USER MOD reduce.3.24.130724 H: found=0, std=0, add=604, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 602 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 1 LYS N :NH3+ -149:sc= -0.0742 (180deg=-0.523) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot 180:sc= -1.16 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc=-0.00651 K(o=-0.0065,f=-1.1) USER MOD Single : A 22 GLN : amide:sc= 0 K(o=0,f=-0.98) USER MOD Single : A 24 SER OG : rot -41:sc= 0.202 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.571 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -2.72 K(o=-2.7,f=-5.9!) USER MOD Single : A 62 SER OG : rot 180:sc= 0.0776 USER MOD Single : A 67 GLN : amide:sc= -0.294 X(o=-0.29,f=-0.028) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= -0.132 X(o=-0.13,f=-0.52) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 14.985 -3.605 -5.466 1.00 0.00 N ATOM 2 CA LYS A 1 13.542 -3.458 -5.385 1.00 0.00 C ATOM 3 C LYS A 1 12.873 -4.627 -6.111 1.00 0.00 C ATOM 4 O LYS A 1 12.166 -4.428 -7.097 1.00 0.00 O ATOM 5 CB LYS A 1 13.113 -2.085 -5.906 1.00 0.00 C ATOM 6 CG LYS A 1 12.891 -1.106 -4.752 1.00 0.00 C ATOM 7 CD LYS A 1 14.224 -0.596 -4.201 1.00 0.00 C ATOM 8 CE LYS A 1 14.437 -1.065 -2.760 1.00 0.00 C ATOM 9 NZ LYS A 1 15.115 -0.014 -1.968 1.00 0.00 N ATOM 0 H1 LYS A 1 15.424 -3.195 -4.617 1.00 0.00 H new ATOM 0 H2 LYS A 1 15.228 -4.614 -5.529 1.00 0.00 H new ATOM 0 H3 LYS A 1 15.337 -3.111 -6.310 1.00 0.00 H new ATOM 0 HA LYS A 1 13.213 -3.496 -4.346 1.00 0.00 H new ATOM 0 HB2 LYS A 1 13.876 -1.693 -6.579 1.00 0.00 H new ATOM 0 HB3 LYS A 1 12.196 -2.183 -6.486 1.00 0.00 H new ATOM 0 HG2 LYS A 1 12.289 -0.264 -5.095 1.00 0.00 H new ATOM 0 HG3 LYS A 1 12.329 -1.597 -3.957 1.00 0.00 H new ATOM 0 HD2 LYS A 1 15.041 -0.953 -4.828 1.00 0.00 H new ATOM 0 HD3 LYS A 1 14.245 0.493 -4.240 1.00 0.00 H new ATOM 0 HE2 LYS A 1 13.477 -1.309 -2.305 1.00 0.00 H new ATOM 0 HE3 LYS A 1 15.034 -1.977 -2.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 15.252 -0.348 -0.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 16.039 0.200 -2.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 14.531 0.846 -1.960 1.00 0.00 H new ATOM 23 N SER A 2 13.121 -5.822 -5.594 1.00 0.00 N ATOM 24 CA SER A 2 12.551 -7.023 -6.180 1.00 0.00 C ATOM 25 C SER A 2 11.099 -7.189 -5.727 1.00 0.00 C ATOM 26 O SER A 2 10.653 -6.512 -4.802 1.00 0.00 O ATOM 27 CB SER A 2 13.369 -8.261 -5.804 1.00 0.00 C ATOM 28 OG SER A 2 14.177 -8.716 -6.886 1.00 0.00 O ATOM 0 H SER A 2 13.709 -5.984 -4.776 1.00 0.00 H new ATOM 0 HA SER A 2 12.577 -6.919 -7.265 1.00 0.00 H new ATOM 0 HB2 SER A 2 14.005 -8.030 -4.949 1.00 0.00 H new ATOM 0 HB3 SER A 2 12.696 -9.060 -5.494 1.00 0.00 H new ATOM 0 HG SER A 2 14.685 -9.506 -6.606 1.00 0.00 H new ATOM 34 N PRO A 3 10.384 -8.118 -6.417 1.00 0.00 N ATOM 35 CA PRO A 3 8.992 -8.381 -6.095 1.00 0.00 C ATOM 36 C PRO A 3 8.872 -9.196 -4.806 1.00 0.00 C ATOM 37 O PRO A 3 7.964 -8.972 -4.008 1.00 0.00 O ATOM 38 CB PRO A 3 8.438 -9.106 -7.310 1.00 0.00 C ATOM 39 CG PRO A 3 9.645 -9.633 -8.069 1.00 0.00 C ATOM 40 CD PRO A 3 10.880 -8.938 -7.518 1.00 0.00 C ATOM 0 HA PRO A 3 8.426 -7.470 -5.899 1.00 0.00 H new ATOM 0 HB2 PRO A 3 7.779 -9.921 -7.011 1.00 0.00 H new ATOM 0 HB3 PRO A 3 7.850 -8.432 -7.932 1.00 0.00 H new ATOM 0 HG2 PRO A 3 9.729 -10.713 -7.950 1.00 0.00 H new ATOM 0 HG3 PRO A 3 9.541 -9.437 -9.136 1.00 0.00 H new ATOM 0 HD2 PRO A 3 11.619 -9.660 -7.172 1.00 0.00 H new ATOM 0 HD3 PRO A 3 11.364 -8.327 -8.280 1.00 0.00 H new ATOM 48 N GLU A 4 9.802 -10.126 -4.643 1.00 0.00 N ATOM 49 CA GLU A 4 9.812 -10.976 -3.465 1.00 0.00 C ATOM 50 C GLU A 4 9.889 -10.124 -2.196 1.00 0.00 C ATOM 51 O GLU A 4 9.114 -10.323 -1.262 1.00 0.00 O ATOM 52 CB GLU A 4 10.966 -11.979 -3.522 1.00 0.00 C ATOM 53 CG GLU A 4 10.441 -13.410 -3.654 1.00 0.00 C ATOM 54 CD GLU A 4 10.030 -13.972 -2.292 1.00 0.00 C ATOM 55 OE1 GLU A 4 10.944 -14.180 -1.464 1.00 0.00 O ATOM 56 OE2 GLU A 4 8.811 -14.181 -2.109 1.00 0.00 O ATOM 0 H GLU A 4 10.554 -10.309 -5.307 1.00 0.00 H new ATOM 0 HA GLU A 4 8.882 -11.543 -3.443 1.00 0.00 H new ATOM 0 HB2 GLU A 4 11.614 -11.746 -4.367 1.00 0.00 H new ATOM 0 HB3 GLU A 4 11.573 -11.892 -2.621 1.00 0.00 H new ATOM 0 HG2 GLU A 4 9.587 -13.427 -4.331 1.00 0.00 H new ATOM 0 HG3 GLU A 4 11.210 -14.044 -4.096 1.00 0.00 H new ATOM 63 N GLU A 5 10.831 -9.192 -2.204 1.00 0.00 N ATOM 64 CA GLU A 5 11.019 -8.308 -1.066 1.00 0.00 C ATOM 65 C GLU A 5 9.753 -7.486 -0.817 1.00 0.00 C ATOM 66 O GLU A 5 9.221 -7.479 0.292 1.00 0.00 O ATOM 67 CB GLU A 5 12.232 -7.399 -1.272 1.00 0.00 C ATOM 68 CG GLU A 5 13.466 -7.962 -0.566 1.00 0.00 C ATOM 69 CD GLU A 5 14.176 -6.877 0.247 1.00 0.00 C ATOM 70 OE1 GLU A 5 14.409 -5.795 -0.334 1.00 0.00 O ATOM 71 OE2 GLU A 5 14.470 -7.155 1.429 1.00 0.00 O ATOM 0 H GLU A 5 11.472 -9.030 -2.981 1.00 0.00 H new ATOM 0 HA GLU A 5 11.211 -8.919 -0.184 1.00 0.00 H new ATOM 0 HB2 GLU A 5 12.435 -7.294 -2.338 1.00 0.00 H new ATOM 0 HB3 GLU A 5 12.013 -6.402 -0.889 1.00 0.00 H new ATOM 0 HG2 GLU A 5 13.172 -8.780 0.092 1.00 0.00 H new ATOM 0 HG3 GLU A 5 14.153 -8.377 -1.303 1.00 0.00 H new ATOM 78 N LEU A 6 9.307 -6.813 -1.867 1.00 0.00 N ATOM 79 CA LEU A 6 8.113 -5.989 -1.776 1.00 0.00 C ATOM 80 C LEU A 6 6.978 -6.810 -1.162 1.00 0.00 C ATOM 81 O LEU A 6 6.353 -6.383 -0.193 1.00 0.00 O ATOM 82 CB LEU A 6 7.770 -5.391 -3.142 1.00 0.00 C ATOM 83 CG LEU A 6 8.407 -4.037 -3.461 1.00 0.00 C ATOM 84 CD1 LEU A 6 8.273 -3.704 -4.948 1.00 0.00 C ATOM 85 CD2 LEU A 6 7.825 -2.935 -2.572 1.00 0.00 C ATOM 0 H LEU A 6 9.751 -6.821 -2.785 1.00 0.00 H new ATOM 0 HA LEU A 6 8.286 -5.139 -1.116 1.00 0.00 H new ATOM 0 HB2 LEU A 6 8.069 -6.101 -3.913 1.00 0.00 H new ATOM 0 HB3 LEU A 6 6.687 -5.285 -3.209 1.00 0.00 H new ATOM 0 HG LEU A 6 9.473 -4.100 -3.241 1.00 0.00 H new ATOM 0 HD11 LEU A 6 8.734 -2.737 -5.147 1.00 0.00 H new ATOM 0 HD12 LEU A 6 8.771 -4.472 -5.539 1.00 0.00 H new ATOM 0 HD13 LEU A 6 7.218 -3.666 -5.219 1.00 0.00 H new ATOM 0 HD21 LEU A 6 8.294 -1.983 -2.819 1.00 0.00 H new ATOM 0 HD22 LEU A 6 6.750 -2.863 -2.738 1.00 0.00 H new ATOM 0 HD23 LEU A 6 8.016 -3.173 -1.526 1.00 0.00 H new ATOM 97 N LYS A 7 6.746 -7.974 -1.751 1.00 0.00 N ATOM 98 CA LYS A 7 5.697 -8.858 -1.273 1.00 0.00 C ATOM 99 C LYS A 7 5.883 -9.100 0.226 1.00 0.00 C ATOM 100 O LYS A 7 5.028 -8.730 1.029 1.00 0.00 O ATOM 101 CB LYS A 7 5.660 -10.143 -2.103 1.00 0.00 C ATOM 102 CG LYS A 7 4.227 -10.655 -2.257 1.00 0.00 C ATOM 103 CD LYS A 7 4.209 -12.158 -2.545 1.00 0.00 C ATOM 104 CE LYS A 7 3.411 -12.464 -3.814 1.00 0.00 C ATOM 105 NZ LYS A 7 4.284 -12.392 -5.006 1.00 0.00 N ATOM 0 H LYS A 7 7.267 -8.325 -2.555 1.00 0.00 H new ATOM 0 HA LYS A 7 4.719 -8.393 -1.402 1.00 0.00 H new ATOM 0 HB2 LYS A 7 6.091 -9.957 -3.087 1.00 0.00 H new ATOM 0 HB3 LYS A 7 6.273 -10.907 -1.625 1.00 0.00 H new ATOM 0 HG2 LYS A 7 3.664 -10.449 -1.347 1.00 0.00 H new ATOM 0 HG3 LYS A 7 3.731 -10.120 -3.067 1.00 0.00 H new ATOM 0 HD2 LYS A 7 5.230 -12.523 -2.657 1.00 0.00 H new ATOM 0 HD3 LYS A 7 3.772 -12.689 -1.699 1.00 0.00 H new ATOM 0 HE2 LYS A 7 2.967 -13.457 -3.741 1.00 0.00 H new ATOM 0 HE3 LYS A 7 2.590 -11.754 -3.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 3.726 -12.602 -5.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 4.688 -11.437 -5.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 5.053 -13.086 -4.916 1.00 0.00 H new ATOM 119 N GLY A 8 7.006 -9.720 0.558 1.00 0.00 N ATOM 120 CA GLY A 8 7.315 -10.016 1.947 1.00 0.00 C ATOM 121 C GLY A 8 7.189 -8.762 2.815 1.00 0.00 C ATOM 122 O GLY A 8 6.494 -8.773 3.830 1.00 0.00 O ATOM 0 H GLY A 8 7.713 -10.026 -0.111 1.00 0.00 H new ATOM 0 HA2 GLY A 8 6.640 -10.788 2.317 1.00 0.00 H new ATOM 0 HA3 GLY A 8 8.327 -10.414 2.021 1.00 0.00 H new ATOM 126 N ILE A 9 7.873 -7.712 2.385 1.00 0.00 N ATOM 127 CA ILE A 9 7.847 -6.454 3.111 1.00 0.00 C ATOM 128 C ILE A 9 6.395 -6.010 3.300 1.00 0.00 C ATOM 129 O ILE A 9 5.969 -5.730 4.420 1.00 0.00 O ATOM 130 CB ILE A 9 8.721 -5.413 2.409 1.00 0.00 C ATOM 131 CG1 ILE A 9 10.195 -5.597 2.777 1.00 0.00 C ATOM 132 CG2 ILE A 9 8.230 -3.994 2.706 1.00 0.00 C ATOM 133 CD1 ILE A 9 11.091 -4.704 1.917 1.00 0.00 C ATOM 0 H ILE A 9 8.449 -7.707 1.543 1.00 0.00 H new ATOM 0 HA ILE A 9 8.275 -6.579 4.105 1.00 0.00 H new ATOM 0 HB ILE A 9 8.635 -5.565 1.333 1.00 0.00 H new ATOM 0 HG12 ILE A 9 10.343 -5.359 3.830 1.00 0.00 H new ATOM 0 HG13 ILE A 9 10.479 -6.641 2.643 1.00 0.00 H new ATOM 0 HG21 ILE A 9 8.869 -3.274 2.195 1.00 0.00 H new ATOM 0 HG22 ILE A 9 7.204 -3.883 2.355 1.00 0.00 H new ATOM 0 HG23 ILE A 9 8.267 -3.814 3.780 1.00 0.00 H new ATOM 0 HD11 ILE A 9 12.133 -4.854 2.199 1.00 0.00 H new ATOM 0 HD12 ILE A 9 10.959 -4.961 0.866 1.00 0.00 H new ATOM 0 HD13 ILE A 9 10.820 -3.660 2.072 1.00 0.00 H new ATOM 145 N PHE A 10 5.675 -5.959 2.189 1.00 0.00 N ATOM 146 CA PHE A 10 4.280 -5.553 2.219 1.00 0.00 C ATOM 147 C PHE A 10 3.504 -6.337 3.280 1.00 0.00 C ATOM 148 O PHE A 10 2.822 -5.747 4.117 1.00 0.00 O ATOM 149 CB PHE A 10 3.694 -5.866 0.841 1.00 0.00 C ATOM 150 CG PHE A 10 2.172 -6.028 0.834 1.00 0.00 C ATOM 151 CD1 PHE A 10 1.614 -7.225 1.157 1.00 0.00 C ATOM 152 CD2 PHE A 10 1.378 -4.974 0.504 1.00 0.00 C ATOM 153 CE1 PHE A 10 0.202 -7.375 1.150 1.00 0.00 C ATOM 154 CE2 PHE A 10 -0.034 -5.124 0.498 1.00 0.00 C ATOM 155 CZ PHE A 10 -0.592 -6.321 0.821 1.00 0.00 C ATOM 0 H PHE A 10 6.031 -6.192 1.262 1.00 0.00 H new ATOM 0 HA PHE A 10 4.206 -4.493 2.462 1.00 0.00 H new ATOM 0 HB2 PHE A 10 3.967 -5.067 0.151 1.00 0.00 H new ATOM 0 HB3 PHE A 10 4.148 -6.782 0.464 1.00 0.00 H new ATOM 0 HD1 PHE A 10 2.245 -8.062 1.419 1.00 0.00 H new ATOM 0 HD2 PHE A 10 1.821 -4.023 0.247 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -0.241 -8.326 1.406 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -0.665 -4.287 0.237 1.00 0.00 H new ATOM 0 HZ PHE A 10 -1.666 -6.435 0.816 1.00 0.00 H new ATOM 165 N GLU A 11 3.634 -7.654 3.210 1.00 0.00 N ATOM 166 CA GLU A 11 2.953 -8.524 4.154 1.00 0.00 C ATOM 167 C GLU A 11 3.420 -8.227 5.580 1.00 0.00 C ATOM 168 O GLU A 11 2.602 -8.094 6.490 1.00 0.00 O ATOM 169 CB GLU A 11 3.174 -9.996 3.799 1.00 0.00 C ATOM 170 CG GLU A 11 1.846 -10.755 3.758 1.00 0.00 C ATOM 171 CD GLU A 11 1.876 -11.965 4.694 1.00 0.00 C ATOM 172 OE1 GLU A 11 2.541 -11.851 5.747 1.00 0.00 O ATOM 173 OE2 GLU A 11 1.235 -12.976 4.336 1.00 0.00 O ATOM 0 H GLU A 11 4.201 -8.139 2.514 1.00 0.00 H new ATOM 0 HA GLU A 11 1.883 -8.327 4.095 1.00 0.00 H new ATOM 0 HB2 GLU A 11 3.669 -10.070 2.831 1.00 0.00 H new ATOM 0 HB3 GLU A 11 3.837 -10.455 4.532 1.00 0.00 H new ATOM 0 HG2 GLU A 11 1.033 -10.088 4.046 1.00 0.00 H new ATOM 0 HG3 GLU A 11 1.643 -11.084 2.739 1.00 0.00 H new ATOM 180 N LYS A 12 4.733 -8.133 5.732 1.00 0.00 N ATOM 181 CA LYS A 12 5.318 -7.855 7.033 1.00 0.00 C ATOM 182 C LYS A 12 4.503 -6.765 7.731 1.00 0.00 C ATOM 183 O LYS A 12 4.432 -6.728 8.958 1.00 0.00 O ATOM 184 CB LYS A 12 6.803 -7.518 6.891 1.00 0.00 C ATOM 185 CG LYS A 12 7.572 -7.879 8.164 1.00 0.00 C ATOM 186 CD LYS A 12 9.046 -7.489 8.043 1.00 0.00 C ATOM 187 CE LYS A 12 9.919 -8.358 8.952 1.00 0.00 C ATOM 188 NZ LYS A 12 10.732 -9.296 8.146 1.00 0.00 N ATOM 0 H LYS A 12 5.408 -8.244 4.976 1.00 0.00 H new ATOM 0 HA LYS A 12 5.275 -8.740 7.668 1.00 0.00 H new ATOM 0 HB2 LYS A 12 7.223 -8.059 6.043 1.00 0.00 H new ATOM 0 HB3 LYS A 12 6.920 -6.455 6.681 1.00 0.00 H new ATOM 0 HG2 LYS A 12 7.127 -7.370 9.019 1.00 0.00 H new ATOM 0 HG3 LYS A 12 7.490 -8.950 8.352 1.00 0.00 H new ATOM 0 HD2 LYS A 12 9.371 -7.598 7.008 1.00 0.00 H new ATOM 0 HD3 LYS A 12 9.171 -6.439 8.308 1.00 0.00 H new ATOM 0 HE2 LYS A 12 10.572 -7.725 9.553 1.00 0.00 H new ATOM 0 HE3 LYS A 12 9.290 -8.916 9.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 11.318 -9.878 8.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 10.104 -9.912 7.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 11.346 -8.758 7.502 1.00 0.00 H new ATOM 202 N TYR A 13 3.910 -5.902 6.918 1.00 0.00 N ATOM 203 CA TYR A 13 3.103 -4.814 7.443 1.00 0.00 C ATOM 204 C TYR A 13 1.620 -5.189 7.461 1.00 0.00 C ATOM 205 O TYR A 13 0.948 -5.028 8.478 1.00 0.00 O ATOM 206 CB TYR A 13 3.308 -3.638 6.485 1.00 0.00 C ATOM 207 CG TYR A 13 4.304 -2.592 6.988 1.00 0.00 C ATOM 208 CD1 TYR A 13 3.909 -1.655 7.921 1.00 0.00 C ATOM 209 CD2 TYR A 13 5.598 -2.585 6.508 1.00 0.00 C ATOM 210 CE1 TYR A 13 4.847 -0.670 8.395 1.00 0.00 C ATOM 211 CE2 TYR A 13 6.536 -1.600 6.981 1.00 0.00 C ATOM 212 CZ TYR A 13 6.114 -0.691 7.901 1.00 0.00 C ATOM 213 OH TYR A 13 7.000 0.239 8.348 1.00 0.00 O ATOM 0 H TYR A 13 3.973 -5.935 5.900 1.00 0.00 H new ATOM 0 HA TYR A 13 3.397 -4.577 8.466 1.00 0.00 H new ATOM 0 HB2 TYR A 13 3.653 -4.021 5.525 1.00 0.00 H new ATOM 0 HB3 TYR A 13 2.347 -3.155 6.309 1.00 0.00 H new ATOM 0 HD1 TYR A 13 2.896 -1.660 8.296 1.00 0.00 H new ATOM 0 HD2 TYR A 13 5.907 -3.318 5.778 1.00 0.00 H new ATOM 0 HE1 TYR A 13 4.551 0.068 9.126 1.00 0.00 H new ATOM 0 HE2 TYR A 13 7.551 -1.583 6.614 1.00 0.00 H new ATOM 0 HH TYR A 13 7.866 0.103 7.910 1.00 0.00 H new ATOM 223 N ALA A 14 1.154 -5.683 6.323 1.00 0.00 N ATOM 224 CA ALA A 14 -0.237 -6.083 6.196 1.00 0.00 C ATOM 225 C ALA A 14 -0.582 -7.076 7.308 1.00 0.00 C ATOM 226 O ALA A 14 -1.746 -7.217 7.679 1.00 0.00 O ATOM 227 CB ALA A 14 -0.475 -6.665 4.801 1.00 0.00 C ATOM 0 H ALA A 14 1.715 -5.815 5.481 1.00 0.00 H new ATOM 0 HA ALA A 14 -0.896 -5.222 6.307 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -1.518 -6.965 4.705 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -0.244 -5.912 4.048 1.00 0.00 H new ATOM 0 HB3 ALA A 14 0.167 -7.533 4.655 1.00 0.00 H new ATOM 233 N ALA A 15 0.451 -7.737 7.808 1.00 0.00 N ATOM 234 CA ALA A 15 0.272 -8.712 8.871 1.00 0.00 C ATOM 235 C ALA A 15 0.020 -7.981 10.191 1.00 0.00 C ATOM 236 O ALA A 15 -0.765 -8.440 11.019 1.00 0.00 O ATOM 237 CB ALA A 15 1.495 -9.628 8.935 1.00 0.00 C ATOM 0 H ALA A 15 1.415 -7.617 7.497 1.00 0.00 H new ATOM 0 HA ALA A 15 -0.596 -9.341 8.673 1.00 0.00 H new ATOM 0 HB1 ALA A 15 1.361 -10.359 9.732 1.00 0.00 H new ATOM 0 HB2 ALA A 15 1.612 -10.146 7.983 1.00 0.00 H new ATOM 0 HB3 ALA A 15 2.386 -9.032 9.135 1.00 0.00 H new ATOM 243 N LYS A 16 0.702 -6.855 10.346 1.00 0.00 N ATOM 244 CA LYS A 16 0.563 -6.056 11.552 1.00 0.00 C ATOM 245 C LYS A 16 -0.916 -5.729 11.773 1.00 0.00 C ATOM 246 O LYS A 16 -1.494 -6.111 12.789 1.00 0.00 O ATOM 247 CB LYS A 16 1.462 -4.821 11.483 1.00 0.00 C ATOM 248 CG LYS A 16 2.694 -4.989 12.375 1.00 0.00 C ATOM 249 CD LYS A 16 3.614 -3.770 12.275 1.00 0.00 C ATOM 250 CE LYS A 16 4.252 -3.453 13.629 1.00 0.00 C ATOM 251 NZ LYS A 16 4.997 -2.175 13.564 1.00 0.00 N ATOM 0 H LYS A 16 1.352 -6.477 9.657 1.00 0.00 H new ATOM 0 HA LYS A 16 0.900 -6.618 12.423 1.00 0.00 H new ATOM 0 HB2 LYS A 16 1.775 -4.652 10.453 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.901 -3.940 11.794 1.00 0.00 H new ATOM 0 HG2 LYS A 16 2.382 -5.129 13.410 1.00 0.00 H new ATOM 0 HG3 LYS A 16 3.240 -5.886 12.082 1.00 0.00 H new ATOM 0 HD2 LYS A 16 4.393 -3.958 11.537 1.00 0.00 H new ATOM 0 HD3 LYS A 16 3.045 -2.908 11.926 1.00 0.00 H new ATOM 0 HE2 LYS A 16 3.480 -3.392 14.396 1.00 0.00 H new ATOM 0 HE3 LYS A 16 4.926 -4.259 13.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 5.424 -1.974 14.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 5.746 -2.246 12.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 4.345 -1.406 13.309 1.00 0.00 H new ATOM 265 N GLU A 17 -1.484 -5.024 10.806 1.00 0.00 N ATOM 266 CA GLU A 17 -2.884 -4.641 10.883 1.00 0.00 C ATOM 267 C GLU A 17 -3.716 -5.473 9.905 1.00 0.00 C ATOM 268 O GLU A 17 -3.378 -5.573 8.726 1.00 0.00 O ATOM 269 CB GLU A 17 -3.058 -3.145 10.617 1.00 0.00 C ATOM 270 CG GLU A 17 -2.232 -2.313 11.600 1.00 0.00 C ATOM 271 CD GLU A 17 -3.001 -1.068 12.046 1.00 0.00 C ATOM 272 OE1 GLU A 17 -4.149 -1.245 12.509 1.00 0.00 O ATOM 273 OE2 GLU A 17 -2.425 0.033 11.914 1.00 0.00 O ATOM 0 H GLU A 17 -1.001 -4.708 9.965 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.241 -4.840 11.894 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -2.753 -2.916 9.596 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -4.111 -2.877 10.703 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.977 -2.918 12.470 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -1.293 -2.017 11.132 1.00 0.00 H new ATOM 280 N GLY A 18 -4.788 -6.047 10.429 1.00 0.00 N ATOM 281 CA GLY A 18 -5.671 -6.867 9.617 1.00 0.00 C ATOM 282 C GLY A 18 -4.889 -7.965 8.894 1.00 0.00 C ATOM 283 O GLY A 18 -3.667 -8.041 9.010 1.00 0.00 O ATOM 0 H GLY A 18 -5.066 -5.961 11.407 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -6.438 -7.317 10.248 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -6.185 -6.241 8.887 1.00 0.00 H new ATOM 287 N ASP A 19 -5.626 -8.789 8.163 1.00 0.00 N ATOM 288 CA ASP A 19 -5.017 -9.879 7.421 1.00 0.00 C ATOM 289 C ASP A 19 -3.797 -9.355 6.661 1.00 0.00 C ATOM 290 O ASP A 19 -3.619 -8.145 6.526 1.00 0.00 O ATOM 291 CB ASP A 19 -5.995 -10.465 6.400 1.00 0.00 C ATOM 292 CG ASP A 19 -6.248 -11.967 6.535 1.00 0.00 C ATOM 293 OD1 ASP A 19 -6.102 -12.468 7.671 1.00 0.00 O ATOM 294 OD2 ASP A 19 -6.582 -12.582 5.499 1.00 0.00 O ATOM 0 H ASP A 19 -6.640 -8.723 8.069 1.00 0.00 H new ATOM 0 HA ASP A 19 -4.732 -10.653 8.133 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -6.947 -9.942 6.490 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -5.614 -10.265 5.398 1.00 0.00 H new ATOM 299 N PRO A 20 -2.968 -10.315 6.173 1.00 0.00 N ATOM 300 CA PRO A 20 -1.770 -9.963 5.430 1.00 0.00 C ATOM 301 C PRO A 20 -2.120 -9.496 4.015 1.00 0.00 C ATOM 302 O PRO A 20 -1.259 -8.998 3.291 1.00 0.00 O ATOM 303 CB PRO A 20 -0.913 -11.218 5.446 1.00 0.00 C ATOM 304 CG PRO A 20 -1.854 -12.360 5.792 1.00 0.00 C ATOM 305 CD PRO A 20 -3.148 -11.757 6.314 1.00 0.00 C ATOM 0 HA PRO A 20 -1.232 -9.124 5.872 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -0.441 -11.381 4.477 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -0.112 -11.135 6.181 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -2.047 -12.975 4.913 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -1.405 -13.010 6.543 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -4.007 -12.107 5.742 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -3.323 -12.034 7.353 1.00 0.00 H new ATOM 313 N ASN A 21 -3.385 -9.674 3.664 1.00 0.00 N ATOM 314 CA ASN A 21 -3.859 -9.277 2.349 1.00 0.00 C ATOM 315 C ASN A 21 -4.638 -7.966 2.466 1.00 0.00 C ATOM 316 O ASN A 21 -5.370 -7.590 1.552 1.00 0.00 O ATOM 317 CB ASN A 21 -4.796 -10.333 1.759 1.00 0.00 C ATOM 318 CG ASN A 21 -4.032 -11.612 1.412 1.00 0.00 C ATOM 319 OD1 ASN A 21 -2.836 -11.605 1.168 1.00 0.00 O ATOM 320 ND2 ASN A 21 -4.786 -12.707 1.402 1.00 0.00 N ATOM 0 H ASN A 21 -4.096 -10.088 4.267 1.00 0.00 H new ATOM 0 HA ASN A 21 -2.992 -9.161 1.699 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -5.588 -10.561 2.472 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -5.277 -9.938 0.864 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -4.369 -13.611 1.181 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -5.781 -12.643 1.616 1.00 0.00 H new ATOM 327 N GLN A 22 -4.456 -7.306 3.601 1.00 0.00 N ATOM 328 CA GLN A 22 -5.133 -6.045 3.850 1.00 0.00 C ATOM 329 C GLN A 22 -4.146 -5.012 4.399 1.00 0.00 C ATOM 330 O GLN A 22 -3.325 -5.329 5.259 1.00 0.00 O ATOM 331 CB GLN A 22 -6.314 -6.236 4.803 1.00 0.00 C ATOM 332 CG GLN A 22 -7.525 -6.813 4.066 1.00 0.00 C ATOM 333 CD GLN A 22 -8.649 -7.159 5.046 1.00 0.00 C ATOM 334 OE1 GLN A 22 -8.509 -7.054 6.253 1.00 0.00 O ATOM 335 NE2 GLN A 22 -9.767 -7.576 4.460 1.00 0.00 N ATOM 0 H GLN A 22 -3.849 -7.621 4.358 1.00 0.00 H new ATOM 0 HA GLN A 22 -5.528 -5.674 2.904 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -6.026 -6.903 5.615 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -6.580 -5.280 5.255 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -7.886 -6.092 3.332 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -7.229 -7.706 3.516 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -9.816 -7.641 3.443 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -10.575 -7.831 5.027 1.00 0.00 H new ATOM 344 N LEU A 23 -4.260 -3.798 3.881 1.00 0.00 N ATOM 345 CA LEU A 23 -3.388 -2.717 4.309 1.00 0.00 C ATOM 346 C LEU A 23 -4.217 -1.658 5.038 1.00 0.00 C ATOM 347 O LEU A 23 -5.445 -1.667 4.966 1.00 0.00 O ATOM 348 CB LEU A 23 -2.594 -2.168 3.123 1.00 0.00 C ATOM 349 CG LEU A 23 -1.367 -2.980 2.703 1.00 0.00 C ATOM 350 CD1 LEU A 23 -0.080 -2.338 3.224 1.00 0.00 C ATOM 351 CD2 LEU A 23 -1.499 -4.439 3.143 1.00 0.00 C ATOM 0 H LEU A 23 -4.943 -3.539 3.169 1.00 0.00 H new ATOM 0 HA LEU A 23 -2.645 -3.084 5.017 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.264 -2.091 2.267 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -2.270 -1.156 3.366 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.311 -2.976 1.614 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.777 -2.935 2.911 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.013 -1.330 2.820 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -0.112 -2.291 4.313 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.614 -4.994 2.832 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.594 -4.485 4.228 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.384 -4.879 2.683 1.00 0.00 H new ATOM 363 N SER A 24 -3.513 -0.769 5.723 1.00 0.00 N ATOM 364 CA SER A 24 -4.168 0.295 6.465 1.00 0.00 C ATOM 365 C SER A 24 -3.457 1.625 6.209 1.00 0.00 C ATOM 366 O SER A 24 -2.267 1.647 5.899 1.00 0.00 O ATOM 367 CB SER A 24 -4.196 -0.014 7.963 1.00 0.00 C ATOM 368 OG SER A 24 -4.840 -1.254 8.241 1.00 0.00 O ATOM 0 H SER A 24 -2.495 -0.764 5.780 1.00 0.00 H new ATOM 0 HA SER A 24 -5.199 0.369 6.119 1.00 0.00 H new ATOM 0 HB2 SER A 24 -3.176 -0.041 8.346 1.00 0.00 H new ATOM 0 HB3 SER A 24 -4.713 0.789 8.489 1.00 0.00 H new ATOM 0 HG SER A 24 -5.631 -1.347 7.670 1.00 0.00 H new ATOM 374 N LYS A 25 -4.216 2.702 6.350 1.00 0.00 N ATOM 375 CA LYS A 25 -3.673 4.033 6.139 1.00 0.00 C ATOM 376 C LYS A 25 -2.372 4.180 6.931 1.00 0.00 C ATOM 377 O LYS A 25 -1.312 4.413 6.352 1.00 0.00 O ATOM 378 CB LYS A 25 -4.720 5.098 6.473 1.00 0.00 C ATOM 379 CG LYS A 25 -4.220 6.495 6.099 1.00 0.00 C ATOM 380 CD LYS A 25 -4.928 7.570 6.924 1.00 0.00 C ATOM 381 CE LYS A 25 -3.970 8.207 7.932 1.00 0.00 C ATOM 382 NZ LYS A 25 -4.590 9.399 8.555 1.00 0.00 N ATOM 0 H LYS A 25 -5.203 2.680 6.608 1.00 0.00 H new ATOM 0 HA LYS A 25 -3.425 4.181 5.088 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -5.645 4.884 5.938 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -4.952 5.064 7.537 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -3.144 6.556 6.263 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -4.392 6.674 5.038 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -5.327 8.338 6.261 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -5.775 7.130 7.450 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -3.708 7.482 8.702 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -3.043 8.491 7.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -3.926 9.819 9.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -4.818 10.097 7.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -5.462 9.119 9.048 1.00 0.00 H new ATOM 396 N GLU A 26 -2.495 4.037 8.242 1.00 0.00 N ATOM 397 CA GLU A 26 -1.342 4.151 9.119 1.00 0.00 C ATOM 398 C GLU A 26 -0.241 3.186 8.676 1.00 0.00 C ATOM 399 O GLU A 26 0.933 3.552 8.640 1.00 0.00 O ATOM 400 CB GLU A 26 -1.735 3.903 10.577 1.00 0.00 C ATOM 401 CG GLU A 26 -1.411 5.120 11.446 1.00 0.00 C ATOM 402 CD GLU A 26 -0.702 4.699 12.736 1.00 0.00 C ATOM 403 OE1 GLU A 26 0.379 4.083 12.614 1.00 0.00 O ATOM 404 OE2 GLU A 26 -1.258 5.001 13.813 1.00 0.00 O ATOM 0 H GLU A 26 -3.376 3.843 8.719 1.00 0.00 H new ATOM 0 HA GLU A 26 -0.956 5.168 9.049 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -2.801 3.681 10.638 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.206 3.029 10.957 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -0.779 5.812 10.889 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -2.330 5.653 11.689 1.00 0.00 H new ATOM 411 N GLU A 27 -0.659 1.972 8.350 1.00 0.00 N ATOM 412 CA GLU A 27 0.277 0.951 7.911 1.00 0.00 C ATOM 413 C GLU A 27 0.985 1.395 6.629 1.00 0.00 C ATOM 414 O GLU A 27 2.196 1.607 6.626 1.00 0.00 O ATOM 415 CB GLU A 27 -0.429 -0.391 7.711 1.00 0.00 C ATOM 416 CG GLU A 27 -0.523 -1.164 9.028 1.00 0.00 C ATOM 417 CD GLU A 27 0.233 -2.491 8.940 1.00 0.00 C ATOM 418 OE1 GLU A 27 0.967 -2.662 7.943 1.00 0.00 O ATOM 419 OE2 GLU A 27 0.059 -3.306 9.872 1.00 0.00 O ATOM 0 H GLU A 27 -1.633 1.672 8.381 1.00 0.00 H new ATOM 0 HA GLU A 27 1.028 0.816 8.689 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -1.429 -0.224 7.312 1.00 0.00 H new ATOM 0 HB3 GLU A 27 0.113 -0.985 6.975 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -0.113 -0.561 9.838 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -1.569 -1.353 9.269 1.00 0.00 H new ATOM 426 N LEU A 28 0.198 1.523 5.571 1.00 0.00 N ATOM 427 CA LEU A 28 0.733 1.938 4.286 1.00 0.00 C ATOM 428 C LEU A 28 1.678 3.124 4.491 1.00 0.00 C ATOM 429 O LEU A 28 2.781 3.145 3.947 1.00 0.00 O ATOM 430 CB LEU A 28 -0.401 2.219 3.298 1.00 0.00 C ATOM 431 CG LEU A 28 -0.037 2.125 1.815 1.00 0.00 C ATOM 432 CD1 LEU A 28 1.177 1.219 1.604 1.00 0.00 C ATOM 433 CD2 LEU A 28 -1.240 1.675 0.983 1.00 0.00 C ATOM 0 H LEU A 28 -0.807 1.346 5.578 1.00 0.00 H new ATOM 0 HA LEU A 28 1.320 1.135 3.841 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.212 1.519 3.498 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.788 3.219 3.494 1.00 0.00 H new ATOM 0 HG LEU A 28 0.241 3.120 1.468 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.414 1.170 0.541 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.031 1.622 2.148 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.952 0.218 1.972 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.954 1.616 -0.067 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.572 0.694 1.324 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -2.052 2.393 1.099 1.00 0.00 H new ATOM 445 N LYS A 29 1.210 4.083 5.277 1.00 0.00 N ATOM 446 CA LYS A 29 1.999 5.270 5.560 1.00 0.00 C ATOM 447 C LYS A 29 3.457 4.865 5.785 1.00 0.00 C ATOM 448 O LYS A 29 4.352 5.342 5.088 1.00 0.00 O ATOM 449 CB LYS A 29 1.391 6.051 6.726 1.00 0.00 C ATOM 450 CG LYS A 29 2.128 7.374 6.943 1.00 0.00 C ATOM 451 CD LYS A 29 1.179 8.450 7.476 1.00 0.00 C ATOM 452 CE LYS A 29 1.823 9.230 8.624 1.00 0.00 C ATOM 453 NZ LYS A 29 0.787 9.747 9.545 1.00 0.00 N ATOM 0 H LYS A 29 0.295 4.062 5.726 1.00 0.00 H new ATOM 0 HA LYS A 29 1.984 5.950 4.708 1.00 0.00 H new ATOM 0 HB2 LYS A 29 0.337 6.246 6.528 1.00 0.00 H new ATOM 0 HB3 LYS A 29 1.439 5.451 7.635 1.00 0.00 H new ATOM 0 HG2 LYS A 29 2.948 7.227 7.646 1.00 0.00 H new ATOM 0 HG3 LYS A 29 2.570 7.707 6.004 1.00 0.00 H new ATOM 0 HD2 LYS A 29 0.912 9.135 6.671 1.00 0.00 H new ATOM 0 HD3 LYS A 29 0.255 7.986 7.820 1.00 0.00 H new ATOM 0 HE2 LYS A 29 2.512 8.584 9.168 1.00 0.00 H new ATOM 0 HE3 LYS A 29 2.409 10.058 8.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 1.241 10.274 10.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 0.145 10.379 9.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 0.245 8.952 9.940 1.00 0.00 H new ATOM 467 N LEU A 30 3.652 3.990 6.760 1.00 0.00 N ATOM 468 CA LEU A 30 4.986 3.516 7.085 1.00 0.00 C ATOM 469 C LEU A 30 5.647 2.960 5.822 1.00 0.00 C ATOM 470 O LEU A 30 6.719 3.415 5.427 1.00 0.00 O ATOM 471 CB LEU A 30 4.933 2.516 8.242 1.00 0.00 C ATOM 472 CG LEU A 30 4.330 3.035 9.549 1.00 0.00 C ATOM 473 CD1 LEU A 30 4.726 2.143 10.728 1.00 0.00 C ATOM 474 CD2 LEU A 30 4.709 4.498 9.786 1.00 0.00 C ATOM 0 H LEU A 30 2.908 3.597 7.336 1.00 0.00 H new ATOM 0 HA LEU A 30 5.608 4.340 7.435 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.359 1.647 7.920 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.947 2.171 8.444 1.00 0.00 H new ATOM 0 HG LEU A 30 3.244 2.994 9.463 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.284 2.534 11.645 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.365 1.129 10.555 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.812 2.129 10.825 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.267 4.841 10.721 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.794 4.588 9.842 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.336 5.108 8.963 1.00 0.00 H new ATOM 486 N LEU A 31 4.980 1.984 5.225 1.00 0.00 N ATOM 487 CA LEU A 31 5.489 1.361 4.015 1.00 0.00 C ATOM 488 C LEU A 31 5.915 2.449 3.026 1.00 0.00 C ATOM 489 O LEU A 31 7.097 2.578 2.711 1.00 0.00 O ATOM 490 CB LEU A 31 4.463 0.380 3.445 1.00 0.00 C ATOM 491 CG LEU A 31 5.029 -0.782 2.625 1.00 0.00 C ATOM 492 CD1 LEU A 31 4.768 -2.120 3.319 1.00 0.00 C ATOM 493 CD2 LEU A 31 4.484 -0.761 1.196 1.00 0.00 C ATOM 0 H LEU A 31 4.091 1.609 5.556 1.00 0.00 H new ATOM 0 HA LEU A 31 6.375 0.767 4.237 1.00 0.00 H new ATOM 0 HB2 LEU A 31 3.886 -0.033 4.272 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.767 0.937 2.817 1.00 0.00 H new ATOM 0 HG LEU A 31 6.110 -0.659 2.559 1.00 0.00 H new ATOM 0 HD11 LEU A 31 5.180 -2.929 2.716 1.00 0.00 H new ATOM 0 HD12 LEU A 31 5.244 -2.120 4.300 1.00 0.00 H new ATOM 0 HD13 LEU A 31 3.694 -2.266 3.436 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.902 -1.597 0.635 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.398 -0.847 1.220 1.00 0.00 H new ATOM 0 HD23 LEU A 31 4.764 0.176 0.714 1.00 0.00 H new ATOM 505 N LEU A 32 4.928 3.203 2.565 1.00 0.00 N ATOM 506 CA LEU A 32 5.186 4.276 1.619 1.00 0.00 C ATOM 507 C LEU A 32 6.329 5.148 2.143 1.00 0.00 C ATOM 508 O LEU A 32 6.987 5.844 1.371 1.00 0.00 O ATOM 509 CB LEU A 32 3.901 5.054 1.329 1.00 0.00 C ATOM 510 CG LEU A 32 2.752 4.249 0.720 1.00 0.00 C ATOM 511 CD1 LEU A 32 1.506 5.119 0.544 1.00 0.00 C ATOM 512 CD2 LEU A 32 3.180 3.589 -0.592 1.00 0.00 C ATOM 0 H LEU A 32 3.949 3.093 2.829 1.00 0.00 H new ATOM 0 HA LEU A 32 5.509 3.870 0.660 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.552 5.500 2.260 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.141 5.875 0.653 1.00 0.00 H new ATOM 0 HG LEU A 32 2.491 3.449 1.413 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.704 4.522 0.109 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.189 5.501 1.514 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.736 5.954 -0.117 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.345 3.023 -1.004 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.484 4.357 -1.303 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.017 2.916 -0.405 1.00 0.00 H new ATOM 524 N GLN A 33 6.530 5.081 3.450 1.00 0.00 N ATOM 525 CA GLN A 33 7.582 5.856 4.086 1.00 0.00 C ATOM 526 C GLN A 33 8.955 5.291 3.716 1.00 0.00 C ATOM 527 O GLN A 33 9.797 6.003 3.170 1.00 0.00 O ATOM 528 CB GLN A 33 7.396 5.893 5.604 1.00 0.00 C ATOM 529 CG GLN A 33 7.586 7.311 6.146 1.00 0.00 C ATOM 530 CD GLN A 33 7.294 7.368 7.647 1.00 0.00 C ATOM 531 OE1 GLN A 33 8.136 7.080 8.481 1.00 0.00 O ATOM 532 NE2 GLN A 33 6.056 7.756 7.942 1.00 0.00 N ATOM 0 H GLN A 33 5.982 4.502 4.087 1.00 0.00 H new ATOM 0 HA GLN A 33 7.522 6.881 3.721 1.00 0.00 H new ATOM 0 HB2 GLN A 33 6.400 5.532 5.861 1.00 0.00 H new ATOM 0 HB3 GLN A 33 8.111 5.220 6.078 1.00 0.00 H new ATOM 0 HG2 GLN A 33 8.607 7.642 5.958 1.00 0.00 H new ATOM 0 HG3 GLN A 33 6.925 7.998 5.617 1.00 0.00 H new ATOM 0 HE21 GLN A 33 5.401 7.982 7.194 1.00 0.00 H new ATOM 0 HE22 GLN A 33 5.762 7.827 8.916 1.00 0.00 H new ATOM 541 N THR A 34 9.139 4.017 4.027 1.00 0.00 N ATOM 542 CA THR A 34 10.395 3.348 3.734 1.00 0.00 C ATOM 543 C THR A 34 10.375 2.774 2.316 1.00 0.00 C ATOM 544 O THR A 34 11.292 3.015 1.532 1.00 0.00 O ATOM 545 CB THR A 34 10.631 2.291 4.815 1.00 0.00 C ATOM 546 OG1 THR A 34 11.585 2.892 5.686 1.00 0.00 O ATOM 547 CG2 THR A 34 11.349 1.052 4.275 1.00 0.00 C ATOM 0 H THR A 34 8.439 3.429 4.479 1.00 0.00 H new ATOM 0 HA THR A 34 11.231 4.048 3.756 1.00 0.00 H new ATOM 0 HB THR A 34 9.676 1.997 5.250 1.00 0.00 H new ATOM 0 HG1 THR A 34 11.794 2.275 6.418 1.00 0.00 H new ATOM 0 HG21 THR A 34 11.492 0.334 5.082 1.00 0.00 H new ATOM 0 HG22 THR A 34 10.748 0.598 3.487 1.00 0.00 H new ATOM 0 HG23 THR A 34 12.319 1.341 3.871 1.00 0.00 H new ATOM 555 N GLU A 35 9.321 2.025 2.030 1.00 0.00 N ATOM 556 CA GLU A 35 9.170 1.414 0.720 1.00 0.00 C ATOM 557 C GLU A 35 9.432 2.445 -0.379 1.00 0.00 C ATOM 558 O GLU A 35 10.396 2.323 -1.132 1.00 0.00 O ATOM 559 CB GLU A 35 7.783 0.786 0.565 1.00 0.00 C ATOM 560 CG GLU A 35 7.576 0.259 -0.856 1.00 0.00 C ATOM 561 CD GLU A 35 6.223 0.703 -1.415 1.00 0.00 C ATOM 562 OE1 GLU A 35 5.865 1.875 -1.170 1.00 0.00 O ATOM 563 OE2 GLU A 35 5.577 -0.140 -2.074 1.00 0.00 O ATOM 0 H GLU A 35 8.563 1.827 2.683 1.00 0.00 H new ATOM 0 HA GLU A 35 9.906 0.616 0.625 1.00 0.00 H new ATOM 0 HB2 GLU A 35 7.667 -0.029 1.280 1.00 0.00 H new ATOM 0 HB3 GLU A 35 7.017 1.526 0.798 1.00 0.00 H new ATOM 0 HG2 GLU A 35 8.376 0.620 -1.502 1.00 0.00 H new ATOM 0 HG3 GLU A 35 7.634 -0.829 -0.856 1.00 0.00 H new ATOM 570 N PHE A 36 8.555 3.437 -0.437 1.00 0.00 N ATOM 571 CA PHE A 36 8.680 4.489 -1.432 1.00 0.00 C ATOM 572 C PHE A 36 8.107 5.808 -0.910 1.00 0.00 C ATOM 573 O PHE A 36 6.917 6.077 -1.067 1.00 0.00 O ATOM 574 CB PHE A 36 7.874 4.045 -2.655 1.00 0.00 C ATOM 575 CG PHE A 36 8.676 3.214 -3.659 1.00 0.00 C ATOM 576 CD1 PHE A 36 9.655 3.800 -4.399 1.00 0.00 C ATOM 577 CD2 PHE A 36 8.408 1.889 -3.812 1.00 0.00 C ATOM 578 CE1 PHE A 36 10.398 3.029 -5.331 1.00 0.00 C ATOM 579 CE2 PHE A 36 9.152 1.118 -4.745 1.00 0.00 C ATOM 580 CZ PHE A 36 10.131 1.704 -5.484 1.00 0.00 C ATOM 0 H PHE A 36 7.755 3.534 0.189 1.00 0.00 H new ATOM 0 HA PHE A 36 9.731 4.651 -1.673 1.00 0.00 H new ATOM 0 HB2 PHE A 36 7.016 3.463 -2.320 1.00 0.00 H new ATOM 0 HB3 PHE A 36 7.483 4.928 -3.160 1.00 0.00 H new ATOM 0 HD1 PHE A 36 9.867 4.852 -4.278 1.00 0.00 H new ATOM 0 HD2 PHE A 36 7.630 1.424 -3.225 1.00 0.00 H new ATOM 0 HE1 PHE A 36 11.175 3.494 -5.919 1.00 0.00 H new ATOM 0 HE2 PHE A 36 8.940 0.066 -4.867 1.00 0.00 H new ATOM 0 HZ PHE A 36 10.697 1.117 -6.193 1.00 0.00 H new ATOM 590 N PRO A 37 9.003 6.616 -0.284 1.00 0.00 N ATOM 591 CA PRO A 37 8.599 7.901 0.262 1.00 0.00 C ATOM 592 C PRO A 37 8.396 8.930 -0.852 1.00 0.00 C ATOM 593 O PRO A 37 7.717 9.937 -0.655 1.00 0.00 O ATOM 594 CB PRO A 37 9.707 8.283 1.229 1.00 0.00 C ATOM 595 CG PRO A 37 10.907 7.432 0.846 1.00 0.00 C ATOM 596 CD PRO A 37 10.420 6.330 -0.080 1.00 0.00 C ATOM 0 HA PRO A 37 7.638 7.857 0.775 1.00 0.00 H new ATOM 0 HB2 PRO A 37 9.942 9.345 1.154 1.00 0.00 H new ATOM 0 HB3 PRO A 37 9.408 8.094 2.260 1.00 0.00 H new ATOM 0 HG2 PRO A 37 11.664 8.040 0.351 1.00 0.00 H new ATOM 0 HG3 PRO A 37 11.372 7.006 1.735 1.00 0.00 H new ATOM 0 HD2 PRO A 37 10.965 6.336 -1.024 1.00 0.00 H new ATOM 0 HD3 PRO A 37 10.565 5.346 0.365 1.00 0.00 H new ATOM 604 N SER A 38 8.998 8.643 -1.997 1.00 0.00 N ATOM 605 CA SER A 38 8.891 9.531 -3.142 1.00 0.00 C ATOM 606 C SER A 38 7.472 9.483 -3.711 1.00 0.00 C ATOM 607 O SER A 38 6.987 10.469 -4.264 1.00 0.00 O ATOM 608 CB SER A 38 9.910 9.161 -4.222 1.00 0.00 C ATOM 609 OG SER A 38 10.780 10.247 -4.529 1.00 0.00 O ATOM 0 H SER A 38 9.562 7.808 -2.156 1.00 0.00 H new ATOM 0 HA SER A 38 9.107 10.546 -2.809 1.00 0.00 H new ATOM 0 HB2 SER A 38 10.500 8.308 -3.887 1.00 0.00 H new ATOM 0 HB3 SER A 38 9.385 8.851 -5.125 1.00 0.00 H new ATOM 0 HG SER A 38 11.417 9.971 -5.221 1.00 0.00 H new ATOM 615 N LEU A 39 6.846 8.325 -3.557 1.00 0.00 N ATOM 616 CA LEU A 39 5.492 8.136 -4.049 1.00 0.00 C ATOM 617 C LEU A 39 4.539 9.047 -3.273 1.00 0.00 C ATOM 618 O LEU A 39 3.466 9.393 -3.765 1.00 0.00 O ATOM 619 CB LEU A 39 5.105 6.656 -3.998 1.00 0.00 C ATOM 620 CG LEU A 39 4.834 5.987 -5.347 1.00 0.00 C ATOM 621 CD1 LEU A 39 3.418 6.295 -5.837 1.00 0.00 C ATOM 622 CD2 LEU A 39 5.895 6.380 -6.378 1.00 0.00 C ATOM 0 H LEU A 39 7.251 7.509 -3.099 1.00 0.00 H new ATOM 0 HA LEU A 39 5.425 8.424 -5.098 1.00 0.00 H new ATOM 0 HB2 LEU A 39 5.904 6.109 -3.498 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.213 6.555 -3.379 1.00 0.00 H new ATOM 0 HG LEU A 39 4.901 4.907 -5.212 1.00 0.00 H new ATOM 0 HD11 LEU A 39 3.251 5.808 -6.798 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.693 5.925 -5.112 1.00 0.00 H new ATOM 0 HD13 LEU A 39 3.299 7.372 -5.951 1.00 0.00 H new ATOM 0 HD21 LEU A 39 5.678 5.891 -7.328 1.00 0.00 H new ATOM 0 HD22 LEU A 39 5.885 7.461 -6.516 1.00 0.00 H new ATOM 0 HD23 LEU A 39 6.878 6.068 -6.025 1.00 0.00 H new ATOM 634 N LEU A 40 4.966 9.410 -2.072 1.00 0.00 N ATOM 635 CA LEU A 40 4.164 10.275 -1.223 1.00 0.00 C ATOM 636 C LEU A 40 4.236 11.709 -1.750 1.00 0.00 C ATOM 637 O LEU A 40 3.239 12.430 -1.737 1.00 0.00 O ATOM 638 CB LEU A 40 4.591 10.134 0.240 1.00 0.00 C ATOM 639 CG LEU A 40 4.409 8.749 0.862 1.00 0.00 C ATOM 640 CD1 LEU A 40 5.242 8.606 2.137 1.00 0.00 C ATOM 641 CD2 LEU A 40 2.929 8.449 1.108 1.00 0.00 C ATOM 0 H LEU A 40 5.856 9.121 -1.667 1.00 0.00 H new ATOM 0 HA LEU A 40 3.116 9.976 -1.255 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.642 10.410 0.319 1.00 0.00 H new ATOM 0 HB3 LEU A 40 4.027 10.854 0.833 1.00 0.00 H new ATOM 0 HG LEU A 40 4.775 8.006 0.154 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.094 7.612 2.559 1.00 0.00 H new ATOM 0 HD12 LEU A 40 6.297 8.746 1.900 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.930 9.358 2.862 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.827 7.458 1.551 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.515 9.194 1.787 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.389 8.481 0.162 1.00 0.00 H new ATOM 653 N LYS A 41 5.425 12.081 -2.201 1.00 0.00 N ATOM 654 CA LYS A 41 5.640 13.416 -2.731 1.00 0.00 C ATOM 655 C LYS A 41 4.789 13.604 -3.989 1.00 0.00 C ATOM 656 O LYS A 41 4.305 14.703 -4.257 1.00 0.00 O ATOM 657 CB LYS A 41 7.132 13.670 -2.955 1.00 0.00 C ATOM 658 CG LYS A 41 7.920 13.489 -1.656 1.00 0.00 C ATOM 659 CD LYS A 41 9.064 14.502 -1.563 1.00 0.00 C ATOM 660 CE LYS A 41 8.851 15.462 -0.391 1.00 0.00 C ATOM 661 NZ LYS A 41 10.123 15.686 0.333 1.00 0.00 N ATOM 0 H LYS A 41 6.250 11.481 -2.210 1.00 0.00 H new ATOM 0 HA LYS A 41 5.317 14.168 -2.011 1.00 0.00 H new ATOM 0 HB2 LYS A 41 7.511 12.985 -3.713 1.00 0.00 H new ATOM 0 HB3 LYS A 41 7.279 14.681 -3.336 1.00 0.00 H new ATOM 0 HG2 LYS A 41 7.253 13.609 -0.802 1.00 0.00 H new ATOM 0 HG3 LYS A 41 8.321 12.477 -1.608 1.00 0.00 H new ATOM 0 HD2 LYS A 41 10.011 13.976 -1.440 1.00 0.00 H new ATOM 0 HD3 LYS A 41 9.131 15.067 -2.493 1.00 0.00 H new ATOM 0 HE2 LYS A 41 8.462 16.412 -0.757 1.00 0.00 H new ATOM 0 HE3 LYS A 41 8.105 15.054 0.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 9.961 16.340 1.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 10.478 14.780 0.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 10.824 16.096 -0.316 1.00 0.00 H new ATOM 675 N GLY A 42 4.632 12.515 -4.726 1.00 0.00 N ATOM 676 CA GLY A 42 3.848 12.546 -5.949 1.00 0.00 C ATOM 677 C GLY A 42 2.518 13.270 -5.729 1.00 0.00 C ATOM 678 O GLY A 42 2.176 13.619 -4.600 1.00 0.00 O ATOM 0 H GLY A 42 5.034 11.605 -4.500 1.00 0.00 H new ATOM 0 HA2 GLY A 42 4.413 13.047 -6.735 1.00 0.00 H new ATOM 0 HA3 GLY A 42 3.660 11.528 -6.291 1.00 0.00 H new ATOM 682 N MET A 43 1.804 13.475 -6.826 1.00 0.00 N ATOM 683 CA MET A 43 0.519 14.152 -6.768 1.00 0.00 C ATOM 684 C MET A 43 -0.514 13.304 -6.023 1.00 0.00 C ATOM 685 O MET A 43 -1.613 13.772 -5.732 1.00 0.00 O ATOM 686 CB MET A 43 0.023 14.430 -8.188 1.00 0.00 C ATOM 687 CG MET A 43 0.926 15.443 -8.895 1.00 0.00 C ATOM 688 SD MET A 43 0.137 17.044 -8.930 1.00 0.00 S ATOM 689 CE MET A 43 1.549 18.077 -9.287 1.00 0.00 C ATOM 0 H MET A 43 2.091 13.184 -7.761 1.00 0.00 H new ATOM 0 HA MET A 43 0.648 15.091 -6.229 1.00 0.00 H new ATOM 0 HB2 MET A 43 -0.002 13.501 -8.757 1.00 0.00 H new ATOM 0 HB3 MET A 43 -0.998 14.810 -8.153 1.00 0.00 H new ATOM 0 HG2 MET A 43 1.884 15.512 -8.379 1.00 0.00 H new ATOM 0 HG3 MET A 43 1.135 15.109 -9.911 1.00 0.00 H new ATOM 0 HE1 MET A 43 1.233 19.119 -9.344 1.00 0.00 H new ATOM 0 HE2 MET A 43 2.291 17.966 -8.496 1.00 0.00 H new ATOM 0 HE3 MET A 43 1.987 17.778 -10.239 1.00 0.00 H new ATOM 699 N SER A 44 -0.123 12.070 -5.736 1.00 0.00 N ATOM 700 CA SER A 44 -1.002 11.153 -5.031 1.00 0.00 C ATOM 701 C SER A 44 -0.611 11.086 -3.553 1.00 0.00 C ATOM 702 O SER A 44 0.321 10.373 -3.185 1.00 0.00 O ATOM 703 CB SER A 44 -0.955 9.756 -5.655 1.00 0.00 C ATOM 704 OG SER A 44 -1.031 9.805 -7.077 1.00 0.00 O ATOM 0 H SER A 44 0.790 11.685 -5.979 1.00 0.00 H new ATOM 0 HA SER A 44 -2.023 11.526 -5.115 1.00 0.00 H new ATOM 0 HB2 SER A 44 -0.033 9.257 -5.358 1.00 0.00 H new ATOM 0 HB3 SER A 44 -1.780 9.158 -5.268 1.00 0.00 H new ATOM 0 HG SER A 44 -0.996 8.895 -7.438 1.00 0.00 H new ATOM 710 N THR A 45 -1.344 11.840 -2.746 1.00 0.00 N ATOM 711 CA THR A 45 -1.086 11.875 -1.316 1.00 0.00 C ATOM 712 C THR A 45 -1.619 10.607 -0.646 1.00 0.00 C ATOM 713 O THR A 45 -2.334 9.825 -1.271 1.00 0.00 O ATOM 714 CB THR A 45 -1.698 13.161 -0.757 1.00 0.00 C ATOM 715 OG1 THR A 45 -3.074 13.076 -1.118 1.00 0.00 O ATOM 716 CG2 THR A 45 -1.199 14.412 -1.485 1.00 0.00 C ATOM 0 H THR A 45 -2.116 12.431 -3.055 1.00 0.00 H new ATOM 0 HA THR A 45 -0.016 11.889 -1.107 1.00 0.00 H new ATOM 0 HB THR A 45 -1.465 13.242 0.305 1.00 0.00 H new ATOM 0 HG1 THR A 45 -3.547 13.870 -0.793 1.00 0.00 H new ATOM 0 HG21 THR A 45 -1.664 15.296 -1.049 1.00 0.00 H new ATOM 0 HG22 THR A 45 -0.116 14.484 -1.384 1.00 0.00 H new ATOM 0 HG23 THR A 45 -1.461 14.347 -2.541 1.00 0.00 H new ATOM 724 N LEU A 46 -1.251 10.444 0.616 1.00 0.00 N ATOM 725 CA LEU A 46 -1.683 9.284 1.377 1.00 0.00 C ATOM 726 C LEU A 46 -3.197 9.120 1.232 1.00 0.00 C ATOM 727 O LEU A 46 -3.667 8.135 0.664 1.00 0.00 O ATOM 728 CB LEU A 46 -1.212 9.391 2.829 1.00 0.00 C ATOM 729 CG LEU A 46 -0.872 8.070 3.522 1.00 0.00 C ATOM 730 CD1 LEU A 46 0.458 8.172 4.273 1.00 0.00 C ATOM 731 CD2 LEU A 46 -2.013 7.620 4.436 1.00 0.00 C ATOM 0 H LEU A 46 -0.659 11.096 1.131 1.00 0.00 H new ATOM 0 HA LEU A 46 -1.225 8.377 0.983 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -0.330 10.031 2.858 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -1.989 9.892 3.406 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.752 7.304 2.756 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.677 7.220 4.757 1.00 0.00 H new ATOM 0 HD12 LEU A 46 1.255 8.413 3.570 1.00 0.00 H new ATOM 0 HD13 LEU A 46 0.390 8.955 5.028 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -1.745 6.679 4.916 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -2.189 8.379 5.198 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -2.919 7.481 3.846 1.00 0.00 H new ATOM 743 N ASP A 47 -3.920 10.100 1.756 1.00 0.00 N ATOM 744 CA ASP A 47 -5.371 10.076 1.692 1.00 0.00 C ATOM 745 C ASP A 47 -5.809 9.674 0.282 1.00 0.00 C ATOM 746 O ASP A 47 -6.677 8.818 0.118 1.00 0.00 O ATOM 747 CB ASP A 47 -5.958 11.456 1.994 1.00 0.00 C ATOM 748 CG ASP A 47 -6.668 11.575 3.344 1.00 0.00 C ATOM 749 OD1 ASP A 47 -5.958 11.851 4.336 1.00 0.00 O ATOM 750 OD2 ASP A 47 -7.904 11.388 3.355 1.00 0.00 O ATOM 0 H ASP A 47 -3.527 10.915 2.227 1.00 0.00 H new ATOM 0 HA ASP A 47 -5.729 9.361 2.433 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -5.155 12.192 1.957 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -6.664 11.715 1.205 1.00 0.00 H new ATOM 755 N GLU A 48 -5.188 10.311 -0.700 1.00 0.00 N ATOM 756 CA GLU A 48 -5.502 10.031 -2.090 1.00 0.00 C ATOM 757 C GLU A 48 -5.341 8.538 -2.381 1.00 0.00 C ATOM 758 O GLU A 48 -6.191 7.933 -3.032 1.00 0.00 O ATOM 759 CB GLU A 48 -4.632 10.869 -3.029 1.00 0.00 C ATOM 760 CG GLU A 48 -5.468 11.928 -3.752 1.00 0.00 C ATOM 761 CD GLU A 48 -4.870 12.257 -5.122 1.00 0.00 C ATOM 762 OE1 GLU A 48 -3.993 13.147 -5.160 1.00 0.00 O ATOM 763 OE2 GLU A 48 -5.304 11.610 -6.100 1.00 0.00 O ATOM 0 H GLU A 48 -4.469 11.020 -0.560 1.00 0.00 H new ATOM 0 HA GLU A 48 -6.541 10.306 -2.269 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -3.838 11.353 -2.460 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -4.150 10.220 -3.760 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -6.490 11.569 -3.874 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -5.518 12.833 -3.146 1.00 0.00 H new ATOM 770 N LEU A 49 -4.244 7.986 -1.883 1.00 0.00 N ATOM 771 CA LEU A 49 -3.960 6.575 -2.081 1.00 0.00 C ATOM 772 C LEU A 49 -5.019 5.740 -1.359 1.00 0.00 C ATOM 773 O LEU A 49 -5.789 5.023 -1.996 1.00 0.00 O ATOM 774 CB LEU A 49 -2.526 6.252 -1.655 1.00 0.00 C ATOM 775 CG LEU A 49 -1.703 5.423 -2.643 1.00 0.00 C ATOM 776 CD1 LEU A 49 -0.954 6.326 -3.625 1.00 0.00 C ATOM 777 CD2 LEU A 49 -0.759 4.470 -1.907 1.00 0.00 C ATOM 0 H LEU A 49 -3.541 8.491 -1.343 1.00 0.00 H new ATOM 0 HA LEU A 49 -4.019 6.319 -3.139 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -2.002 7.190 -1.474 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -2.562 5.718 -0.705 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.388 4.809 -3.228 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.377 5.712 -4.316 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -1.670 6.927 -4.185 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -0.281 6.983 -3.074 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -0.186 3.893 -2.633 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.077 5.045 -1.281 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -1.341 3.792 -1.282 1.00 0.00 H new ATOM 789 N PHE A 50 -5.024 5.861 -0.040 1.00 0.00 N ATOM 790 CA PHE A 50 -5.976 5.126 0.776 1.00 0.00 C ATOM 791 C PHE A 50 -7.355 5.095 0.114 1.00 0.00 C ATOM 792 O PHE A 50 -7.998 4.048 0.060 1.00 0.00 O ATOM 793 CB PHE A 50 -6.081 5.862 2.113 1.00 0.00 C ATOM 794 CG PHE A 50 -6.534 4.977 3.276 1.00 0.00 C ATOM 795 CD1 PHE A 50 -5.961 3.759 3.467 1.00 0.00 C ATOM 796 CD2 PHE A 50 -7.509 5.409 4.120 1.00 0.00 C ATOM 797 CE1 PHE A 50 -6.381 2.937 4.546 1.00 0.00 C ATOM 798 CE2 PHE A 50 -7.929 4.588 5.199 1.00 0.00 C ATOM 799 CZ PHE A 50 -7.356 3.370 5.390 1.00 0.00 C ATOM 0 H PHE A 50 -4.384 6.457 0.485 1.00 0.00 H new ATOM 0 HA PHE A 50 -5.641 4.097 0.904 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -5.110 6.294 2.355 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -6.781 6.691 2.006 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -5.186 3.416 2.798 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -7.964 6.377 3.969 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -5.927 1.969 4.696 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -8.704 4.931 5.868 1.00 0.00 H new ATOM 0 HZ PHE A 50 -7.675 2.746 6.212 1.00 0.00 H new ATOM 809 N GLU A 51 -7.769 6.256 -0.372 1.00 0.00 N ATOM 810 CA GLU A 51 -9.060 6.375 -1.028 1.00 0.00 C ATOM 811 C GLU A 51 -9.003 5.763 -2.429 1.00 0.00 C ATOM 812 O GLU A 51 -9.857 4.956 -2.793 1.00 0.00 O ATOM 813 CB GLU A 51 -9.513 7.835 -1.086 1.00 0.00 C ATOM 814 CG GLU A 51 -10.882 8.011 -0.427 1.00 0.00 C ATOM 815 CD GLU A 51 -11.534 9.327 -0.859 1.00 0.00 C ATOM 816 OE1 GLU A 51 -11.229 10.351 -0.210 1.00 0.00 O ATOM 817 OE2 GLU A 51 -12.322 9.278 -1.828 1.00 0.00 O ATOM 0 H GLU A 51 -7.233 7.123 -0.325 1.00 0.00 H new ATOM 0 HA GLU A 51 -9.795 5.823 -0.442 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -8.780 8.467 -0.584 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -9.560 8.164 -2.124 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -11.529 7.176 -0.695 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -10.772 7.994 0.657 1.00 0.00 H new ATOM 824 N GLU A 52 -7.987 6.169 -3.176 1.00 0.00 N ATOM 825 CA GLU A 52 -7.807 5.671 -4.529 1.00 0.00 C ATOM 826 C GLU A 52 -7.761 4.141 -4.529 1.00 0.00 C ATOM 827 O GLU A 52 -8.547 3.493 -5.218 1.00 0.00 O ATOM 828 CB GLU A 52 -6.546 6.258 -5.167 1.00 0.00 C ATOM 829 CG GLU A 52 -6.318 5.679 -6.564 1.00 0.00 C ATOM 830 CD GLU A 52 -5.380 6.570 -7.381 1.00 0.00 C ATOM 831 OE1 GLU A 52 -5.574 7.804 -7.319 1.00 0.00 O ATOM 832 OE2 GLU A 52 -4.491 5.998 -8.048 1.00 0.00 O ATOM 0 H GLU A 52 -7.280 6.837 -2.870 1.00 0.00 H new ATOM 0 HA GLU A 52 -8.659 5.990 -5.129 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -6.637 7.342 -5.229 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -5.683 6.046 -4.536 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -5.894 4.678 -6.482 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -7.273 5.580 -7.081 1.00 0.00 H new ATOM 839 N LEU A 53 -6.832 3.609 -3.749 1.00 0.00 N ATOM 840 CA LEU A 53 -6.673 2.168 -3.651 1.00 0.00 C ATOM 841 C LEU A 53 -8.017 1.535 -3.288 1.00 0.00 C ATOM 842 O LEU A 53 -8.499 0.647 -3.991 1.00 0.00 O ATOM 843 CB LEU A 53 -5.546 1.819 -2.676 1.00 0.00 C ATOM 844 CG LEU A 53 -4.199 2.496 -2.938 1.00 0.00 C ATOM 845 CD1 LEU A 53 -3.462 2.775 -1.626 1.00 0.00 C ATOM 846 CD2 LEU A 53 -3.350 1.673 -3.908 1.00 0.00 C ATOM 0 H LEU A 53 -6.182 4.150 -3.179 1.00 0.00 H new ATOM 0 HA LEU A 53 -6.373 1.751 -4.612 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -5.871 2.079 -1.668 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -5.397 0.739 -2.695 1.00 0.00 H new ATOM 0 HG LEU A 53 -4.388 3.459 -3.413 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -2.508 3.256 -1.840 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -4.067 3.431 -1.001 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.285 1.836 -1.101 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -2.398 2.177 -4.076 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -3.167 0.686 -3.484 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -3.878 1.569 -4.856 1.00 0.00 H new ATOM 858 N ASP A 54 -8.585 2.015 -2.192 1.00 0.00 N ATOM 859 CA ASP A 54 -9.865 1.506 -1.728 1.00 0.00 C ATOM 860 C ASP A 54 -10.947 1.848 -2.755 1.00 0.00 C ATOM 861 O ASP A 54 -11.265 3.018 -2.961 1.00 0.00 O ATOM 862 CB ASP A 54 -10.260 2.144 -0.395 1.00 0.00 C ATOM 863 CG ASP A 54 -11.741 2.017 -0.031 1.00 0.00 C ATOM 864 OD1 ASP A 54 -12.266 0.891 -0.172 1.00 0.00 O ATOM 865 OD2 ASP A 54 -12.315 3.049 0.380 1.00 0.00 O ATOM 0 H ASP A 54 -8.183 2.751 -1.611 1.00 0.00 H new ATOM 0 HA ASP A 54 -9.773 0.428 -1.599 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -9.666 1.690 0.398 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -9.998 3.202 -0.424 1.00 0.00 H new ATOM 870 N LYS A 55 -11.483 0.805 -3.371 1.00 0.00 N ATOM 871 CA LYS A 55 -12.523 0.979 -4.371 1.00 0.00 C ATOM 872 C LYS A 55 -13.550 -0.146 -4.234 1.00 0.00 C ATOM 873 O LYS A 55 -13.729 -0.943 -5.154 1.00 0.00 O ATOM 874 CB LYS A 55 -11.910 1.086 -5.769 1.00 0.00 C ATOM 875 CG LYS A 55 -11.869 2.540 -6.241 1.00 0.00 C ATOM 876 CD LYS A 55 -11.164 2.659 -7.593 1.00 0.00 C ATOM 877 CE LYS A 55 -11.971 3.529 -8.558 1.00 0.00 C ATOM 878 NZ LYS A 55 -11.657 3.177 -9.961 1.00 0.00 N ATOM 0 H LYS A 55 -11.217 -0.164 -3.197 1.00 0.00 H new ATOM 0 HA LYS A 55 -13.054 1.917 -4.209 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -10.901 0.675 -5.760 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -12.491 0.488 -6.471 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -12.884 2.929 -6.321 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -11.351 3.151 -5.502 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -10.172 3.089 -7.453 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -11.024 1.667 -8.023 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -13.037 3.395 -8.373 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -11.747 4.581 -8.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -12.214 3.777 -10.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -10.643 3.328 -10.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -11.893 2.178 -10.130 1.00 0.00 H new ATOM 892 N ASN A 56 -14.198 -0.175 -3.079 1.00 0.00 N ATOM 893 CA ASN A 56 -15.203 -1.190 -2.810 1.00 0.00 C ATOM 894 C ASN A 56 -16.191 -0.660 -1.768 1.00 0.00 C ATOM 895 O ASN A 56 -17.390 -0.578 -2.030 1.00 0.00 O ATOM 896 CB ASN A 56 -14.565 -2.463 -2.251 1.00 0.00 C ATOM 897 CG ASN A 56 -13.393 -2.917 -3.124 1.00 0.00 C ATOM 898 OD1 ASN A 56 -12.236 -2.647 -2.846 1.00 0.00 O ATOM 899 ND2 ASN A 56 -13.756 -3.621 -4.192 1.00 0.00 N ATOM 0 H ASN A 56 -14.047 0.488 -2.319 1.00 0.00 H new ATOM 0 HA ASN A 56 -15.707 -1.421 -3.748 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -14.217 -2.283 -1.234 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -15.312 -3.255 -2.198 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -13.048 -3.971 -4.837 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -14.743 -3.811 -4.366 1.00 0.00 H new ATOM 906 N GLY A 57 -15.650 -0.313 -0.609 1.00 0.00 N ATOM 907 CA GLY A 57 -16.468 0.207 0.473 1.00 0.00 C ATOM 908 C GLY A 57 -15.826 -0.077 1.832 1.00 0.00 C ATOM 909 O GLY A 57 -15.718 0.816 2.670 1.00 0.00 O ATOM 0 H GLY A 57 -14.655 -0.382 -0.396 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -16.602 1.281 0.348 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -17.459 -0.245 0.434 1.00 0.00 H new ATOM 913 N ASP A 58 -15.415 -1.325 2.007 1.00 0.00 N ATOM 914 CA ASP A 58 -14.785 -1.738 3.250 1.00 0.00 C ATOM 915 C ASP A 58 -13.831 -0.639 3.723 1.00 0.00 C ATOM 916 O ASP A 58 -13.949 -0.151 4.845 1.00 0.00 O ATOM 917 CB ASP A 58 -13.972 -3.019 3.056 1.00 0.00 C ATOM 918 CG ASP A 58 -13.161 -3.081 1.761 1.00 0.00 C ATOM 919 OD1 ASP A 58 -12.001 -2.617 1.795 1.00 0.00 O ATOM 920 OD2 ASP A 58 -13.719 -3.590 0.765 1.00 0.00 O ATOM 0 H ASP A 58 -15.506 -2.063 1.309 1.00 0.00 H new ATOM 0 HA ASP A 58 -15.571 -1.918 3.983 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -13.290 -3.130 3.899 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -14.652 -3.870 3.082 1.00 0.00 H new ATOM 925 N GLY A 59 -12.907 -0.284 2.842 1.00 0.00 N ATOM 926 CA GLY A 59 -11.932 0.748 3.156 1.00 0.00 C ATOM 927 C GLY A 59 -10.508 0.191 3.103 1.00 0.00 C ATOM 928 O GLY A 59 -9.656 0.724 2.394 1.00 0.00 O ATOM 0 H GLY A 59 -12.813 -0.692 1.912 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -12.030 1.573 2.450 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -12.132 1.152 4.148 1.00 0.00 H new ATOM 932 N GLU A 60 -10.295 -0.873 3.863 1.00 0.00 N ATOM 933 CA GLU A 60 -8.988 -1.508 3.911 1.00 0.00 C ATOM 934 C GLU A 60 -8.388 -1.594 2.507 1.00 0.00 C ATOM 935 O GLU A 60 -9.115 -1.731 1.524 1.00 0.00 O ATOM 936 CB GLU A 60 -9.075 -2.892 4.557 1.00 0.00 C ATOM 937 CG GLU A 60 -9.485 -2.786 6.027 1.00 0.00 C ATOM 938 CD GLU A 60 -8.454 -1.987 6.828 1.00 0.00 C ATOM 939 OE1 GLU A 60 -7.311 -2.482 6.935 1.00 0.00 O ATOM 940 OE2 GLU A 60 -8.832 -0.900 7.314 1.00 0.00 O ATOM 0 H GLU A 60 -11.004 -1.311 4.450 1.00 0.00 H new ATOM 0 HA GLU A 60 -8.330 -0.896 4.528 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -9.798 -3.504 4.017 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -8.111 -3.394 4.480 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -10.461 -2.306 6.102 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -9.587 -3.784 6.453 1.00 0.00 H new ATOM 947 N VAL A 61 -7.066 -1.511 2.457 1.00 0.00 N ATOM 948 CA VAL A 61 -6.360 -1.579 1.189 1.00 0.00 C ATOM 949 C VAL A 61 -5.884 -3.013 0.951 1.00 0.00 C ATOM 950 O VAL A 61 -4.754 -3.361 1.291 1.00 0.00 O ATOM 951 CB VAL A 61 -5.218 -0.560 1.171 1.00 0.00 C ATOM 952 CG1 VAL A 61 -4.278 -0.811 -0.009 1.00 0.00 C ATOM 953 CG2 VAL A 61 -5.761 0.870 1.145 1.00 0.00 C ATOM 0 H VAL A 61 -6.466 -1.397 3.274 1.00 0.00 H new ATOM 0 HA VAL A 61 -7.026 -1.317 0.367 1.00 0.00 H new ATOM 0 HB VAL A 61 -4.643 -0.684 2.089 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -3.476 -0.073 0.002 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -3.852 -1.811 0.071 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.835 -0.728 -0.942 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.930 1.575 1.133 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -6.370 1.012 0.252 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -6.371 1.044 2.032 1.00 0.00 H new ATOM 963 N SER A 62 -6.770 -3.808 0.368 1.00 0.00 N ATOM 964 CA SER A 62 -6.455 -5.197 0.080 1.00 0.00 C ATOM 965 C SER A 62 -5.179 -5.281 -0.759 1.00 0.00 C ATOM 966 O SER A 62 -4.912 -4.404 -1.579 1.00 0.00 O ATOM 967 CB SER A 62 -7.613 -5.885 -0.644 1.00 0.00 C ATOM 968 OG SER A 62 -8.499 -4.947 -1.248 1.00 0.00 O ATOM 0 H SER A 62 -7.706 -3.516 0.087 1.00 0.00 H new ATOM 0 HA SER A 62 -6.295 -5.715 1.026 1.00 0.00 H new ATOM 0 HB2 SER A 62 -7.216 -6.553 -1.409 1.00 0.00 H new ATOM 0 HB3 SER A 62 -8.167 -6.503 0.063 1.00 0.00 H new ATOM 0 HG SER A 62 -9.224 -5.426 -1.701 1.00 0.00 H new ATOM 974 N PHE A 63 -4.423 -6.343 -0.524 1.00 0.00 N ATOM 975 CA PHE A 63 -3.181 -6.553 -1.248 1.00 0.00 C ATOM 976 C PHE A 63 -3.392 -6.399 -2.756 1.00 0.00 C ATOM 977 O PHE A 63 -2.514 -5.906 -3.462 1.00 0.00 O ATOM 978 CB PHE A 63 -2.727 -7.984 -0.953 1.00 0.00 C ATOM 979 CG PHE A 63 -1.462 -8.403 -1.703 1.00 0.00 C ATOM 980 CD1 PHE A 63 -0.459 -7.506 -1.899 1.00 0.00 C ATOM 981 CD2 PHE A 63 -1.339 -9.673 -2.174 1.00 0.00 C ATOM 982 CE1 PHE A 63 0.716 -7.895 -2.596 1.00 0.00 C ATOM 983 CE2 PHE A 63 -0.164 -10.062 -2.871 1.00 0.00 C ATOM 984 CZ PHE A 63 0.838 -9.165 -3.067 1.00 0.00 C ATOM 0 H PHE A 63 -4.647 -7.068 0.158 1.00 0.00 H new ATOM 0 HA PHE A 63 -2.440 -5.818 -0.935 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -2.552 -8.085 0.118 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -3.534 -8.670 -1.210 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -0.556 -6.498 -1.525 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -2.135 -10.386 -2.018 1.00 0.00 H new ATOM 0 HE1 PHE A 63 1.512 -7.182 -2.752 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -0.067 -11.070 -3.245 1.00 0.00 H new ATOM 0 HZ PHE A 63 1.731 -9.461 -3.597 1.00 0.00 H new ATOM 994 N GLU A 64 -4.562 -6.830 -3.204 1.00 0.00 N ATOM 995 CA GLU A 64 -4.900 -6.745 -4.615 1.00 0.00 C ATOM 996 C GLU A 64 -4.972 -5.282 -5.057 1.00 0.00 C ATOM 997 O GLU A 64 -4.178 -4.840 -5.885 1.00 0.00 O ATOM 998 CB GLU A 64 -6.214 -7.472 -4.908 1.00 0.00 C ATOM 999 CG GLU A 64 -5.982 -8.974 -5.084 1.00 0.00 C ATOM 1000 CD GLU A 64 -6.292 -9.412 -6.517 1.00 0.00 C ATOM 1001 OE1 GLU A 64 -5.592 -8.916 -7.426 1.00 0.00 O ATOM 1002 OE2 GLU A 64 -7.221 -10.234 -6.671 1.00 0.00 O ATOM 0 H GLU A 64 -5.288 -7.239 -2.615 1.00 0.00 H new ATOM 0 HA GLU A 64 -4.114 -7.238 -5.187 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -6.917 -7.302 -4.093 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -6.667 -7.062 -5.811 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -4.947 -9.217 -4.841 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -6.611 -9.527 -4.387 1.00 0.00 H new ATOM 1009 N GLU A 65 -5.932 -4.571 -4.484 1.00 0.00 N ATOM 1010 CA GLU A 65 -6.119 -3.167 -4.809 1.00 0.00 C ATOM 1011 C GLU A 65 -4.781 -2.427 -4.753 1.00 0.00 C ATOM 1012 O GLU A 65 -4.560 -1.478 -5.504 1.00 0.00 O ATOM 1013 CB GLU A 65 -7.143 -2.519 -3.874 1.00 0.00 C ATOM 1014 CG GLU A 65 -8.570 -2.787 -4.355 1.00 0.00 C ATOM 1015 CD GLU A 65 -9.583 -1.972 -3.549 1.00 0.00 C ATOM 1016 OE1 GLU A 65 -9.499 -2.035 -2.303 1.00 0.00 O ATOM 1017 OE2 GLU A 65 -10.418 -1.304 -4.196 1.00 0.00 O ATOM 0 H GLU A 65 -6.589 -4.941 -3.797 1.00 0.00 H new ATOM 0 HA GLU A 65 -6.509 -3.098 -5.825 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -7.017 -2.909 -2.864 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -6.968 -1.444 -3.825 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -8.654 -2.535 -5.412 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -8.796 -3.849 -4.261 1.00 0.00 H new ATOM 1024 N PHE A 66 -3.922 -2.889 -3.855 1.00 0.00 N ATOM 1025 CA PHE A 66 -2.612 -2.283 -3.692 1.00 0.00 C ATOM 1026 C PHE A 66 -1.721 -2.568 -4.903 1.00 0.00 C ATOM 1027 O PHE A 66 -0.996 -1.688 -5.364 1.00 0.00 O ATOM 1028 CB PHE A 66 -1.980 -2.914 -2.449 1.00 0.00 C ATOM 1029 CG PHE A 66 -0.625 -2.314 -2.068 1.00 0.00 C ATOM 1030 CD1 PHE A 66 -0.511 -0.976 -1.848 1.00 0.00 C ATOM 1031 CD2 PHE A 66 0.466 -3.117 -1.949 1.00 0.00 C ATOM 1032 CE1 PHE A 66 0.746 -0.419 -1.494 1.00 0.00 C ATOM 1033 CE2 PHE A 66 1.723 -2.560 -1.595 1.00 0.00 C ATOM 1034 CZ PHE A 66 1.837 -1.223 -1.375 1.00 0.00 C ATOM 0 H PHE A 66 -4.108 -3.676 -3.233 1.00 0.00 H new ATOM 0 HA PHE A 66 -2.711 -1.202 -3.595 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -2.665 -2.801 -1.609 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -1.857 -3.984 -2.619 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -1.377 -0.338 -1.943 1.00 0.00 H new ATOM 0 HD2 PHE A 66 0.376 -4.179 -2.124 1.00 0.00 H new ATOM 0 HE1 PHE A 66 0.836 0.643 -1.319 1.00 0.00 H new ATOM 0 HE2 PHE A 66 2.589 -3.198 -1.500 1.00 0.00 H new ATOM 0 HZ PHE A 66 2.793 -0.799 -1.106 1.00 0.00 H new ATOM 1044 N GLN A 67 -1.805 -3.800 -5.383 1.00 0.00 N ATOM 1045 CA GLN A 67 -1.016 -4.211 -6.531 1.00 0.00 C ATOM 1046 C GLN A 67 -1.112 -3.164 -7.643 1.00 0.00 C ATOM 1047 O GLN A 67 -0.207 -3.044 -8.467 1.00 0.00 O ATOM 1048 CB GLN A 67 -1.455 -5.587 -7.034 1.00 0.00 C ATOM 1049 CG GLN A 67 -1.218 -6.661 -5.970 1.00 0.00 C ATOM 1050 CD GLN A 67 -0.675 -7.946 -6.600 1.00 0.00 C ATOM 1051 OE1 GLN A 67 -1.237 -8.496 -7.532 1.00 0.00 O ATOM 1052 NE2 GLN A 67 0.447 -8.390 -6.040 1.00 0.00 N ATOM 0 H GLN A 67 -2.408 -4.527 -4.997 1.00 0.00 H new ATOM 0 HA GLN A 67 0.026 -4.290 -6.222 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -2.512 -5.561 -7.300 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -0.904 -5.840 -7.940 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -0.514 -6.291 -5.225 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -2.151 -6.874 -5.448 1.00 0.00 H new ATOM 0 HE21 GLN A 67 0.865 -7.880 -5.262 1.00 0.00 H new ATOM 0 HE22 GLN A 67 0.889 -9.240 -6.389 1.00 0.00 H new ATOM 1061 N VAL A 68 -2.217 -2.434 -7.631 1.00 0.00 N ATOM 1062 CA VAL A 68 -2.443 -1.402 -8.628 1.00 0.00 C ATOM 1063 C VAL A 68 -1.337 -0.349 -8.527 1.00 0.00 C ATOM 1064 O VAL A 68 -0.912 0.210 -9.537 1.00 0.00 O ATOM 1065 CB VAL A 68 -3.845 -0.812 -8.463 1.00 0.00 C ATOM 1066 CG1 VAL A 68 -4.034 0.414 -9.358 1.00 0.00 C ATOM 1067 CG2 VAL A 68 -4.919 -1.866 -8.743 1.00 0.00 C ATOM 0 H VAL A 68 -2.966 -2.537 -6.946 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.399 -1.826 -9.631 1.00 0.00 H new ATOM 0 HB VAL A 68 -3.953 -0.490 -7.427 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -5.039 0.813 -9.221 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -3.301 1.176 -9.091 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -3.897 0.128 -10.401 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -5.906 -1.421 -8.619 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -4.812 -2.232 -9.764 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -4.805 -2.696 -8.046 1.00 0.00 H new ATOM 1077 N LEU A 69 -0.902 -0.111 -7.298 1.00 0.00 N ATOM 1078 CA LEU A 69 0.147 0.864 -7.052 1.00 0.00 C ATOM 1079 C LEU A 69 1.506 0.233 -7.360 1.00 0.00 C ATOM 1080 O LEU A 69 2.352 0.856 -8.000 1.00 0.00 O ATOM 1081 CB LEU A 69 0.036 1.422 -5.631 1.00 0.00 C ATOM 1082 CG LEU A 69 1.002 2.556 -5.279 1.00 0.00 C ATOM 1083 CD1 LEU A 69 0.332 3.920 -5.453 1.00 0.00 C ATOM 1084 CD2 LEU A 69 1.572 2.372 -3.871 1.00 0.00 C ATOM 0 H LEU A 69 -1.257 -0.576 -6.462 1.00 0.00 H new ATOM 0 HA LEU A 69 0.035 1.721 -7.717 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.983 1.779 -5.481 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.194 0.605 -4.927 1.00 0.00 H new ATOM 0 HG LEU A 69 1.841 2.519 -5.974 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.040 4.708 -5.196 1.00 0.00 H new ATOM 0 HD12 LEU A 69 0.015 4.040 -6.489 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.537 3.985 -4.798 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.255 3.191 -3.645 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.758 2.369 -3.146 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.110 1.425 -3.817 1.00 0.00 H new ATOM 1096 N VAL A 70 1.674 -0.994 -6.890 1.00 0.00 N ATOM 1097 CA VAL A 70 2.916 -1.716 -7.108 1.00 0.00 C ATOM 1098 C VAL A 70 3.261 -1.691 -8.598 1.00 0.00 C ATOM 1099 O VAL A 70 4.398 -1.407 -8.972 1.00 0.00 O ATOM 1100 CB VAL A 70 2.804 -3.133 -6.544 1.00 0.00 C ATOM 1101 CG1 VAL A 70 3.695 -4.105 -7.321 1.00 0.00 C ATOM 1102 CG2 VAL A 70 3.137 -3.158 -5.051 1.00 0.00 C ATOM 0 H VAL A 70 0.970 -1.507 -6.359 1.00 0.00 H new ATOM 0 HA VAL A 70 3.736 -1.233 -6.576 1.00 0.00 H new ATOM 0 HB VAL A 70 1.770 -3.459 -6.662 1.00 0.00 H new ATOM 0 HG11 VAL A 70 3.596 -5.105 -6.899 1.00 0.00 H new ATOM 0 HG12 VAL A 70 3.390 -4.121 -8.367 1.00 0.00 H new ATOM 0 HG13 VAL A 70 4.734 -3.782 -7.250 1.00 0.00 H new ATOM 0 HG21 VAL A 70 3.049 -4.178 -4.676 1.00 0.00 H new ATOM 0 HG22 VAL A 70 4.156 -2.802 -4.899 1.00 0.00 H new ATOM 0 HG23 VAL A 70 2.443 -2.512 -4.513 1.00 0.00 H new ATOM 1112 N LYS A 71 2.258 -1.992 -9.410 1.00 0.00 N ATOM 1113 CA LYS A 71 2.441 -2.007 -10.852 1.00 0.00 C ATOM 1114 C LYS A 71 3.034 -0.670 -11.301 1.00 0.00 C ATOM 1115 O LYS A 71 3.935 -0.636 -12.137 1.00 0.00 O ATOM 1116 CB LYS A 71 1.130 -2.366 -11.554 1.00 0.00 C ATOM 1117 CG LYS A 71 1.388 -3.236 -12.786 1.00 0.00 C ATOM 1118 CD LYS A 71 0.364 -2.948 -13.885 1.00 0.00 C ATOM 1119 CE LYS A 71 1.009 -2.197 -15.052 1.00 0.00 C ATOM 1120 NZ LYS A 71 -0.007 -1.850 -16.070 1.00 0.00 N ATOM 0 H LYS A 71 1.316 -2.227 -9.097 1.00 0.00 H new ATOM 0 HA LYS A 71 3.152 -2.782 -11.138 1.00 0.00 H new ATOM 0 HB2 LYS A 71 0.476 -2.895 -10.861 1.00 0.00 H new ATOM 0 HB3 LYS A 71 0.611 -1.455 -11.850 1.00 0.00 H new ATOM 0 HG2 LYS A 71 2.394 -3.050 -13.163 1.00 0.00 H new ATOM 0 HG3 LYS A 71 1.342 -4.289 -12.508 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -0.064 -3.884 -14.243 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -0.456 -2.358 -13.477 1.00 0.00 H new ATOM 0 HE2 LYS A 71 1.491 -1.290 -14.687 1.00 0.00 H new ATOM 0 HE3 LYS A 71 1.788 -2.812 -15.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 0.448 -1.341 -16.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -0.448 -2.720 -16.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -0.736 -1.245 -15.641 1.00 0.00 H new ATOM 1134 N LYS A 72 2.503 0.399 -10.726 1.00 0.00 N ATOM 1135 CA LYS A 72 2.968 1.735 -11.056 1.00 0.00 C ATOM 1136 C LYS A 72 4.379 1.932 -10.497 1.00 0.00 C ATOM 1137 O LYS A 72 5.166 2.701 -11.047 1.00 0.00 O ATOM 1138 CB LYS A 72 1.964 2.786 -10.577 1.00 0.00 C ATOM 1139 CG LYS A 72 0.645 2.673 -11.343 1.00 0.00 C ATOM 1140 CD LYS A 72 0.779 3.249 -12.754 1.00 0.00 C ATOM 1141 CE LYS A 72 -0.350 4.238 -13.052 1.00 0.00 C ATOM 1142 NZ LYS A 72 -0.630 4.282 -14.505 1.00 0.00 N ATOM 0 H LYS A 72 1.755 0.367 -10.033 1.00 0.00 H new ATOM 0 HA LYS A 72 3.033 1.859 -12.137 1.00 0.00 H new ATOM 0 HB2 LYS A 72 1.781 2.660 -9.510 1.00 0.00 H new ATOM 0 HB3 LYS A 72 2.383 3.783 -10.713 1.00 0.00 H new ATOM 0 HG2 LYS A 72 0.342 1.627 -11.400 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.140 3.203 -10.803 1.00 0.00 H new ATOM 0 HD2 LYS A 72 1.742 3.749 -12.857 1.00 0.00 H new ATOM 0 HD3 LYS A 72 0.761 2.440 -13.484 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -1.250 3.946 -12.511 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -0.074 5.231 -12.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -1.399 4.958 -14.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 0.225 4.582 -15.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -0.914 3.337 -14.833 1.00 0.00 H new ATOM 1156 N ILE A 73 4.655 1.225 -9.412 1.00 0.00 N ATOM 1157 CA ILE A 73 5.957 1.313 -8.772 1.00 0.00 C ATOM 1158 C ILE A 73 6.983 0.544 -9.607 1.00 0.00 C ATOM 1159 O ILE A 73 8.076 1.043 -9.867 1.00 0.00 O ATOM 1160 CB ILE A 73 5.872 0.845 -7.318 1.00 0.00 C ATOM 1161 CG1 ILE A 73 5.242 1.921 -6.431 1.00 0.00 C ATOM 1162 CG2 ILE A 73 7.244 0.407 -6.802 1.00 0.00 C ATOM 1163 CD1 ILE A 73 4.475 1.292 -5.266 1.00 0.00 C ATOM 0 H ILE A 73 3.999 0.588 -8.959 1.00 0.00 H new ATOM 0 HA ILE A 73 6.292 2.349 -8.730 1.00 0.00 H new ATOM 0 HB ILE A 73 5.220 -0.027 -7.278 1.00 0.00 H new ATOM 0 HG12 ILE A 73 6.020 2.580 -6.045 1.00 0.00 H new ATOM 0 HG13 ILE A 73 4.567 2.537 -7.025 1.00 0.00 H new ATOM 0 HG21 ILE A 73 7.155 0.079 -5.766 1.00 0.00 H new ATOM 0 HG22 ILE A 73 7.617 -0.416 -7.412 1.00 0.00 H new ATOM 0 HG23 ILE A 73 7.939 1.245 -6.859 1.00 0.00 H new ATOM 0 HD11 ILE A 73 4.037 2.079 -4.651 1.00 0.00 H new ATOM 0 HD12 ILE A 73 3.683 0.652 -5.655 1.00 0.00 H new ATOM 0 HD13 ILE A 73 5.158 0.696 -4.660 1.00 0.00 H new ATOM 1175 N SER A 74 6.594 -0.659 -10.003 1.00 0.00 N ATOM 1176 CA SER A 74 7.466 -1.502 -10.803 1.00 0.00 C ATOM 1177 C SER A 74 7.567 -0.949 -12.226 1.00 0.00 C ATOM 1178 O SER A 74 8.665 -0.712 -12.727 1.00 0.00 O ATOM 1179 CB SER A 74 6.964 -2.947 -10.829 1.00 0.00 C ATOM 1180 OG SER A 74 8.031 -3.881 -10.971 1.00 0.00 O ATOM 0 H SER A 74 5.686 -1.070 -9.785 1.00 0.00 H new ATOM 0 HA SER A 74 8.456 -1.499 -10.348 1.00 0.00 H new ATOM 0 HB2 SER A 74 6.418 -3.158 -9.909 1.00 0.00 H new ATOM 0 HB3 SER A 74 6.261 -3.072 -11.653 1.00 0.00 H new ATOM 0 HG SER A 74 7.669 -4.792 -10.982 1.00 0.00 H new ATOM 1186 N GLN A 75 6.407 -0.761 -12.837 1.00 0.00 N ATOM 1187 CA GLN A 75 6.351 -0.240 -14.192 1.00 0.00 C ATOM 1188 C GLN A 75 6.712 1.247 -14.205 1.00 0.00 C ATOM 1189 O GLN A 75 7.632 1.659 -14.910 1.00 0.00 O ATOM 1190 CB GLN A 75 4.972 -0.475 -14.813 1.00 0.00 C ATOM 1191 CG GLN A 75 5.098 -0.991 -16.248 1.00 0.00 C ATOM 1192 CD GLN A 75 4.478 -2.383 -16.387 1.00 0.00 C ATOM 1193 OE1 GLN A 75 3.592 -2.619 -17.192 1.00 0.00 O ATOM 1194 NE2 GLN A 75 4.991 -3.289 -15.559 1.00 0.00 N ATOM 0 H GLN A 75 5.498 -0.960 -12.419 1.00 0.00 H new ATOM 0 HA GLN A 75 7.082 -0.776 -14.797 1.00 0.00 H new ATOM 0 HB2 GLN A 75 4.416 -1.194 -14.212 1.00 0.00 H new ATOM 0 HB3 GLN A 75 4.403 0.454 -14.806 1.00 0.00 H new ATOM 0 HG2 GLN A 75 4.605 -0.300 -16.931 1.00 0.00 H new ATOM 0 HG3 GLN A 75 6.149 -1.027 -16.534 1.00 0.00 H new ATOM 0 HE21 GLN A 75 5.732 -3.025 -14.909 1.00 0.00 H new ATOM 0 HE22 GLN A 75 4.644 -4.248 -15.574 1.00 0.00 H new TER 1203 GLN A 75 HETATM 1204 CE CE A 76 -12.078 -2.053 -0.400 1.00 0.00 CE