USER MOD reduce.3.24.130724 H: found=0, std=0, add=477, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 479 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 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.186 USER MOD Single : A 30 GLN : amide:sc= -0.0499 X(o=-0.05,f=-0.18) USER MOD Single : A 35 LYS NZ :NH3+ -148:sc= -0.863 (180deg=-2.43!) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= -0.562 K(o=-0.56,f=-1.7!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot -73:sc= 0.469 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot 180:sc= -0.205 USER MOD Single : A 73 THR OG1 : rot 36:sc= 0.522 USER MOD Single : A 74 SER OG : rot 63:sc= 0.714 USER MOD Single : A 81 ASN : amide:sc= 0 K(o=0,f=-1.8) USER MOD Single : A 89 TYR OH : rot -24:sc= -0.361 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 19 N ALA A 22 1.544 -2.369 -3.480 1.00 0.00 N ATOM 20 CA ALA A 22 1.103 -3.300 -4.535 1.00 0.00 C ATOM 21 C ALA A 22 2.048 -3.116 -5.729 1.00 0.00 C ATOM 22 O ALA A 22 2.087 -2.023 -6.317 1.00 0.00 O ATOM 23 CB ALA A 22 -0.358 -3.046 -4.964 1.00 0.00 C ATOM 0 HA ALA A 22 1.138 -4.321 -4.155 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -0.637 -3.756 -5.743 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -1.017 -3.172 -4.105 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -0.453 -2.030 -5.348 1.00 0.00 H new ATOM 29 N ALA A 23 2.844 -4.153 -6.049 1.00 0.00 N ATOM 30 CA ALA A 23 3.812 -4.105 -7.158 1.00 0.00 C ATOM 31 C ALA A 23 3.097 -3.849 -8.494 1.00 0.00 C ATOM 32 O ALA A 23 2.010 -4.392 -8.739 1.00 0.00 O ATOM 33 CB ALA A 23 4.638 -5.393 -7.223 1.00 0.00 C ATOM 0 H ALA A 23 2.834 -5.042 -5.549 1.00 0.00 H new ATOM 0 HA ALA A 23 4.495 -3.276 -6.972 1.00 0.00 H new ATOM 0 HB1 ALA A 23 5.345 -5.331 -8.051 1.00 0.00 H new ATOM 0 HB2 ALA A 23 5.184 -5.523 -6.289 1.00 0.00 H new ATOM 0 HB3 ALA A 23 3.974 -6.244 -7.376 1.00 0.00 H new ATOM 39 N THR A 24 3.715 -2.996 -9.318 1.00 0.00 N ATOM 40 CA THR A 24 3.168 -2.550 -10.601 1.00 0.00 C ATOM 41 C THR A 24 2.975 -3.732 -11.572 1.00 0.00 C ATOM 42 O THR A 24 3.916 -4.497 -11.824 1.00 0.00 O ATOM 43 CB THR A 24 4.118 -1.475 -11.239 1.00 0.00 C ATOM 44 OG1 THR A 24 4.361 -0.421 -10.294 1.00 0.00 O ATOM 45 CG2 THR A 24 3.549 -0.864 -12.538 1.00 0.00 C ATOM 0 H THR A 24 4.626 -2.590 -9.107 1.00 0.00 H new ATOM 0 HA THR A 24 2.189 -2.107 -10.418 1.00 0.00 H new ATOM 0 HB THR A 24 5.045 -1.988 -11.496 1.00 0.00 H new ATOM 0 HG1 THR A 24 4.955 0.247 -10.695 1.00 0.00 H new ATOM 0 HG21 THR A 24 4.250 -0.128 -12.932 1.00 0.00 H new ATOM 0 HG22 THR A 24 3.398 -1.652 -13.275 1.00 0.00 H new ATOM 0 HG23 THR A 24 2.596 -0.379 -12.325 1.00 0.00 H new ATOM 53 N GLU A 25 1.736 -3.895 -12.070 1.00 0.00 N ATOM 54 CA GLU A 25 1.427 -4.862 -13.124 1.00 0.00 C ATOM 55 C GLU A 25 2.142 -4.418 -14.402 1.00 0.00 C ATOM 56 O GLU A 25 1.875 -3.328 -14.931 1.00 0.00 O ATOM 57 CB GLU A 25 -0.102 -4.940 -13.343 1.00 0.00 C ATOM 58 CG GLU A 25 -0.554 -5.930 -14.431 1.00 0.00 C ATOM 59 CD GLU A 25 -2.082 -5.959 -14.609 1.00 0.00 C ATOM 60 OE1 GLU A 25 -2.628 -5.083 -15.313 1.00 0.00 O ATOM 61 OE2 GLU A 25 -2.742 -6.849 -14.043 1.00 0.00 O ATOM 0 H GLU A 25 0.928 -3.360 -11.751 1.00 0.00 H new ATOM 0 HA GLU A 25 1.770 -5.857 -12.841 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -0.575 -5.218 -12.401 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -0.468 -3.947 -13.602 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -0.087 -5.661 -15.378 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -0.203 -6.930 -14.175 1.00 0.00 H new ATOM 68 N LEU A 26 3.067 -5.255 -14.862 1.00 0.00 N ATOM 69 CA LEU A 26 3.930 -4.951 -16.003 1.00 0.00 C ATOM 70 C LEU A 26 3.444 -5.769 -17.205 1.00 0.00 C ATOM 71 O LEU A 26 3.354 -7.002 -17.127 1.00 0.00 O ATOM 72 CB LEU A 26 5.414 -5.272 -15.651 1.00 0.00 C ATOM 73 CG LEU A 26 6.492 -4.619 -16.568 1.00 0.00 C ATOM 74 CD1 LEU A 26 6.468 -3.079 -16.438 1.00 0.00 C ATOM 75 CD2 LEU A 26 7.897 -5.188 -16.269 1.00 0.00 C ATOM 0 H LEU A 26 3.242 -6.172 -14.451 1.00 0.00 H new ATOM 0 HA LEU A 26 3.880 -3.891 -16.251 1.00 0.00 H new ATOM 0 HB2 LEU A 26 5.599 -4.956 -14.624 1.00 0.00 H new ATOM 0 HB3 LEU A 26 5.548 -6.353 -15.681 1.00 0.00 H new ATOM 0 HG LEU A 26 6.251 -4.869 -17.601 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.229 -2.647 -17.088 1.00 0.00 H new ATOM 0 HD12 LEU A 26 5.487 -2.704 -16.730 1.00 0.00 H new ATOM 0 HD13 LEU A 26 6.671 -2.798 -15.405 1.00 0.00 H new ATOM 0 HD21 LEU A 26 8.628 -4.714 -16.924 1.00 0.00 H new ATOM 0 HD22 LEU A 26 8.157 -4.988 -15.230 1.00 0.00 H new ATOM 0 HD23 LEU A 26 7.898 -6.264 -16.443 1.00 0.00 H new ATOM 87 N THR A 27 3.094 -5.070 -18.292 1.00 0.00 N ATOM 88 CA THR A 27 2.572 -5.686 -19.523 1.00 0.00 C ATOM 89 C THR A 27 3.654 -6.562 -20.200 1.00 0.00 C ATOM 90 O THR A 27 4.839 -6.272 -20.035 1.00 0.00 O ATOM 91 CB THR A 27 2.079 -4.581 -20.514 1.00 0.00 C ATOM 92 OG1 THR A 27 3.179 -3.729 -20.866 1.00 0.00 O ATOM 93 CG2 THR A 27 0.934 -3.730 -19.920 1.00 0.00 C ATOM 0 H THR A 27 3.165 -4.054 -18.345 1.00 0.00 H new ATOM 0 HA THR A 27 1.730 -6.324 -19.255 1.00 0.00 H new ATOM 0 HB THR A 27 1.689 -5.083 -21.399 1.00 0.00 H new ATOM 0 HG1 THR A 27 2.871 -3.037 -21.488 1.00 0.00 H new ATOM 0 HG21 THR A 27 0.626 -2.977 -20.645 1.00 0.00 H new ATOM 0 HG22 THR A 27 0.087 -4.374 -19.684 1.00 0.00 H new ATOM 0 HG23 THR A 27 1.280 -3.238 -19.011 1.00 0.00 H new ATOM 101 N PRO A 28 3.268 -7.644 -20.971 1.00 0.00 N ATOM 102 CA PRO A 28 4.231 -8.524 -21.697 1.00 0.00 C ATOM 103 C PRO A 28 5.225 -7.738 -22.575 1.00 0.00 C ATOM 104 O PRO A 28 6.376 -8.151 -22.749 1.00 0.00 O ATOM 105 CB PRO A 28 3.313 -9.444 -22.568 1.00 0.00 C ATOM 106 CG PRO A 28 1.955 -8.810 -22.516 1.00 0.00 C ATOM 107 CD PRO A 28 1.879 -8.126 -21.175 1.00 0.00 C ATOM 0 HA PRO A 28 4.866 -9.077 -21.005 1.00 0.00 H new ATOM 0 HB2 PRO A 28 3.679 -9.508 -23.593 1.00 0.00 H new ATOM 0 HB3 PRO A 28 3.288 -10.460 -22.175 1.00 0.00 H new ATOM 0 HG2 PRO A 28 1.825 -8.095 -23.329 1.00 0.00 H new ATOM 0 HG3 PRO A 28 1.169 -9.558 -22.620 1.00 0.00 H new ATOM 0 HD2 PRO A 28 1.163 -7.304 -21.180 1.00 0.00 H new ATOM 0 HD3 PRO A 28 1.570 -8.813 -20.388 1.00 0.00 H new ATOM 115 N GLU A 29 4.754 -6.591 -23.099 1.00 0.00 N ATOM 116 CA GLU A 29 5.548 -5.685 -23.936 1.00 0.00 C ATOM 117 C GLU A 29 6.731 -5.091 -23.134 1.00 0.00 C ATOM 118 O GLU A 29 7.895 -5.188 -23.544 1.00 0.00 O ATOM 119 CB GLU A 29 4.631 -4.556 -24.485 1.00 0.00 C ATOM 120 CG GLU A 29 5.308 -3.602 -25.486 1.00 0.00 C ATOM 121 CD GLU A 29 5.803 -4.319 -26.755 1.00 0.00 C ATOM 122 OE1 GLU A 29 4.984 -4.565 -27.667 1.00 0.00 O ATOM 123 OE2 GLU A 29 7.001 -4.661 -26.842 1.00 0.00 O ATOM 0 H GLU A 29 3.799 -6.267 -22.948 1.00 0.00 H new ATOM 0 HA GLU A 29 5.965 -6.245 -24.773 1.00 0.00 H new ATOM 0 HB2 GLU A 29 3.767 -5.012 -24.967 1.00 0.00 H new ATOM 0 HB3 GLU A 29 4.256 -3.972 -23.645 1.00 0.00 H new ATOM 0 HG2 GLU A 29 4.603 -2.820 -25.768 1.00 0.00 H new ATOM 0 HG3 GLU A 29 6.151 -3.111 -25.000 1.00 0.00 H new ATOM 130 N GLN A 30 6.406 -4.496 -21.972 1.00 0.00 N ATOM 131 CA GLN A 30 7.392 -3.836 -21.085 1.00 0.00 C ATOM 132 C GLN A 30 8.227 -4.872 -20.300 1.00 0.00 C ATOM 133 O GLN A 30 9.364 -4.601 -19.893 1.00 0.00 O ATOM 134 CB GLN A 30 6.661 -2.878 -20.113 1.00 0.00 C ATOM 135 CG GLN A 30 5.846 -1.750 -20.781 1.00 0.00 C ATOM 136 CD GLN A 30 6.665 -0.912 -21.759 1.00 0.00 C ATOM 137 OE1 GLN A 30 6.687 -1.178 -22.961 1.00 0.00 O ATOM 138 NE2 GLN A 30 7.385 0.074 -21.245 1.00 0.00 N ATOM 0 H GLN A 30 5.450 -4.457 -21.617 1.00 0.00 H new ATOM 0 HA GLN A 30 8.081 -3.262 -21.705 1.00 0.00 H new ATOM 0 HB2 GLN A 30 5.990 -3.466 -19.487 1.00 0.00 H new ATOM 0 HB3 GLN A 30 7.400 -2.426 -19.451 1.00 0.00 H new ATOM 0 HG2 GLN A 30 4.998 -2.187 -21.309 1.00 0.00 H new ATOM 0 HG3 GLN A 30 5.438 -1.099 -20.008 1.00 0.00 H new ATOM 0 HE21 GLN A 30 7.344 0.268 -20.244 1.00 0.00 H new ATOM 0 HE22 GLN A 30 7.981 0.639 -21.850 1.00 0.00 H new ATOM 147 N ALA A 31 7.637 -6.062 -20.111 1.00 0.00 N ATOM 148 CA ALA A 31 8.265 -7.192 -19.410 1.00 0.00 C ATOM 149 C ALA A 31 9.363 -7.814 -20.279 1.00 0.00 C ATOM 150 O ALA A 31 10.410 -8.222 -19.778 1.00 0.00 O ATOM 151 CB ALA A 31 7.197 -8.230 -19.041 1.00 0.00 C ATOM 0 H ALA A 31 6.696 -6.269 -20.446 1.00 0.00 H new ATOM 0 HA ALA A 31 8.730 -6.833 -18.492 1.00 0.00 H new ATOM 0 HB1 ALA A 31 7.666 -9.066 -18.522 1.00 0.00 H new ATOM 0 HB2 ALA A 31 6.452 -7.771 -18.391 1.00 0.00 H new ATOM 0 HB3 ALA A 31 6.713 -8.592 -19.948 1.00 0.00 H new ATOM 157 N ALA A 32 9.101 -7.856 -21.596 1.00 0.00 N ATOM 158 CA ALA A 32 10.073 -8.310 -22.606 1.00 0.00 C ATOM 159 C ALA A 32 11.224 -7.298 -22.743 1.00 0.00 C ATOM 160 O ALA A 32 12.364 -7.665 -23.042 1.00 0.00 O ATOM 161 CB ALA A 32 9.370 -8.521 -23.956 1.00 0.00 C ATOM 0 H ALA A 32 8.204 -7.575 -21.992 1.00 0.00 H new ATOM 0 HA ALA A 32 10.497 -9.261 -22.282 1.00 0.00 H new ATOM 0 HB1 ALA A 32 10.097 -8.856 -24.696 1.00 0.00 H new ATOM 0 HB2 ALA A 32 8.590 -9.274 -23.846 1.00 0.00 H new ATOM 0 HB3 ALA A 32 8.924 -7.582 -24.285 1.00 0.00 H new ATOM 167 N ALA A 33 10.903 -6.014 -22.505 1.00 0.00 N ATOM 168 CA ALA A 33 11.878 -4.907 -22.556 1.00 0.00 C ATOM 169 C ALA A 33 12.775 -4.853 -21.299 1.00 0.00 C ATOM 170 O ALA A 33 13.727 -4.064 -21.245 1.00 0.00 O ATOM 171 CB ALA A 33 11.133 -3.585 -22.750 1.00 0.00 C ATOM 0 H ALA A 33 9.957 -5.713 -22.271 1.00 0.00 H new ATOM 0 HA ALA A 33 12.543 -5.082 -23.402 1.00 0.00 H new ATOM 0 HB1 ALA A 33 11.850 -2.765 -22.788 1.00 0.00 H new ATOM 0 HB2 ALA A 33 10.570 -3.618 -23.683 1.00 0.00 H new ATOM 0 HB3 ALA A 33 10.447 -3.428 -21.918 1.00 0.00 H new ATOM 177 N LEU A 34 12.464 -5.688 -20.291 1.00 0.00 N ATOM 178 CA LEU A 34 13.262 -5.812 -19.051 1.00 0.00 C ATOM 179 C LEU A 34 13.675 -7.282 -18.819 1.00 0.00 C ATOM 180 O LEU A 34 13.121 -8.202 -19.427 1.00 0.00 O ATOM 181 CB LEU A 34 12.458 -5.273 -17.830 1.00 0.00 C ATOM 182 CG LEU A 34 12.090 -3.751 -17.850 1.00 0.00 C ATOM 183 CD1 LEU A 34 11.254 -3.357 -16.612 1.00 0.00 C ATOM 184 CD2 LEU A 34 13.353 -2.869 -17.979 1.00 0.00 C ATOM 0 H LEU A 34 11.648 -6.300 -20.311 1.00 0.00 H new ATOM 0 HA LEU A 34 14.166 -5.213 -19.161 1.00 0.00 H new ATOM 0 HB2 LEU A 34 11.534 -5.846 -17.751 1.00 0.00 H new ATOM 0 HB3 LEU A 34 13.035 -5.472 -16.927 1.00 0.00 H new ATOM 0 HG LEU A 34 11.474 -3.574 -18.732 1.00 0.00 H new ATOM 0 HD11 LEU A 34 11.016 -2.294 -16.657 1.00 0.00 H new ATOM 0 HD12 LEU A 34 10.330 -3.936 -16.597 1.00 0.00 H new ATOM 0 HD13 LEU A 34 11.825 -3.563 -15.707 1.00 0.00 H new ATOM 0 HD21 LEU A 34 13.063 -1.818 -17.990 1.00 0.00 H new ATOM 0 HD22 LEU A 34 14.014 -3.054 -17.133 1.00 0.00 H new ATOM 0 HD23 LEU A 34 13.873 -3.112 -18.906 1.00 0.00 H new ATOM 196 N LYS A 35 14.671 -7.481 -17.940 1.00 0.00 N ATOM 197 CA LYS A 35 15.135 -8.812 -17.507 1.00 0.00 C ATOM 198 C LYS A 35 14.747 -9.018 -16.029 1.00 0.00 C ATOM 199 O LYS A 35 15.209 -8.257 -15.175 1.00 0.00 O ATOM 200 CB LYS A 35 16.681 -8.943 -17.690 1.00 0.00 C ATOM 201 CG LYS A 35 17.293 -10.286 -17.214 1.00 0.00 C ATOM 202 CD LYS A 35 16.833 -11.532 -18.024 1.00 0.00 C ATOM 203 CE LYS A 35 17.519 -11.675 -19.402 1.00 0.00 C ATOM 204 NZ LYS A 35 17.194 -10.580 -20.362 1.00 0.00 N ATOM 0 H LYS A 35 15.183 -6.714 -17.504 1.00 0.00 H new ATOM 0 HA LYS A 35 14.661 -9.579 -18.120 1.00 0.00 H new ATOM 0 HB2 LYS A 35 16.918 -8.808 -18.745 1.00 0.00 H new ATOM 0 HB3 LYS A 35 17.165 -8.130 -17.148 1.00 0.00 H new ATOM 0 HG2 LYS A 35 18.379 -10.214 -17.269 1.00 0.00 H new ATOM 0 HG3 LYS A 35 17.036 -10.436 -16.165 1.00 0.00 H new ATOM 0 HD2 LYS A 35 17.031 -12.428 -17.436 1.00 0.00 H new ATOM 0 HD3 LYS A 35 15.754 -11.479 -18.170 1.00 0.00 H new ATOM 0 HE2 LYS A 35 18.599 -11.707 -19.257 1.00 0.00 H new ATOM 0 HE3 LYS A 35 17.228 -12.628 -19.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 17.197 -10.956 -21.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 16.253 -10.195 -20.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 17.905 -9.825 -20.281 1.00 0.00 H new ATOM 218 N PRO A 36 13.876 -10.024 -15.693 1.00 0.00 N ATOM 219 CA PRO A 36 13.511 -10.326 -14.290 1.00 0.00 C ATOM 220 C PRO A 36 14.660 -11.028 -13.536 1.00 0.00 C ATOM 221 O PRO A 36 15.486 -11.727 -14.147 1.00 0.00 O ATOM 222 CB PRO A 36 12.281 -11.244 -14.437 1.00 0.00 C ATOM 223 CG PRO A 36 12.482 -11.938 -15.751 1.00 0.00 C ATOM 224 CD PRO A 36 13.171 -10.929 -16.646 1.00 0.00 C ATOM 0 HA PRO A 36 13.306 -9.430 -13.703 1.00 0.00 H new ATOM 0 HB2 PRO A 36 12.220 -11.959 -13.616 1.00 0.00 H new ATOM 0 HB3 PRO A 36 11.355 -10.670 -14.430 1.00 0.00 H new ATOM 0 HG2 PRO A 36 13.090 -12.835 -15.631 1.00 0.00 H new ATOM 0 HG3 PRO A 36 11.530 -12.253 -16.177 1.00 0.00 H new ATOM 0 HD2 PRO A 36 13.870 -11.412 -17.329 1.00 0.00 H new ATOM 0 HD3 PRO A 36 12.453 -10.383 -17.258 1.00 0.00 H new ATOM 232 N TYR A 37 14.714 -10.826 -12.208 1.00 0.00 N ATOM 233 CA TYR A 37 15.777 -11.397 -11.347 1.00 0.00 C ATOM 234 C TYR A 37 15.316 -12.706 -10.674 1.00 0.00 C ATOM 235 O TYR A 37 16.138 -13.590 -10.392 1.00 0.00 O ATOM 236 CB TYR A 37 16.263 -10.349 -10.301 1.00 0.00 C ATOM 237 CG TYR A 37 15.185 -9.791 -9.347 1.00 0.00 C ATOM 238 CD1 TYR A 37 14.373 -8.717 -9.719 1.00 0.00 C ATOM 239 CD2 TYR A 37 14.994 -10.325 -8.069 1.00 0.00 C ATOM 240 CE1 TYR A 37 13.422 -8.205 -8.855 1.00 0.00 C ATOM 241 CE2 TYR A 37 14.043 -9.818 -7.210 1.00 0.00 C ATOM 242 CZ TYR A 37 13.264 -8.760 -7.606 1.00 0.00 C ATOM 243 OH TYR A 37 12.325 -8.249 -6.742 1.00 0.00 O ATOM 0 H TYR A 37 14.029 -10.267 -11.699 1.00 0.00 H new ATOM 0 HA TYR A 37 16.626 -11.649 -11.982 1.00 0.00 H new ATOM 0 HB2 TYR A 37 17.051 -10.804 -9.700 1.00 0.00 H new ATOM 0 HB3 TYR A 37 16.713 -9.513 -10.837 1.00 0.00 H new ATOM 0 HD1 TYR A 37 14.490 -8.278 -10.699 1.00 0.00 H new ATOM 0 HD2 TYR A 37 15.606 -11.154 -7.747 1.00 0.00 H new ATOM 0 HE1 TYR A 37 12.805 -7.372 -9.160 1.00 0.00 H new ATOM 0 HE2 TYR A 37 13.911 -10.251 -6.230 1.00 0.00 H new ATOM 0 HH TYR A 37 12.342 -8.756 -5.903 1.00 0.00 H new ATOM 253 N ASP A 38 13.992 -12.815 -10.426 1.00 0.00 N ATOM 254 CA ASP A 38 13.360 -14.013 -9.823 1.00 0.00 C ATOM 255 C ASP A 38 11.935 -14.206 -10.365 1.00 0.00 C ATOM 256 O ASP A 38 11.451 -13.411 -11.180 1.00 0.00 O ATOM 257 CB ASP A 38 13.320 -13.927 -8.258 1.00 0.00 C ATOM 258 CG ASP A 38 14.652 -14.309 -7.590 1.00 0.00 C ATOM 259 OD1 ASP A 38 14.982 -15.517 -7.561 1.00 0.00 O ATOM 260 OD2 ASP A 38 15.381 -13.417 -7.113 1.00 0.00 O ATOM 0 H ASP A 38 13.327 -12.071 -10.639 1.00 0.00 H new ATOM 0 HA ASP A 38 13.973 -14.871 -10.101 1.00 0.00 H new ATOM 0 HB2 ASP A 38 13.053 -12.912 -7.964 1.00 0.00 H new ATOM 0 HB3 ASP A 38 12.534 -14.584 -7.886 1.00 0.00 H new ATOM 265 N ARG A 39 11.285 -15.293 -9.898 1.00 0.00 N ATOM 266 CA ARG A 39 9.848 -15.561 -10.108 1.00 0.00 C ATOM 267 C ARG A 39 9.203 -15.934 -8.767 1.00 0.00 C ATOM 268 O ARG A 39 9.852 -16.535 -7.907 1.00 0.00 O ATOM 269 CB ARG A 39 9.617 -16.703 -11.149 1.00 0.00 C ATOM 270 CG ARG A 39 10.086 -16.353 -12.577 1.00 0.00 C ATOM 271 CD ARG A 39 9.505 -17.255 -13.680 1.00 0.00 C ATOM 272 NE ARG A 39 9.598 -16.608 -15.007 1.00 0.00 N ATOM 273 CZ ARG A 39 9.280 -17.171 -16.176 1.00 0.00 C ATOM 274 NH1 ARG A 39 8.942 -18.453 -16.263 1.00 0.00 N ATOM 275 NH2 ARG A 39 9.306 -16.436 -17.267 1.00 0.00 N ATOM 0 H ARG A 39 11.752 -16.020 -9.356 1.00 0.00 H new ATOM 0 HA ARG A 39 9.387 -14.658 -10.507 1.00 0.00 H new ATOM 0 HB2 ARG A 39 10.142 -17.598 -10.814 1.00 0.00 H new ATOM 0 HB3 ARG A 39 8.555 -16.947 -11.176 1.00 0.00 H new ATOM 0 HG2 ARG A 39 9.815 -15.319 -12.791 1.00 0.00 H new ATOM 0 HG3 ARG A 39 11.174 -16.412 -12.613 1.00 0.00 H new ATOM 0 HD2 ARG A 39 10.041 -18.204 -13.697 1.00 0.00 H new ATOM 0 HD3 ARG A 39 8.463 -17.482 -13.456 1.00 0.00 H new ATOM 0 HE ARG A 39 9.935 -15.646 -15.032 1.00 0.00 H new ATOM 0 HH11 ARG A 39 8.921 -19.033 -15.424 1.00 0.00 H new ATOM 0 HH12 ARG A 39 8.704 -18.857 -17.169 1.00 0.00 H new ATOM 0 HH21 ARG A 39 9.566 -15.451 -17.212 1.00 0.00 H new ATOM 0 HH22 ARG A 39 9.066 -16.851 -18.167 1.00 0.00 H new ATOM 289 N ILE A 40 7.935 -15.552 -8.589 1.00 0.00 N ATOM 290 CA ILE A 40 7.116 -15.950 -7.425 1.00 0.00 C ATOM 291 C ILE A 40 5.908 -16.767 -7.919 1.00 0.00 C ATOM 292 O ILE A 40 5.361 -16.487 -8.989 1.00 0.00 O ATOM 293 CB ILE A 40 6.626 -14.698 -6.595 1.00 0.00 C ATOM 294 CG1 ILE A 40 5.750 -13.742 -7.469 1.00 0.00 C ATOM 295 CG2 ILE A 40 7.836 -13.943 -5.980 1.00 0.00 C ATOM 296 CD1 ILE A 40 5.110 -12.593 -6.714 1.00 0.00 C ATOM 0 H ILE A 40 7.438 -14.954 -9.249 1.00 0.00 H new ATOM 0 HA ILE A 40 7.732 -16.555 -6.760 1.00 0.00 H new ATOM 0 HB ILE A 40 5.999 -15.059 -5.780 1.00 0.00 H new ATOM 0 HG12 ILE A 40 6.370 -13.333 -8.267 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.963 -14.328 -7.945 1.00 0.00 H new ATOM 0 HG21 ILE A 40 7.478 -13.084 -5.412 1.00 0.00 H new ATOM 0 HG22 ILE A 40 8.384 -14.613 -5.318 1.00 0.00 H new ATOM 0 HG23 ILE A 40 8.495 -13.601 -6.778 1.00 0.00 H new ATOM 0 HD11 ILE A 40 4.523 -11.986 -7.404 1.00 0.00 H new ATOM 0 HD12 ILE A 40 4.459 -12.988 -5.934 1.00 0.00 H new ATOM 0 HD13 ILE A 40 5.887 -11.978 -6.261 1.00 0.00 H new ATOM 308 N VAL A 41 5.521 -17.796 -7.152 1.00 0.00 N ATOM 309 CA VAL A 41 4.350 -18.634 -7.462 1.00 0.00 C ATOM 310 C VAL A 41 3.404 -18.624 -6.258 1.00 0.00 C ATOM 311 O VAL A 41 3.803 -19.012 -5.158 1.00 0.00 O ATOM 312 CB VAL A 41 4.727 -20.130 -7.800 1.00 0.00 C ATOM 313 CG1 VAL A 41 3.485 -20.905 -8.318 1.00 0.00 C ATOM 314 CG2 VAL A 41 5.903 -20.219 -8.802 1.00 0.00 C ATOM 0 H VAL A 41 6.009 -18.072 -6.300 1.00 0.00 H new ATOM 0 HA VAL A 41 3.878 -18.212 -8.350 1.00 0.00 H new ATOM 0 HB VAL A 41 5.063 -20.601 -6.876 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.766 -21.933 -8.545 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.709 -20.902 -7.553 1.00 0.00 H new ATOM 0 HG13 VAL A 41 3.107 -20.425 -9.220 1.00 0.00 H new ATOM 0 HG21 VAL A 41 6.129 -21.266 -9.006 1.00 0.00 H new ATOM 0 HG22 VAL A 41 5.628 -19.719 -9.731 1.00 0.00 H new ATOM 0 HG23 VAL A 41 6.782 -19.735 -8.376 1.00 0.00 H new ATOM 324 N ILE A 42 2.170 -18.150 -6.468 1.00 0.00 N ATOM 325 CA ILE A 42 1.077 -18.270 -5.480 1.00 0.00 C ATOM 326 C ILE A 42 0.199 -19.481 -5.849 1.00 0.00 C ATOM 327 O ILE A 42 0.236 -19.953 -6.991 1.00 0.00 O ATOM 328 CB ILE A 42 0.191 -16.964 -5.413 1.00 0.00 C ATOM 329 CG1 ILE A 42 -0.479 -16.668 -6.792 1.00 0.00 C ATOM 330 CG2 ILE A 42 1.031 -15.759 -4.925 1.00 0.00 C ATOM 331 CD1 ILE A 42 -1.458 -15.506 -6.809 1.00 0.00 C ATOM 0 H ILE A 42 1.895 -17.671 -7.326 1.00 0.00 H new ATOM 0 HA ILE A 42 1.523 -18.409 -4.495 1.00 0.00 H new ATOM 0 HB ILE A 42 -0.608 -17.131 -4.690 1.00 0.00 H new ATOM 0 HG12 ILE A 42 0.306 -16.470 -7.522 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -1.002 -17.566 -7.122 1.00 0.00 H new ATOM 0 HG21 ILE A 42 0.402 -14.869 -4.886 1.00 0.00 H new ATOM 0 HG22 ILE A 42 1.425 -15.969 -3.931 1.00 0.00 H new ATOM 0 HG23 ILE A 42 1.858 -15.589 -5.614 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -1.865 -15.387 -7.813 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -2.270 -15.704 -6.110 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -0.942 -14.591 -6.516 1.00 0.00 H new ATOM 343 N THR A 43 -0.569 -19.990 -4.876 1.00 0.00 N ATOM 344 CA THR A 43 -1.545 -21.077 -5.078 1.00 0.00 C ATOM 345 C THR A 43 -2.703 -20.861 -4.093 1.00 0.00 C ATOM 346 O THR A 43 -2.458 -20.721 -2.883 1.00 0.00 O ATOM 347 CB THR A 43 -0.905 -22.495 -4.845 1.00 0.00 C ATOM 348 OG1 THR A 43 0.274 -22.643 -5.653 1.00 0.00 O ATOM 349 CG2 THR A 43 -1.890 -23.637 -5.173 1.00 0.00 C ATOM 0 H THR A 43 -0.532 -19.656 -3.913 1.00 0.00 H new ATOM 0 HA THR A 43 -1.895 -21.051 -6.110 1.00 0.00 H new ATOM 0 HB THR A 43 -0.648 -22.562 -3.788 1.00 0.00 H new ATOM 0 HG1 THR A 43 0.666 -23.528 -5.500 1.00 0.00 H new ATOM 0 HG21 THR A 43 -1.405 -24.597 -4.998 1.00 0.00 H new ATOM 0 HG22 THR A 43 -2.770 -23.553 -4.535 1.00 0.00 H new ATOM 0 HG23 THR A 43 -2.192 -23.568 -6.218 1.00 0.00 H new ATOM 357 N GLY A 44 -3.947 -20.818 -4.597 1.00 0.00 N ATOM 358 CA GLY A 44 -5.110 -20.558 -3.751 1.00 0.00 C ATOM 359 C GLY A 44 -6.393 -21.156 -4.309 1.00 0.00 C ATOM 360 O GLY A 44 -6.518 -21.350 -5.526 1.00 0.00 O ATOM 0 H GLY A 44 -4.167 -20.960 -5.583 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -4.928 -20.965 -2.756 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -5.236 -19.481 -3.637 1.00 0.00 H new ATOM 364 N ARG A 45 -7.342 -21.452 -3.399 1.00 0.00 N ATOM 365 CA ARG A 45 -8.636 -22.067 -3.737 1.00 0.00 C ATOM 366 C ARG A 45 -9.656 -20.976 -4.099 1.00 0.00 C ATOM 367 O ARG A 45 -9.719 -19.928 -3.431 1.00 0.00 O ATOM 368 CB ARG A 45 -9.183 -22.946 -2.562 1.00 0.00 C ATOM 369 CG ARG A 45 -8.350 -24.216 -2.214 1.00 0.00 C ATOM 370 CD ARG A 45 -7.035 -23.894 -1.491 1.00 0.00 C ATOM 371 NE ARG A 45 -6.131 -25.053 -1.407 1.00 0.00 N ATOM 372 CZ ARG A 45 -4.789 -24.985 -1.467 1.00 0.00 C ATOM 373 NH1 ARG A 45 -4.173 -23.814 -1.618 1.00 0.00 N ATOM 374 NH2 ARG A 45 -4.075 -26.092 -1.378 1.00 0.00 N ATOM 0 H ARG A 45 -7.229 -21.269 -2.402 1.00 0.00 H new ATOM 0 HA ARG A 45 -8.481 -22.720 -4.596 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -9.250 -22.324 -1.670 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -10.198 -23.258 -2.810 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -8.950 -24.876 -1.588 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -8.129 -24.761 -3.132 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -6.529 -23.081 -2.012 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -7.257 -23.538 -0.485 1.00 0.00 H new ATOM 0 HE ARG A 45 -6.553 -25.975 -1.295 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -4.720 -22.956 -1.690 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -3.155 -23.775 -1.662 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -4.541 -26.992 -1.264 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -3.057 -26.047 -1.423 1.00 0.00 H new ATOM 388 N PHE A 46 -10.402 -21.228 -5.188 1.00 0.00 N ATOM 389 CA PHE A 46 -11.567 -20.429 -5.614 1.00 0.00 C ATOM 390 C PHE A 46 -11.163 -18.982 -6.017 1.00 0.00 C ATOM 391 O PHE A 46 -11.986 -18.058 -5.988 1.00 0.00 O ATOM 392 CB PHE A 46 -12.671 -20.476 -4.499 1.00 0.00 C ATOM 393 CG PHE A 46 -14.015 -19.867 -4.894 1.00 0.00 C ATOM 394 CD1 PHE A 46 -14.773 -20.423 -5.924 1.00 0.00 C ATOM 395 CD2 PHE A 46 -14.508 -18.727 -4.255 1.00 0.00 C ATOM 396 CE1 PHE A 46 -15.974 -19.855 -6.305 1.00 0.00 C ATOM 397 CE2 PHE A 46 -15.705 -18.159 -4.642 1.00 0.00 C ATOM 398 CZ PHE A 46 -16.442 -18.729 -5.661 1.00 0.00 C ATOM 0 H PHE A 46 -10.208 -22.011 -5.812 1.00 0.00 H new ATOM 0 HA PHE A 46 -11.990 -20.867 -6.518 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -12.831 -21.515 -4.211 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -12.298 -19.954 -3.618 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -14.417 -21.308 -6.430 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -13.945 -18.284 -3.447 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -16.547 -20.294 -7.108 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -16.065 -17.269 -4.148 1.00 0.00 H new ATOM 0 HZ PHE A 46 -17.386 -18.293 -5.954 1.00 0.00 H new ATOM 408 N ASN A 47 -9.891 -18.792 -6.430 1.00 0.00 N ATOM 409 CA ASN A 47 -9.394 -17.469 -6.871 1.00 0.00 C ATOM 410 C ASN A 47 -10.031 -17.092 -8.212 1.00 0.00 C ATOM 411 O ASN A 47 -10.173 -17.940 -9.099 1.00 0.00 O ATOM 412 CB ASN A 47 -7.840 -17.441 -7.002 1.00 0.00 C ATOM 413 CG ASN A 47 -7.073 -17.667 -5.693 1.00 0.00 C ATOM 414 OD1 ASN A 47 -5.955 -18.179 -5.705 1.00 0.00 O ATOM 415 ND2 ASN A 47 -7.638 -17.262 -4.558 1.00 0.00 N ATOM 0 H ASN A 47 -9.192 -19.534 -6.467 1.00 0.00 H new ATOM 0 HA ASN A 47 -9.676 -16.743 -6.108 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -7.537 -18.204 -7.719 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -7.543 -16.478 -7.417 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -7.142 -17.374 -3.673 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -8.566 -16.840 -4.573 1.00 0.00 H new ATOM 422 N ALA A 48 -10.460 -15.831 -8.330 1.00 0.00 N ATOM 423 CA ALA A 48 -10.815 -15.227 -9.625 1.00 0.00 C ATOM 424 C ALA A 48 -9.528 -14.740 -10.308 1.00 0.00 C ATOM 425 O ALA A 48 -8.465 -14.731 -9.674 1.00 0.00 O ATOM 426 CB ALA A 48 -11.802 -14.072 -9.420 1.00 0.00 C ATOM 0 H ALA A 48 -10.572 -15.200 -7.536 1.00 0.00 H new ATOM 0 HA ALA A 48 -11.302 -15.966 -10.261 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -12.056 -13.635 -10.386 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -12.707 -14.447 -8.942 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -11.346 -13.312 -8.786 1.00 0.00 H new ATOM 432 N ILE A 49 -9.616 -14.333 -11.587 1.00 0.00 N ATOM 433 CA ILE A 49 -8.445 -13.812 -12.322 1.00 0.00 C ATOM 434 C ILE A 49 -7.911 -12.536 -11.627 1.00 0.00 C ATOM 435 O ILE A 49 -6.732 -12.481 -11.277 1.00 0.00 O ATOM 436 CB ILE A 49 -8.750 -13.553 -13.855 1.00 0.00 C ATOM 437 CG1 ILE A 49 -7.494 -12.983 -14.611 1.00 0.00 C ATOM 438 CG2 ILE A 49 -9.983 -12.643 -14.049 1.00 0.00 C ATOM 439 CD1 ILE A 49 -6.256 -13.877 -14.579 1.00 0.00 C ATOM 0 H ILE A 49 -10.478 -14.354 -12.131 1.00 0.00 H new ATOM 0 HA ILE A 49 -7.671 -14.580 -12.296 1.00 0.00 H new ATOM 0 HB ILE A 49 -8.987 -14.520 -14.298 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -7.766 -12.803 -15.651 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -7.236 -12.017 -14.177 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -10.158 -12.490 -15.114 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -10.858 -13.115 -13.601 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -9.804 -11.681 -13.569 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -5.446 -13.396 -15.127 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -5.950 -14.037 -13.545 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -6.488 -14.836 -15.042 1.00 0.00 H new ATOM 451 N GLY A 50 -8.811 -11.572 -11.348 1.00 0.00 N ATOM 452 CA GLY A 50 -8.437 -10.313 -10.688 1.00 0.00 C ATOM 453 C GLY A 50 -8.070 -10.492 -9.222 1.00 0.00 C ATOM 454 O GLY A 50 -7.258 -9.737 -8.682 1.00 0.00 O ATOM 0 H GLY A 50 -9.803 -11.645 -11.572 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -7.593 -9.870 -11.216 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -9.266 -9.609 -10.765 1.00 0.00 H new ATOM 458 N ASP A 51 -8.677 -11.505 -8.587 1.00 0.00 N ATOM 459 CA ASP A 51 -8.397 -11.889 -7.186 1.00 0.00 C ATOM 460 C ASP A 51 -6.982 -12.488 -7.066 1.00 0.00 C ATOM 461 O ASP A 51 -6.273 -12.252 -6.079 1.00 0.00 O ATOM 462 CB ASP A 51 -9.473 -12.897 -6.701 1.00 0.00 C ATOM 463 CG ASP A 51 -9.279 -13.394 -5.254 1.00 0.00 C ATOM 464 OD1 ASP A 51 -9.403 -12.582 -4.318 1.00 0.00 O ATOM 465 OD2 ASP A 51 -9.047 -14.606 -5.048 1.00 0.00 O ATOM 0 H ASP A 51 -9.384 -12.090 -9.032 1.00 0.00 H new ATOM 0 HA ASP A 51 -8.437 -11.003 -6.552 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -10.454 -12.429 -6.782 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -9.474 -13.758 -7.370 1.00 0.00 H new ATOM 470 N ALA A 52 -6.574 -13.240 -8.105 1.00 0.00 N ATOM 471 CA ALA A 52 -5.232 -13.830 -8.205 1.00 0.00 C ATOM 472 C ALA A 52 -4.188 -12.751 -8.544 1.00 0.00 C ATOM 473 O ALA A 52 -3.044 -12.822 -8.086 1.00 0.00 O ATOM 474 CB ALA A 52 -5.213 -14.945 -9.259 1.00 0.00 C ATOM 0 H ALA A 52 -7.173 -13.455 -8.902 1.00 0.00 H new ATOM 0 HA ALA A 52 -4.975 -14.263 -7.238 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -4.212 -15.371 -9.320 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -5.922 -15.724 -8.978 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -5.492 -14.534 -10.229 1.00 0.00 H new ATOM 480 N VAL A 53 -4.599 -11.755 -9.360 1.00 0.00 N ATOM 481 CA VAL A 53 -3.746 -10.597 -9.702 1.00 0.00 C ATOM 482 C VAL A 53 -3.502 -9.726 -8.450 1.00 0.00 C ATOM 483 O VAL A 53 -2.386 -9.257 -8.231 1.00 0.00 O ATOM 484 CB VAL A 53 -4.347 -9.732 -10.879 1.00 0.00 C ATOM 485 CG1 VAL A 53 -3.533 -8.432 -11.129 1.00 0.00 C ATOM 486 CG2 VAL A 53 -4.432 -10.559 -12.183 1.00 0.00 C ATOM 0 H VAL A 53 -5.521 -11.731 -9.795 1.00 0.00 H new ATOM 0 HA VAL A 53 -2.792 -10.989 -10.056 1.00 0.00 H new ATOM 0 HB VAL A 53 -5.352 -9.441 -10.573 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -3.985 -7.871 -11.947 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.536 -7.822 -10.226 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -2.506 -8.690 -11.390 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -4.849 -9.942 -12.979 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -3.434 -10.893 -12.468 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -5.073 -11.426 -12.023 1.00 0.00 H new ATOM 496 N SER A 54 -4.548 -9.562 -7.616 1.00 0.00 N ATOM 497 CA SER A 54 -4.463 -8.809 -6.346 1.00 0.00 C ATOM 498 C SER A 54 -3.523 -9.521 -5.359 1.00 0.00 C ATOM 499 O SER A 54 -2.771 -8.873 -4.613 1.00 0.00 O ATOM 500 CB SER A 54 -5.866 -8.645 -5.726 1.00 0.00 C ATOM 501 OG SER A 54 -5.842 -7.855 -4.542 1.00 0.00 O ATOM 0 H SER A 54 -5.474 -9.946 -7.802 1.00 0.00 H new ATOM 0 HA SER A 54 -4.057 -7.820 -6.557 1.00 0.00 H new ATOM 0 HB2 SER A 54 -6.532 -8.183 -6.455 1.00 0.00 H new ATOM 0 HB3 SER A 54 -6.277 -9.628 -5.496 1.00 0.00 H new ATOM 0 HG SER A 54 -6.751 -7.775 -4.183 1.00 0.00 H new ATOM 507 N ALA A 55 -3.567 -10.866 -5.387 1.00 0.00 N ATOM 508 CA ALA A 55 -2.735 -11.718 -4.533 1.00 0.00 C ATOM 509 C ALA A 55 -1.252 -11.609 -4.924 1.00 0.00 C ATOM 510 O ALA A 55 -0.403 -11.380 -4.068 1.00 0.00 O ATOM 511 CB ALA A 55 -3.217 -13.172 -4.616 1.00 0.00 C ATOM 0 H ALA A 55 -4.185 -11.389 -6.007 1.00 0.00 H new ATOM 0 HA ALA A 55 -2.830 -11.376 -3.502 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -2.594 -13.799 -3.979 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -4.253 -13.232 -4.282 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -3.148 -13.520 -5.647 1.00 0.00 H new ATOM 517 N VAL A 56 -0.968 -11.734 -6.232 1.00 0.00 N ATOM 518 CA VAL A 56 0.411 -11.782 -6.760 1.00 0.00 C ATOM 519 C VAL A 56 1.061 -10.377 -6.811 1.00 0.00 C ATOM 520 O VAL A 56 2.287 -10.258 -6.713 1.00 0.00 O ATOM 521 CB VAL A 56 0.462 -12.485 -8.173 1.00 0.00 C ATOM 522 CG1 VAL A 56 -0.243 -11.661 -9.262 1.00 0.00 C ATOM 523 CG2 VAL A 56 1.907 -12.856 -8.585 1.00 0.00 C ATOM 0 H VAL A 56 -1.685 -11.805 -6.954 1.00 0.00 H new ATOM 0 HA VAL A 56 0.997 -12.384 -6.066 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.094 -13.417 -8.073 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -0.180 -12.187 -10.214 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -1.290 -11.522 -8.993 1.00 0.00 H new ATOM 0 HG13 VAL A 56 0.240 -10.688 -9.352 1.00 0.00 H new ATOM 0 HG21 VAL A 56 1.894 -13.337 -9.563 1.00 0.00 H new ATOM 0 HG22 VAL A 56 2.515 -11.953 -8.633 1.00 0.00 H new ATOM 0 HG23 VAL A 56 2.331 -13.540 -7.850 1.00 0.00 H new ATOM 533 N SER A 57 0.234 -9.316 -6.956 1.00 0.00 N ATOM 534 CA SER A 57 0.723 -7.918 -6.964 1.00 0.00 C ATOM 535 C SER A 57 1.210 -7.521 -5.569 1.00 0.00 C ATOM 536 O SER A 57 2.315 -6.983 -5.411 1.00 0.00 O ATOM 537 CB SER A 57 -0.372 -6.940 -7.450 1.00 0.00 C ATOM 538 OG SER A 57 -1.544 -7.026 -6.663 1.00 0.00 O ATOM 0 H SER A 57 -0.776 -9.402 -7.069 1.00 0.00 H new ATOM 0 HA SER A 57 1.557 -7.858 -7.663 1.00 0.00 H new ATOM 0 HB2 SER A 57 0.012 -5.920 -7.419 1.00 0.00 H new ATOM 0 HB3 SER A 57 -0.616 -7.157 -8.490 1.00 0.00 H new ATOM 0 HG SER A 57 -2.019 -7.857 -6.874 1.00 0.00 H new ATOM 544 N ARG A 58 0.374 -7.817 -4.553 1.00 0.00 N ATOM 545 CA ARG A 58 0.723 -7.583 -3.150 1.00 0.00 C ATOM 546 C ARG A 58 1.922 -8.460 -2.761 1.00 0.00 C ATOM 547 O ARG A 58 2.881 -7.963 -2.198 1.00 0.00 O ATOM 548 CB ARG A 58 -0.475 -7.859 -2.200 1.00 0.00 C ATOM 549 CG ARG A 58 -0.139 -7.597 -0.718 1.00 0.00 C ATOM 550 CD ARG A 58 -1.303 -7.837 0.247 1.00 0.00 C ATOM 551 NE ARG A 58 -0.863 -7.606 1.636 1.00 0.00 N ATOM 552 CZ ARG A 58 -0.842 -8.522 2.615 1.00 0.00 C ATOM 553 NH1 ARG A 58 -1.379 -9.729 2.439 1.00 0.00 N ATOM 554 NH2 ARG A 58 -0.292 -8.213 3.780 1.00 0.00 N ATOM 0 H ARG A 58 -0.553 -8.221 -4.687 1.00 0.00 H new ATOM 0 HA ARG A 58 0.988 -6.531 -3.042 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -1.316 -7.231 -2.493 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -0.794 -8.895 -2.317 1.00 0.00 H new ATOM 0 HG2 ARG A 58 0.695 -8.237 -0.429 1.00 0.00 H new ATOM 0 HG3 ARG A 58 0.199 -6.566 -0.611 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -2.131 -7.171 0.004 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -1.672 -8.857 0.139 1.00 0.00 H new ATOM 0 HE ARG A 58 -0.547 -6.666 1.873 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -1.815 -9.968 1.548 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -1.354 -10.413 3.195 1.00 0.00 H new ATOM 0 HH21 ARG A 58 0.110 -7.287 3.925 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -0.270 -8.902 4.532 1.00 0.00 H new ATOM 568 N ARG A 59 1.855 -9.759 -3.132 1.00 0.00 N ATOM 569 CA ARG A 59 2.905 -10.760 -2.834 1.00 0.00 C ATOM 570 C ARG A 59 4.278 -10.284 -3.330 1.00 0.00 C ATOM 571 O ARG A 59 5.237 -10.272 -2.560 1.00 0.00 O ATOM 572 CB ARG A 59 2.530 -12.144 -3.446 1.00 0.00 C ATOM 573 CG ARG A 59 3.583 -13.280 -3.323 1.00 0.00 C ATOM 574 CD ARG A 59 4.126 -13.479 -1.897 1.00 0.00 C ATOM 575 NE ARG A 59 3.064 -13.615 -0.883 1.00 0.00 N ATOM 576 CZ ARG A 59 3.221 -13.368 0.427 1.00 0.00 C ATOM 577 NH1 ARG A 59 4.386 -12.936 0.904 1.00 0.00 N ATOM 578 NH2 ARG A 59 2.199 -13.529 1.247 1.00 0.00 N ATOM 0 H ARG A 59 1.066 -10.145 -3.650 1.00 0.00 H new ATOM 0 HA ARG A 59 2.970 -10.876 -1.752 1.00 0.00 H new ATOM 0 HB2 ARG A 59 1.608 -12.484 -2.974 1.00 0.00 H new ATOM 0 HB3 ARG A 59 2.311 -11.998 -4.504 1.00 0.00 H new ATOM 0 HG2 ARG A 59 3.136 -14.214 -3.664 1.00 0.00 H new ATOM 0 HG3 ARG A 59 4.416 -13.063 -3.991 1.00 0.00 H new ATOM 0 HD2 ARG A 59 4.755 -14.369 -1.876 1.00 0.00 H new ATOM 0 HD3 ARG A 59 4.762 -12.633 -1.636 1.00 0.00 H new ATOM 0 HE ARG A 59 2.143 -13.919 -1.200 1.00 0.00 H new ATOM 0 HH11 ARG A 59 5.173 -12.789 0.272 1.00 0.00 H new ATOM 0 HH12 ARG A 59 4.492 -12.752 1.902 1.00 0.00 H new ATOM 0 HH21 ARG A 59 1.298 -13.839 0.884 1.00 0.00 H new ATOM 0 HH22 ARG A 59 2.311 -13.343 2.244 1.00 0.00 H new ATOM 592 N ALA A 60 4.328 -9.835 -4.595 1.00 0.00 N ATOM 593 CA ALA A 60 5.563 -9.312 -5.218 1.00 0.00 C ATOM 594 C ALA A 60 6.117 -8.128 -4.406 1.00 0.00 C ATOM 595 O ALA A 60 7.309 -8.072 -4.110 1.00 0.00 O ATOM 596 CB ALA A 60 5.292 -8.901 -6.672 1.00 0.00 C ATOM 0 H ALA A 60 3.519 -9.823 -5.216 1.00 0.00 H new ATOM 0 HA ALA A 60 6.315 -10.101 -5.220 1.00 0.00 H new ATOM 0 HB1 ALA A 60 6.209 -8.518 -7.119 1.00 0.00 H new ATOM 0 HB2 ALA A 60 4.948 -9.767 -7.237 1.00 0.00 H new ATOM 0 HB3 ALA A 60 4.526 -8.126 -6.694 1.00 0.00 H new ATOM 602 N ASP A 61 5.210 -7.229 -3.999 1.00 0.00 N ATOM 603 CA ASP A 61 5.546 -6.030 -3.204 1.00 0.00 C ATOM 604 C ASP A 61 6.092 -6.432 -1.808 1.00 0.00 C ATOM 605 O ASP A 61 6.994 -5.778 -1.276 1.00 0.00 O ATOM 606 CB ASP A 61 4.289 -5.133 -3.079 1.00 0.00 C ATOM 607 CG ASP A 61 4.555 -3.721 -2.510 1.00 0.00 C ATOM 608 OD1 ASP A 61 4.720 -3.573 -1.275 1.00 0.00 O ATOM 609 OD2 ASP A 61 4.538 -2.737 -3.287 1.00 0.00 O ATOM 0 H ASP A 61 4.216 -7.310 -4.211 1.00 0.00 H new ATOM 0 HA ASP A 61 6.331 -5.468 -3.709 1.00 0.00 H new ATOM 0 HB2 ASP A 61 3.832 -5.033 -4.064 1.00 0.00 H new ATOM 0 HB3 ASP A 61 3.563 -5.636 -2.440 1.00 0.00 H new ATOM 614 N GLU A 62 5.557 -7.540 -1.242 1.00 0.00 N ATOM 615 CA GLU A 62 6.009 -8.084 0.059 1.00 0.00 C ATOM 616 C GLU A 62 7.422 -8.693 -0.070 1.00 0.00 C ATOM 617 O GLU A 62 8.199 -8.689 0.890 1.00 0.00 O ATOM 618 CB GLU A 62 5.015 -9.159 0.597 1.00 0.00 C ATOM 619 CG GLU A 62 3.550 -8.695 0.771 1.00 0.00 C ATOM 620 CD GLU A 62 3.376 -7.514 1.743 1.00 0.00 C ATOM 621 OE1 GLU A 62 3.452 -6.340 1.315 1.00 0.00 O ATOM 622 OE2 GLU A 62 3.150 -7.749 2.949 1.00 0.00 O ATOM 0 H GLU A 62 4.805 -8.078 -1.672 1.00 0.00 H new ATOM 0 HA GLU A 62 6.041 -7.259 0.770 1.00 0.00 H new ATOM 0 HB2 GLU A 62 5.028 -10.011 -0.083 1.00 0.00 H new ATOM 0 HB3 GLU A 62 5.380 -9.514 1.560 1.00 0.00 H new ATOM 0 HG2 GLU A 62 3.152 -8.411 -0.203 1.00 0.00 H new ATOM 0 HG3 GLU A 62 2.954 -9.535 1.127 1.00 0.00 H new ATOM 629 N GLU A 63 7.748 -9.209 -1.272 1.00 0.00 N ATOM 630 CA GLU A 63 9.092 -9.739 -1.583 1.00 0.00 C ATOM 631 C GLU A 63 10.086 -8.589 -1.858 1.00 0.00 C ATOM 632 O GLU A 63 11.298 -8.816 -1.955 1.00 0.00 O ATOM 633 CB GLU A 63 9.032 -10.700 -2.808 1.00 0.00 C ATOM 634 CG GLU A 63 7.941 -11.793 -2.740 1.00 0.00 C ATOM 635 CD GLU A 63 7.929 -12.596 -1.423 1.00 0.00 C ATOM 636 OE1 GLU A 63 8.808 -13.461 -1.237 1.00 0.00 O ATOM 637 OE2 GLU A 63 7.040 -12.365 -0.556 1.00 0.00 O ATOM 0 H GLU A 63 7.092 -9.270 -2.051 1.00 0.00 H new ATOM 0 HA GLU A 63 9.442 -10.299 -0.716 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.871 -10.105 -3.707 1.00 0.00 H new ATOM 0 HB3 GLU A 63 10.002 -11.185 -2.916 1.00 0.00 H new ATOM 0 HG2 GLU A 63 6.966 -11.326 -2.876 1.00 0.00 H new ATOM 0 HG3 GLU A 63 8.082 -12.483 -3.572 1.00 0.00 H new ATOM 644 N GLY A 64 9.559 -7.352 -1.977 1.00 0.00 N ATOM 645 CA GLY A 64 10.373 -6.160 -2.242 1.00 0.00 C ATOM 646 C GLY A 64 10.513 -5.849 -3.730 1.00 0.00 C ATOM 647 O GLY A 64 11.306 -4.983 -4.115 1.00 0.00 O ATOM 0 H GLY A 64 8.561 -7.158 -1.892 1.00 0.00 H new ATOM 0 HA2 GLY A 64 9.926 -5.303 -1.738 1.00 0.00 H new ATOM 0 HA3 GLY A 64 11.364 -6.301 -1.812 1.00 0.00 H new ATOM 651 N ALA A 65 9.721 -6.544 -4.562 1.00 0.00 N ATOM 652 CA ALA A 65 9.704 -6.358 -6.022 1.00 0.00 C ATOM 653 C ALA A 65 8.911 -5.104 -6.400 1.00 0.00 C ATOM 654 O ALA A 65 7.896 -4.785 -5.767 1.00 0.00 O ATOM 655 CB ALA A 65 9.117 -7.597 -6.713 1.00 0.00 C ATOM 0 H ALA A 65 9.068 -7.257 -4.237 1.00 0.00 H new ATOM 0 HA ALA A 65 10.731 -6.226 -6.363 1.00 0.00 H new ATOM 0 HB1 ALA A 65 9.111 -7.443 -7.792 1.00 0.00 H new ATOM 0 HB2 ALA A 65 9.725 -8.469 -6.474 1.00 0.00 H new ATOM 0 HB3 ALA A 65 8.097 -7.759 -6.364 1.00 0.00 H new ATOM 661 N ALA A 66 9.393 -4.408 -7.433 1.00 0.00 N ATOM 662 CA ALA A 66 8.800 -3.152 -7.918 1.00 0.00 C ATOM 663 C ALA A 66 7.687 -3.425 -8.943 1.00 0.00 C ATOM 664 O ALA A 66 6.681 -2.711 -8.992 1.00 0.00 O ATOM 665 CB ALA A 66 9.895 -2.274 -8.531 1.00 0.00 C ATOM 0 H ALA A 66 10.214 -4.701 -7.963 1.00 0.00 H new ATOM 0 HA ALA A 66 8.349 -2.628 -7.075 1.00 0.00 H new ATOM 0 HB1 ALA A 66 9.456 -1.343 -8.891 1.00 0.00 H new ATOM 0 HB2 ALA A 66 10.649 -2.052 -7.776 1.00 0.00 H new ATOM 0 HB3 ALA A 66 10.360 -2.801 -9.364 1.00 0.00 H new ATOM 671 N SER A 67 7.896 -4.458 -9.778 1.00 0.00 N ATOM 672 CA SER A 67 6.950 -4.865 -10.834 1.00 0.00 C ATOM 673 C SER A 67 6.869 -6.403 -10.916 1.00 0.00 C ATOM 674 O SER A 67 7.655 -7.105 -10.269 1.00 0.00 O ATOM 675 CB SER A 67 7.390 -4.259 -12.197 1.00 0.00 C ATOM 676 OG SER A 67 7.460 -2.838 -12.144 1.00 0.00 O ATOM 0 H SER A 67 8.733 -5.039 -9.739 1.00 0.00 H new ATOM 0 HA SER A 67 5.957 -4.487 -10.591 1.00 0.00 H new ATOM 0 HB2 SER A 67 8.364 -4.661 -12.476 1.00 0.00 H new ATOM 0 HB3 SER A 67 6.686 -4.560 -12.973 1.00 0.00 H new ATOM 0 HG SER A 67 7.741 -2.492 -13.017 1.00 0.00 H new ATOM 682 N PHE A 68 5.904 -6.907 -11.707 1.00 0.00 N ATOM 683 CA PHE A 68 5.738 -8.353 -11.961 1.00 0.00 C ATOM 684 C PHE A 68 5.028 -8.566 -13.312 1.00 0.00 C ATOM 685 O PHE A 68 4.374 -7.650 -13.820 1.00 0.00 O ATOM 686 CB PHE A 68 4.929 -9.038 -10.812 1.00 0.00 C ATOM 687 CG PHE A 68 3.424 -8.739 -10.835 1.00 0.00 C ATOM 688 CD1 PHE A 68 2.915 -7.542 -10.333 1.00 0.00 C ATOM 689 CD2 PHE A 68 2.516 -9.654 -11.387 1.00 0.00 C ATOM 690 CE1 PHE A 68 1.559 -7.273 -10.384 1.00 0.00 C ATOM 691 CE2 PHE A 68 1.165 -9.376 -11.438 1.00 0.00 C ATOM 692 CZ PHE A 68 0.684 -8.194 -10.931 1.00 0.00 C ATOM 0 H PHE A 68 5.218 -6.326 -12.188 1.00 0.00 H new ATOM 0 HA PHE A 68 6.726 -8.812 -11.995 1.00 0.00 H new ATOM 0 HB2 PHE A 68 5.074 -10.116 -10.874 1.00 0.00 H new ATOM 0 HB3 PHE A 68 5.337 -8.716 -9.854 1.00 0.00 H new ATOM 0 HD1 PHE A 68 3.587 -6.816 -9.899 1.00 0.00 H new ATOM 0 HD2 PHE A 68 2.880 -10.592 -11.779 1.00 0.00 H new ATOM 0 HE1 PHE A 68 1.182 -6.339 -9.995 1.00 0.00 H new ATOM 0 HE2 PHE A 68 0.484 -10.090 -11.878 1.00 0.00 H new ATOM 0 HZ PHE A 68 -0.375 -7.984 -10.959 1.00 0.00 H new ATOM 702 N TYR A 69 5.123 -9.790 -13.849 1.00 0.00 N ATOM 703 CA TYR A 69 4.396 -10.207 -15.056 1.00 0.00 C ATOM 704 C TYR A 69 4.040 -11.704 -14.963 1.00 0.00 C ATOM 705 O TYR A 69 4.925 -12.555 -14.905 1.00 0.00 O ATOM 706 CB TYR A 69 5.232 -9.907 -16.333 1.00 0.00 C ATOM 707 CG TYR A 69 4.723 -10.604 -17.611 1.00 0.00 C ATOM 708 CD1 TYR A 69 3.425 -10.389 -18.083 1.00 0.00 C ATOM 709 CD2 TYR A 69 5.530 -11.498 -18.327 1.00 0.00 C ATOM 710 CE1 TYR A 69 2.953 -11.043 -19.206 1.00 0.00 C ATOM 711 CE2 TYR A 69 5.062 -12.143 -19.458 1.00 0.00 C ATOM 712 CZ TYR A 69 3.773 -11.915 -19.890 1.00 0.00 C ATOM 713 OH TYR A 69 3.295 -12.571 -21.008 1.00 0.00 O ATOM 0 H TYR A 69 5.711 -10.524 -13.455 1.00 0.00 H new ATOM 0 HA TYR A 69 3.470 -9.636 -15.126 1.00 0.00 H new ATOM 0 HB2 TYR A 69 5.241 -8.830 -16.501 1.00 0.00 H new ATOM 0 HB3 TYR A 69 6.264 -10.210 -16.156 1.00 0.00 H new ATOM 0 HD1 TYR A 69 2.779 -9.699 -17.561 1.00 0.00 H new ATOM 0 HD2 TYR A 69 6.538 -11.688 -17.989 1.00 0.00 H new ATOM 0 HE1 TYR A 69 1.943 -10.871 -19.547 1.00 0.00 H new ATOM 0 HE2 TYR A 69 5.704 -12.822 -20.000 1.00 0.00 H new ATOM 0 HH TYR A 69 3.998 -13.148 -21.374 1.00 0.00 H new ATOM 723 N VAL A 70 2.729 -12.002 -14.962 1.00 0.00 N ATOM 724 CA VAL A 70 2.210 -13.380 -14.946 1.00 0.00 C ATOM 725 C VAL A 70 2.514 -14.076 -16.284 1.00 0.00 C ATOM 726 O VAL A 70 1.999 -13.675 -17.336 1.00 0.00 O ATOM 727 CB VAL A 70 0.664 -13.413 -14.647 1.00 0.00 C ATOM 728 CG1 VAL A 70 0.107 -14.861 -14.683 1.00 0.00 C ATOM 729 CG2 VAL A 70 0.353 -12.715 -13.294 1.00 0.00 C ATOM 0 H VAL A 70 1.998 -11.291 -14.972 1.00 0.00 H new ATOM 0 HA VAL A 70 2.712 -13.918 -14.142 1.00 0.00 H new ATOM 0 HB VAL A 70 0.157 -12.858 -15.436 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -0.962 -14.845 -14.472 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.276 -15.291 -15.670 1.00 0.00 H new ATOM 0 HG13 VAL A 70 0.616 -15.465 -13.932 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -0.720 -12.748 -13.106 1.00 0.00 H new ATOM 0 HG22 VAL A 70 0.879 -13.230 -12.490 1.00 0.00 H new ATOM 0 HG23 VAL A 70 0.682 -11.677 -13.336 1.00 0.00 H new ATOM 739 N VAL A 71 3.368 -15.107 -16.236 1.00 0.00 N ATOM 740 CA VAL A 71 3.782 -15.858 -17.429 1.00 0.00 C ATOM 741 C VAL A 71 2.912 -17.109 -17.626 1.00 0.00 C ATOM 742 O VAL A 71 2.743 -17.578 -18.760 1.00 0.00 O ATOM 743 CB VAL A 71 5.305 -16.248 -17.364 1.00 0.00 C ATOM 744 CG1 VAL A 71 6.196 -14.984 -17.362 1.00 0.00 C ATOM 745 CG2 VAL A 71 5.610 -17.143 -16.138 1.00 0.00 C ATOM 0 H VAL A 71 3.791 -15.444 -15.371 1.00 0.00 H new ATOM 0 HA VAL A 71 3.640 -15.204 -18.289 1.00 0.00 H new ATOM 0 HB VAL A 71 5.537 -16.827 -18.258 1.00 0.00 H new ATOM 0 HG11 VAL A 71 7.245 -15.278 -17.317 1.00 0.00 H new ATOM 0 HG12 VAL A 71 6.019 -14.412 -18.273 1.00 0.00 H new ATOM 0 HG13 VAL A 71 5.954 -14.369 -16.495 1.00 0.00 H new ATOM 0 HG21 VAL A 71 6.671 -17.393 -16.125 1.00 0.00 H new ATOM 0 HG22 VAL A 71 5.352 -16.608 -15.224 1.00 0.00 H new ATOM 0 HG23 VAL A 71 5.022 -18.059 -16.201 1.00 0.00 H new ATOM 755 N ASP A 72 2.334 -17.627 -16.527 1.00 0.00 N ATOM 756 CA ASP A 72 1.571 -18.880 -16.552 1.00 0.00 C ATOM 757 C ASP A 72 0.602 -18.968 -15.363 1.00 0.00 C ATOM 758 O ASP A 72 0.896 -18.489 -14.259 1.00 0.00 O ATOM 759 CB ASP A 72 2.537 -20.088 -16.548 1.00 0.00 C ATOM 760 CG ASP A 72 1.821 -21.449 -16.507 1.00 0.00 C ATOM 761 OD1 ASP A 72 1.384 -21.937 -17.568 1.00 0.00 O ATOM 762 OD2 ASP A 72 1.686 -22.029 -15.406 1.00 0.00 O ATOM 0 H ASP A 72 2.384 -17.191 -15.606 1.00 0.00 H new ATOM 0 HA ASP A 72 0.979 -18.898 -17.467 1.00 0.00 H new ATOM 0 HB2 ASP A 72 3.165 -20.044 -17.438 1.00 0.00 H new ATOM 0 HB3 ASP A 72 3.200 -20.010 -15.686 1.00 0.00 H new ATOM 767 N THR A 73 -0.557 -19.595 -15.636 1.00 0.00 N ATOM 768 CA THR A 73 -1.580 -19.951 -14.646 1.00 0.00 C ATOM 769 C THR A 73 -2.040 -21.400 -14.921 1.00 0.00 C ATOM 770 O THR A 73 -2.717 -21.655 -15.921 1.00 0.00 O ATOM 771 CB THR A 73 -2.808 -18.970 -14.717 1.00 0.00 C ATOM 772 OG1 THR A 73 -3.344 -18.925 -16.055 1.00 0.00 O ATOM 773 CG2 THR A 73 -2.442 -17.539 -14.276 1.00 0.00 C ATOM 0 H THR A 73 -0.812 -19.875 -16.583 1.00 0.00 H new ATOM 0 HA THR A 73 -1.155 -19.871 -13.645 1.00 0.00 H new ATOM 0 HB THR A 73 -3.556 -19.359 -14.026 1.00 0.00 H new ATOM 0 HG1 THR A 73 -3.280 -19.814 -16.463 1.00 0.00 H new ATOM 0 HG21 THR A 73 -3.323 -16.901 -14.343 1.00 0.00 H new ATOM 0 HG22 THR A 73 -2.084 -17.556 -13.247 1.00 0.00 H new ATOM 0 HG23 THR A 73 -1.660 -17.147 -14.926 1.00 0.00 H new ATOM 781 N SER A 74 -1.633 -22.360 -14.068 1.00 0.00 N ATOM 782 CA SER A 74 -2.026 -23.781 -14.223 1.00 0.00 C ATOM 783 C SER A 74 -3.091 -24.137 -13.181 1.00 0.00 C ATOM 784 O SER A 74 -2.925 -23.849 -11.993 1.00 0.00 O ATOM 785 CB SER A 74 -0.801 -24.715 -14.088 1.00 0.00 C ATOM 786 OG SER A 74 0.193 -24.395 -15.041 1.00 0.00 O ATOM 0 H SER A 74 -1.032 -22.181 -13.263 1.00 0.00 H new ATOM 0 HA SER A 74 -2.441 -23.921 -15.221 1.00 0.00 H new ATOM 0 HB2 SER A 74 -0.386 -24.632 -13.084 1.00 0.00 H new ATOM 0 HB3 SER A 74 -1.114 -25.751 -14.219 1.00 0.00 H new ATOM 0 HG SER A 74 0.522 -23.486 -14.878 1.00 0.00 H new ATOM 792 N GLU A 75 -4.181 -24.762 -13.637 1.00 0.00 N ATOM 793 CA GLU A 75 -5.314 -25.132 -12.779 1.00 0.00 C ATOM 794 C GLU A 75 -5.125 -26.537 -12.178 1.00 0.00 C ATOM 795 O GLU A 75 -4.540 -27.421 -12.808 1.00 0.00 O ATOM 796 CB GLU A 75 -6.638 -25.022 -13.580 1.00 0.00 C ATOM 797 CG GLU A 75 -6.698 -25.887 -14.858 1.00 0.00 C ATOM 798 CD GLU A 75 -7.944 -25.623 -15.716 1.00 0.00 C ATOM 799 OE1 GLU A 75 -9.002 -26.242 -15.462 1.00 0.00 O ATOM 800 OE2 GLU A 75 -7.873 -24.787 -16.646 1.00 0.00 O ATOM 0 H GLU A 75 -4.304 -25.027 -14.614 1.00 0.00 H new ATOM 0 HA GLU A 75 -5.362 -24.436 -11.941 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -7.465 -25.305 -12.928 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -6.793 -23.979 -13.857 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -5.807 -25.699 -15.457 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -6.676 -26.940 -14.576 1.00 0.00 H new ATOM 866 N ASN A 81 -9.138 -24.500 -7.161 1.00 0.00 N ATOM 867 CA ASN A 81 -7.734 -24.192 -6.805 1.00 0.00 C ATOM 868 C ASN A 81 -6.855 -24.176 -8.062 1.00 0.00 C ATOM 869 O ASN A 81 -7.042 -24.994 -8.971 1.00 0.00 O ATOM 870 CB ASN A 81 -7.196 -25.208 -5.755 1.00 0.00 C ATOM 871 CG ASN A 81 -5.732 -24.970 -5.359 1.00 0.00 C ATOM 872 OD1 ASN A 81 -5.436 -24.146 -4.500 1.00 0.00 O ATOM 873 ND2 ASN A 81 -4.816 -25.699 -5.968 1.00 0.00 N ATOM 0 HA ASN A 81 -7.700 -23.200 -6.355 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -7.818 -25.157 -4.861 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -7.295 -26.217 -6.155 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -3.831 -25.585 -5.728 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -5.093 -26.376 -6.678 1.00 0.00 H new ATOM 880 N TRP A 82 -5.914 -23.219 -8.093 1.00 0.00 N ATOM 881 CA TRP A 82 -4.965 -23.032 -9.196 1.00 0.00 C ATOM 882 C TRP A 82 -3.777 -22.190 -8.731 1.00 0.00 C ATOM 883 O TRP A 82 -3.863 -21.460 -7.734 1.00 0.00 O ATOM 884 CB TRP A 82 -5.650 -22.405 -10.455 1.00 0.00 C ATOM 885 CG TRP A 82 -6.415 -21.109 -10.244 1.00 0.00 C ATOM 886 CD1 TRP A 82 -7.418 -20.890 -9.346 1.00 0.00 C ATOM 887 CD2 TRP A 82 -6.281 -19.890 -10.986 1.00 0.00 C ATOM 888 NE1 TRP A 82 -7.894 -19.620 -9.469 1.00 0.00 N ATOM 889 CE2 TRP A 82 -7.219 -18.985 -10.468 1.00 0.00 C ATOM 890 CE3 TRP A 82 -5.465 -19.472 -12.033 1.00 0.00 C ATOM 891 CZ2 TRP A 82 -7.363 -17.690 -10.951 1.00 0.00 C ATOM 892 CZ3 TRP A 82 -5.607 -18.182 -12.514 1.00 0.00 C ATOM 893 CH2 TRP A 82 -6.552 -17.306 -11.976 1.00 0.00 C ATOM 0 H TRP A 82 -5.791 -22.544 -7.339 1.00 0.00 H new ATOM 0 HA TRP A 82 -4.599 -24.014 -9.495 1.00 0.00 H new ATOM 0 HB2 TRP A 82 -4.881 -22.227 -11.207 1.00 0.00 H new ATOM 0 HB3 TRP A 82 -6.338 -23.142 -10.870 1.00 0.00 H new ATOM 0 HD1 TRP A 82 -7.783 -21.620 -8.638 1.00 0.00 H new ATOM 0 HE1 TRP A 82 -8.637 -19.210 -8.904 1.00 0.00 H new ATOM 0 HE3 TRP A 82 -4.735 -20.142 -12.462 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 -8.091 -17.013 -10.529 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 -4.974 -17.846 -13.322 1.00 0.00 H new ATOM 0 HH2 TRP A 82 -6.641 -16.308 -12.379 1.00 0.00 H new ATOM 904 N ARG A 83 -2.662 -22.325 -9.458 1.00 0.00 N ATOM 905 CA ARG A 83 -1.414 -21.615 -9.181 1.00 0.00 C ATOM 906 C ARG A 83 -1.170 -20.545 -10.248 1.00 0.00 C ATOM 907 O ARG A 83 -1.623 -20.679 -11.392 1.00 0.00 O ATOM 908 CB ARG A 83 -0.234 -22.628 -9.083 1.00 0.00 C ATOM 909 CG ARG A 83 0.020 -23.512 -10.340 1.00 0.00 C ATOM 910 CD ARG A 83 0.957 -22.876 -11.394 1.00 0.00 C ATOM 911 NE ARG A 83 2.363 -22.833 -10.944 1.00 0.00 N ATOM 912 CZ ARG A 83 3.414 -22.608 -11.745 1.00 0.00 C ATOM 913 NH1 ARG A 83 3.244 -22.381 -13.039 1.00 0.00 N ATOM 914 NH2 ARG A 83 4.642 -22.615 -11.250 1.00 0.00 N ATOM 0 H ARG A 83 -2.604 -22.942 -10.268 1.00 0.00 H new ATOM 0 HA ARG A 83 -1.488 -21.106 -8.220 1.00 0.00 H new ATOM 0 HB2 ARG A 83 0.678 -22.072 -8.866 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -0.417 -23.286 -8.233 1.00 0.00 H new ATOM 0 HG2 ARG A 83 0.447 -24.462 -10.020 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -0.937 -23.735 -10.811 1.00 0.00 H new ATOM 0 HD2 ARG A 83 0.893 -23.443 -12.323 1.00 0.00 H new ATOM 0 HD3 ARG A 83 0.618 -21.864 -11.614 1.00 0.00 H new ATOM 0 HE ARG A 83 2.548 -22.985 -9.952 1.00 0.00 H new ATOM 0 HH11 ARG A 83 2.305 -22.376 -13.437 1.00 0.00 H new ATOM 0 HH12 ARG A 83 4.052 -22.211 -13.637 1.00 0.00 H new ATOM 0 HH21 ARG A 83 4.790 -22.792 -10.256 1.00 0.00 H new ATOM 0 HH22 ARG A 83 5.440 -22.443 -11.862 1.00 0.00 H new ATOM 928 N VAL A 84 -0.434 -19.497 -9.860 1.00 0.00 N ATOM 929 CA VAL A 84 -0.112 -18.344 -10.719 1.00 0.00 C ATOM 930 C VAL A 84 1.374 -17.990 -10.515 1.00 0.00 C ATOM 931 O VAL A 84 1.759 -17.570 -9.419 1.00 0.00 O ATOM 932 CB VAL A 84 -1.009 -17.086 -10.375 1.00 0.00 C ATOM 933 CG1 VAL A 84 -0.655 -15.869 -11.259 1.00 0.00 C ATOM 934 CG2 VAL A 84 -2.520 -17.418 -10.463 1.00 0.00 C ATOM 0 H VAL A 84 -0.037 -19.422 -8.924 1.00 0.00 H new ATOM 0 HA VAL A 84 -0.311 -18.613 -11.756 1.00 0.00 H new ATOM 0 HB VAL A 84 -0.790 -16.816 -9.342 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -1.293 -15.027 -10.991 1.00 0.00 H new ATOM 0 HG12 VAL A 84 0.389 -15.597 -11.103 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -0.811 -16.123 -12.307 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -3.103 -16.529 -10.220 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -2.762 -17.746 -11.474 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -2.760 -18.213 -9.757 1.00 0.00 H new ATOM 944 N VAL A 85 2.208 -18.204 -11.552 1.00 0.00 N ATOM 945 CA VAL A 85 3.623 -17.788 -11.532 1.00 0.00 C ATOM 946 C VAL A 85 3.780 -16.455 -12.285 1.00 0.00 C ATOM 947 O VAL A 85 3.218 -16.264 -13.375 1.00 0.00 O ATOM 948 CB VAL A 85 4.595 -18.884 -12.120 1.00 0.00 C ATOM 949 CG1 VAL A 85 4.211 -19.291 -13.548 1.00 0.00 C ATOM 950 CG2 VAL A 85 6.085 -18.431 -12.052 1.00 0.00 C ATOM 0 H VAL A 85 1.924 -18.664 -12.417 1.00 0.00 H new ATOM 0 HA VAL A 85 3.911 -17.657 -10.489 1.00 0.00 H new ATOM 0 HB VAL A 85 4.485 -19.766 -11.489 1.00 0.00 H new ATOM 0 HG11 VAL A 85 4.908 -20.047 -13.911 1.00 0.00 H new ATOM 0 HG12 VAL A 85 3.200 -19.698 -13.551 1.00 0.00 H new ATOM 0 HG13 VAL A 85 4.252 -18.418 -14.199 1.00 0.00 H new ATOM 0 HG21 VAL A 85 6.722 -19.212 -12.466 1.00 0.00 H new ATOM 0 HG22 VAL A 85 6.213 -17.515 -12.628 1.00 0.00 H new ATOM 0 HG23 VAL A 85 6.363 -18.249 -11.014 1.00 0.00 H new ATOM 960 N ALA A 86 4.539 -15.536 -11.676 1.00 0.00 N ATOM 961 CA ALA A 86 4.828 -14.218 -12.225 1.00 0.00 C ATOM 962 C ALA A 86 6.279 -13.860 -11.929 1.00 0.00 C ATOM 963 O ALA A 86 6.703 -13.923 -10.767 1.00 0.00 O ATOM 964 CB ALA A 86 3.886 -13.166 -11.621 1.00 0.00 C ATOM 0 H ALA A 86 4.976 -15.697 -10.769 1.00 0.00 H new ATOM 0 HA ALA A 86 4.671 -14.235 -13.303 1.00 0.00 H new ATOM 0 HB1 ALA A 86 4.116 -12.187 -12.042 1.00 0.00 H new ATOM 0 HB2 ALA A 86 2.853 -13.427 -11.852 1.00 0.00 H new ATOM 0 HB3 ALA A 86 4.020 -13.136 -10.540 1.00 0.00 H new ATOM 970 N ASP A 87 7.047 -13.503 -12.972 1.00 0.00 N ATOM 971 CA ASP A 87 8.427 -13.030 -12.795 1.00 0.00 C ATOM 972 C ASP A 87 8.424 -11.582 -12.302 1.00 0.00 C ATOM 973 O ASP A 87 7.576 -10.794 -12.696 1.00 0.00 O ATOM 974 CB ASP A 87 9.310 -13.216 -14.074 1.00 0.00 C ATOM 975 CG ASP A 87 8.655 -12.940 -15.436 1.00 0.00 C ATOM 976 OD1 ASP A 87 7.766 -12.078 -15.537 1.00 0.00 O ATOM 977 OD2 ASP A 87 9.055 -13.605 -16.426 1.00 0.00 O ATOM 0 H ASP A 87 6.735 -13.533 -13.943 1.00 0.00 H new ATOM 0 HA ASP A 87 8.893 -13.656 -12.034 1.00 0.00 H new ATOM 0 HB2 ASP A 87 10.179 -12.564 -13.980 1.00 0.00 H new ATOM 0 HB3 ASP A 87 9.680 -14.241 -14.081 1.00 0.00 H new ATOM 982 N VAL A 88 9.389 -11.253 -11.436 1.00 0.00 N ATOM 983 CA VAL A 88 9.429 -9.980 -10.694 1.00 0.00 C ATOM 984 C VAL A 88 10.625 -9.133 -11.155 1.00 0.00 C ATOM 985 O VAL A 88 11.713 -9.659 -11.439 1.00 0.00 O ATOM 986 CB VAL A 88 9.473 -10.228 -9.135 1.00 0.00 C ATOM 987 CG1 VAL A 88 8.138 -10.840 -8.642 1.00 0.00 C ATOM 988 CG2 VAL A 88 10.673 -11.119 -8.722 1.00 0.00 C ATOM 0 H VAL A 88 10.175 -11.868 -11.226 1.00 0.00 H new ATOM 0 HA VAL A 88 8.514 -9.429 -10.910 1.00 0.00 H new ATOM 0 HB VAL A 88 9.611 -9.259 -8.655 1.00 0.00 H new ATOM 0 HG11 VAL A 88 8.188 -11.003 -7.565 1.00 0.00 H new ATOM 0 HG12 VAL A 88 7.319 -10.157 -8.867 1.00 0.00 H new ATOM 0 HG13 VAL A 88 7.966 -11.791 -9.146 1.00 0.00 H new ATOM 0 HG21 VAL A 88 10.664 -11.263 -7.642 1.00 0.00 H new ATOM 0 HG22 VAL A 88 10.596 -12.086 -9.218 1.00 0.00 H new ATOM 0 HG23 VAL A 88 11.604 -10.634 -9.016 1.00 0.00 H new ATOM 998 N TYR A 89 10.393 -7.808 -11.227 1.00 0.00 N ATOM 999 CA TYR A 89 11.297 -6.838 -11.867 1.00 0.00 C ATOM 1000 C TYR A 89 11.675 -5.718 -10.889 1.00 0.00 C ATOM 1001 O TYR A 89 10.998 -5.490 -9.872 1.00 0.00 O ATOM 1002 CB TYR A 89 10.618 -6.218 -13.121 1.00 0.00 C ATOM 1003 CG TYR A 89 10.228 -7.231 -14.208 1.00 0.00 C ATOM 1004 CD1 TYR A 89 9.067 -8.000 -14.097 1.00 0.00 C ATOM 1005 CD2 TYR A 89 11.020 -7.420 -15.344 1.00 0.00 C ATOM 1006 CE1 TYR A 89 8.722 -8.921 -15.068 1.00 0.00 C ATOM 1007 CE2 TYR A 89 10.669 -8.334 -16.320 1.00 0.00 C ATOM 1008 CZ TYR A 89 9.524 -9.086 -16.173 1.00 0.00 C ATOM 1009 OH TYR A 89 9.182 -10.013 -17.136 1.00 0.00 O ATOM 0 H TYR A 89 9.557 -7.376 -10.834 1.00 0.00 H new ATOM 0 HA TYR A 89 12.202 -7.367 -12.166 1.00 0.00 H new ATOM 0 HB2 TYR A 89 9.723 -5.682 -12.805 1.00 0.00 H new ATOM 0 HB3 TYR A 89 11.293 -5.481 -13.556 1.00 0.00 H new ATOM 0 HD1 TYR A 89 8.427 -7.872 -13.236 1.00 0.00 H new ATOM 0 HD2 TYR A 89 11.924 -6.841 -15.462 1.00 0.00 H new ATOM 0 HE1 TYR A 89 7.824 -9.510 -14.959 1.00 0.00 H new ATOM 0 HE2 TYR A 89 11.290 -8.458 -17.195 1.00 0.00 H new ATOM 0 HH TYR A 89 8.612 -10.704 -16.738 1.00 0.00 H new ATOM 1019 N LYS A 90 12.772 -5.031 -11.233 1.00 0.00 N ATOM 1020 CA LYS A 90 13.285 -3.856 -10.515 1.00 0.00 C ATOM 1021 C LYS A 90 12.705 -2.574 -11.137 1.00 0.00 C ATOM 1022 O LYS A 90 12.154 -2.595 -12.255 1.00 0.00 O ATOM 1023 CB LYS A 90 14.843 -3.838 -10.600 1.00 0.00 C ATOM 1024 CG LYS A 90 15.545 -5.105 -10.036 1.00 0.00 C ATOM 1025 CD LYS A 90 15.482 -5.206 -8.494 1.00 0.00 C ATOM 1026 CE LYS A 90 16.373 -4.167 -7.795 1.00 0.00 C ATOM 1027 NZ LYS A 90 16.267 -4.262 -6.323 1.00 0.00 N ATOM 0 H LYS A 90 13.343 -5.283 -12.040 1.00 0.00 H new ATOM 0 HA LYS A 90 12.984 -3.906 -9.469 1.00 0.00 H new ATOM 0 HB2 LYS A 90 15.134 -3.714 -11.643 1.00 0.00 H new ATOM 0 HB3 LYS A 90 15.212 -2.966 -10.060 1.00 0.00 H new ATOM 0 HG2 LYS A 90 15.082 -5.991 -10.470 1.00 0.00 H new ATOM 0 HG3 LYS A 90 16.589 -5.104 -10.350 1.00 0.00 H new ATOM 0 HD2 LYS A 90 14.451 -5.073 -8.167 1.00 0.00 H new ATOM 0 HD3 LYS A 90 15.787 -6.206 -8.187 1.00 0.00 H new ATOM 0 HE2 LYS A 90 17.410 -4.315 -8.096 1.00 0.00 H new ATOM 0 HE3 LYS A 90 16.087 -3.166 -8.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 16.881 -3.547 -5.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 15.282 -4.097 -6.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 16.564 -5.210 -6.014 1.00 0.00 H new ATOM 1041 N ALA A 91 12.833 -1.460 -10.404 1.00 0.00 N ATOM 1042 CA ALA A 91 12.465 -0.125 -10.895 1.00 0.00 C ATOM 1043 C ALA A 91 13.757 0.661 -11.218 1.00 0.00 C ATOM 1044 O ALA A 91 14.256 1.410 -10.344 1.00 0.00 O ATOM 1045 CB ALA A 91 11.570 0.599 -9.866 1.00 0.00 C ATOM 1046 OXT ALA A 91 14.298 0.492 -12.335 1.00 0.00 O ATOM 0 H ALA A 91 13.196 -1.459 -9.451 1.00 0.00 H new ATOM 0 HA ALA A 91 11.879 -0.204 -11.811 1.00 0.00 H new ATOM 0 HB1 ALA A 91 11.306 1.587 -10.244 1.00 0.00 H new ATOM 0 HB2 ALA A 91 10.662 0.019 -9.702 1.00 0.00 H new ATOM 0 HB3 ALA A 91 12.109 0.704 -8.925 1.00 0.00 H new