 1.00 0.87 C ATOM 763 O ALA A 50 -17.806 -2.646 -0.607 1.00 1.21 O ATOM 764 CB ALA A 50 -17.309 -1.681 2.645 1.00 1.19 C ATOM 0 H ALA A 50 -14.807 -2.276 1.327 1.00 0.88 H new ATOM 0 HA ALA A 50 -17.429 -3.572 1.673 1.00 1.01 H new ATOM 0 HB1 ALA A 50 -18.367 -1.467 2.491 1.00 1.19 H new ATOM 0 HB2 ALA A 50 -17.167 -2.117 3.634 1.00 1.19 H new ATOM 0 HB3 ALA A 50 -16.737 -0.756 2.571 1.00 1.19 H new ATOM 770 N VAL A 51 -16.236 -1.081 -0.178 1.00 0.65 N ATOM 771 CA VAL A 51 -16.293 -0.403 -1.464 1.00 0.83 C ATOM 772 C VAL A 51 -14.973 -0.587 -2.217 1.00 0.74 C ATOM 773 O VAL A 51 -14.979 -1.003 -3.372 1.00 1.07 O ATOM 774 CB VAL A 51 -16.621 1.079 -1.220 1.00 1.06 C ATOM 775 CG1 VAL A 51 -16.606 1.864 -2.532 1.00 1.36 C ATOM 776 CG2 VAL A 51 -18.008 1.223 -0.578 1.00 1.38 C ATOM 0 H VAL A 51 -15.543 -0.681 0.455 1.00 0.65 H new ATOM 0 HA VAL A 51 -17.075 -0.832 -2.090 1.00 0.83 H new ATOM 0 HB VAL A 51 -15.860 1.478 -0.550 1.00 1.06 H new ATOM 0 HG11 VAL A 51 -16.841 2.910 -2.333 1.00 1.36 H new ATOM 0 HG12 VAL A 51 -15.618 1.794 -2.986 1.00 1.36 H new ATOM 0 HG13 VAL A 51 -17.349 1.449 -3.213 1.00 1.36 H new ATOM 0 HG21 VAL A 51 -18.224 2.278 -0.412 1.00 1.38 H new ATOM 0 HG22 VAL A 51 -18.762 0.798 -1.241 1.00 1.38 H new ATOM 0 HG23 VAL A 51 -18.024 0.695 0.375 1.00 1.38 H new ATOM 786 N ILE A 52 -13.847 -0.273 -1.566 1.00 0.50 N ATOM 787 CA ILE A 52 -12.541 -0.166 -2.214 1.00 0.59 C ATOM 788 C ILE A 52 -12.190 -1.406 -3.026 1.00 0.70 C ATOM 789 O ILE A 52 -11.665 -1.281 -4.124 1.00 1.09 O ATOM 790 CB ILE A 52 -11.464 0.157 -1.167 1.00 0.74 C ATOM 791 CG1 ILE A 52 -10.115 0.487 -1.821 1.00 0.85 C ATOM 792 CG2 ILE A 52 -11.293 -0.972 -0.149 1.00 1.05 C ATOM 793 CD1 ILE A 52 -9.136 1.016 -0.772 1.00 1.25 C ATOM 0 H ILE A 52 -13.820 -0.085 -0.564 1.00 0.50 H new ATOM 0 HA ILE A 52 -12.587 0.654 -2.931 1.00 0.59 H new ATOM 0 HB ILE A 52 -11.813 1.041 -0.634 1.00 0.74 H new ATOM 0 HG12 ILE A 52 -9.705 -0.404 -2.295 1.00 0.85 H new ATOM 0 HG13 ILE A 52 -10.255 1.230 -2.606 1.00 0.85 H new ATOM 0 HG21 ILE A 52 -10.521 -0.699 0.571 1.00 1.05 H new ATOM 0 HG22 ILE A 52 -12.235 -1.136 0.374 1.00 1.05 H new ATOM 0 HG23 ILE A 52 -11.000 -1.886 -0.665 1.00 1.05 H new ATOM 0 HD11 ILE A 52 -8.183 1.247 -1.248 1.00 1.25 H new ATOM 0 HD12 ILE A 52 -9.543 1.919 -0.318 1.00 1.25 H new ATOM 0 HD13 ILE A 52 -8.984 0.260 -0.002 1.00 1.25 H new ATOM 805 N GLN A 53 -12.490 -2.586 -2.478 1.00 0.66 N ATOM 806 CA GLN A 53 -12.290 -3.893 -3.081 1.00 0.80 C ATOM 807 C GLN A 53 -10.811 -4.323 -2.982 1.00 0.81 C ATOM 808 O GLN A 53 -9.950 -3.689 -3.590 1.00 0.81 O ATOM 809 CB GLN A 53 -12.836 -3.935 -4.526 1.00 0.86 C ATOM 810 CG GLN A 53 -13.787 -5.111 -4.782 1.00 1.25 C ATOM 811 CD GLN A 53 -15.140 -4.910 -4.099 1.00 1.84 C ATOM 812 OE1 GLN A 53 -16.007 -4.222 -4.623 1.00 3.30 O ATOM 813 NE2 GLN A 53 -15.348 -5.522 -2.935 1.00 2.14 N ATOM 0 H GLN A 53 -12.903 -2.651 -1.547 1.00 0.66 H new ATOM 0 HA GLN A 53 -12.867 -4.626 -2.518 1.00 0.80 H new ATOM 0 HB2 GLN A 53 -13.358 -3.002 -4.737 1.00 0.86 H new ATOM 0 HB3 GLN A 53 -11.999 -3.996 -5.222 1.00 0.86 H new ATOM 0 HG2 GLN A 53 -13.936 -5.230 -5.855 1.00 1.25 H new ATOM 0 HG3 GLN A 53 -13.331 -6.032 -4.420 1.00 1.25 H new ATOM 0 HE21 GLN A 53 -14.610 -6.090 -2.518 1.00 2.14 H new ATOM 0 HE22 GLN A 53 -16.245 -5.423 -2.460 1.00 2.14 H new ATOM 822 N PRO A 54 -10.487 -5.409 -2.252 1.00 0.85 N ATOM 823 CA PRO A 54 -9.115 -5.883 -2.103 1.00 0.90 C ATOM 824 C PRO A 54 -8.305 -5.971 -3.410 1.00 0.88 C ATOM 825 O PRO A 54 -7.168 -5.495 -3.420 1.00 0.90 O ATOM 826 CB PRO A 54 -9.171 -7.203 -1.324 1.00 1.06 C ATOM 827 CG PRO A 54 -10.647 -7.598 -1.304 1.00 1.12 C ATOM 828 CD PRO A 54 -11.403 -6.290 -1.537 1.00 0.92 C ATOM 0 HA PRO A 54 -8.548 -5.137 -1.546 1.00 0.90 H new ATOM 0 HB2 PRO A 54 -8.565 -7.970 -1.806 1.00 1.06 H new ATOM 0 HB3 PRO A 54 -8.783 -7.080 -0.313 1.00 1.06 H new ATOM 0 HG2 PRO A 54 -10.872 -8.329 -2.081 1.00 1.12 H new ATOM 0 HG3 PRO A 54 -10.923 -8.050 -0.351 1.00 1.12 H new ATOM 0 HD2 PRO A 54 -12.309 -6.463 -2.118 1.00 0.92 H new ATOM 0 HD3 PRO A 54 -11.711 -5.845 -0.591 1.00 0.92 H new ATOM 836 N PRO A 55 -8.823 -6.530 -4.523 1.00 0.89 N ATOM 837 CA PRO A 55 -8.077 -6.538 -5.774 1.00 0.93 C ATOM 838 C PRO A 55 -7.702 -5.127 -6.231 1.00 0.81 C ATOM 839 O PRO A 55 -6.598 -4.927 -6.739 1.00 0.90 O ATOM 840 CB PRO A 55 -8.950 -7.273 -6.798 1.00 1.05 C ATOM 841 CG PRO A 55 -10.358 -7.163 -6.220 1.00 1.01 C ATOM 842 CD PRO A 55 -10.100 -7.208 -4.715 1.00 0.95 C ATOM 0 HA PRO A 55 -7.122 -7.050 -5.651 1.00 0.93 H new ATOM 0 HB2 PRO A 55 -8.885 -6.812 -7.784 1.00 1.05 H new ATOM 0 HB3 PRO A 55 -8.644 -8.313 -6.912 1.00 1.05 H new ATOM 0 HG2 PRO A 55 -10.849 -6.237 -6.520 1.00 1.01 H new ATOM 0 HG3 PRO A 55 -10.997 -7.983 -6.547 1.00 1.01 H new ATOM 0 HD2 PRO A 55 -10.897 -6.709 -4.164 1.00 0.95 H new ATOM 0 HD3 PRO A 55 -10.058 -8.236 -4.354 1.00 0.95 H new ATOM 850 N MET A 56 -8.586 -4.137 -6.053 1.00 0.75 N ATOM 851 CA MET A 56 -8.259 -2.796 -6.502 1.00 0.59 C ATOM 852 C MET A 56 -7.089 -2.246 -5.695 1.00 0.54 C ATOM 853 O MET A 56 -6.199 -1.665 -6.298 1.00 0.51 O ATOM 854 CB MET A 56 -9.447 -1.844 -6.420 1.00 0.60 C ATOM 855 CG MET A 56 -10.552 -2.137 -7.439 1.00 1.28 C ATOM 856 SD MET A 56 -11.889 -0.912 -7.412 1.00 2.21 S ATOM 857 CE MET A 56 -12.872 -1.451 -8.826 1.00 3.11 C ATOM 0 H MET A 56 -9.501 -4.241 -5.615 1.00 0.75 H new ATOM 0 HA MET A 56 -7.980 -2.868 -7.553 1.00 0.59 H new ATOM 0 HB2 MET A 56 -9.870 -1.893 -5.417 1.00 0.60 H new ATOM 0 HB3 MET A 56 -9.093 -0.824 -6.567 1.00 0.60 H new ATOM 0 HG2 MET A 56 -10.117 -2.169 -8.438 1.00 1.28 H new ATOM 0 HG3 MET A 56 -10.968 -3.125 -7.240 1.00 1.28 H new ATOM 0 HE1 MET A 56 -13.734 -0.794 -8.941 1.00 3.11 H new ATOM 0 HE2 MET A 56 -12.263 -1.412 -9.729 1.00 3.11 H new ATOM 0 HE3 MET A 56 -13.214 -2.473 -8.663 1.00 3.11 H new ATOM 867 N ILE A 57 -7.075 -2.413 -4.364 1.00 0.64 N ATOM 868 CA ILE A 57 -5.958 -1.969 -3.520 1.00 0.76 C ATOM 869 C ILE A 57 -4.614 -2.339 -4.160 1.00 0.67 C ATOM 870 O ILE A 57 -3.793 -1.462 -4.429 1.00 0.68 O ATOM 871 CB ILE A 57 -6.079 -2.521 -2.083 1.00 1.13 C ATOM 872 CG1 ILE A 57 -7.392 -2.029 -1.466 1.00 1.12 C ATOM 873 CG2 ILE A 57 -4.907 -2.058 -1.200 1.00 1.94 C ATOM 874 CD1 ILE A 57 -7.551 -2.394 0.010 1.00 1.43 C ATOM 0 H ILE A 57 -7.833 -2.857 -3.846 1.00 0.64 H new ATOM 0 HA ILE A 57 -6.003 -0.882 -3.446 1.00 0.76 H new ATOM 0 HB ILE A 57 -6.060 -3.610 -2.134 1.00 1.13 H new ATOM 0 HG12 ILE A 57 -7.450 -0.946 -1.572 1.00 1.12 H new ATOM 0 HG13 ILE A 57 -8.227 -2.449 -2.027 1.00 1.12 H new ATOM 0 HG21 ILE A 57 -5.025 -2.465 -0.196 1.00 1.94 H new ATOM 0 HG22 ILE A 57 -3.968 -2.411 -1.627 1.00 1.94 H new ATOM 0 HG23 ILE A 57 -4.896 -0.969 -1.151 1.00 1.94 H new ATOM 0 HD11 ILE A 57 -8.503 -2.013 0.378 1.00 1.43 H new ATOM 0 HD12 ILE A 57 -7.526 -3.478 0.121 1.00 1.43 H new ATOM 0 HD13 ILE A 57 -6.737 -1.952 0.584 1.00 1.43 H new ATOM 886 N ALA A 58 -4.401 -3.634 -4.415 1.00 0.69 N ATOM 887 CA ALA A 58 -3.234 -4.126 -5.127 1.00 0.75 C ATOM 888 C ALA A 58 -2.985 -3.321 -6.399 1.00 0.63 C ATOM 889 O ALA A 58 -1.938 -2.696 -6.533 1.00 0.62 O ATOM 890 CB ALA A 58 -3.409 -5.610 -5.451 1.00 0.94 C ATOM 0 H ALA A 58 -5.044 -4.371 -4.127 1.00 0.69 H new ATOM 0 HA ALA A 58 -2.362 -4.005 -4.485 1.00 0.75 H new ATOM 0 HB1 ALA A 58 -2.530 -5.972 -5.985 1.00 0.94 H new ATOM 0 HB2 ALA A 58 -3.529 -6.173 -4.525 1.00 0.94 H new ATOM 0 HB3 ALA A 58 -4.293 -5.745 -6.074 1.00 0.94 H new ATOM 896 N GLU A 59 -3.931 -3.320 -7.336 1.00 0.61 N ATOM 897 CA GLU A 59 -3.741 -2.675 -8.623 1.00 0.59 C ATOM 898 C GLU A 59 -3.380 -1.184 -8.481 1.00 0.57 C ATOM 899 O GLU A 59 -2.423 -0.721 -9.098 1.00 0.62 O ATOM 900 CB GLU A 59 -4.996 -2.893 -9.457 1.00 0.63 C ATOM 901 CG GLU A 59 -5.263 -4.377 -9.794 1.00 0.77 C ATOM 902 CD GLU A 59 -4.233 -5.021 -10.718 1.00 1.15 C ATOM 903 OE1 GLU A 59 -4.439 -4.942 -11.946 1.00 1.83 O ATOM 904 OE2 GLU A 59 -3.274 -5.624 -10.181 1.00 2.90 O ATOM 0 H GLU A 59 -4.842 -3.764 -7.221 1.00 0.61 H new ATOM 0 HA GLU A 59 -2.889 -3.125 -9.132 1.00 0.59 H new ATOM 0 HB2 GLU A 59 -5.854 -2.491 -8.919 1.00 0.63 H new ATOM 0 HB3 GLU A 59 -4.908 -2.328 -10.385 1.00 0.63 H new ATOM 0 HG2 GLU A 59 -5.301 -4.945 -8.864 1.00 0.77 H new ATOM 0 HG3 GLU A 59 -6.246 -4.458 -10.257 1.00 0.77 H new ATOM 911 N PHE A 60 -4.103 -0.446 -7.632 1.00 0.57 N ATOM 912 CA PHE A 60 -3.791 0.917 -7.215 1.00 0.64 C ATOM 913 C PHE A 60 -2.312 1.084 -6.878 1.00 0.68 C ATOM 914 O PHE A 60 -1.727 2.122 -7.155 1.00 0.88 O ATOM 915 CB PHE A 60 -4.618 1.272 -5.965 1.00 0.72 C ATOM 916 CG PHE A 60 -5.313 2.611 -6.029 1.00 0.92 C ATOM 917 CD1 PHE A 60 -4.564 3.801 -6.050 1.00 1.48 C ATOM 918 CD2 PHE A 60 -6.718 2.665 -6.075 1.00 2.47 C ATOM 919 CE1 PHE A 60 -5.221 5.041 -6.121 1.00 1.57 C ATOM 920 CE2 PHE A 60 -7.371 3.904 -6.144 1.00 2.67 C ATOM 921 CZ PHE A 60 -6.625 5.096 -6.156 1.00 1.49 C ATOM 0 H PHE A 60 -4.957 -0.801 -7.201 1.00 0.57 H new ATOM 0 HA PHE A 60 -4.034 1.579 -8.046 1.00 0.64 H new ATOM 0 HB2 PHE A 60 -5.367 0.496 -5.809 1.00 0.72 H new ATOM 0 HB3 PHE A 60 -3.961 1.260 -5.095 1.00 0.72 H new ATOM 0 HD1 PHE A 60 -3.485 3.762 -6.012 1.00 1.48 H new ATOM 0 HD2 PHE A 60 -7.294 1.752 -6.057 1.00 2.47 H new ATOM 0 HE1 PHE A 60 -4.645 5.954 -6.149 1.00 1.57 H new ATOM 0 HE2 PHE A 60 -8.449 3.943 -6.188 1.00 2.67 H new ATOM 0 HZ PHE A 60 -7.129 6.050 -6.192 1.00 1.49 H new ATOM 931 N ILE A 61 -1.727 0.099 -6.198 1.00 0.61 N ATOM 932 CA ILE A 61 -0.307 0.110 -5.879 1.00 0.62 C ATOM 933 C ILE A 61 0.497 -0.243 -7.134 1.00 0.59 C ATOM 934 O ILE A 61 1.482 0.410 -7.472 1.00 0.62 O ATOM 935 CB ILE A 61 -0.043 -0.786 -4.653 1.00 0.68 C ATOM 936 CG1 ILE A 61 -0.763 -0.204 -3.419 1.00 0.74 C ATOM 937 CG2 ILE A 61 1.460 -0.900 -4.385 1.00 0.72 C ATOM 938 CD1 ILE A 61 -0.912 -1.221 -2.283 1.00 0.82 C ATOM 0 H ILE A 61 -2.224 -0.723 -5.856 1.00 0.61 H new ATOM 0 HA ILE A 61 0.032 1.103 -5.584 1.00 0.62 H new ATOM 0 HB ILE A 61 -0.431 -1.784 -4.856 1.00 0.68 H new ATOM 0 HG12 ILE A 61 -0.209 0.661 -3.055 1.00 0.74 H new ATOM 0 HG13 ILE A 61 -1.750 0.151 -3.714 1.00 0.74 H new ATOM 0 HG21 ILE A 61 1.627 -1.536 -3.516 1.00 0.72 H new ATOM 0 HG22 ILE A 61 1.953 -1.336 -5.254 1.00 0.72 H new ATOM 0 HG23 ILE A 61 1.872 0.091 -4.194 1.00 0.72 H new ATOM 0 HD11 ILE A 61 -1.426 -0.755 -1.442 1.00 0.82 H new ATOM 0 HD12 ILE A 61 -1.491 -2.075 -2.633 1.00 0.82 H new ATOM 0 HD13 ILE A 61 0.075 -1.557 -1.964 1.00 0.82 H new ATOM 950 N ARG A 62 0.090 -1.300 -7.835 1.00 0.57 N ATOM 951 CA ARG A 62 0.822 -1.826 -8.973 1.00 0.57 C ATOM 952 C ARG A 62 0.788 -0.902 -10.191 1.00 0.61 C ATOM 953 O ARG A 62 1.534 -1.162 -11.130 1.00 0.67 O ATOM 954 CB ARG A 62 0.299 -3.212 -9.358 1.00 0.62 C ATOM 955 CG ARG A 62 0.458 -4.230 -8.224 1.00 0.63 C ATOM 956 CD ARG A 62 -0.335 -5.493 -8.560 1.00 1.03 C ATOM 957 NE ARG A 62 0.311 -6.261 -9.632 1.00 1.11 N ATOM 958 CZ ARG A 62 -0.216 -7.364 -10.187 1.00 1.70 C ATOM 959 NH1 ARG A 62 -1.525 -7.607 -10.096 1.00 2.45 N ATOM 960 NH2 ARG A 62 0.589 -8.230 -10.813 1.00 1.98 N ATOM 0 H ARG A 62 -0.764 -1.815 -7.623 1.00 0.57 H new ATOM 0 HA ARG A 62 1.862 -1.899 -8.656 1.00 0.57 H new ATOM 0 HB2 ARG A 62 -0.754 -3.138 -9.631 1.00 0.62 H new ATOM 0 HB3 ARG A 62 0.833 -3.567 -10.239 1.00 0.62 H new ATOM 0 HG2 ARG A 62 1.511 -4.475 -8.085 1.00 0.63 H new ATOM 0 HG3 ARG A 62 0.104 -3.804 -7.286 1.00 0.63 H new ATOM 0 HD2 ARG A 62 -0.427 -6.115 -7.669 1.00 1.03 H new ATOM 0 HD3 ARG A 62 -1.346 -5.220 -8.864 1.00 1.03 H new ATOM 0 HE ARG A 62 1.215 -5.937 -9.976 1.00 1.11 H new ATOM 0 HH11 ARG A 62 -2.132 -6.953 -9.602 1.00 2.45 H new ATOM 0 HH12 ARG A 62 -1.918 -8.447 -10.520 1.00 2.45 H new ATOM 0 HH21 ARG A 62 1.591 -8.049 -10.865 1.00 1.98 H new ATOM 0 HH22 ARG A 62 0.200 -9.072 -11.239 1.00 1.98 H new ATOM 974 N GLU A 63 -0.023 0.162 -10.190 1.00 0.62 N ATOM 975 CA GLU A 63 -0.004 1.210 -11.213 1.00 0.70 C ATOM 976 C GLU A 63 1.433 1.642 -11.565 1.00 0.72 C ATOM 977 O GLU A 63 1.753 1.889 -12.726 1.00 0.83 O ATOM 978 CB GLU A 63 -0.922 2.368 -10.777 1.00 0.79 C ATOM 979 CG GLU A 63 -0.408 3.222 -9.602 1.00 1.60 C ATOM 980 CD GLU A 63 0.502 4.384 -9.988 1.00 3.10 C ATOM 981 OE1 GLU A 63 0.814 4.508 -11.191 1.00 3.62 O ATOM 982 OE2 GLU A 63 0.868 5.141 -9.063 1.00 4.37 O ATOM 0 H GLU A 63 -0.723 0.320 -9.465 1.00 0.62 H new ATOM 0 HA GLU A 63 -0.405 0.818 -12.147 1.00 0.70 H new ATOM 0 HB2 GLU A 63 -1.083 3.022 -11.634 1.00 0.79 H new ATOM 0 HB3 GLU A 63 -1.893 1.955 -10.504 1.00 0.79 H new ATOM 0 HG2 GLU A 63 -1.267 3.619 -9.061 1.00 1.60 H new ATOM 0 HG3 GLU A 63 0.132 2.573 -8.912 1.00 1.60 H new ATOM 989 N LEU A 64 2.324 1.599 -10.569 1.00 0.69 N ATOM 990 CA LEU A 64 3.718 2.007 -10.688 1.00 0.73 C ATOM 991 C LEU A 64 4.555 0.921 -11.373 1.00 0.77 C ATOM 992 O LEU A 64 5.591 1.212 -11.965 1.00 1.02 O ATOM 993 CB LEU A 64 4.298 2.151 -9.278 1.00 0.89 C ATOM 994 CG LEU A 64 3.500 3.055 -8.330 1.00 0.79 C ATOM 995 CD1 LEU A 64 3.745 2.582 -6.900 1.00 1.19 C ATOM 996 CD2 LEU A 64 3.898 4.525 -8.486 1.00 0.92 C ATOM 0 H LEU A 64 2.084 1.270 -9.634 1.00 0.69 H new ATOM 0 HA LEU A 64 3.751 2.933 -11.263 1.00 0.73 H new ATOM 0 HB2 LEU A 64 4.373 1.160 -8.831 1.00 0.89 H new ATOM 0 HB3 LEU A 64 5.312 2.542 -9.358 1.00 0.89 H new ATOM 0 HG LEU A 64 2.440 2.986 -8.575 1.00 0.79 H new ATOM 0 HD11 LEU A 64 3.186 3.212 -6.208 1.00 1.19 H new ATOM 0 HD12 LEU A 64 3.415 1.548 -6.797 1.00 1.19 H new ATOM 0 HD13 LEU A 64 4.809 2.648 -6.672 1.00 1.19 H new ATOM 0 HD21 LEU A 64 3.312 5.135 -7.799 1.00 0.92 H new ATOM 0 HD22 LEU A 64 4.958 4.641 -8.261 1.00 0.92 H new ATOM 0 HD23 LEU A 64 3.707 4.847 -9.510 1.00 0.92 H new ATOM 1008 N GLY A 65 4.141 -0.340 -11.228 1.00 0.66 N ATOM 1009 CA GLY A 65 4.828 -1.503 -11.772 1.00 0.72 C ATOM 1010 C GLY A 65 5.859 -2.094 -10.805 1.00 0.63 C ATOM 1011 O GLY A 65 6.775 -2.787 -11.242 1.00 0.77 O ATOM 0 H GLY A 65 3.294 -0.582 -10.714 1.00 0.66 H new ATOM 0 HA2 GLY A 65 4.093 -2.268 -12.023 1.00 0.72 H new ATOM 0 HA3 GLY A 65 5.327 -1.223 -12.700 1.00 0.72 H new ATOM 1015 N PHE A 66 5.707 -1.862 -9.495 1.00 0.59 N ATOM 1016 CA PHE A 66 6.560 -2.485 -8.484 1.00 0.65 C ATOM 1017 C PHE A 66 6.041 -3.874 -8.107 1.00 0.58 C ATOM 1018 O PHE A 66 4.864 -4.190 -8.288 1.00 0.58 O ATOM 1019 CB PHE A 66 6.669 -1.599 -7.234 1.00 0.73 C ATOM 1020 CG PHE A 66 7.610 -0.420 -7.390 1.00 0.87 C ATOM 1021 CD1 PHE A 66 8.999 -0.632 -7.474 1.00 2.10 C ATOM 1022 CD2 PHE A 66 7.104 0.890 -7.413 1.00 2.20 C ATOM 1023 CE1 PHE A 66 9.873 0.462 -7.603 1.00 2.32 C ATOM 1024 CE2 PHE A 66 7.976 1.985 -7.547 1.00 2.61 C ATOM 1025 CZ PHE A 66 9.361 1.770 -7.644 1.00 1.91 C ATOM 0 H PHE A 66 4.994 -1.241 -9.112 1.00 0.59 H new ATOM 0 HA PHE A 66 7.555 -2.596 -8.915 1.00 0.65 H new ATOM 0 HB2 PHE A 66 5.677 -1.227 -6.978 1.00 0.73 H new ATOM 0 HB3 PHE A 66 7.006 -2.210 -6.397 1.00 0.73 H new ATOM 0 HD1 PHE A 66 9.394 -1.637 -7.439 1.00 2.10 H new ATOM 0 HD2 PHE A 66 6.040 1.057 -7.327 1.00 2.20 H new ATOM 0 HE1 PHE A 66 10.938 0.297 -7.671 1.00 2.32 H new ATOM 0 HE2 PHE A 66 7.582 2.990 -7.575 1.00 2.61 H new ATOM 0 HZ PHE A 66 10.032 2.610 -7.750 1.00 1.91 H new ATOM 1035 N GLY A 67 6.919 -4.693 -7.515 1.00 0.58 N ATOM 1036 CA GLY A 67 6.593 -6.052 -7.124 1.00 0.58 C ATOM 1037 C GLY A 67 5.873 -6.030 -5.783 1.00 0.53 C ATOM 1038 O GLY A 67 6.435 -6.428 -4.765 1.00 0.58 O ATOM 0 H GLY A 67 7.878 -4.421 -7.297 1.00 0.58 H new ATOM 0 HA2 GLY A 67 5.963 -6.519 -7.881 1.00 0.58 H new ATOM 0 HA3 GLY A 67 7.501 -6.650 -7.052 1.00 0.58 H new ATOM 1042 N ALA A 68 4.631 -5.545 -5.794 1.00 0.49 N ATOM 1043 CA ALA A 68 3.765 -5.536 -4.626 1.00 0.44 C ATOM 1044 C ALA A 68 3.093 -6.899 -4.487 1.00 0.41 C ATOM 1045 O ALA A 68 2.733 -7.520 -5.487 1.00 0.51 O ATOM 1046 CB ALA A 68 2.727 -4.419 -4.763 1.00 0.50 C ATOM 0 H ALA A 68 4.198 -5.144 -6.626 1.00 0.49 H new ATOM 0 HA ALA A 68 4.351 -5.346 -3.727 1.00 0.44 H new ATOM 0 HB1 ALA A 68 2.079 -4.415 -3.886 1.00 0.50 H new ATOM 0 HB2 ALA A 68 3.235 -3.458 -4.844 1.00 0.50 H new ATOM 0 HB3 ALA A 68 2.126 -4.588 -5.657 1.00 0.50 H new ATOM 1052 N THR A 69 2.930 -7.368 -3.248 1.00 0.43 N ATOM 1053 CA THR A 69 2.386 -8.673 -2.927 1.00 0.53 C ATOM 1054 C THR A 69 1.469 -8.452 -1.735 1.00 0.54 C ATOM 1055 O THR A 69 1.957 -8.164 -0.640 1.00 0.63 O ATOM 1056 CB THR A 69 3.514 -9.663 -2.600 1.00 0.63 C ATOM 1057 OG1 THR A 69 4.354 -9.155 -1.586 1.00 2.46 O ATOM 1058 CG2 THR A 69 4.374 -9.968 -3.828 1.00 2.10 C ATOM 0 H THR A 69 3.183 -6.827 -2.421 1.00 0.43 H new ATOM 0 HA THR A 69 1.839 -9.106 -3.765 1.00 0.53 H new ATOM 0 HB THR A 69 3.032 -10.580 -2.262 1.00 0.63 H new ATOM 0 HG1 THR A 69 3.838 -8.562 -1.000 1.00 2.46 H new ATOM 0 HG21 THR A 69 5.161 -10.672 -3.556 1.00 2.10 H new ATOM 0 HG22 THR A 69 3.751 -10.404 -4.609 1.00 2.10 H new ATOM 0 HG23 THR A 69 4.824 -9.046 -4.195 1.00 2.10 H new ATOM 1066 N VAL A 70 0.162 -8.512 -1.979 1.00 0.60 N ATOM 1067 CA VAL A 70 -0.875 -8.194 -1.017 1.00 0.60 C ATOM 1068 C VAL A 70 -1.345 -9.473 -0.331 1.00 0.63 C ATOM 1069 O VAL A 70 -1.532 -10.494 -0.990 1.00 0.73 O ATOM 1070 CB VAL A 70 -1.985 -7.428 -1.748 1.00 0.65 C ATOM 1071 CG1 VAL A 70 -2.692 -8.260 -2.830 1.00 0.78 C ATOM 1072 CG2 VAL A 70 -3.050 -6.913 -0.773 1.00 0.71 C ATOM 0 H VAL A 70 -0.211 -8.794 -2.886 1.00 0.60 H new ATOM 0 HA VAL A 70 -0.509 -7.548 -0.219 1.00 0.60 H new ATOM 0 HB VAL A 70 -1.475 -6.595 -2.231 1.00 0.65 H new ATOM 0 HG11 VAL A 70 -3.465 -7.656 -3.306 1.00 0.78 H new ATOM 0 HG12 VAL A 70 -1.966 -8.576 -3.579 1.00 0.78 H new ATOM 0 HG13 VAL A 70 -3.148 -9.139 -2.373 1.00 0.78 H new ATOM 0 HG21 VAL A 70 -3.820 -6.375 -1.326 1.00 0.71 H new ATOM 0 HG22 VAL A 70 -3.501 -7.755 -0.249 1.00 0.71 H new ATOM 0 HG23 VAL A 70 -2.587 -6.241 -0.050 1.00 0.71 H new ATOM 1082 N ILE A 71 -1.479 -9.427 0.995 1.00 0.61 N ATOM 1083 CA ILE A 71 -1.849 -10.536 1.852 1.00 0.69 C ATOM 1084 C ILE A 71 -2.640 -9.961 3.034 1.00 0.73 C ATOM 1085 O ILE A 71 -2.689 -8.744 3.223 1.00 0.71 O ATOM 1086 CB ILE A 71 -0.595 -11.340 2.283 1.00 0.84 C ATOM 1087 CG1 ILE A 71 0.397 -10.559 3.166 1.00 0.84 C ATOM 1088 CG2 ILE A 71 0.194 -11.845 1.069 1.00 1.68 C ATOM 1089 CD1 ILE A 71 0.248 -10.900 4.648 1.00 1.55 C ATOM 0 H ILE A 71 -1.322 -8.567 1.520 1.00 0.61 H new ATOM 0 HA ILE A 71 -2.480 -11.252 1.325 1.00 0.69 H new ATOM 0 HB ILE A 71 -1.008 -12.161 2.869 1.00 0.84 H new ATOM 0 HG12 ILE A 71 1.416 -10.778 2.846 1.00 0.84 H new ATOM 0 HG13 ILE A 71 0.242 -9.489 3.024 1.00 0.84 H new ATOM 0 HG21 ILE A 71 1.066 -12.404 1.409 1.00 1.68 H new ATOM 0 HG22 ILE A 71 -0.441 -12.494 0.467 1.00 1.68 H new ATOM 0 HG23 ILE A 71 0.519 -10.996 0.468 1.00 1.68 H new ATOM 0 HD11 ILE A 71 0.969 -10.324 5.228 1.00 1.55 H new ATOM 0 HD12 ILE A 71 -0.762 -10.655 4.978 1.00 1.55 H new ATOM 0 HD13 ILE A 71 0.430 -11.964 4.797 1.00 1.55 H new