USER MOD reduce.3.24.130724 H: found=0, std=0, add=619, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 621 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 LYS NZ :NH3+ 161:sc= 2.35 (180deg=0.00468) USER MOD Set 1.2: A 88 THR OG1 : rot -104:sc= 2.37 USER MOD Set 2.1: A 78 HIS : no HD1:sc= -0.165 K(o=-0.11,f=-0.93) USER MOD Set 2.2: B 208 THR OG1 : rot -150:sc= 0.0549 USER MOD Single : A 13 THR OG1 : rot -24:sc= 0.0899 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 39:sc= 1.06 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.265 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 HIS : no HD1:sc= 0.498 K(o=0.5,f=-3.5!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= 0.584 K(o=0.58,f=-0.12) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0.282 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=-0.062) USER MOD Single : A 84 THR OG1 : rot 90:sc= 1.34 USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=0.15) USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 HIS : no HD1:sc= -1.48 K(o=-1.5,f=-3.7!) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 209 SER OG : rot 30:sc= 0.295 USER MOD ----------------------------------------------------------------- ATOM 73 N THR A 13 -7.545 -7.650 -6.004 1.00 0.00 N ATOM 74 CA THR A 13 -6.640 -6.557 -5.824 1.00 0.00 C ATOM 75 C THR A 13 -7.348 -5.255 -5.977 1.00 0.00 C ATOM 76 O THR A 13 -8.301 -5.106 -6.741 1.00 0.00 O ATOM 77 CB THR A 13 -5.444 -6.526 -6.728 1.00 0.00 C ATOM 78 OG1 THR A 13 -5.756 -6.797 -8.086 1.00 0.00 O ATOM 79 CG2 THR A 13 -4.393 -7.549 -6.263 1.00 0.00 C ATOM 0 HA THR A 13 -6.263 -6.716 -4.814 1.00 0.00 H new ATOM 0 HB THR A 13 -5.056 -5.509 -6.668 1.00 0.00 H new ATOM 0 HG1 THR A 13 -6.583 -7.320 -8.133 1.00 0.00 H new ATOM 0 HG21 THR A 13 -3.531 -7.514 -6.930 1.00 0.00 H new ATOM 0 HG22 THR A 13 -4.076 -7.310 -5.248 1.00 0.00 H new ATOM 0 HG23 THR A 13 -4.826 -8.549 -6.282 1.00 0.00 H new ATOM 87 N PHE A 14 -6.888 -4.246 -5.216 1.00 0.00 N ATOM 88 CA PHE A 14 -7.387 -2.906 -5.237 1.00 0.00 C ATOM 89 C PHE A 14 -6.211 -2.000 -5.368 1.00 0.00 C ATOM 90 O PHE A 14 -5.237 -2.105 -4.624 1.00 0.00 O ATOM 91 CB PHE A 14 -8.321 -2.487 -4.090 1.00 0.00 C ATOM 92 CG PHE A 14 -8.118 -3.086 -2.741 1.00 0.00 C ATOM 93 CD1 PHE A 14 -8.117 -4.441 -2.507 1.00 0.00 C ATOM 94 CD2 PHE A 14 -8.064 -2.257 -1.646 1.00 0.00 C ATOM 95 CE1 PHE A 14 -7.926 -4.956 -1.247 1.00 0.00 C ATOM 96 CE2 PHE A 14 -7.857 -2.751 -0.379 1.00 0.00 C ATOM 97 CZ PHE A 14 -7.773 -4.107 -0.177 1.00 0.00 C ATOM 0 H PHE A 14 -6.126 -4.373 -4.550 1.00 0.00 H new ATOM 0 HA PHE A 14 -8.060 -2.834 -6.091 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -8.248 -1.405 -3.984 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -9.342 -2.709 -4.399 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -8.270 -5.118 -3.334 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -8.187 -1.193 -1.784 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -7.896 -6.025 -1.098 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -7.761 -2.073 0.456 1.00 0.00 H new ATOM 0 HZ PHE A 14 -7.589 -4.502 0.811 1.00 0.00 H new ATOM 107 N GLU A 15 -6.244 -1.078 -6.348 1.00 0.00 N ATOM 108 CA GLU A 15 -5.219 -0.106 -6.563 1.00 0.00 C ATOM 109 C GLU A 15 -5.700 1.205 -6.042 1.00 0.00 C ATOM 110 O GLU A 15 -6.232 2.049 -6.761 1.00 0.00 O ATOM 111 CB GLU A 15 -4.767 0.009 -8.029 1.00 0.00 C ATOM 112 CG GLU A 15 -4.395 -1.326 -8.679 1.00 0.00 C ATOM 113 CD GLU A 15 -3.690 -1.142 -10.014 1.00 0.00 C ATOM 114 OE1 GLU A 15 -2.581 -0.544 -10.048 1.00 0.00 O ATOM 115 OE2 GLU A 15 -4.237 -1.597 -11.054 1.00 0.00 O ATOM 0 H GLU A 15 -7.013 -1.008 -7.014 1.00 0.00 H new ATOM 0 HA GLU A 15 -4.330 -0.433 -6.023 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -5.566 0.472 -8.608 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.907 0.677 -8.081 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -3.750 -1.889 -8.004 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -5.297 -1.920 -8.826 1.00 0.00 H new ATOM 122 N VAL A 16 -5.581 1.386 -4.714 1.00 0.00 N ATOM 123 CA VAL A 16 -6.084 2.484 -3.948 1.00 0.00 C ATOM 124 C VAL A 16 -5.251 3.712 -4.094 1.00 0.00 C ATOM 125 O VAL A 16 -4.134 3.782 -3.585 1.00 0.00 O ATOM 126 CB VAL A 16 -6.121 2.076 -2.505 1.00 0.00 C ATOM 127 CG1 VAL A 16 -6.542 3.227 -1.576 1.00 0.00 C ATOM 128 CG2 VAL A 16 -7.112 0.912 -2.343 1.00 0.00 C ATOM 0 H VAL A 16 -5.092 0.707 -4.130 1.00 0.00 H new ATOM 0 HA VAL A 16 -7.080 2.727 -4.317 1.00 0.00 H new ATOM 0 HB VAL A 16 -5.112 1.779 -2.220 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -6.552 2.876 -0.544 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -5.834 4.050 -1.673 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -7.539 3.571 -1.852 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -7.147 0.607 -1.297 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -8.104 1.232 -2.661 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -6.788 0.071 -2.956 1.00 0.00 H new ATOM 138 N GLU A 17 -5.741 4.758 -4.783 1.00 0.00 N ATOM 139 CA GLU A 17 -4.999 5.955 -5.031 1.00 0.00 C ATOM 140 C GLU A 17 -5.412 7.004 -4.056 1.00 0.00 C ATOM 141 O GLU A 17 -6.593 7.293 -3.876 1.00 0.00 O ATOM 142 CB GLU A 17 -5.053 6.384 -6.508 1.00 0.00 C ATOM 143 CG GLU A 17 -5.267 7.856 -6.864 1.00 0.00 C ATOM 144 CD GLU A 17 -6.723 8.301 -6.868 1.00 0.00 C ATOM 145 OE1 GLU A 17 -7.574 7.605 -7.482 1.00 0.00 O ATOM 146 OE2 GLU A 17 -7.031 9.396 -6.323 1.00 0.00 O ATOM 0 H GLU A 17 -6.681 4.772 -5.179 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.938 5.769 -4.862 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -4.118 6.070 -6.972 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -5.852 5.815 -6.983 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -4.714 8.472 -6.155 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -4.840 8.044 -7.849 1.00 0.00 H new ATOM 153 N LEU A 18 -4.410 7.538 -3.336 1.00 0.00 N ATOM 154 CA LEU A 18 -4.597 8.425 -2.230 1.00 0.00 C ATOM 155 C LEU A 18 -3.645 9.564 -2.354 1.00 0.00 C ATOM 156 O LEU A 18 -2.587 9.441 -2.969 1.00 0.00 O ATOM 157 CB LEU A 18 -4.206 7.741 -0.909 1.00 0.00 C ATOM 158 CG LEU A 18 -4.891 6.386 -0.669 1.00 0.00 C ATOM 159 CD1 LEU A 18 -4.214 5.709 0.535 1.00 0.00 C ATOM 160 CD2 LEU A 18 -6.418 6.523 -0.535 1.00 0.00 C ATOM 0 H LEU A 18 -3.428 7.344 -3.533 1.00 0.00 H new ATOM 0 HA LEU A 18 -5.643 8.732 -2.232 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.126 7.596 -0.895 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.449 8.409 -0.082 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.761 5.740 -1.538 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.686 4.744 0.723 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.156 5.560 0.321 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.320 6.342 1.416 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -6.858 5.540 -0.367 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -6.652 7.175 0.307 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -6.827 6.951 -1.450 1.00 0.00 H new ATOM 172 N ALA A 19 -3.960 10.686 -1.684 1.00 0.00 N ATOM 173 CA ALA A 19 -3.016 11.721 -1.398 1.00 0.00 C ATOM 174 C ALA A 19 -2.827 11.773 0.079 1.00 0.00 C ATOM 175 O ALA A 19 -3.782 11.931 0.838 1.00 0.00 O ATOM 176 CB ALA A 19 -3.480 13.067 -1.979 1.00 0.00 C ATOM 0 H ALA A 19 -4.897 10.879 -1.331 1.00 0.00 H new ATOM 0 HA ALA A 19 -2.058 11.507 -1.872 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -2.744 13.837 -1.747 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -3.585 12.980 -3.060 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.440 13.340 -1.542 1.00 0.00 H new ATOM 182 N LYS A 20 -1.586 11.586 0.561 1.00 0.00 N ATOM 183 CA LYS A 20 -1.269 11.509 1.953 1.00 0.00 C ATOM 184 C LYS A 20 -1.562 12.766 2.696 1.00 0.00 C ATOM 185 O LYS A 20 -1.427 13.866 2.162 1.00 0.00 O ATOM 186 CB LYS A 20 0.200 11.135 2.215 1.00 0.00 C ATOM 187 CG LYS A 20 0.799 10.089 1.274 1.00 0.00 C ATOM 188 CD LYS A 20 1.998 10.608 0.478 1.00 0.00 C ATOM 189 CE LYS A 20 3.247 10.790 1.342 1.00 0.00 C ATOM 190 NZ LYS A 20 4.396 11.214 0.510 1.00 0.00 N ATOM 0 H LYS A 20 -0.771 11.484 -0.043 1.00 0.00 H new ATOM 0 HA LYS A 20 -1.919 10.716 2.322 1.00 0.00 H new ATOM 0 HB2 LYS A 20 0.803 12.041 2.151 1.00 0.00 H new ATOM 0 HB3 LYS A 20 0.285 10.767 3.238 1.00 0.00 H new ATOM 0 HG2 LYS A 20 1.107 9.220 1.856 1.00 0.00 H new ATOM 0 HG3 LYS A 20 0.029 9.751 0.580 1.00 0.00 H new ATOM 0 HD2 LYS A 20 2.220 9.913 -0.332 1.00 0.00 H new ATOM 0 HD3 LYS A 20 1.738 11.561 0.017 1.00 0.00 H new ATOM 0 HE2 LYS A 20 3.056 11.534 2.115 1.00 0.00 H new ATOM 0 HE3 LYS A 20 3.484 9.855 1.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 5.127 11.638 1.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 4.791 10.388 0.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 4.078 11.915 -0.190 1.00 0.00 H new ATOM 204 N THR A 21 -1.968 12.652 3.974 1.00 0.00 N ATOM 205 CA THR A 21 -2.209 13.760 4.846 1.00 0.00 C ATOM 206 C THR A 21 -0.944 14.026 5.588 1.00 0.00 C ATOM 207 O THR A 21 -0.662 13.473 6.649 1.00 0.00 O ATOM 208 CB THR A 21 -3.436 13.608 5.696 1.00 0.00 C ATOM 209 OG1 THR A 21 -3.616 14.655 6.637 1.00 0.00 O ATOM 210 CG2 THR A 21 -3.486 12.278 6.465 1.00 0.00 C ATOM 0 H THR A 21 -2.135 11.749 4.418 1.00 0.00 H new ATOM 0 HA THR A 21 -2.463 14.648 4.267 1.00 0.00 H new ATOM 0 HB THR A 21 -4.243 13.640 4.964 1.00 0.00 H new ATOM 0 HG1 THR A 21 -4.433 14.493 7.154 1.00 0.00 H new ATOM 0 HG21 THR A 21 -4.399 12.235 7.059 1.00 0.00 H new ATOM 0 HG22 THR A 21 -3.473 11.448 5.758 1.00 0.00 H new ATOM 0 HG23 THR A 21 -2.621 12.206 7.124 1.00 0.00 H new ATOM 218 N ASP A 22 -0.089 14.872 4.988 1.00 0.00 N ATOM 219 CA ASP A 22 1.210 15.278 5.430 1.00 0.00 C ATOM 220 C ASP A 22 2.120 14.211 5.934 1.00 0.00 C ATOM 221 O ASP A 22 2.511 14.171 7.099 1.00 0.00 O ATOM 222 CB ASP A 22 1.064 16.487 6.368 1.00 0.00 C ATOM 223 CG ASP A 22 2.255 17.434 6.308 1.00 0.00 C ATOM 224 OD1 ASP A 22 2.758 17.719 5.188 1.00 0.00 O ATOM 225 OD2 ASP A 22 2.633 17.986 7.375 1.00 0.00 O ATOM 0 H ASP A 22 -0.334 15.316 4.103 1.00 0.00 H new ATOM 0 HA ASP A 22 1.758 15.576 4.536 1.00 0.00 H new ATOM 0 HB2 ASP A 22 0.158 17.034 6.108 1.00 0.00 H new ATOM 0 HB3 ASP A 22 0.940 16.133 7.391 1.00 0.00 H new ATOM 230 N GLY A 23 2.519 13.284 5.045 1.00 0.00 N ATOM 231 CA GLY A 23 3.403 12.199 5.343 1.00 0.00 C ATOM 232 C GLY A 23 2.766 11.085 6.101 1.00 0.00 C ATOM 233 O GLY A 23 3.280 10.674 7.140 1.00 0.00 O ATOM 0 H GLY A 23 2.211 13.291 4.073 1.00 0.00 H new ATOM 0 HA2 GLY A 23 3.805 11.805 4.410 1.00 0.00 H new ATOM 0 HA3 GLY A 23 4.247 12.580 5.918 1.00 0.00 H new ATOM 237 N SER A 24 1.635 10.557 5.601 1.00 0.00 N ATOM 238 CA SER A 24 0.778 9.644 6.290 1.00 0.00 C ATOM 239 C SER A 24 -0.397 9.348 5.423 1.00 0.00 C ATOM 240 O SER A 24 -1.280 10.173 5.193 1.00 0.00 O ATOM 241 CB SER A 24 0.204 10.158 7.621 1.00 0.00 C ATOM 242 OG SER A 24 1.121 9.987 8.691 1.00 0.00 O ATOM 0 H SER A 24 1.301 10.780 4.664 1.00 0.00 H new ATOM 0 HA SER A 24 1.405 8.780 6.511 1.00 0.00 H new ATOM 0 HB2 SER A 24 -0.049 11.214 7.524 1.00 0.00 H new ATOM 0 HB3 SER A 24 -0.721 9.628 7.847 1.00 0.00 H new ATOM 0 HG SER A 24 2.029 10.183 8.378 1.00 0.00 H new ATOM 248 N LEU A 25 -0.449 8.108 4.905 1.00 0.00 N ATOM 249 CA LEU A 25 -1.599 7.477 4.336 1.00 0.00 C ATOM 250 C LEU A 25 -2.499 7.094 5.459 1.00 0.00 C ATOM 251 O LEU A 25 -3.712 7.305 5.458 1.00 0.00 O ATOM 252 CB LEU A 25 -1.155 6.175 3.646 1.00 0.00 C ATOM 253 CG LEU A 25 0.022 6.295 2.665 1.00 0.00 C ATOM 254 CD1 LEU A 25 0.731 4.935 2.545 1.00 0.00 C ATOM 255 CD2 LEU A 25 -0.409 6.861 1.300 1.00 0.00 C ATOM 0 H LEU A 25 0.373 7.504 4.883 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.091 8.143 3.627 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.886 5.453 4.417 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.009 5.764 3.108 1.00 0.00 H new ATOM 0 HG LEU A 25 0.734 7.018 3.062 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.566 5.020 1.849 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.103 4.631 3.523 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.027 4.189 2.177 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.458 6.926 0.643 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.155 6.204 0.853 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -0.836 7.854 1.437 1.00 0.00 H new ATOM 267 N GLY A 26 -1.886 6.499 6.498 1.00 0.00 N ATOM 268 CA GLY A 26 -2.520 6.094 7.713 1.00 0.00 C ATOM 269 C GLY A 26 -2.596 4.608 7.808 1.00 0.00 C ATOM 270 O GLY A 26 -3.635 4.046 8.150 1.00 0.00 O ATOM 0 H GLY A 26 -0.888 6.289 6.488 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -1.966 6.488 8.565 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -3.524 6.517 7.762 1.00 0.00 H new ATOM 274 N ILE A 27 -1.461 3.946 7.520 1.00 0.00 N ATOM 275 CA ILE A 27 -1.299 2.541 7.737 1.00 0.00 C ATOM 276 C ILE A 27 -0.049 2.300 8.510 1.00 0.00 C ATOM 277 O ILE A 27 1.009 2.849 8.205 1.00 0.00 O ATOM 278 CB ILE A 27 -1.311 1.775 6.448 1.00 0.00 C ATOM 279 CG1 ILE A 27 -0.429 2.455 5.388 1.00 0.00 C ATOM 280 CG2 ILE A 27 -2.779 1.680 6.001 1.00 0.00 C ATOM 281 CD1 ILE A 27 -0.220 1.609 4.133 1.00 0.00 C ATOM 0 H ILE A 27 -0.636 4.398 7.127 1.00 0.00 H new ATOM 0 HA ILE A 27 -2.146 2.176 8.318 1.00 0.00 H new ATOM 0 HB ILE A 27 -0.893 0.777 6.583 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -0.883 3.405 5.105 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.542 2.684 5.828 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -2.839 1.128 5.063 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -3.359 1.161 6.764 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -3.182 2.683 5.859 1.00 0.00 H new ATOM 0 HD11 ILE A 27 0.412 2.152 3.429 1.00 0.00 H new ATOM 0 HD12 ILE A 27 0.262 0.670 4.404 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -1.184 1.401 3.669 1.00 0.00 H new ATOM 293 N SER A 28 -0.143 1.482 9.573 1.00 0.00 N ATOM 294 CA SER A 28 0.975 1.001 10.325 1.00 0.00 C ATOM 295 C SER A 28 1.485 -0.296 9.797 1.00 0.00 C ATOM 296 O SER A 28 0.830 -1.333 9.879 1.00 0.00 O ATOM 297 CB SER A 28 0.736 0.807 11.831 1.00 0.00 C ATOM 298 OG SER A 28 0.750 2.081 12.458 1.00 0.00 O ATOM 0 H SER A 28 -1.038 1.140 9.924 1.00 0.00 H new ATOM 0 HA SER A 28 1.700 1.806 10.203 1.00 0.00 H new ATOM 0 HB2 SER A 28 -0.220 0.311 12.002 1.00 0.00 H new ATOM 0 HB3 SER A 28 1.508 0.167 12.258 1.00 0.00 H new ATOM 0 HG SER A 28 0.597 1.974 13.420 1.00 0.00 H new ATOM 304 N VAL A 29 2.713 -0.259 9.247 1.00 0.00 N ATOM 305 CA VAL A 29 3.282 -1.369 8.548 1.00 0.00 C ATOM 306 C VAL A 29 3.889 -2.443 9.383 1.00 0.00 C ATOM 307 O VAL A 29 4.557 -2.199 10.387 1.00 0.00 O ATOM 308 CB VAL A 29 4.263 -0.883 7.522 1.00 0.00 C ATOM 309 CG1 VAL A 29 3.513 0.078 6.586 1.00 0.00 C ATOM 310 CG2 VAL A 29 5.463 -0.182 8.180 1.00 0.00 C ATOM 0 H VAL A 29 3.322 0.558 9.289 1.00 0.00 H new ATOM 0 HA VAL A 29 2.428 -1.857 8.078 1.00 0.00 H new ATOM 0 HB VAL A 29 4.666 -1.727 6.962 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.197 0.452 5.825 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.690 -0.451 6.106 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.119 0.915 7.163 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.154 0.158 7.408 1.00 0.00 H new ATOM 0 HG22 VAL A 29 5.113 0.675 8.756 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.974 -0.881 8.843 1.00 0.00 H new ATOM 320 N THR A 30 3.688 -3.716 8.997 1.00 0.00 N ATOM 321 CA THR A 30 4.303 -4.875 9.564 1.00 0.00 C ATOM 322 C THR A 30 4.863 -5.726 8.477 1.00 0.00 C ATOM 323 O THR A 30 4.616 -5.508 7.293 1.00 0.00 O ATOM 324 CB THR A 30 3.405 -5.675 10.460 1.00 0.00 C ATOM 325 OG1 THR A 30 4.083 -6.720 11.143 1.00 0.00 O ATOM 326 CG2 THR A 30 2.231 -6.296 9.684 1.00 0.00 C ATOM 0 H THR A 30 3.051 -3.950 8.235 1.00 0.00 H new ATOM 0 HA THR A 30 5.103 -4.515 10.212 1.00 0.00 H new ATOM 0 HB THR A 30 3.035 -4.959 11.194 1.00 0.00 H new ATOM 0 HG1 THR A 30 3.449 -7.204 11.712 1.00 0.00 H new ATOM 0 HG21 THR A 30 1.604 -6.867 10.369 1.00 0.00 H new ATOM 0 HG22 THR A 30 1.639 -5.504 9.225 1.00 0.00 H new ATOM 0 HG23 THR A 30 2.617 -6.957 8.908 1.00 0.00 H new ATOM 334 N GLY A 31 5.685 -6.726 8.845 1.00 0.00 N ATOM 335 CA GLY A 31 6.361 -7.605 7.943 1.00 0.00 C ATOM 336 C GLY A 31 7.577 -7.015 7.316 1.00 0.00 C ATOM 337 O GLY A 31 8.248 -6.151 7.878 1.00 0.00 O ATOM 0 H GLY A 31 5.888 -6.931 9.823 1.00 0.00 H new ATOM 0 HA2 GLY A 31 6.645 -8.511 8.479 1.00 0.00 H new ATOM 0 HA3 GLY A 31 5.668 -7.904 7.156 1.00 0.00 H new ATOM 341 N GLY A 32 7.877 -7.472 6.087 1.00 0.00 N ATOM 342 CA GLY A 32 8.997 -7.060 5.300 1.00 0.00 C ATOM 343 C GLY A 32 10.013 -8.149 5.268 1.00 0.00 C ATOM 344 O GLY A 32 10.021 -9.028 6.127 1.00 0.00 O ATOM 0 H GLY A 32 7.303 -8.171 5.616 1.00 0.00 H new ATOM 0 HA2 GLY A 32 8.674 -6.820 4.287 1.00 0.00 H new ATOM 0 HA3 GLY A 32 9.434 -6.153 5.718 1.00 0.00 H new ATOM 348 N VAL A 33 10.953 -8.138 4.305 1.00 0.00 N ATOM 349 CA VAL A 33 11.867 -9.212 4.068 1.00 0.00 C ATOM 350 C VAL A 33 12.925 -9.382 5.102 1.00 0.00 C ATOM 351 O VAL A 33 13.891 -10.129 4.950 1.00 0.00 O ATOM 352 CB VAL A 33 12.441 -9.097 2.687 1.00 0.00 C ATOM 353 CG1 VAL A 33 13.610 -8.102 2.589 1.00 0.00 C ATOM 354 CG2 VAL A 33 12.837 -10.476 2.134 1.00 0.00 C ATOM 0 H VAL A 33 11.081 -7.352 3.668 1.00 0.00 H new ATOM 0 HA VAL A 33 11.283 -10.129 4.146 1.00 0.00 H new ATOM 0 HB VAL A 33 11.646 -8.688 2.064 1.00 0.00 H new ATOM 0 HG11 VAL A 33 13.976 -8.070 1.563 1.00 0.00 H new ATOM 0 HG12 VAL A 33 13.269 -7.110 2.884 1.00 0.00 H new ATOM 0 HG13 VAL A 33 14.415 -8.420 3.251 1.00 0.00 H new ATOM 0 HG21 VAL A 33 13.250 -10.361 1.132 1.00 0.00 H new ATOM 0 HG22 VAL A 33 13.585 -10.928 2.785 1.00 0.00 H new ATOM 0 HG23 VAL A 33 11.957 -11.118 2.093 1.00 0.00 H new ATOM 467 N GLY A 41 7.265 -7.784 0.142 1.00 0.00 N ATOM 468 CA GLY A 41 6.028 -7.106 0.373 1.00 0.00 C ATOM 469 C GLY A 41 5.940 -6.467 1.717 1.00 0.00 C ATOM 470 O GLY A 41 6.718 -6.766 2.621 1.00 0.00 O ATOM 0 HA2 GLY A 41 5.893 -6.342 -0.393 1.00 0.00 H new ATOM 0 HA3 GLY A 41 5.208 -7.816 0.263 1.00 0.00 H new ATOM 474 N ILE A 42 4.976 -5.553 1.931 1.00 0.00 N ATOM 475 CA ILE A 42 4.712 -5.051 3.244 1.00 0.00 C ATOM 476 C ILE A 42 3.269 -5.296 3.517 1.00 0.00 C ATOM 477 O ILE A 42 2.474 -5.537 2.609 1.00 0.00 O ATOM 478 CB ILE A 42 5.246 -3.678 3.527 1.00 0.00 C ATOM 479 CG1 ILE A 42 5.648 -3.497 5.000 1.00 0.00 C ATOM 480 CG2 ILE A 42 4.330 -2.495 3.167 1.00 0.00 C ATOM 481 CD1 ILE A 42 6.915 -4.270 5.364 1.00 0.00 C ATOM 0 H ILE A 42 4.382 -5.163 1.199 1.00 0.00 H new ATOM 0 HA ILE A 42 5.295 -5.595 3.987 1.00 0.00 H new ATOM 0 HB ILE A 42 6.107 -3.642 2.859 1.00 0.00 H new ATOM 0 HG12 ILE A 42 5.803 -2.437 5.203 1.00 0.00 H new ATOM 0 HG13 ILE A 42 4.829 -3.827 5.639 1.00 0.00 H new ATOM 0 HG21 ILE A 42 4.829 -1.559 3.419 1.00 0.00 H new ATOM 0 HG22 ILE A 42 4.113 -2.515 2.099 1.00 0.00 H new ATOM 0 HG23 ILE A 42 3.399 -2.572 3.728 1.00 0.00 H new ATOM 0 HD11 ILE A 42 7.152 -4.106 6.415 1.00 0.00 H new ATOM 0 HD12 ILE A 42 6.755 -5.334 5.190 1.00 0.00 H new ATOM 0 HD13 ILE A 42 7.743 -3.922 4.747 1.00 0.00 H new ATOM 493 N TYR A 43 2.865 -5.363 4.798 1.00 0.00 N ATOM 494 CA TYR A 43 1.547 -5.789 5.157 1.00 0.00 C ATOM 495 C TYR A 43 1.060 -4.791 6.152 1.00 0.00 C ATOM 496 O TYR A 43 1.844 -4.176 6.872 1.00 0.00 O ATOM 497 CB TYR A 43 1.617 -7.160 5.850 1.00 0.00 C ATOM 498 CG TYR A 43 1.988 -8.280 4.941 1.00 0.00 C ATOM 499 CD1 TYR A 43 3.278 -8.513 4.525 1.00 0.00 C ATOM 500 CD2 TYR A 43 1.001 -9.149 4.536 1.00 0.00 C ATOM 501 CE1 TYR A 43 3.560 -9.518 3.630 1.00 0.00 C ATOM 502 CE2 TYR A 43 1.285 -10.204 3.703 1.00 0.00 C ATOM 503 CZ TYR A 43 2.560 -10.367 3.218 1.00 0.00 C ATOM 504 OH TYR A 43 2.820 -11.362 2.252 1.00 0.00 O ATOM 0 H TYR A 43 3.457 -5.120 5.592 1.00 0.00 H new ATOM 0 HA TYR A 43 0.901 -5.865 4.282 1.00 0.00 H new ATOM 0 HB2 TYR A 43 2.343 -7.109 6.662 1.00 0.00 H new ATOM 0 HB3 TYR A 43 0.649 -7.377 6.301 1.00 0.00 H new ATOM 0 HD1 TYR A 43 4.080 -7.898 4.906 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -0.012 -8.999 4.878 1.00 0.00 H new ATOM 0 HE1 TYR A 43 4.564 -9.640 3.252 1.00 0.00 H new ATOM 0 HE2 TYR A 43 0.508 -10.903 3.430 1.00 0.00 H new ATOM 0 HH TYR A 43 2.001 -11.872 2.079 1.00 0.00 H new ATOM 514 N VAL A 44 -0.259 -4.552 6.257 1.00 0.00 N ATOM 515 CA VAL A 44 -0.790 -3.665 7.246 1.00 0.00 C ATOM 516 C VAL A 44 -1.013 -4.387 8.529 1.00 0.00 C ATOM 517 O VAL A 44 -1.646 -5.443 8.543 1.00 0.00 O ATOM 518 CB VAL A 44 -2.117 -3.092 6.846 1.00 0.00 C ATOM 519 CG1 VAL A 44 -2.475 -1.973 7.838 1.00 0.00 C ATOM 520 CG2 VAL A 44 -2.096 -2.533 5.413 1.00 0.00 C ATOM 0 H VAL A 44 -0.963 -4.976 5.653 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.056 -2.866 7.353 1.00 0.00 H new ATOM 0 HB VAL A 44 -2.863 -3.887 6.868 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.438 -1.541 7.567 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -2.533 -2.385 8.846 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -1.708 -1.199 7.806 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -3.078 -2.128 5.166 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -1.349 -1.742 5.342 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.846 -3.332 4.715 1.00 0.00 H new ATOM 530 N LYS A 45 -0.554 -3.862 9.679 1.00 0.00 N ATOM 531 CA LYS A 45 -0.962 -4.392 10.943 1.00 0.00 C ATOM 532 C LYS A 45 -2.185 -3.692 11.429 1.00 0.00 C ATOM 533 O LYS A 45 -3.128 -4.327 11.898 1.00 0.00 O ATOM 534 CB LYS A 45 0.131 -4.305 12.021 1.00 0.00 C ATOM 535 CG LYS A 45 0.291 -5.561 12.879 1.00 0.00 C ATOM 536 CD LYS A 45 -0.937 -6.006 13.676 1.00 0.00 C ATOM 537 CE LYS A 45 -0.714 -7.336 14.398 1.00 0.00 C ATOM 538 NZ LYS A 45 -1.940 -7.778 15.101 1.00 0.00 N ATOM 0 H LYS A 45 0.095 -3.077 9.734 1.00 0.00 H new ATOM 0 HA LYS A 45 -1.169 -5.449 10.774 1.00 0.00 H new ATOM 0 HB2 LYS A 45 1.083 -4.090 11.536 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -0.091 -3.462 12.675 1.00 0.00 H new ATOM 0 HG2 LYS A 45 0.591 -6.382 12.228 1.00 0.00 H new ATOM 0 HG3 LYS A 45 1.109 -5.394 13.579 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -1.191 -5.238 14.406 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -1.789 -6.100 13.003 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -0.410 -8.096 13.679 1.00 0.00 H new ATOM 0 HE3 LYS A 45 0.101 -7.231 15.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -1.758 -8.682 15.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -2.214 -7.062 15.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -2.710 -7.900 14.413 1.00 0.00 H new ATOM 552 N ALA A 46 -2.212 -2.350 11.354 1.00 0.00 N ATOM 553 CA ALA A 46 -3.332 -1.591 11.820 1.00 0.00 C ATOM 554 C ALA A 46 -3.639 -0.421 10.949 1.00 0.00 C ATOM 555 O ALA A 46 -2.765 0.222 10.371 1.00 0.00 O ATOM 556 CB ALA A 46 -3.163 -1.194 13.296 1.00 0.00 C ATOM 0 H ALA A 46 -1.454 -1.787 10.968 1.00 0.00 H new ATOM 0 HA ALA A 46 -4.204 -2.242 11.757 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -4.030 -0.619 13.620 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -3.075 -2.093 13.907 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.263 -0.589 13.409 1.00 0.00 H new ATOM 562 N ILE A 47 -4.953 -0.158 10.825 1.00 0.00 N ATOM 563 CA ILE A 47 -5.589 0.842 10.026 1.00 0.00 C ATOM 564 C ILE A 47 -6.044 1.935 10.932 1.00 0.00 C ATOM 565 O ILE A 47 -6.887 1.728 11.804 1.00 0.00 O ATOM 566 CB ILE A 47 -6.795 0.293 9.324 1.00 0.00 C ATOM 567 CG1 ILE A 47 -6.463 -0.933 8.456 1.00 0.00 C ATOM 568 CG2 ILE A 47 -7.476 1.375 8.469 1.00 0.00 C ATOM 569 CD1 ILE A 47 -5.480 -0.603 7.334 1.00 0.00 C ATOM 0 H ILE A 47 -5.640 -0.707 11.342 1.00 0.00 H new ATOM 0 HA ILE A 47 -4.879 1.197 9.279 1.00 0.00 H new ATOM 0 HB ILE A 47 -7.485 -0.033 10.103 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -6.042 -1.717 9.085 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -7.382 -1.329 8.025 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -8.348 0.950 7.971 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -7.790 2.200 9.109 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -6.774 1.743 7.721 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -5.279 -1.502 6.751 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -5.910 0.161 6.686 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -4.549 -0.233 7.763 1.00 0.00 H new ATOM 581 N ILE A 48 -5.511 3.159 10.774 1.00 0.00 N ATOM 582 CA ILE A 48 -5.870 4.222 11.661 1.00 0.00 C ATOM 583 C ILE A 48 -7.132 4.903 11.259 1.00 0.00 C ATOM 584 O ILE A 48 -7.465 4.864 10.076 1.00 0.00 O ATOM 585 CB ILE A 48 -4.776 5.223 11.883 1.00 0.00 C ATOM 586 CG1 ILE A 48 -4.539 6.149 10.678 1.00 0.00 C ATOM 587 CG2 ILE A 48 -3.547 4.452 12.393 1.00 0.00 C ATOM 588 CD1 ILE A 48 -3.272 6.992 10.816 1.00 0.00 C ATOM 0 H ILE A 48 -4.843 3.411 10.046 1.00 0.00 H new ATOM 0 HA ILE A 48 -6.042 3.730 12.618 1.00 0.00 H new ATOM 0 HB ILE A 48 -5.061 5.946 12.648 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -4.472 5.547 9.772 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -5.398 6.810 10.559 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -2.727 5.149 12.567 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -3.796 3.945 13.325 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -3.245 3.715 11.649 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -3.158 7.625 9.936 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -3.346 7.618 11.706 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -2.406 6.336 10.905 1.00 0.00 H new ATOM 643 N ALA A 52 -6.094 8.837 5.256 1.00 0.00 N ATOM 644 CA ALA A 52 -6.286 8.771 3.840 1.00 0.00 C ATOM 645 C ALA A 52 -6.609 7.383 3.407 1.00 0.00 C ATOM 646 O ALA A 52 -7.477 7.170 2.563 1.00 0.00 O ATOM 647 CB ALA A 52 -5.033 9.291 3.114 1.00 0.00 C ATOM 0 HA ALA A 52 -7.133 9.405 3.577 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -5.188 9.237 2.036 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -4.848 10.326 3.403 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -4.174 8.679 3.388 1.00 0.00 H new ATOM 653 N ALA A 53 -5.918 6.378 3.976 1.00 0.00 N ATOM 654 CA ALA A 53 -6.007 4.994 3.626 1.00 0.00 C ATOM 655 C ALA A 53 -7.274 4.314 4.015 1.00 0.00 C ATOM 656 O ALA A 53 -7.917 3.677 3.182 1.00 0.00 O ATOM 657 CB ALA A 53 -4.800 4.262 4.237 1.00 0.00 C ATOM 0 H ALA A 53 -5.253 6.545 4.731 1.00 0.00 H new ATOM 0 HA ALA A 53 -6.003 4.952 2.537 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -4.849 3.203 3.981 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -3.878 4.688 3.842 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -4.817 4.375 5.321 1.00 0.00 H new ATOM 663 N GLU A 54 -7.734 4.452 5.271 1.00 0.00 N ATOM 664 CA GLU A 54 -9.010 3.955 5.682 1.00 0.00 C ATOM 665 C GLU A 54 -10.126 4.606 4.940 1.00 0.00 C ATOM 666 O GLU A 54 -11.174 4.021 4.668 1.00 0.00 O ATOM 667 CB GLU A 54 -9.259 4.156 7.186 1.00 0.00 C ATOM 668 CG GLU A 54 -10.635 3.656 7.627 1.00 0.00 C ATOM 669 CD GLU A 54 -10.827 3.478 9.126 1.00 0.00 C ATOM 670 OE1 GLU A 54 -10.363 2.450 9.688 1.00 0.00 O ATOM 671 OE2 GLU A 54 -11.536 4.318 9.742 1.00 0.00 O ATOM 0 H GLU A 54 -7.211 4.916 6.014 1.00 0.00 H new ATOM 0 HA GLU A 54 -8.988 2.889 5.458 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -8.488 3.632 7.751 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -9.167 5.215 7.427 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -11.388 4.355 7.264 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -10.827 2.700 7.139 1.00 0.00 H new ATOM 678 N SER A 55 -9.908 5.870 4.535 1.00 0.00 N ATOM 679 CA SER A 55 -10.835 6.614 3.742 1.00 0.00 C ATOM 680 C SER A 55 -10.997 6.160 2.333 1.00 0.00 C ATOM 681 O SER A 55 -11.859 6.690 1.635 1.00 0.00 O ATOM 682 CB SER A 55 -10.528 8.122 3.708 1.00 0.00 C ATOM 683 OG SER A 55 -10.381 8.641 5.022 1.00 0.00 O ATOM 0 H SER A 55 -9.061 6.389 4.767 1.00 0.00 H new ATOM 0 HA SER A 55 -11.771 6.419 4.265 1.00 0.00 H new ATOM 0 HB2 SER A 55 -9.615 8.298 3.139 1.00 0.00 H new ATOM 0 HB3 SER A 55 -11.331 8.649 3.193 1.00 0.00 H new ATOM 0 HG SER A 55 -10.185 9.600 4.975 1.00 0.00 H new ATOM 689 N ASP A 56 -10.266 5.140 1.848 1.00 0.00 N ATOM 690 CA ASP A 56 -10.683 4.379 0.710 1.00 0.00 C ATOM 691 C ASP A 56 -11.848 3.550 1.130 1.00 0.00 C ATOM 692 O ASP A 56 -13.007 3.912 0.938 1.00 0.00 O ATOM 693 CB ASP A 56 -9.532 3.511 0.175 1.00 0.00 C ATOM 694 CG ASP A 56 -9.970 2.718 -1.048 1.00 0.00 C ATOM 695 OD1 ASP A 56 -10.084 3.326 -2.145 1.00 0.00 O ATOM 696 OD2 ASP A 56 -10.278 1.505 -0.905 1.00 0.00 O ATOM 0 H ASP A 56 -9.377 4.840 2.249 1.00 0.00 H new ATOM 0 HA ASP A 56 -10.972 5.039 -0.107 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -8.683 4.145 -0.083 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -9.194 2.828 0.954 1.00 0.00 H new ATOM 701 N GLY A 57 -11.573 2.411 1.791 1.00 0.00 N ATOM 702 CA GLY A 57 -12.588 1.705 2.510 1.00 0.00 C ATOM 703 C GLY A 57 -12.284 0.248 2.591 1.00 0.00 C ATOM 704 O GLY A 57 -12.589 -0.419 3.578 1.00 0.00 O ATOM 0 H GLY A 57 -10.649 1.980 1.828 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -12.676 2.116 3.516 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -13.551 1.851 2.020 1.00 0.00 H new ATOM 708 N ARG A 58 -11.656 -0.289 1.530 1.00 0.00 N ATOM 709 CA ARG A 58 -11.481 -1.695 1.335 1.00 0.00 C ATOM 710 C ARG A 58 -10.488 -2.353 2.230 1.00 0.00 C ATOM 711 O ARG A 58 -10.608 -3.547 2.498 1.00 0.00 O ATOM 712 CB ARG A 58 -11.105 -1.923 -0.139 1.00 0.00 C ATOM 713 CG ARG A 58 -12.288 -1.743 -1.092 1.00 0.00 C ATOM 714 CD ARG A 58 -11.878 -1.566 -2.555 1.00 0.00 C ATOM 715 NE ARG A 58 -11.513 -0.134 -2.744 1.00 0.00 N ATOM 716 CZ ARG A 58 -12.158 0.685 -3.625 1.00 0.00 C ATOM 717 NH1 ARG A 58 -12.932 0.201 -4.640 1.00 0.00 N ATOM 718 NH2 ARG A 58 -12.030 2.037 -3.485 1.00 0.00 N ATOM 0 H ARG A 58 -11.256 0.276 0.781 1.00 0.00 H new ATOM 0 HA ARG A 58 -12.427 -2.167 1.600 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -10.312 -1.229 -0.418 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -10.703 -2.929 -0.254 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -12.944 -2.610 -1.010 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -12.867 -0.874 -0.778 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -11.035 -2.213 -2.798 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -12.696 -1.845 -3.219 1.00 0.00 H new ATOM 0 HE ARG A 58 -10.748 0.251 -2.191 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -13.044 -0.806 -4.760 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -13.398 0.846 -5.278 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -11.459 2.420 -2.731 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -12.505 2.664 -4.134 1.00 0.00 H new ATOM 732 N ILE A 59 -9.479 -1.621 2.736 1.00 0.00 N ATOM 733 CA ILE A 59 -8.405 -2.147 3.520 1.00 0.00 C ATOM 734 C ILE A 59 -8.804 -2.575 4.890 1.00 0.00 C ATOM 735 O ILE A 59 -9.586 -1.911 5.569 1.00 0.00 O ATOM 736 CB ILE A 59 -7.251 -1.199 3.660 1.00 0.00 C ATOM 737 CG1 ILE A 59 -7.297 -0.010 2.685 1.00 0.00 C ATOM 738 CG2 ILE A 59 -5.967 -2.032 3.508 1.00 0.00 C ATOM 739 CD1 ILE A 59 -6.105 0.933 2.841 1.00 0.00 C ATOM 0 H ILE A 59 -9.409 -0.614 2.591 1.00 0.00 H new ATOM 0 HA ILE A 59 -8.098 -3.023 2.949 1.00 0.00 H new ATOM 0 HB ILE A 59 -7.293 -0.724 4.640 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -7.325 -0.386 1.662 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -8.219 0.549 2.844 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -5.098 -1.381 3.603 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -5.935 -2.796 4.285 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -5.957 -2.510 2.528 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -6.193 1.752 2.127 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -6.089 1.335 3.854 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -5.181 0.386 2.653 1.00 0.00 H new ATOM 751 N HIS A 60 -8.244 -3.693 5.387 1.00 0.00 N ATOM 752 CA HIS A 60 -8.303 -4.027 6.776 1.00 0.00 C ATOM 753 C HIS A 60 -6.969 -4.466 7.271 1.00 0.00 C ATOM 754 O HIS A 60 -5.931 -4.272 6.637 1.00 0.00 O ATOM 755 CB HIS A 60 -9.412 -5.046 7.088 1.00 0.00 C ATOM 756 CG HIS A 60 -10.000 -4.854 8.455 1.00 0.00 C ATOM 757 ND1 HIS A 60 -9.627 -5.657 9.515 1.00 0.00 N ATOM 758 CD2 HIS A 60 -10.845 -3.875 8.872 1.00 0.00 C ATOM 759 CE1 HIS A 60 -10.249 -5.151 10.563 1.00 0.00 C ATOM 760 NE2 HIS A 60 -11.003 -4.069 10.230 1.00 0.00 N ATOM 0 H HIS A 60 -7.743 -4.374 4.817 1.00 0.00 H new ATOM 0 HA HIS A 60 -8.573 -3.123 7.321 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -10.201 -4.960 6.341 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -9.007 -6.055 7.009 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -11.299 -3.105 8.267 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -10.169 -5.548 11.564 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -11.575 -3.509 10.862 1.00 0.00 H new ATOM 768 N LYS A 61 -6.921 -5.064 8.474 1.00 0.00 N ATOM 769 CA LYS A 61 -5.706 -5.480 9.103 1.00 0.00 C ATOM 770 C LYS A 61 -5.257 -6.788 8.548 1.00 0.00 C ATOM 771 O LYS A 61 -6.042 -7.714 8.355 1.00 0.00 O ATOM 772 CB LYS A 61 -5.914 -5.645 10.619 1.00 0.00 C ATOM 773 CG LYS A 61 -6.398 -4.378 11.327 1.00 0.00 C ATOM 774 CD LYS A 61 -6.784 -4.583 12.794 1.00 0.00 C ATOM 775 CE LYS A 61 -5.674 -5.092 13.717 1.00 0.00 C ATOM 776 NZ LYS A 61 -6.227 -5.338 15.068 1.00 0.00 N ATOM 0 H LYS A 61 -7.754 -5.265 9.027 1.00 0.00 H new ATOM 0 HA LYS A 61 -4.953 -4.715 8.913 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -6.637 -6.442 10.791 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -4.975 -5.964 11.071 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -5.613 -3.623 11.272 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -7.259 -3.982 10.789 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -7.150 -3.635 13.188 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -7.615 -5.288 12.835 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -5.246 -6.010 13.315 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -4.867 -4.361 13.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -5.472 -5.684 15.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -6.616 -4.452 15.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -6.982 -6.051 15.010 1.00 0.00 H new ATOM 790 N GLY A 62 -3.955 -6.932 8.239 1.00 0.00 N ATOM 791 CA GLY A 62 -3.399 -8.132 7.698 1.00 0.00 C ATOM 792 C GLY A 62 -3.391 -8.197 6.209 1.00 0.00 C ATOM 793 O GLY A 62 -2.961 -9.204 5.649 1.00 0.00 O ATOM 0 H GLY A 62 -3.268 -6.189 8.370 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -2.376 -8.237 8.058 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -3.961 -8.983 8.083 1.00 0.00 H new ATOM 797 N ASP A 63 -3.847 -7.136 5.519 1.00 0.00 N ATOM 798 CA ASP A 63 -3.828 -7.042 4.092 1.00 0.00 C ATOM 799 C ASP A 63 -2.453 -6.793 3.575 1.00 0.00 C ATOM 800 O ASP A 63 -1.595 -6.223 4.246 1.00 0.00 O ATOM 801 CB ASP A 63 -4.782 -5.952 3.577 1.00 0.00 C ATOM 802 CG ASP A 63 -6.248 -6.349 3.679 1.00 0.00 C ATOM 803 OD1 ASP A 63 -6.581 -7.557 3.821 1.00 0.00 O ATOM 804 OD2 ASP A 63 -7.104 -5.431 3.569 1.00 0.00 O ATOM 0 H ASP A 63 -4.244 -6.313 5.972 1.00 0.00 H new ATOM 0 HA ASP A 63 -4.172 -8.006 3.716 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -4.619 -5.036 4.145 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -4.543 -5.729 2.537 1.00 0.00 H new ATOM 809 N ARG A 64 -2.188 -7.256 2.340 1.00 0.00 N ATOM 810 CA ARG A 64 -0.878 -7.338 1.771 1.00 0.00 C ATOM 811 C ARG A 64 -0.716 -6.267 0.748 1.00 0.00 C ATOM 812 O ARG A 64 -1.374 -6.283 -0.291 1.00 0.00 O ATOM 813 CB ARG A 64 -0.716 -8.735 1.150 1.00 0.00 C ATOM 814 CG ARG A 64 0.661 -9.113 0.600 1.00 0.00 C ATOM 815 CD ARG A 64 0.914 -8.749 -0.864 1.00 0.00 C ATOM 816 NE ARG A 64 2.149 -9.460 -1.296 1.00 0.00 N ATOM 817 CZ ARG A 64 2.284 -10.065 -2.512 1.00 0.00 C ATOM 818 NH1 ARG A 64 1.225 -10.302 -3.341 1.00 0.00 N ATOM 819 NH2 ARG A 64 3.524 -10.454 -2.928 1.00 0.00 N ATOM 0 H ARG A 64 -2.919 -7.588 1.710 1.00 0.00 H new ATOM 0 HA ARG A 64 -0.109 -7.193 2.530 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -0.989 -9.472 1.905 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -1.438 -8.827 0.339 1.00 0.00 H new ATOM 0 HG2 ARG A 64 1.422 -8.629 1.212 1.00 0.00 H new ATOM 0 HG3 ARG A 64 0.795 -10.188 0.716 1.00 0.00 H new ATOM 0 HD2 ARG A 64 0.067 -9.042 -1.484 1.00 0.00 H new ATOM 0 HD3 ARG A 64 1.033 -7.671 -0.976 1.00 0.00 H new ATOM 0 HE ARG A 64 2.936 -9.497 -0.648 1.00 0.00 H new ATOM 0 HH11 ARG A 64 0.285 -10.024 -3.060 1.00 0.00 H new ATOM 0 HH12 ARG A 64 1.374 -10.757 -4.241 1.00 0.00 H new ATOM 0 HH21 ARG A 64 4.336 -10.292 -2.332 1.00 0.00 H new ATOM 0 HH22 ARG A 64 3.639 -10.907 -3.835 1.00 0.00 H new ATOM 833 N VAL A 65 0.178 -5.286 0.966 1.00 0.00 N ATOM 834 CA VAL A 65 0.489 -4.310 -0.032 1.00 0.00 C ATOM 835 C VAL A 65 1.669 -4.780 -0.813 1.00 0.00 C ATOM 836 O VAL A 65 2.749 -5.059 -0.294 1.00 0.00 O ATOM 837 CB VAL A 65 0.588 -2.895 0.454 1.00 0.00 C ATOM 838 CG1 VAL A 65 1.541 -2.802 1.657 1.00 0.00 C ATOM 839 CG2 VAL A 65 1.013 -1.924 -0.660 1.00 0.00 C ATOM 0 H VAL A 65 0.689 -5.169 1.841 1.00 0.00 H new ATOM 0 HA VAL A 65 -0.369 -4.238 -0.700 1.00 0.00 H new ATOM 0 HB VAL A 65 -0.409 -2.593 0.774 1.00 0.00 H new ATOM 0 HG11 VAL A 65 1.600 -1.768 1.995 1.00 0.00 H new ATOM 0 HG12 VAL A 65 1.167 -3.428 2.467 1.00 0.00 H new ATOM 0 HG13 VAL A 65 2.533 -3.144 1.363 1.00 0.00 H new ATOM 0 HG21 VAL A 65 1.070 -0.912 -0.258 1.00 0.00 H new ATOM 0 HG22 VAL A 65 1.989 -2.217 -1.045 1.00 0.00 H new ATOM 0 HG23 VAL A 65 0.281 -1.953 -1.467 1.00 0.00 H new ATOM 849 N LEU A 66 1.479 -4.949 -2.133 1.00 0.00 N ATOM 850 CA LEU A 66 2.487 -5.434 -3.024 1.00 0.00 C ATOM 851 C LEU A 66 3.218 -4.315 -3.685 1.00 0.00 C ATOM 852 O LEU A 66 4.438 -4.388 -3.818 1.00 0.00 O ATOM 853 CB LEU A 66 1.937 -6.471 -4.019 1.00 0.00 C ATOM 854 CG LEU A 66 0.617 -6.163 -4.744 1.00 0.00 C ATOM 855 CD1 LEU A 66 0.595 -6.886 -6.102 1.00 0.00 C ATOM 856 CD2 LEU A 66 -0.607 -6.625 -3.934 1.00 0.00 C ATOM 0 H LEU A 66 0.594 -4.741 -2.596 1.00 0.00 H new ATOM 0 HA LEU A 66 3.223 -5.969 -2.423 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.701 -6.640 -4.778 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.809 -7.411 -3.482 1.00 0.00 H new ATOM 0 HG LEU A 66 0.562 -5.082 -4.873 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.341 -6.667 -6.616 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.432 -6.543 -6.711 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.679 -7.961 -5.943 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.518 -6.388 -4.484 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.551 -7.701 -3.772 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.620 -6.114 -2.971 1.00 0.00 H new ATOM 868 N ALA A 67 2.537 -3.230 -4.094 1.00 0.00 N ATOM 869 CA ALA A 67 3.224 -2.200 -4.809 1.00 0.00 C ATOM 870 C ALA A 67 2.728 -0.823 -4.531 1.00 0.00 C ATOM 871 O ALA A 67 1.552 -0.615 -4.236 1.00 0.00 O ATOM 872 CB ALA A 67 3.174 -2.477 -6.320 1.00 0.00 C ATOM 0 H ALA A 67 1.542 -3.067 -3.937 1.00 0.00 H new ATOM 0 HA ALA A 67 4.252 -2.229 -4.449 1.00 0.00 H new ATOM 0 HB1 ALA A 67 3.701 -1.685 -6.853 1.00 0.00 H new ATOM 0 HB2 ALA A 67 3.650 -3.435 -6.530 1.00 0.00 H new ATOM 0 HB3 ALA A 67 2.136 -2.508 -6.650 1.00 0.00 H new ATOM 878 N VAL A 68 3.610 0.191 -4.604 1.00 0.00 N ATOM 879 CA VAL A 68 3.300 1.535 -4.223 1.00 0.00 C ATOM 880 C VAL A 68 3.666 2.535 -5.263 1.00 0.00 C ATOM 881 O VAL A 68 4.839 2.681 -5.606 1.00 0.00 O ATOM 882 CB VAL A 68 3.973 1.941 -2.946 1.00 0.00 C ATOM 883 CG1 VAL A 68 3.356 3.259 -2.450 1.00 0.00 C ATOM 884 CG2 VAL A 68 3.802 0.846 -1.879 1.00 0.00 C ATOM 0 H VAL A 68 4.567 0.072 -4.938 1.00 0.00 H new ATOM 0 HA VAL A 68 2.218 1.531 -4.088 1.00 0.00 H new ATOM 0 HB VAL A 68 5.039 2.080 -3.128 1.00 0.00 H new ATOM 0 HG11 VAL A 68 3.840 3.561 -1.521 1.00 0.00 H new ATOM 0 HG12 VAL A 68 3.500 4.034 -3.203 1.00 0.00 H new ATOM 0 HG13 VAL A 68 2.290 3.118 -2.274 1.00 0.00 H new ATOM 0 HG21 VAL A 68 4.296 1.155 -0.958 1.00 0.00 H new ATOM 0 HG22 VAL A 68 2.741 0.688 -1.686 1.00 0.00 H new ATOM 0 HG23 VAL A 68 4.248 -0.082 -2.236 1.00 0.00 H new ATOM 894 N ASN A 69 2.679 3.268 -5.811 1.00 0.00 N ATOM 895 CA ASN A 69 2.769 4.128 -6.949 1.00 0.00 C ATOM 896 C ASN A 69 3.472 3.562 -8.134 1.00 0.00 C ATOM 897 O ASN A 69 4.208 4.233 -8.856 1.00 0.00 O ATOM 898 CB ASN A 69 3.066 5.604 -6.632 1.00 0.00 C ATOM 899 CG ASN A 69 4.421 5.892 -6.002 1.00 0.00 C ATOM 900 OD1 ASN A 69 4.526 6.442 -4.906 1.00 0.00 O ATOM 901 ND2 ASN A 69 5.516 5.572 -6.742 1.00 0.00 N ATOM 0 H ASN A 69 1.737 3.256 -5.421 1.00 0.00 H new ATOM 0 HA ASN A 69 1.739 4.166 -7.303 1.00 0.00 H new ATOM 0 HB2 ASN A 69 2.989 6.176 -7.557 1.00 0.00 H new ATOM 0 HB3 ASN A 69 2.290 5.974 -5.962 1.00 0.00 H new ATOM 0 HD21 ASN A 69 6.449 5.788 -6.391 1.00 0.00 H new ATOM 0 HD22 ASN A 69 5.404 5.116 -7.648 1.00 0.00 H new ATOM 908 N GLY A 70 3.258 2.256 -8.369 1.00 0.00 N ATOM 909 CA GLY A 70 3.847 1.535 -9.454 1.00 0.00 C ATOM 910 C GLY A 70 5.073 0.771 -9.086 1.00 0.00 C ATOM 911 O GLY A 70 5.731 0.208 -9.961 1.00 0.00 O ATOM 0 H GLY A 70 2.653 1.681 -7.783 1.00 0.00 H new ATOM 0 HA2 GLY A 70 3.109 0.843 -9.859 1.00 0.00 H new ATOM 0 HA3 GLY A 70 4.095 2.237 -10.250 1.00 0.00 H new ATOM 915 N VAL A 71 5.433 0.727 -7.792 1.00 0.00 N ATOM 916 CA VAL A 71 6.697 0.233 -7.342 1.00 0.00 C ATOM 917 C VAL A 71 6.503 -0.898 -6.390 1.00 0.00 C ATOM 918 O VAL A 71 6.123 -0.705 -5.237 1.00 0.00 O ATOM 919 CB VAL A 71 7.571 1.263 -6.689 1.00 0.00 C ATOM 920 CG1 VAL A 71 8.981 0.691 -6.459 1.00 0.00 C ATOM 921 CG2 VAL A 71 7.671 2.486 -7.615 1.00 0.00 C ATOM 0 H VAL A 71 4.827 1.045 -7.036 1.00 0.00 H new ATOM 0 HA VAL A 71 7.211 -0.093 -8.246 1.00 0.00 H new ATOM 0 HB VAL A 71 7.140 1.547 -5.729 1.00 0.00 H new ATOM 0 HG11 VAL A 71 9.607 1.447 -5.985 1.00 0.00 H new ATOM 0 HG12 VAL A 71 8.917 -0.185 -5.814 1.00 0.00 H new ATOM 0 HG13 VAL A 71 9.418 0.406 -7.416 1.00 0.00 H new ATOM 0 HG21 VAL A 71 8.304 3.243 -7.151 1.00 0.00 H new ATOM 0 HG22 VAL A 71 8.104 2.186 -8.569 1.00 0.00 H new ATOM 0 HG23 VAL A 71 6.676 2.898 -7.782 1.00 0.00 H new ATOM 931 N SER A 72 6.765 -2.140 -6.835 1.00 0.00 N ATOM 932 CA SER A 72 6.771 -3.315 -6.020 1.00 0.00 C ATOM 933 C SER A 72 7.781 -3.253 -4.927 1.00 0.00 C ATOM 934 O SER A 72 8.904 -2.783 -5.106 1.00 0.00 O ATOM 935 CB SER A 72 6.986 -4.598 -6.840 1.00 0.00 C ATOM 936 OG SER A 72 6.697 -5.782 -6.111 1.00 0.00 O ATOM 0 H SER A 72 6.984 -2.334 -7.812 1.00 0.00 H new ATOM 0 HA SER A 72 5.779 -3.350 -5.570 1.00 0.00 H new ATOM 0 HB2 SER A 72 6.356 -4.563 -7.729 1.00 0.00 H new ATOM 0 HB3 SER A 72 8.020 -4.633 -7.183 1.00 0.00 H new ATOM 0 HG SER A 72 6.850 -6.563 -6.682 1.00 0.00 H new ATOM 942 N LEU A 73 7.397 -3.730 -3.730 1.00 0.00 N ATOM 943 CA LEU A 73 8.167 -3.747 -2.525 1.00 0.00 C ATOM 944 C LEU A 73 9.173 -4.846 -2.532 1.00 0.00 C ATOM 945 O LEU A 73 9.200 -5.743 -1.691 1.00 0.00 O ATOM 946 CB LEU A 73 7.190 -3.859 -1.343 1.00 0.00 C ATOM 947 CG LEU A 73 6.489 -2.532 -1.001 1.00 0.00 C ATOM 948 CD1 LEU A 73 5.080 -2.777 -0.436 1.00 0.00 C ATOM 949 CD2 LEU A 73 7.294 -1.733 0.036 1.00 0.00 C ATOM 0 H LEU A 73 6.471 -4.137 -3.595 1.00 0.00 H new ATOM 0 HA LEU A 73 8.742 -2.826 -2.434 1.00 0.00 H new ATOM 0 HB2 LEU A 73 6.435 -4.611 -1.575 1.00 0.00 H new ATOM 0 HB3 LEU A 73 7.732 -4.212 -0.466 1.00 0.00 H new ATOM 0 HG LEU A 73 6.418 -1.964 -1.929 1.00 0.00 H new ATOM 0 HD11 LEU A 73 4.610 -1.821 -0.204 1.00 0.00 H new ATOM 0 HD12 LEU A 73 4.479 -3.307 -1.175 1.00 0.00 H new ATOM 0 HD13 LEU A 73 5.151 -3.376 0.472 1.00 0.00 H new ATOM 0 HD21 LEU A 73 6.776 -0.800 0.259 1.00 0.00 H new ATOM 0 HD22 LEU A 73 7.394 -2.320 0.949 1.00 0.00 H new ATOM 0 HD23 LEU A 73 8.284 -1.512 -0.364 1.00 0.00 H new ATOM 961 N GLU A 74 10.077 -4.782 -3.527 1.00 0.00 N ATOM 962 CA GLU A 74 11.019 -5.790 -3.902 1.00 0.00 C ATOM 963 C GLU A 74 12.202 -5.807 -2.995 1.00 0.00 C ATOM 964 O GLU A 74 13.062 -4.928 -3.025 1.00 0.00 O ATOM 965 CB GLU A 74 11.460 -5.568 -5.358 1.00 0.00 C ATOM 966 CG GLU A 74 11.627 -6.854 -6.172 1.00 0.00 C ATOM 967 CD GLU A 74 12.607 -7.855 -5.578 1.00 0.00 C ATOM 968 OE1 GLU A 74 13.835 -7.573 -5.572 1.00 0.00 O ATOM 969 OE2 GLU A 74 12.170 -8.953 -5.142 1.00 0.00 O ATOM 0 H GLU A 74 10.153 -3.954 -4.118 1.00 0.00 H new ATOM 0 HA GLU A 74 10.531 -6.761 -3.814 1.00 0.00 H new ATOM 0 HB2 GLU A 74 10.727 -4.931 -5.854 1.00 0.00 H new ATOM 0 HB3 GLU A 74 12.406 -5.026 -5.360 1.00 0.00 H new ATOM 0 HG2 GLU A 74 10.654 -7.334 -6.273 1.00 0.00 H new ATOM 0 HG3 GLU A 74 11.959 -6.592 -7.177 1.00 0.00 H new ATOM 976 N GLY A 75 12.273 -6.810 -2.102 1.00 0.00 N ATOM 977 CA GLY A 75 13.299 -6.910 -1.112 1.00 0.00 C ATOM 978 C GLY A 75 13.179 -5.913 -0.011 1.00 0.00 C ATOM 979 O GLY A 75 14.152 -5.628 0.685 1.00 0.00 O ATOM 0 H GLY A 75 11.597 -7.573 -2.068 1.00 0.00 H new ATOM 0 HA2 GLY A 75 13.280 -7.912 -0.684 1.00 0.00 H new ATOM 0 HA3 GLY A 75 14.269 -6.788 -1.595 1.00 0.00 H new ATOM 983 N ALA A 76 11.979 -5.346 0.205 1.00 0.00 N ATOM 984 CA ALA A 76 11.782 -4.308 1.169 1.00 0.00 C ATOM 985 C ALA A 76 11.516 -4.825 2.541 1.00 0.00 C ATOM 986 O ALA A 76 10.842 -5.833 2.743 1.00 0.00 O ATOM 987 CB ALA A 76 10.704 -3.330 0.674 1.00 0.00 C ATOM 0 H ALA A 76 11.132 -5.612 -0.297 1.00 0.00 H new ATOM 0 HA ALA A 76 12.718 -3.757 1.264 1.00 0.00 H new ATOM 0 HB1 ALA A 76 10.560 -2.543 1.414 1.00 0.00 H new ATOM 0 HB2 ALA A 76 11.020 -2.887 -0.270 1.00 0.00 H new ATOM 0 HB3 ALA A 76 9.766 -3.866 0.527 1.00 0.00 H new ATOM 993 N THR A 77 12.077 -4.158 3.566 1.00 0.00 N ATOM 994 CA THR A 77 12.067 -4.517 4.950 1.00 0.00 C ATOM 995 C THR A 77 11.101 -3.653 5.685 1.00 0.00 C ATOM 996 O THR A 77 10.204 -3.068 5.078 1.00 0.00 O ATOM 997 CB THR A 77 13.422 -4.345 5.570 1.00 0.00 C ATOM 998 OG1 THR A 77 13.905 -3.009 5.556 1.00 0.00 O ATOM 999 CG2 THR A 77 14.451 -5.152 4.761 1.00 0.00 C ATOM 0 H THR A 77 12.584 -3.287 3.408 1.00 0.00 H new ATOM 0 HA THR A 77 11.777 -5.565 5.018 1.00 0.00 H new ATOM 0 HB THR A 77 13.307 -4.673 6.603 1.00 0.00 H new ATOM 0 HG1 THR A 77 14.789 -2.976 5.977 1.00 0.00 H new ATOM 0 HG21 THR A 77 15.439 -5.032 5.206 1.00 0.00 H new ATOM 0 HG22 THR A 77 14.175 -6.206 4.770 1.00 0.00 H new ATOM 0 HG23 THR A 77 14.470 -4.791 3.733 1.00 0.00 H new ATOM 1007 N HIS A 78 11.247 -3.459 7.008 1.00 0.00 N ATOM 1008 CA HIS A 78 10.500 -2.466 7.715 1.00 0.00 C ATOM 1009 C HIS A 78 10.924 -1.091 7.330 1.00 0.00 C ATOM 1010 O HIS A 78 10.086 -0.271 6.956 1.00 0.00 O ATOM 1011 CB HIS A 78 10.575 -2.598 9.246 1.00 0.00 C ATOM 1012 CG HIS A 78 9.848 -1.521 9.996 1.00 0.00 C ATOM 1013 ND1 HIS A 78 8.480 -1.449 10.023 1.00 0.00 N ATOM 1014 CD2 HIS A 78 10.311 -0.405 10.619 1.00 0.00 C ATOM 1015 CE1 HIS A 78 8.119 -0.333 10.628 1.00 0.00 C ATOM 1016 NE2 HIS A 78 9.208 0.312 11.001 1.00 0.00 N ATOM 0 H HIS A 78 11.888 -3.995 7.592 1.00 0.00 H new ATOM 0 HA HIS A 78 9.464 -2.639 7.422 1.00 0.00 H new ATOM 0 HB2 HIS A 78 10.166 -3.566 9.536 1.00 0.00 H new ATOM 0 HB3 HIS A 78 11.622 -2.591 9.548 1.00 0.00 H new ATOM 0 HD2 HIS A 78 11.345 -0.137 10.781 1.00 0.00 H new ATOM 0 HE1 HIS A 78 7.103 -0.003 10.790 1.00 0.00 H new ATOM 0 HE2 HIS A 78 9.226 1.204 11.496 1.00 0.00 H new ATOM 1025 N LYS A 79 12.233 -0.786 7.362 1.00 0.00 N ATOM 1026 CA LYS A 79 12.757 0.465 6.909 1.00 0.00 C ATOM 1027 C LYS A 79 12.475 0.708 5.466 1.00 0.00 C ATOM 1028 O LYS A 79 11.924 1.743 5.095 1.00 0.00 O ATOM 1029 CB LYS A 79 14.275 0.589 7.128 1.00 0.00 C ATOM 1030 CG LYS A 79 14.810 1.994 6.847 1.00 0.00 C ATOM 1031 CD LYS A 79 16.325 2.094 6.659 1.00 0.00 C ATOM 1032 CE LYS A 79 17.162 1.861 7.917 1.00 0.00 C ATOM 1033 NZ LYS A 79 18.551 2.319 7.682 1.00 0.00 N ATOM 0 H LYS A 79 12.946 -1.426 7.712 1.00 0.00 H new ATOM 0 HA LYS A 79 12.246 1.214 7.513 1.00 0.00 H new ATOM 0 HB2 LYS A 79 14.511 0.316 8.157 1.00 0.00 H new ATOM 0 HB3 LYS A 79 14.788 -0.124 6.483 1.00 0.00 H new ATOM 0 HG2 LYS A 79 14.324 2.377 5.950 1.00 0.00 H new ATOM 0 HG3 LYS A 79 14.519 2.646 7.670 1.00 0.00 H new ATOM 0 HD2 LYS A 79 16.628 1.370 5.903 1.00 0.00 H new ATOM 0 HD3 LYS A 79 16.560 3.083 6.265 1.00 0.00 H new ATOM 0 HE2 LYS A 79 16.728 2.400 8.759 1.00 0.00 H new ATOM 0 HE3 LYS A 79 17.157 0.803 8.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 19.119 2.160 8.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 18.963 1.786 6.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 18.548 3.333 7.452 1.00 0.00 H new ATOM 1047 N GLN A 80 12.809 -0.253 4.586 1.00 0.00 N ATOM 1048 CA GLN A 80 12.655 -0.077 3.176 1.00 0.00 C ATOM 1049 C GLN A 80 11.239 0.095 2.741 1.00 0.00 C ATOM 1050 O GLN A 80 10.955 0.892 1.849 1.00 0.00 O ATOM 1051 CB GLN A 80 13.350 -1.230 2.433 1.00 0.00 C ATOM 1052 CG GLN A 80 14.456 -0.810 1.462 1.00 0.00 C ATOM 1053 CD GLN A 80 15.244 -2.045 1.051 1.00 0.00 C ATOM 1054 OE1 GLN A 80 15.868 -2.688 1.893 1.00 0.00 O ATOM 1055 NE2 GLN A 80 15.200 -2.415 -0.257 1.00 0.00 N ATOM 0 H GLN A 80 13.189 -1.160 4.855 1.00 0.00 H new ATOM 0 HA GLN A 80 13.139 0.864 2.913 1.00 0.00 H new ATOM 0 HB2 GLN A 80 13.776 -1.911 3.170 1.00 0.00 H new ATOM 0 HB3 GLN A 80 12.596 -1.790 1.879 1.00 0.00 H new ATOM 0 HG2 GLN A 80 14.025 -0.328 0.584 1.00 0.00 H new ATOM 0 HG3 GLN A 80 15.115 -0.081 1.934 1.00 0.00 H new ATOM 0 HE21 GLN A 80 14.672 -1.857 -0.927 1.00 0.00 H new ATOM 0 HE22 GLN A 80 15.695 -3.251 -0.567 1.00 0.00 H new ATOM 1064 N ALA A 81 10.267 -0.591 3.369 1.00 0.00 N ATOM 1065 CA ALA A 81 8.881 -0.343 3.123 1.00 0.00 C ATOM 1066 C ALA A 81 8.399 1.003 3.543 1.00 0.00 C ATOM 1067 O ALA A 81 7.670 1.651 2.793 1.00 0.00 O ATOM 1068 CB ALA A 81 8.003 -1.375 3.850 1.00 0.00 C ATOM 0 H ALA A 81 10.445 -1.325 4.054 1.00 0.00 H new ATOM 0 HA ALA A 81 8.793 -0.412 2.039 1.00 0.00 H new ATOM 0 HB1 ALA A 81 6.953 -1.166 3.648 1.00 0.00 H new ATOM 0 HB2 ALA A 81 8.249 -2.376 3.495 1.00 0.00 H new ATOM 0 HB3 ALA A 81 8.185 -1.316 4.923 1.00 0.00 H new ATOM 1074 N VAL A 82 8.812 1.504 4.720 1.00 0.00 N ATOM 1075 CA VAL A 82 8.493 2.824 5.166 1.00 0.00 C ATOM 1076 C VAL A 82 8.954 3.841 4.179 1.00 0.00 C ATOM 1077 O VAL A 82 8.169 4.676 3.730 1.00 0.00 O ATOM 1078 CB VAL A 82 9.015 3.137 6.536 1.00 0.00 C ATOM 1079 CG1 VAL A 82 8.917 4.632 6.884 1.00 0.00 C ATOM 1080 CG2 VAL A 82 8.192 2.338 7.560 1.00 0.00 C ATOM 0 H VAL A 82 9.384 0.977 5.380 1.00 0.00 H new ATOM 0 HA VAL A 82 7.406 2.864 5.241 1.00 0.00 H new ATOM 0 HB VAL A 82 10.070 2.866 6.560 1.00 0.00 H new ATOM 0 HG11 VAL A 82 9.309 4.799 7.887 1.00 0.00 H new ATOM 0 HG12 VAL A 82 9.498 5.211 6.166 1.00 0.00 H new ATOM 0 HG13 VAL A 82 7.874 4.947 6.845 1.00 0.00 H new ATOM 0 HG21 VAL A 82 8.556 2.551 8.565 1.00 0.00 H new ATOM 0 HG22 VAL A 82 7.143 2.623 7.486 1.00 0.00 H new ATOM 0 HG23 VAL A 82 8.293 1.272 7.356 1.00 0.00 H new ATOM 1090 N GLU A 83 10.215 3.790 3.716 1.00 0.00 N ATOM 1091 CA GLU A 83 10.720 4.703 2.739 1.00 0.00 C ATOM 1092 C GLU A 83 10.081 4.602 1.396 1.00 0.00 C ATOM 1093 O GLU A 83 10.011 5.590 0.666 1.00 0.00 O ATOM 1094 CB GLU A 83 12.254 4.641 2.654 1.00 0.00 C ATOM 1095 CG GLU A 83 12.894 4.791 4.035 1.00 0.00 C ATOM 1096 CD GLU A 83 14.306 5.360 4.014 1.00 0.00 C ATOM 1097 OE1 GLU A 83 15.254 4.680 3.538 1.00 0.00 O ATOM 1098 OE2 GLU A 83 14.474 6.510 4.499 1.00 0.00 O ATOM 0 H GLU A 83 10.898 3.100 4.027 1.00 0.00 H new ATOM 0 HA GLU A 83 10.435 5.691 3.100 1.00 0.00 H new ATOM 0 HB2 GLU A 83 12.558 3.692 2.211 1.00 0.00 H new ATOM 0 HB3 GLU A 83 12.616 5.431 1.995 1.00 0.00 H new ATOM 0 HG2 GLU A 83 12.264 5.437 4.646 1.00 0.00 H new ATOM 0 HG3 GLU A 83 12.915 3.815 4.520 1.00 0.00 H new ATOM 1105 N THR A 84 9.534 3.433 1.017 1.00 0.00 N ATOM 1106 CA THR A 84 8.821 3.190 -0.198 1.00 0.00 C ATOM 1107 C THR A 84 7.438 3.744 -0.187 1.00 0.00 C ATOM 1108 O THR A 84 6.888 4.090 -1.231 1.00 0.00 O ATOM 1109 CB THR A 84 8.824 1.729 -0.538 1.00 0.00 C ATOM 1110 OG1 THR A 84 10.164 1.284 -0.685 1.00 0.00 O ATOM 1111 CG2 THR A 84 8.140 1.343 -1.861 1.00 0.00 C ATOM 0 H THR A 84 9.595 2.600 1.602 1.00 0.00 H new ATOM 0 HA THR A 84 9.353 3.728 -0.983 1.00 0.00 H new ATOM 0 HB THR A 84 8.270 1.273 0.283 1.00 0.00 H new ATOM 0 HG1 THR A 84 10.503 0.976 0.181 1.00 0.00 H new ATOM 0 HG21 THR A 84 8.203 0.264 -2.002 1.00 0.00 H new ATOM 0 HG22 THR A 84 7.093 1.644 -1.831 1.00 0.00 H new ATOM 0 HG23 THR A 84 8.639 1.847 -2.689 1.00 0.00 H new ATOM 1119 N LEU A 85 6.797 3.867 0.989 1.00 0.00 N ATOM 1120 CA LEU A 85 5.526 4.497 1.174 1.00 0.00 C ATOM 1121 C LEU A 85 5.610 5.957 1.458 1.00 0.00 C ATOM 1122 O LEU A 85 4.873 6.765 0.895 1.00 0.00 O ATOM 1123 CB LEU A 85 4.811 3.840 2.365 1.00 0.00 C ATOM 1124 CG LEU A 85 4.411 2.372 2.138 1.00 0.00 C ATOM 1125 CD1 LEU A 85 4.218 1.662 3.488 1.00 0.00 C ATOM 1126 CD2 LEU A 85 3.109 2.263 1.327 1.00 0.00 C ATOM 0 H LEU A 85 7.188 3.506 1.859 1.00 0.00 H new ATOM 0 HA LEU A 85 4.987 4.371 0.235 1.00 0.00 H new ATOM 0 HB2 LEU A 85 5.461 3.895 3.238 1.00 0.00 H new ATOM 0 HB3 LEU A 85 3.915 4.416 2.597 1.00 0.00 H new ATOM 0 HG LEU A 85 5.215 1.896 1.576 1.00 0.00 H new ATOM 0 HD11 LEU A 85 3.935 0.624 3.316 1.00 0.00 H new ATOM 0 HD12 LEU A 85 5.149 1.695 4.053 1.00 0.00 H new ATOM 0 HD13 LEU A 85 3.432 2.163 4.054 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.856 1.212 1.185 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.302 2.761 1.865 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.245 2.738 0.355 1.00 0.00 H new ATOM 1138 N ARG A 86 6.489 6.351 2.397 1.00 0.00 N ATOM 1139 CA ARG A 86 6.584 7.666 2.952 1.00 0.00 C ATOM 1140 C ARG A 86 7.402 8.610 2.141 1.00 0.00 C ATOM 1141 O ARG A 86 7.075 9.794 2.077 1.00 0.00 O ATOM 1142 CB ARG A 86 7.100 7.534 4.395 1.00 0.00 C ATOM 1143 CG ARG A 86 7.453 8.830 5.124 1.00 0.00 C ATOM 1144 CD ARG A 86 8.937 9.151 4.936 1.00 0.00 C ATOM 1145 NE ARG A 86 9.219 10.468 5.573 1.00 0.00 N ATOM 1146 CZ ARG A 86 9.189 11.658 4.903 1.00 0.00 C ATOM 1147 NH1 ARG A 86 8.671 11.789 3.647 1.00 0.00 N ATOM 1148 NH2 ARG A 86 9.700 12.784 5.479 1.00 0.00 N ATOM 0 H ARG A 86 7.177 5.710 2.793 1.00 0.00 H new ATOM 0 HA ARG A 86 5.591 8.116 2.945 1.00 0.00 H new ATOM 0 HB2 ARG A 86 6.343 7.011 4.980 1.00 0.00 H new ATOM 0 HB3 ARG A 86 7.986 6.900 4.382 1.00 0.00 H new ATOM 0 HG2 ARG A 86 6.844 9.649 4.741 1.00 0.00 H new ATOM 0 HG3 ARG A 86 7.225 8.733 6.186 1.00 0.00 H new ATOM 0 HD2 ARG A 86 9.553 8.373 5.386 1.00 0.00 H new ATOM 0 HD3 ARG A 86 9.187 9.182 3.875 1.00 0.00 H new ATOM 0 HE ARG A 86 9.448 10.482 6.567 1.00 0.00 H new ATOM 0 HH11 ARG A 86 8.284 10.976 3.168 1.00 0.00 H new ATOM 0 HH12 ARG A 86 8.671 12.700 3.188 1.00 0.00 H new ATOM 0 HH21 ARG A 86 10.107 12.739 6.413 1.00 0.00 H new ATOM 0 HH22 ARG A 86 9.676 13.671 4.975 1.00 0.00 H new ATOM 1162 N ASN A 87 8.508 8.183 1.506 1.00 0.00 N ATOM 1163 CA ASN A 87 9.415 9.066 0.838 1.00 0.00 C ATOM 1164 C ASN A 87 9.037 9.249 -0.592 1.00 0.00 C ATOM 1165 O ASN A 87 9.859 9.337 -1.502 1.00 0.00 O ATOM 1166 CB ASN A 87 10.863 8.581 1.022 1.00 0.00 C ATOM 1167 CG ASN A 87 11.825 9.751 1.164 1.00 0.00 C ATOM 1168 OD1 ASN A 87 11.980 10.595 0.282 1.00 0.00 O ATOM 1169 ND2 ASN A 87 12.506 9.833 2.338 1.00 0.00 N ATOM 0 H ASN A 87 8.779 7.201 1.455 1.00 0.00 H new ATOM 0 HA ASN A 87 9.349 10.054 1.293 1.00 0.00 H new ATOM 0 HB2 ASN A 87 10.926 7.946 1.906 1.00 0.00 H new ATOM 0 HB3 ASN A 87 11.155 7.969 0.168 1.00 0.00 H new ATOM 0 HD21 ASN A 87 13.157 10.602 2.498 1.00 0.00 H new ATOM 0 HD22 ASN A 87 12.366 9.125 3.059 1.00 0.00 H new ATOM 1176 N THR A 88 7.712 9.304 -0.820 1.00 0.00 N ATOM 1177 CA THR A 88 6.994 9.455 -2.046 1.00 0.00 C ATOM 1178 C THR A 88 6.538 10.860 -2.244 1.00 0.00 C ATOM 1179 O THR A 88 6.739 11.730 -1.398 1.00 0.00 O ATOM 1180 CB THR A 88 5.789 8.565 -1.974 1.00 0.00 C ATOM 1181 OG1 THR A 88 5.045 8.815 -0.790 1.00 0.00 O ATOM 1182 CG2 THR A 88 6.278 7.110 -1.884 1.00 0.00 C ATOM 0 H THR A 88 7.064 9.232 -0.036 1.00 0.00 H new ATOM 0 HA THR A 88 7.647 9.193 -2.878 1.00 0.00 H new ATOM 0 HB THR A 88 5.168 8.749 -2.851 1.00 0.00 H new ATOM 0 HG1 THR A 88 5.204 8.094 -0.145 1.00 0.00 H new ATOM 0 HG21 THR A 88 5.420 6.440 -1.830 1.00 0.00 H new ATOM 0 HG22 THR A 88 6.871 6.870 -2.767 1.00 0.00 H new ATOM 0 HG23 THR A 88 6.891 6.987 -0.991 1.00 0.00 H new ATOM 1190 N GLY A 89 5.858 11.143 -3.369 1.00 0.00 N ATOM 1191 CA GLY A 89 5.253 12.412 -3.627 1.00 0.00 C ATOM 1192 C GLY A 89 3.883 12.527 -3.055 1.00 0.00 C ATOM 1193 O GLY A 89 3.631 12.136 -1.915 1.00 0.00 O ATOM 0 H GLY A 89 5.725 10.468 -4.122 1.00 0.00 H new ATOM 0 HA2 GLY A 89 5.882 13.200 -3.212 1.00 0.00 H new ATOM 0 HA3 GLY A 89 5.207 12.575 -4.704 1.00 0.00 H new ATOM 1197 N GLN A 90 2.928 13.090 -3.817 1.00 0.00 N ATOM 1198 CA GLN A 90 1.590 13.302 -3.360 1.00 0.00 C ATOM 1199 C GLN A 90 0.741 12.092 -3.548 1.00 0.00 C ATOM 1200 O GLN A 90 0.266 11.525 -2.566 1.00 0.00 O ATOM 1201 CB GLN A 90 0.966 14.545 -4.017 1.00 0.00 C ATOM 1202 CG GLN A 90 -0.506 14.761 -3.660 1.00 0.00 C ATOM 1203 CD GLN A 90 -0.949 16.207 -3.837 1.00 0.00 C ATOM 1204 OE1 GLN A 90 -1.315 16.659 -4.921 1.00 0.00 O ATOM 1205 NE2 GLN A 90 -0.933 16.967 -2.709 1.00 0.00 N ATOM 0 H GLN A 90 3.090 13.405 -4.773 1.00 0.00 H new ATOM 0 HA GLN A 90 1.639 13.489 -2.287 1.00 0.00 H new ATOM 0 HB2 GLN A 90 1.535 15.426 -3.719 1.00 0.00 H new ATOM 0 HB3 GLN A 90 1.058 14.457 -5.100 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -1.125 14.117 -4.284 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -0.673 14.458 -2.626 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -0.624 16.562 -1.825 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -1.230 17.942 -2.747 1.00 0.00 H new ATOM 1214 N VAL A 91 0.521 11.632 -4.793 1.00 0.00 N ATOM 1215 CA VAL A 91 -0.243 10.444 -5.016 1.00 0.00 C ATOM 1216 C VAL A 91 0.537 9.216 -4.693 1.00 0.00 C ATOM 1217 O VAL A 91 1.615 8.950 -5.224 1.00 0.00 O ATOM 1218 CB VAL A 91 -0.869 10.302 -6.372 1.00 0.00 C ATOM 1219 CG1 VAL A 91 -1.508 8.918 -6.580 1.00 0.00 C ATOM 1220 CG2 VAL A 91 -1.944 11.397 -6.477 1.00 0.00 C ATOM 0 H VAL A 91 0.870 12.080 -5.641 1.00 0.00 H new ATOM 0 HA VAL A 91 -1.077 10.559 -4.324 1.00 0.00 H new ATOM 0 HB VAL A 91 -0.104 10.404 -7.141 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -1.947 8.866 -7.576 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -0.745 8.146 -6.479 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -2.285 8.760 -5.832 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -2.431 11.336 -7.450 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -2.685 11.256 -5.690 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -1.478 12.376 -6.365 1.00 0.00 H new ATOM 1230 N VAL A 92 -0.045 8.402 -3.795 1.00 0.00 N ATOM 1231 CA VAL A 92 0.387 7.064 -3.532 1.00 0.00 C ATOM 1232 C VAL A 92 -0.720 6.161 -3.958 1.00 0.00 C ATOM 1233 O VAL A 92 -1.818 6.171 -3.403 1.00 0.00 O ATOM 1234 CB VAL A 92 0.756 6.905 -2.087 1.00 0.00 C ATOM 1235 CG1 VAL A 92 0.774 5.424 -1.670 1.00 0.00 C ATOM 1236 CG2 VAL A 92 2.143 7.540 -1.893 1.00 0.00 C ATOM 0 H VAL A 92 -0.846 8.686 -3.231 1.00 0.00 H new ATOM 0 HA VAL A 92 1.289 6.811 -4.090 1.00 0.00 H new ATOM 0 HB VAL A 92 0.014 7.398 -1.458 1.00 0.00 H new ATOM 0 HG11 VAL A 92 1.045 5.346 -0.617 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -0.214 4.991 -1.823 1.00 0.00 H new ATOM 0 HG13 VAL A 92 1.504 4.885 -2.274 1.00 0.00 H new ATOM 0 HG21 VAL A 92 2.445 7.443 -0.850 1.00 0.00 H new ATOM 0 HG22 VAL A 92 2.868 7.032 -2.530 1.00 0.00 H new ATOM 0 HG23 VAL A 92 2.101 8.596 -2.162 1.00 0.00 H new ATOM 1246 N HIS A 93 -0.468 5.334 -4.988 1.00 0.00 N ATOM 1247 CA HIS A 93 -1.322 4.251 -5.364 1.00 0.00 C ATOM 1248 C HIS A 93 -0.929 3.051 -4.571 1.00 0.00 C ATOM 1249 O HIS A 93 0.153 2.505 -4.781 1.00 0.00 O ATOM 1250 CB HIS A 93 -1.243 3.869 -6.852 1.00 0.00 C ATOM 1251 CG HIS A 93 -1.270 5.020 -7.812 1.00 0.00 C ATOM 1252 ND1 HIS A 93 -0.102 5.722 -8.035 1.00 0.00 N ATOM 1253 CD2 HIS A 93 -2.269 5.499 -8.601 1.00 0.00 C ATOM 1254 CE1 HIS A 93 -0.411 6.631 -8.941 1.00 0.00 C ATOM 1255 NE2 HIS A 93 -1.716 6.543 -9.315 1.00 0.00 N ATOM 0 H HIS A 93 0.358 5.422 -5.579 1.00 0.00 H new ATOM 0 HA HIS A 93 -2.343 4.582 -5.171 1.00 0.00 H new ATOM 0 HB2 HIS A 93 -0.327 3.302 -7.016 1.00 0.00 H new ATOM 0 HB3 HIS A 93 -2.075 3.204 -7.084 1.00 0.00 H new ATOM 0 HD2 HIS A 93 -3.285 5.137 -8.657 1.00 0.00 H new ATOM 0 HE1 HIS A 93 0.286 7.355 -9.336 1.00 0.00 H new ATOM 0 HE2 HIS A 93 -2.195 7.135 -9.994 1.00 0.00 H new ATOM 1263 N LEU A 94 -1.758 2.584 -3.621 1.00 0.00 N ATOM 1264 CA LEU A 94 -1.507 1.379 -2.893 1.00 0.00 C ATOM 1265 C LEU A 94 -2.053 0.207 -3.632 1.00 0.00 C ATOM 1266 O LEU A 94 -3.266 0.029 -3.731 1.00 0.00 O ATOM 1267 CB LEU A 94 -2.093 1.332 -1.471 1.00 0.00 C ATOM 1268 CG LEU A 94 -1.412 2.306 -0.494 1.00 0.00 C ATOM 1269 CD1 LEU A 94 -2.372 2.698 0.642 1.00 0.00 C ATOM 1270 CD2 LEU A 94 -0.076 1.730 0.004 1.00 0.00 C ATOM 0 H LEU A 94 -2.622 3.054 -3.352 1.00 0.00 H new ATOM 0 HA LEU A 94 -0.422 1.349 -2.798 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -3.158 1.562 -1.518 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -2.002 0.318 -1.083 1.00 0.00 H new ATOM 0 HG LEU A 94 -1.169 3.230 -1.019 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -1.870 3.387 1.321 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -3.255 3.181 0.222 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -2.673 1.804 1.189 1.00 0.00 H new ATOM 0 HD21 LEU A 94 0.389 2.434 0.694 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -0.256 0.785 0.517 1.00 0.00 H new ATOM 0 HD23 LEU A 94 0.587 1.562 -0.845 1.00 0.00 H new ATOM 1282 N LEU A 95 -1.175 -0.664 -4.160 1.00 0.00 N ATOM 1283 CA LEU A 95 -1.574 -1.898 -4.762 1.00 0.00 C ATOM 1284 C LEU A 95 -1.673 -2.917 -3.680 1.00 0.00 C ATOM 1285 O LEU A 95 -0.668 -3.463 -3.225 1.00 0.00 O ATOM 1286 CB LEU A 95 -0.586 -2.343 -5.854 1.00 0.00 C ATOM 1287 CG LEU A 95 -1.258 -2.993 -7.075 1.00 0.00 C ATOM 1288 CD1 LEU A 95 -0.197 -3.709 -7.927 1.00 0.00 C ATOM 1289 CD2 LEU A 95 -2.405 -3.955 -6.723 1.00 0.00 C ATOM 0 H LEU A 95 -0.167 -0.508 -4.169 1.00 0.00 H new ATOM 0 HA LEU A 95 -2.538 -1.774 -5.255 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -0.012 -1.478 -6.185 1.00 0.00 H new ATOM 0 HB3 LEU A 95 0.123 -3.050 -5.423 1.00 0.00 H new ATOM 0 HG LEU A 95 -1.719 -2.184 -7.642 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -0.675 -4.169 -8.792 1.00 0.00 H new ATOM 0 HD12 LEU A 95 0.546 -2.987 -8.265 1.00 0.00 H new ATOM 0 HD13 LEU A 95 0.290 -4.479 -7.329 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -2.825 -4.371 -7.639 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -2.023 -4.763 -6.099 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -3.180 -3.414 -6.181 1.00 0.00 H new ATOM 1301 N LEU A 96 -2.919 -3.130 -3.223 1.00 0.00 N ATOM 1302 CA LEU A 96 -3.324 -3.942 -2.117 1.00 0.00 C ATOM 1303 C LEU A 96 -3.937 -5.213 -2.592 1.00 0.00 C ATOM 1304 O LEU A 96 -4.730 -5.251 -3.531 1.00 0.00 O ATOM 1305 CB LEU A 96 -4.365 -3.196 -1.267 1.00 0.00 C ATOM 1306 CG LEU A 96 -3.764 -2.134 -0.330 1.00 0.00 C ATOM 1307 CD1 LEU A 96 -4.752 -0.983 -0.074 1.00 0.00 C ATOM 1308 CD2 LEU A 96 -3.326 -2.784 0.993 1.00 0.00 C ATOM 0 H LEU A 96 -3.721 -2.689 -3.674 1.00 0.00 H new ATOM 0 HA LEU A 96 -2.437 -4.161 -1.523 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -5.083 -2.715 -1.931 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -4.918 -3.921 -0.670 1.00 0.00 H new ATOM 0 HG LEU A 96 -2.888 -1.707 -0.819 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -4.294 -0.252 0.592 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -5.006 -0.504 -1.020 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -5.658 -1.377 0.388 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -2.902 -2.024 1.649 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -4.189 -3.241 1.477 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -2.576 -3.549 0.792 1.00 0.00 H new ATOM 1320 N GLU A 97 -3.576 -6.319 -1.916 1.00 0.00 N ATOM 1321 CA GLU A 97 -4.158 -7.619 -2.049 1.00 0.00 C ATOM 1322 C GLU A 97 -4.765 -8.002 -0.744 1.00 0.00 C ATOM 1323 O GLU A 97 -4.291 -7.641 0.331 1.00 0.00 O ATOM 1324 CB GLU A 97 -3.055 -8.624 -2.421 1.00 0.00 C ATOM 1325 CG GLU A 97 -3.446 -10.101 -2.475 1.00 0.00 C ATOM 1326 CD GLU A 97 -2.290 -10.963 -2.960 1.00 0.00 C ATOM 1327 OE1 GLU A 97 -1.188 -10.921 -2.349 1.00 0.00 O ATOM 1328 OE2 GLU A 97 -2.494 -11.738 -3.932 1.00 0.00 O ATOM 0 H GLU A 97 -2.824 -6.302 -1.228 1.00 0.00 H new ATOM 0 HA GLU A 97 -4.923 -7.617 -2.825 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -2.657 -8.344 -3.396 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -2.243 -8.515 -1.702 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -3.759 -10.433 -1.485 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -4.301 -10.229 -3.139 1.00 0.00 H new ATOM 1335 N LYS A 98 -5.859 -8.782 -0.799 1.00 0.00 N ATOM 1336 CA LYS A 98 -6.553 -9.309 0.336 1.00 0.00 C ATOM 1337 C LYS A 98 -5.742 -10.153 1.257 1.00 0.00 C ATOM 1338 O LYS A 98 -5.008 -11.055 0.859 1.00 0.00 O ATOM 1339 CB LYS A 98 -7.855 -10.009 -0.090 1.00 0.00 C ATOM 1340 CG LYS A 98 -7.849 -10.802 -1.398 1.00 0.00 C ATOM 1341 CD LYS A 98 -6.767 -11.873 -1.557 1.00 0.00 C ATOM 1342 CE LYS A 98 -6.934 -13.114 -0.678 1.00 0.00 C ATOM 1343 NZ LYS A 98 -5.807 -14.051 -0.890 1.00 0.00 N ATOM 0 H LYS A 98 -6.283 -9.060 -1.684 1.00 0.00 H new ATOM 0 HA LYS A 98 -6.798 -8.435 0.940 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -8.146 -10.688 0.711 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -8.634 -9.250 -0.163 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -8.821 -11.284 -1.506 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -7.750 -10.095 -2.222 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -6.743 -12.189 -2.600 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -5.799 -11.422 -1.338 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -6.980 -12.821 0.371 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -7.876 -13.609 -0.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -5.934 -14.889 -0.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -5.782 -14.343 -1.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -4.913 -13.580 -0.645 1.00 0.00 H new ATOM 1434 N LEU B 206 8.912 -1.644 14.334 1.00 0.00 N ATOM 1435 CA LEU B 206 7.687 -2.053 13.719 1.00 0.00 C ATOM 1436 C LEU B 206 6.598 -1.041 13.806 1.00 0.00 C ATOM 1437 O LEU B 206 6.695 -0.049 14.529 1.00 0.00 O ATOM 1438 CB LEU B 206 7.198 -3.442 14.161 1.00 0.00 C ATOM 1439 CG LEU B 206 6.377 -4.260 13.150 1.00 0.00 C ATOM 1440 CD1 LEU B 206 7.274 -4.744 11.998 1.00 0.00 C ATOM 1441 CD2 LEU B 206 5.808 -5.478 13.897 1.00 0.00 C ATOM 0 HA LEU B 206 7.949 -2.137 12.664 1.00 0.00 H new ATOM 0 HB2 LEU B 206 8.070 -4.032 14.442 1.00 0.00 H new ATOM 0 HB3 LEU B 206 6.595 -3.316 15.060 1.00 0.00 H new ATOM 0 HG LEU B 206 5.580 -3.647 12.729 1.00 0.00 H new ATOM 0 HD11 LEU B 206 6.678 -5.321 11.291 1.00 0.00 H new ATOM 0 HD12 LEU B 206 7.708 -3.884 11.489 1.00 0.00 H new ATOM 0 HD13 LEU B 206 8.072 -5.371 12.397 1.00 0.00 H new ATOM 0 HD21 LEU B 206 5.218 -6.084 13.209 1.00 0.00 H new ATOM 0 HD22 LEU B 206 6.628 -6.076 14.295 1.00 0.00 H new ATOM 0 HD23 LEU B 206 5.175 -5.139 14.717 1.00 0.00 H new ATOM 1453 N VAL B 207 5.501 -1.246 13.054 1.00 0.00 N ATOM 1454 CA VAL B 207 4.264 -0.531 13.087 1.00 0.00 C ATOM 1455 C VAL B 207 4.335 0.956 13.118 1.00 0.00 C ATOM 1456 O VAL B 207 4.114 1.636 14.118 1.00 0.00 O ATOM 1457 CB VAL B 207 3.194 -1.128 13.954 1.00 0.00 C ATOM 1458 CG1 VAL B 207 2.637 -2.361 13.222 1.00 0.00 C ATOM 1459 CG2 VAL B 207 3.704 -1.480 15.361 1.00 0.00 C ATOM 0 H VAL B 207 5.482 -1.988 12.354 1.00 0.00 H new ATOM 0 HA VAL B 207 3.910 -0.709 12.071 1.00 0.00 H new ATOM 0 HB VAL B 207 2.403 -0.395 14.114 1.00 0.00 H new ATOM 0 HG11 VAL B 207 1.855 -2.820 13.826 1.00 0.00 H new ATOM 0 HG12 VAL B 207 2.222 -2.057 12.261 1.00 0.00 H new ATOM 0 HG13 VAL B 207 3.439 -3.081 13.059 1.00 0.00 H new ATOM 0 HG21 VAL B 207 2.890 -1.908 15.946 1.00 0.00 H new ATOM 0 HG22 VAL B 207 4.515 -2.204 15.283 1.00 0.00 H new ATOM 0 HG23 VAL B 207 4.069 -0.578 15.852 1.00 0.00 H new ATOM 1469 N THR B 208 4.632 1.500 11.923 1.00 0.00 N ATOM 1470 CA THR B 208 4.986 2.865 11.692 1.00 0.00 C ATOM 1471 C THR B 208 3.899 3.360 10.801 1.00 0.00 C ATOM 1472 O THR B 208 3.722 2.799 9.720 1.00 0.00 O ATOM 1473 CB THR B 208 6.299 3.006 10.979 1.00 0.00 C ATOM 1474 OG1 THR B 208 7.352 2.464 11.762 1.00 0.00 O ATOM 1475 CG2 THR B 208 6.657 4.476 10.705 1.00 0.00 C ATOM 0 H THR B 208 4.624 0.949 11.064 1.00 0.00 H new ATOM 0 HA THR B 208 5.091 3.410 12.630 1.00 0.00 H new ATOM 0 HB THR B 208 6.188 2.472 10.035 1.00 0.00 H new ATOM 0 HG1 THR B 208 8.184 2.945 11.569 1.00 0.00 H new ATOM 0 HG21 THR B 208 7.615 4.527 10.188 1.00 0.00 H new ATOM 0 HG22 THR B 208 5.885 4.929 10.083 1.00 0.00 H new ATOM 0 HG23 THR B 208 6.726 5.016 11.649 1.00 0.00 H new ATOM 1483 N SER B 209 3.127 4.358 11.266 1.00 0.00 N ATOM 1484 CA SER B 209 2.063 4.980 10.539 1.00 0.00 C ATOM 1485 C SER B 209 2.585 5.966 9.553 1.00 0.00 C ATOM 1486 O SER B 209 3.219 6.949 9.934 1.00 0.00 O ATOM 1487 CB SER B 209 1.021 5.677 11.430 1.00 0.00 C ATOM 1488 OG SER B 209 1.589 6.670 12.270 1.00 0.00 O ATOM 0 H SER B 209 3.252 4.752 12.199 1.00 0.00 H new ATOM 0 HA SER B 209 1.561 4.159 10.027 1.00 0.00 H new ATOM 0 HB2 SER B 209 0.259 6.134 10.799 1.00 0.00 H new ATOM 0 HB3 SER B 209 0.519 4.931 12.046 1.00 0.00 H new ATOM 0 HG SER B 209 2.376 7.057 11.833 1.00 0.00 H new ATOM 1494 N VAL B 210 2.334 5.735 8.252 1.00 0.00 N ATOM 1495 CA VAL B 210 2.886 6.460 7.151 1.00 0.00 C ATOM 1496 C VAL B 210 1.833 6.334 6.058 1.00 0.00 C ATOM 1497 O VAL B 210 0.759 5.717 6.285 1.00 0.00 O ATOM 1498 CB VAL B 210 4.204 5.972 6.628 1.00 0.00 C ATOM 1499 CG1 VAL B 210 5.320 6.549 7.515 1.00 0.00 C ATOM 1500 CG2 VAL B 210 4.251 4.438 6.533 1.00 0.00 C ATOM 1501 OXT VAL B 210 2.054 6.955 4.984 1.00 0.00 O ATOM 0 H VAL B 210 1.703 4.992 7.951 1.00 0.00 H new ATOM 0 HA VAL B 210 3.107 7.476 7.479 1.00 0.00 H new ATOM 0 HB VAL B 210 4.349 6.323 5.606 1.00 0.00 H new ATOM 0 HG11 VAL B 210 6.288 6.206 7.151 1.00 0.00 H new ATOM 0 HG12 VAL B 210 5.285 7.638 7.481 1.00 0.00 H new ATOM 0 HG13 VAL B 210 5.179 6.213 8.542 1.00 0.00 H new ATOM 0 HG21 VAL B 210 5.223 4.127 6.150 1.00 0.00 H new ATOM 0 HG22 VAL B 210 4.096 4.007 7.522 1.00 0.00 H new ATOM 0 HG23 VAL B 210 3.467 4.091 5.859 1.00 0.00 H new