USER MOD reduce.3.24.130724 H: found=0, std=0, add=598, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 598 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 21 ASN : amide:sc= 0.985 K(o=3.1,f=1.5) USER MOD Set 1.2: A 22 GLN : amide:sc= 2.16 K(o=3.1,f=1.5) USER MOD Single : A 1 LYS N :NH3+ -135:sc= -0.535 (180deg=-3.05!) 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 25:sc= 1.25 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot -167:sc= 1.88 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0538) USER MOD Single : A 33 GLN : amide:sc= 0.948 K(o=0.95,f=-3.2!) USER MOD Single : A 34 THR OG1 : rot 78:sc= 1.12 USER MOD Single : A 38 SER OG : rot 180:sc= 0.044 USER MOD Single : A 41 LYS NZ :NH3+ -131:sc= -0.0252 (180deg=-0.886) USER MOD Single : A 44 SER OG : rot 180:sc= 0.0145 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0.126 USER MOD Single : A 55 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0229) USER MOD Single : A 56 ASN : amide:sc= 1.26 K(o=1.3,f=-5.5!) USER MOD Single : A 62 SER OG : rot -68:sc= 0.0889 USER MOD Single : A 67 GLN : amide:sc= -1.62 K(o=-1.6,f=-2.7) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ -171:sc=-0.00359 (180deg=-0.089) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= -1.39 K(o=-1.4,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -16.943 -3.776 -5.747 1.00 0.00 N ATOM 2 CA LYS A 1 -15.845 -3.147 -5.039 1.00 0.00 C ATOM 3 C LYS A 1 -15.559 -1.809 -5.729 1.00 0.00 C ATOM 4 O LYS A 1 -16.093 -1.561 -6.809 1.00 0.00 O ATOM 5 CB LYS A 1 -14.607 -4.059 -5.064 1.00 0.00 C ATOM 6 CG LYS A 1 -14.683 -5.258 -4.105 1.00 0.00 C ATOM 7 CD LYS A 1 -15.719 -6.308 -4.531 1.00 0.00 C ATOM 8 CE LYS A 1 -15.570 -7.584 -3.696 1.00 0.00 C ATOM 9 NZ LYS A 1 -16.558 -8.601 -4.096 1.00 0.00 N ATOM 0 H1 LYS A 1 -17.628 -4.152 -5.061 1.00 0.00 H new ATOM 0 H2 LYS A 1 -17.412 -3.074 -6.355 1.00 0.00 H new ATOM 0 H3 LYS A 1 -16.578 -4.553 -6.334 1.00 0.00 H new ATOM 0 HA LYS A 1 -16.102 -2.979 -3.993 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -14.464 -4.430 -6.079 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -13.728 -3.465 -4.815 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -13.702 -5.729 -4.044 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -14.928 -4.900 -3.105 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -16.724 -5.904 -4.411 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -15.594 -6.542 -5.588 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -14.563 -7.984 -3.816 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -15.695 -7.347 -2.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -16.433 -9.454 -3.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -17.518 -8.225 -3.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -16.421 -8.843 -5.098 1.00 0.00 H new ATOM 25 N SER A 2 -14.734 -0.941 -5.135 1.00 0.00 N ATOM 26 CA SER A 2 -14.392 0.340 -5.740 1.00 0.00 C ATOM 27 C SER A 2 -13.061 0.849 -5.173 1.00 0.00 C ATOM 28 O SER A 2 -12.766 0.569 -4.009 1.00 0.00 O ATOM 29 CB SER A 2 -15.524 1.349 -5.503 1.00 0.00 C ATOM 30 OG SER A 2 -15.823 1.438 -4.125 1.00 0.00 O ATOM 0 H SER A 2 -14.291 -1.108 -4.231 1.00 0.00 H new ATOM 0 HA SER A 2 -14.272 0.214 -6.816 1.00 0.00 H new ATOM 0 HB2 SER A 2 -15.232 2.328 -5.882 1.00 0.00 H new ATOM 0 HB3 SER A 2 -16.413 1.045 -6.056 1.00 0.00 H new ATOM 0 HG SER A 2 -16.545 2.086 -3.988 1.00 0.00 H new ATOM 36 N PRO A 3 -12.259 1.597 -5.958 1.00 0.00 N ATOM 37 CA PRO A 3 -10.993 2.168 -5.507 1.00 0.00 C ATOM 38 C PRO A 3 -11.122 2.875 -4.159 1.00 0.00 C ATOM 39 O PRO A 3 -10.211 2.821 -3.343 1.00 0.00 O ATOM 40 CB PRO A 3 -10.561 3.147 -6.601 1.00 0.00 C ATOM 41 CG PRO A 3 -11.183 2.547 -7.857 1.00 0.00 C ATOM 42 CD PRO A 3 -12.503 1.972 -7.345 1.00 0.00 C ATOM 0 HA PRO A 3 -10.254 1.382 -5.351 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -10.929 4.155 -6.410 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -9.476 3.213 -6.679 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -11.343 3.301 -8.628 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -10.548 1.775 -8.293 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -13.304 2.708 -7.416 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -12.809 1.109 -7.936 1.00 0.00 H new ATOM 50 N GLU A 4 -12.262 3.529 -3.922 1.00 0.00 N ATOM 51 CA GLU A 4 -12.608 4.240 -2.719 1.00 0.00 C ATOM 52 C GLU A 4 -12.361 3.385 -1.470 1.00 0.00 C ATOM 53 O GLU A 4 -11.901 3.889 -0.449 1.00 0.00 O ATOM 54 CB GLU A 4 -14.088 4.592 -2.870 1.00 0.00 C ATOM 55 CG GLU A 4 -14.338 5.625 -3.979 1.00 0.00 C ATOM 56 CD GLU A 4 -15.832 5.808 -4.225 1.00 0.00 C ATOM 57 OE1 GLU A 4 -16.432 6.628 -3.496 1.00 0.00 O ATOM 58 OE2 GLU A 4 -16.342 5.115 -5.131 1.00 0.00 O ATOM 0 H GLU A 4 -13.006 3.570 -4.619 1.00 0.00 H new ATOM 0 HA GLU A 4 -11.993 5.131 -2.589 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -14.653 3.686 -3.088 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -14.464 4.982 -1.924 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -13.892 6.579 -3.700 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -13.851 5.302 -4.899 1.00 0.00 H new ATOM 65 N GLU A 5 -12.652 2.085 -1.544 1.00 0.00 N ATOM 66 CA GLU A 5 -12.452 1.182 -0.421 1.00 0.00 C ATOM 67 C GLU A 5 -10.964 1.133 -0.087 1.00 0.00 C ATOM 68 O GLU A 5 -10.541 1.302 1.056 1.00 0.00 O ATOM 69 CB GLU A 5 -12.944 -0.223 -0.782 1.00 0.00 C ATOM 70 CG GLU A 5 -14.424 -0.215 -1.170 1.00 0.00 C ATOM 71 CD GLU A 5 -14.866 -1.594 -1.632 1.00 0.00 C ATOM 72 OE1 GLU A 5 -14.252 -2.072 -2.609 1.00 0.00 O ATOM 73 OE2 GLU A 5 -15.804 -2.142 -1.014 1.00 0.00 O ATOM 0 H GLU A 5 -13.029 1.636 -2.379 1.00 0.00 H new ATOM 0 HA GLU A 5 -13.016 1.541 0.440 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -12.352 -0.616 -1.609 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -12.792 -0.892 0.065 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -15.027 0.099 -0.318 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -14.593 0.512 -1.965 1.00 0.00 H new ATOM 80 N LEU A 6 -10.170 0.908 -1.131 1.00 0.00 N ATOM 81 CA LEU A 6 -8.726 0.790 -1.035 1.00 0.00 C ATOM 82 C LEU A 6 -8.134 2.137 -0.626 1.00 0.00 C ATOM 83 O LEU A 6 -7.142 2.185 0.091 1.00 0.00 O ATOM 84 CB LEU A 6 -8.164 0.216 -2.340 1.00 0.00 C ATOM 85 CG LEU A 6 -8.614 -1.247 -2.543 1.00 0.00 C ATOM 86 CD1 LEU A 6 -8.401 -1.671 -3.996 1.00 0.00 C ATOM 87 CD2 LEU A 6 -7.854 -2.224 -1.632 1.00 0.00 C ATOM 0 H LEU A 6 -10.523 0.801 -2.082 1.00 0.00 H new ATOM 0 HA LEU A 6 -8.438 0.084 -0.256 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -8.498 0.823 -3.182 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -7.075 0.266 -2.324 1.00 0.00 H new ATOM 0 HG LEU A 6 -9.672 -1.286 -2.284 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -8.723 -2.705 -4.124 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -8.984 -1.025 -4.653 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -7.344 -1.586 -4.249 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -8.207 -3.239 -1.813 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -6.787 -2.167 -1.847 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -8.029 -1.960 -0.589 1.00 0.00 H new ATOM 99 N LYS A 7 -8.752 3.236 -1.054 1.00 0.00 N ATOM 100 CA LYS A 7 -8.375 4.581 -0.659 1.00 0.00 C ATOM 101 C LYS A 7 -8.597 4.734 0.845 1.00 0.00 C ATOM 102 O LYS A 7 -7.731 5.248 1.549 1.00 0.00 O ATOM 103 CB LYS A 7 -9.189 5.593 -1.475 1.00 0.00 C ATOM 104 CG LYS A 7 -8.595 7.004 -1.388 1.00 0.00 C ATOM 105 CD LYS A 7 -9.320 7.942 -2.356 1.00 0.00 C ATOM 106 CE LYS A 7 -8.677 9.333 -2.323 1.00 0.00 C ATOM 107 NZ LYS A 7 -9.347 10.255 -3.256 1.00 0.00 N ATOM 0 H LYS A 7 -9.543 3.210 -1.697 1.00 0.00 H new ATOM 0 HA LYS A 7 -7.321 4.769 -0.862 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -9.222 5.276 -2.517 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -10.217 5.609 -1.113 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -8.683 7.382 -0.369 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -7.532 6.974 -1.626 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -9.278 7.537 -3.367 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -10.373 8.013 -2.085 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -8.728 9.736 -1.311 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -7.621 9.254 -2.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -8.889 11.188 -3.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -9.277 9.881 -4.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -10.349 10.348 -2.993 1.00 0.00 H new ATOM 121 N GLY A 8 -9.747 4.273 1.341 1.00 0.00 N ATOM 122 CA GLY A 8 -10.070 4.322 2.755 1.00 0.00 C ATOM 123 C GLY A 8 -9.011 3.545 3.528 1.00 0.00 C ATOM 124 O GLY A 8 -8.407 4.063 4.462 1.00 0.00 O ATOM 0 H GLY A 8 -10.478 3.855 0.765 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -10.105 5.356 3.098 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -11.057 3.894 2.932 1.00 0.00 H new ATOM 128 N ILE A 9 -8.777 2.296 3.123 1.00 0.00 N ATOM 129 CA ILE A 9 -7.781 1.417 3.723 1.00 0.00 C ATOM 130 C ILE A 9 -6.415 2.115 3.738 1.00 0.00 C ATOM 131 O ILE A 9 -5.796 2.255 4.790 1.00 0.00 O ATOM 132 CB ILE A 9 -7.770 0.089 2.947 1.00 0.00 C ATOM 133 CG1 ILE A 9 -9.093 -0.678 3.139 1.00 0.00 C ATOM 134 CG2 ILE A 9 -6.556 -0.784 3.284 1.00 0.00 C ATOM 135 CD1 ILE A 9 -9.153 -1.518 4.419 1.00 0.00 C ATOM 0 H ILE A 9 -9.286 1.862 2.353 1.00 0.00 H new ATOM 0 HA ILE A 9 -8.026 1.194 4.761 1.00 0.00 H new ATOM 0 HB ILE A 9 -7.679 0.343 1.891 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -9.916 0.037 3.148 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -9.248 -1.332 2.281 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -6.601 -1.708 2.707 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -5.641 -0.246 3.037 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -6.562 -1.020 4.348 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -10.116 -2.025 4.477 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -8.354 -2.259 4.406 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -9.032 -0.869 5.286 1.00 0.00 H new ATOM 147 N PHE A 10 -5.949 2.564 2.572 1.00 0.00 N ATOM 148 CA PHE A 10 -4.687 3.274 2.414 1.00 0.00 C ATOM 149 C PHE A 10 -4.609 4.401 3.440 1.00 0.00 C ATOM 150 O PHE A 10 -3.651 4.479 4.201 1.00 0.00 O ATOM 151 CB PHE A 10 -4.588 3.847 0.991 1.00 0.00 C ATOM 152 CG PHE A 10 -3.409 4.772 0.759 1.00 0.00 C ATOM 153 CD1 PHE A 10 -3.477 6.094 1.236 1.00 0.00 C ATOM 154 CD2 PHE A 10 -2.161 4.253 0.368 1.00 0.00 C ATOM 155 CE1 PHE A 10 -2.320 6.686 1.757 1.00 0.00 C ATOM 156 CE2 PHE A 10 -0.997 4.998 0.626 1.00 0.00 C ATOM 157 CZ PHE A 10 -1.071 6.142 1.438 1.00 0.00 C ATOM 0 H PHE A 10 -6.453 2.439 1.694 1.00 0.00 H new ATOM 0 HA PHE A 10 -3.858 2.585 2.574 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -4.527 3.019 0.284 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -5.507 4.389 0.768 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -4.406 6.643 1.201 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -2.098 3.294 -0.124 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -2.391 7.553 2.398 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -0.052 4.693 0.202 1.00 0.00 H new ATOM 0 HZ PHE A 10 -0.168 6.599 1.814 1.00 0.00 H new ATOM 167 N GLU A 11 -5.619 5.274 3.449 1.00 0.00 N ATOM 168 CA GLU A 11 -5.672 6.421 4.336 1.00 0.00 C ATOM 169 C GLU A 11 -5.581 5.987 5.792 1.00 0.00 C ATOM 170 O GLU A 11 -4.782 6.530 6.547 1.00 0.00 O ATOM 171 CB GLU A 11 -6.941 7.235 4.056 1.00 0.00 C ATOM 172 CG GLU A 11 -6.897 8.609 4.745 1.00 0.00 C ATOM 173 CD GLU A 11 -7.229 8.578 6.238 1.00 0.00 C ATOM 174 OE1 GLU A 11 -8.066 7.735 6.627 1.00 0.00 O ATOM 175 OE2 GLU A 11 -6.649 9.415 6.962 1.00 0.00 O ATOM 0 H GLU A 11 -6.427 5.197 2.832 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.812 7.062 4.145 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -7.057 7.370 2.981 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -7.813 6.681 4.403 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -5.902 9.035 4.615 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -7.598 9.276 4.243 1.00 0.00 H new ATOM 182 N LYS A 12 -6.396 5.016 6.199 1.00 0.00 N ATOM 183 CA LYS A 12 -6.416 4.518 7.543 1.00 0.00 C ATOM 184 C LYS A 12 -5.027 4.026 7.947 1.00 0.00 C ATOM 185 O LYS A 12 -4.499 4.474 8.962 1.00 0.00 O ATOM 186 CB LYS A 12 -7.474 3.417 7.611 1.00 0.00 C ATOM 187 CG LYS A 12 -8.891 3.997 7.720 1.00 0.00 C ATOM 188 CD LYS A 12 -9.943 2.918 8.015 1.00 0.00 C ATOM 189 CE LYS A 12 -9.992 1.831 6.935 1.00 0.00 C ATOM 190 NZ LYS A 12 -11.122 0.912 7.145 1.00 0.00 N ATOM 0 H LYS A 12 -7.066 4.556 5.583 1.00 0.00 H new ATOM 0 HA LYS A 12 -6.677 5.303 8.253 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -7.405 2.790 6.722 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -7.277 2.775 8.470 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -8.914 4.748 8.509 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -9.146 4.504 6.790 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -9.725 2.458 8.979 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -10.924 3.386 8.099 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -10.078 2.296 5.953 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -9.058 1.269 6.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -11.125 0.189 6.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -11.026 0.450 8.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -12.014 1.446 7.115 1.00 0.00 H new ATOM 204 N TYR A 13 -4.411 3.124 7.177 1.00 0.00 N ATOM 205 CA TYR A 13 -3.101 2.623 7.555 1.00 0.00 C ATOM 206 C TYR A 13 -2.083 3.766 7.539 1.00 0.00 C ATOM 207 O TYR A 13 -1.288 3.891 8.468 1.00 0.00 O ATOM 208 CB TYR A 13 -2.727 1.407 6.708 1.00 0.00 C ATOM 209 CG TYR A 13 -3.386 0.130 7.206 1.00 0.00 C ATOM 210 CD1 TYR A 13 -4.753 -0.090 6.959 1.00 0.00 C ATOM 211 CD2 TYR A 13 -2.635 -0.862 7.869 1.00 0.00 C ATOM 212 CE1 TYR A 13 -5.352 -1.309 7.300 1.00 0.00 C ATOM 213 CE2 TYR A 13 -3.265 -2.043 8.299 1.00 0.00 C ATOM 214 CZ TYR A 13 -4.606 -2.289 7.969 1.00 0.00 C ATOM 215 OH TYR A 13 -5.159 -3.505 8.232 1.00 0.00 O ATOM 0 H TYR A 13 -4.791 2.739 6.313 1.00 0.00 H new ATOM 0 HA TYR A 13 -3.111 2.255 8.581 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -3.020 1.584 5.673 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -1.644 1.281 6.716 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -5.346 0.688 6.502 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -1.580 -0.715 8.046 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -6.386 -1.493 7.048 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -2.714 -2.764 8.886 1.00 0.00 H new ATOM 0 HH TYR A 13 -5.876 -3.684 7.589 1.00 0.00 H new ATOM 225 N ALA A 14 -2.107 4.630 6.519 1.00 0.00 N ATOM 226 CA ALA A 14 -1.201 5.772 6.483 1.00 0.00 C ATOM 227 C ALA A 14 -1.327 6.600 7.776 1.00 0.00 C ATOM 228 O ALA A 14 -0.331 6.952 8.412 1.00 0.00 O ATOM 229 CB ALA A 14 -1.514 6.590 5.232 1.00 0.00 C ATOM 0 H ALA A 14 -2.736 4.559 5.720 1.00 0.00 H new ATOM 0 HA ALA A 14 -0.164 5.441 6.432 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -0.847 7.451 5.184 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -1.371 5.970 4.347 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -2.548 6.933 5.271 1.00 0.00 H new ATOM 235 N ALA A 15 -2.566 6.885 8.182 1.00 0.00 N ATOM 236 CA ALA A 15 -2.882 7.638 9.385 1.00 0.00 C ATOM 237 C ALA A 15 -2.345 6.919 10.623 1.00 0.00 C ATOM 238 O ALA A 15 -1.756 7.561 11.486 1.00 0.00 O ATOM 239 CB ALA A 15 -4.391 7.875 9.483 1.00 0.00 C ATOM 0 H ALA A 15 -3.394 6.588 7.666 1.00 0.00 H new ATOM 0 HA ALA A 15 -2.394 8.611 9.331 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -4.613 8.440 10.389 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -4.728 8.438 8.613 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.908 6.916 9.518 1.00 0.00 H new ATOM 245 N LYS A 16 -2.543 5.596 10.711 1.00 0.00 N ATOM 246 CA LYS A 16 -2.045 4.767 11.804 1.00 0.00 C ATOM 247 C LYS A 16 -0.595 5.120 12.146 1.00 0.00 C ATOM 248 O LYS A 16 -0.267 5.342 13.308 1.00 0.00 O ATOM 249 CB LYS A 16 -2.133 3.281 11.413 1.00 0.00 C ATOM 250 CG LYS A 16 -2.657 2.369 12.527 1.00 0.00 C ATOM 251 CD LYS A 16 -4.145 2.566 12.856 1.00 0.00 C ATOM 252 CE LYS A 16 -5.032 2.417 11.615 1.00 0.00 C ATOM 253 NZ LYS A 16 -6.459 2.356 11.976 1.00 0.00 N ATOM 0 H LYS A 16 -3.063 5.069 10.010 1.00 0.00 H new ATOM 0 HA LYS A 16 -2.663 4.955 12.682 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -2.783 3.184 10.543 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -1.144 2.937 11.112 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -2.495 1.331 12.237 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -2.071 2.543 13.429 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -4.449 1.839 13.609 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -4.292 3.555 13.290 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -4.861 3.257 10.942 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -4.753 1.513 11.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -7.031 2.255 11.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -6.625 1.540 12.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -6.730 3.230 12.471 1.00 0.00 H new ATOM 267 N GLU A 17 0.266 5.160 11.125 1.00 0.00 N ATOM 268 CA GLU A 17 1.674 5.488 11.310 1.00 0.00 C ATOM 269 C GLU A 17 1.851 6.993 11.518 1.00 0.00 C ATOM 270 O GLU A 17 2.575 7.405 12.419 1.00 0.00 O ATOM 271 CB GLU A 17 2.526 4.930 10.156 1.00 0.00 C ATOM 272 CG GLU A 17 3.585 3.941 10.680 1.00 0.00 C ATOM 273 CD GLU A 17 4.865 4.643 11.120 1.00 0.00 C ATOM 274 OE1 GLU A 17 4.908 5.091 12.285 1.00 0.00 O ATOM 275 OE2 GLU A 17 5.776 4.718 10.264 1.00 0.00 O ATOM 0 H GLU A 17 0.006 4.967 10.158 1.00 0.00 H new ATOM 0 HA GLU A 17 2.037 5.003 12.216 1.00 0.00 H new ATOM 0 HB2 GLU A 17 1.882 4.430 9.433 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.017 5.750 9.632 1.00 0.00 H new ATOM 0 HG2 GLU A 17 3.173 3.382 11.520 1.00 0.00 H new ATOM 0 HG3 GLU A 17 3.820 3.217 9.900 1.00 0.00 H new ATOM 282 N GLY A 18 1.202 7.829 10.702 1.00 0.00 N ATOM 283 CA GLY A 18 1.315 9.266 10.887 1.00 0.00 C ATOM 284 C GLY A 18 0.677 10.058 9.755 1.00 0.00 C ATOM 285 O GLY A 18 -0.503 10.385 9.808 1.00 0.00 O ATOM 0 H GLY A 18 0.608 7.538 9.926 1.00 0.00 H new ATOM 0 HA2 GLY A 18 0.844 9.545 11.830 1.00 0.00 H new ATOM 0 HA3 GLY A 18 2.368 9.536 10.965 1.00 0.00 H new ATOM 289 N ASP A 19 1.464 10.394 8.730 1.00 0.00 N ATOM 290 CA ASP A 19 0.993 11.190 7.604 1.00 0.00 C ATOM 291 C ASP A 19 -0.119 10.427 6.872 1.00 0.00 C ATOM 292 O ASP A 19 0.174 9.384 6.293 1.00 0.00 O ATOM 293 CB ASP A 19 2.172 11.507 6.672 1.00 0.00 C ATOM 294 CG ASP A 19 1.802 12.506 5.578 1.00 0.00 C ATOM 295 OD1 ASP A 19 0.673 12.394 5.050 1.00 0.00 O ATOM 296 OD2 ASP A 19 2.659 13.370 5.291 1.00 0.00 O ATOM 0 H ASP A 19 2.444 10.120 8.661 1.00 0.00 H new ATOM 0 HA ASP A 19 0.580 12.135 7.955 1.00 0.00 H new ATOM 0 HB2 ASP A 19 2.998 11.907 7.260 1.00 0.00 H new ATOM 0 HB3 ASP A 19 2.525 10.584 6.212 1.00 0.00 H new ATOM 301 N PRO A 20 -1.375 10.909 6.859 1.00 0.00 N ATOM 302 CA PRO A 20 -2.483 10.202 6.231 1.00 0.00 C ATOM 303 C PRO A 20 -2.316 9.998 4.723 1.00 0.00 C ATOM 304 O PRO A 20 -3.049 9.205 4.140 1.00 0.00 O ATOM 305 CB PRO A 20 -3.740 11.006 6.573 1.00 0.00 C ATOM 306 CG PRO A 20 -3.207 12.416 6.811 1.00 0.00 C ATOM 307 CD PRO A 20 -1.843 12.155 7.447 1.00 0.00 C ATOM 0 HA PRO A 20 -2.539 9.183 6.615 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -4.465 10.983 5.759 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -4.241 10.612 7.457 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -3.120 12.978 5.881 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -3.858 12.989 7.470 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -1.151 12.971 7.241 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -1.924 12.072 8.531 1.00 0.00 H new ATOM 315 N ASN A 21 -1.374 10.689 4.073 1.00 0.00 N ATOM 316 CA ASN A 21 -1.127 10.545 2.651 1.00 0.00 C ATOM 317 C ASN A 21 -0.018 9.524 2.371 1.00 0.00 C ATOM 318 O ASN A 21 0.100 9.095 1.224 1.00 0.00 O ATOM 319 CB ASN A 21 -0.803 11.925 2.069 1.00 0.00 C ATOM 320 CG ASN A 21 -0.391 11.841 0.606 1.00 0.00 C ATOM 321 OD1 ASN A 21 -1.215 11.686 -0.285 1.00 0.00 O ATOM 322 ND2 ASN A 21 0.897 11.942 0.331 1.00 0.00 N ATOM 0 H ASN A 21 -0.762 11.366 4.529 1.00 0.00 H new ATOM 0 HA ASN A 21 -2.020 10.155 2.163 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -1.674 12.573 2.164 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -0.000 12.383 2.647 1.00 0.00 H new ATOM 0 HD21 ASN A 21 1.218 11.891 -0.636 1.00 0.00 H new ATOM 0 HD22 ASN A 21 1.571 12.071 1.086 1.00 0.00 H new ATOM 329 N GLN A 22 0.787 9.116 3.369 1.00 0.00 N ATOM 330 CA GLN A 22 1.890 8.179 3.143 1.00 0.00 C ATOM 331 C GLN A 22 1.843 6.876 3.950 1.00 0.00 C ATOM 332 O GLN A 22 1.614 6.874 5.154 1.00 0.00 O ATOM 333 CB GLN A 22 3.253 8.818 3.421 1.00 0.00 C ATOM 334 CG GLN A 22 3.787 9.801 2.373 1.00 0.00 C ATOM 335 CD GLN A 22 3.606 11.216 2.886 1.00 0.00 C ATOM 336 OE1 GLN A 22 2.713 11.938 2.464 1.00 0.00 O ATOM 337 NE2 GLN A 22 4.450 11.631 3.814 1.00 0.00 N ATOM 0 H GLN A 22 0.690 9.423 4.337 1.00 0.00 H new ATOM 0 HA GLN A 22 1.760 7.926 2.091 1.00 0.00 H new ATOM 0 HB2 GLN A 22 3.194 9.340 4.376 1.00 0.00 H new ATOM 0 HB3 GLN A 22 3.984 8.018 3.539 1.00 0.00 H new ATOM 0 HG2 GLN A 22 4.841 9.604 2.175 1.00 0.00 H new ATOM 0 HG3 GLN A 22 3.256 9.672 1.430 1.00 0.00 H new ATOM 0 HE21 GLN A 22 5.186 11.009 4.149 1.00 0.00 H new ATOM 0 HE22 GLN A 22 4.366 12.573 4.196 1.00 0.00 H new ATOM 346 N LEU A 23 2.133 5.765 3.270 1.00 0.00 N ATOM 347 CA LEU A 23 2.265 4.429 3.833 1.00 0.00 C ATOM 348 C LEU A 23 3.755 4.160 4.034 1.00 0.00 C ATOM 349 O LEU A 23 4.462 3.888 3.068 1.00 0.00 O ATOM 350 CB LEU A 23 1.746 3.394 2.833 1.00 0.00 C ATOM 351 CG LEU A 23 0.263 3.055 2.958 1.00 0.00 C ATOM 352 CD1 LEU A 23 -0.081 2.072 1.829 1.00 0.00 C ATOM 353 CD2 LEU A 23 -0.106 2.419 4.299 1.00 0.00 C ATOM 0 H LEU A 23 2.289 5.778 2.262 1.00 0.00 H new ATOM 0 HA LEU A 23 1.705 4.362 4.766 1.00 0.00 H new ATOM 0 HB2 LEU A 23 1.934 3.761 1.824 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.323 2.477 2.951 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.302 3.985 2.891 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.137 1.806 1.887 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.123 2.539 0.865 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.526 1.172 1.932 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.175 2.205 4.318 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.453 1.492 4.428 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.141 3.107 5.108 1.00 0.00 H new ATOM 365 N SER A 24 4.263 4.226 5.259 1.00 0.00 N ATOM 366 CA SER A 24 5.682 3.981 5.488 1.00 0.00 C ATOM 367 C SER A 24 6.026 2.523 5.175 1.00 0.00 C ATOM 368 O SER A 24 5.139 1.674 5.132 1.00 0.00 O ATOM 369 CB SER A 24 6.061 4.344 6.927 1.00 0.00 C ATOM 370 OG SER A 24 5.447 3.461 7.842 1.00 0.00 O ATOM 0 H SER A 24 3.724 4.444 6.097 1.00 0.00 H new ATOM 0 HA SER A 24 6.262 4.616 4.818 1.00 0.00 H new ATOM 0 HB2 SER A 24 7.144 4.303 7.045 1.00 0.00 H new ATOM 0 HB3 SER A 24 5.756 5.368 7.142 1.00 0.00 H new ATOM 0 HG SER A 24 5.530 3.821 8.750 1.00 0.00 H new ATOM 376 N LYS A 25 7.311 2.217 4.975 1.00 0.00 N ATOM 377 CA LYS A 25 7.765 0.842 4.770 1.00 0.00 C ATOM 378 C LYS A 25 7.220 -0.023 5.905 1.00 0.00 C ATOM 379 O LYS A 25 6.663 -1.099 5.689 1.00 0.00 O ATOM 380 CB LYS A 25 9.298 0.847 4.656 1.00 0.00 C ATOM 381 CG LYS A 25 10.008 -0.515 4.738 1.00 0.00 C ATOM 382 CD LYS A 25 10.219 -1.105 6.144 1.00 0.00 C ATOM 383 CE LYS A 25 10.907 -0.124 7.101 1.00 0.00 C ATOM 384 NZ LYS A 25 11.211 -0.764 8.393 1.00 0.00 N ATOM 0 H LYS A 25 8.059 2.910 4.951 1.00 0.00 H new ATOM 0 HA LYS A 25 7.387 0.410 3.843 1.00 0.00 H new ATOM 0 HB2 LYS A 25 9.566 1.312 3.707 1.00 0.00 H new ATOM 0 HB3 LYS A 25 9.695 1.484 5.447 1.00 0.00 H new ATOM 0 HG2 LYS A 25 9.435 -1.233 4.151 1.00 0.00 H new ATOM 0 HG3 LYS A 25 10.983 -0.419 4.260 1.00 0.00 H new ATOM 0 HD2 LYS A 25 9.254 -1.396 6.560 1.00 0.00 H new ATOM 0 HD3 LYS A 25 10.819 -2.012 6.067 1.00 0.00 H new ATOM 0 HE2 LYS A 25 11.828 0.244 6.649 1.00 0.00 H new ATOM 0 HE3 LYS A 25 10.264 0.741 7.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 11.676 -0.077 9.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 10.328 -1.093 8.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 11.844 -1.575 8.238 1.00 0.00 H new ATOM 398 N GLU A 26 7.374 0.489 7.125 1.00 0.00 N ATOM 399 CA GLU A 26 6.869 -0.139 8.333 1.00 0.00 C ATOM 400 C GLU A 26 5.361 -0.380 8.190 1.00 0.00 C ATOM 401 O GLU A 26 4.885 -1.494 8.392 1.00 0.00 O ATOM 402 CB GLU A 26 7.189 0.758 9.537 1.00 0.00 C ATOM 403 CG GLU A 26 6.756 0.121 10.863 1.00 0.00 C ATOM 404 CD GLU A 26 7.048 1.055 12.032 1.00 0.00 C ATOM 405 OE1 GLU A 26 6.183 1.918 12.295 1.00 0.00 O ATOM 406 OE2 GLU A 26 8.136 0.899 12.625 1.00 0.00 O ATOM 0 H GLU A 26 7.863 1.367 7.299 1.00 0.00 H new ATOM 0 HA GLU A 26 7.349 -1.105 8.491 1.00 0.00 H new ATOM 0 HB2 GLU A 26 8.260 0.958 9.564 1.00 0.00 H new ATOM 0 HB3 GLU A 26 6.688 1.718 9.416 1.00 0.00 H new ATOM 0 HG2 GLU A 26 5.691 -0.107 10.831 1.00 0.00 H new ATOM 0 HG3 GLU A 26 7.280 -0.824 11.006 1.00 0.00 H new ATOM 413 N GLU A 27 4.598 0.660 7.844 1.00 0.00 N ATOM 414 CA GLU A 27 3.155 0.546 7.704 1.00 0.00 C ATOM 415 C GLU A 27 2.746 -0.482 6.651 1.00 0.00 C ATOM 416 O GLU A 27 1.807 -1.249 6.861 1.00 0.00 O ATOM 417 CB GLU A 27 2.557 1.915 7.365 1.00 0.00 C ATOM 418 CG GLU A 27 1.040 1.953 7.583 1.00 0.00 C ATOM 419 CD GLU A 27 0.605 1.662 9.020 1.00 0.00 C ATOM 420 OE1 GLU A 27 1.395 1.960 9.941 1.00 0.00 O ATOM 421 OE2 GLU A 27 -0.514 1.131 9.178 1.00 0.00 O ATOM 0 H GLU A 27 4.964 1.593 7.656 1.00 0.00 H new ATOM 0 HA GLU A 27 2.763 0.195 8.659 1.00 0.00 H new ATOM 0 HB2 GLU A 27 3.030 2.679 7.981 1.00 0.00 H new ATOM 0 HB3 GLU A 27 2.780 2.160 6.326 1.00 0.00 H new ATOM 0 HG2 GLU A 27 0.667 2.936 7.295 1.00 0.00 H new ATOM 0 HG3 GLU A 27 0.571 1.227 6.919 1.00 0.00 H new ATOM 428 N LEU A 28 3.432 -0.499 5.507 1.00 0.00 N ATOM 429 CA LEU A 28 3.102 -1.430 4.444 1.00 0.00 C ATOM 430 C LEU A 28 3.072 -2.859 4.983 1.00 0.00 C ATOM 431 O LEU A 28 2.174 -3.621 4.644 1.00 0.00 O ATOM 432 CB LEU A 28 4.081 -1.280 3.274 1.00 0.00 C ATOM 433 CG LEU A 28 3.586 -2.022 2.019 1.00 0.00 C ATOM 434 CD1 LEU A 28 2.337 -1.377 1.404 1.00 0.00 C ATOM 435 CD2 LEU A 28 4.689 -2.071 0.963 1.00 0.00 C ATOM 0 H LEU A 28 4.215 0.121 5.300 1.00 0.00 H new ATOM 0 HA LEU A 28 2.106 -1.199 4.065 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.213 -0.223 3.043 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.057 -1.668 3.565 1.00 0.00 H new ATOM 0 HG LEU A 28 3.320 -3.029 2.340 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.033 -1.941 0.523 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.528 -1.381 2.135 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.562 -0.350 1.117 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.325 -2.598 0.081 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.974 -1.056 0.687 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.556 -2.594 1.367 1.00 0.00 H new ATOM 447 N LYS A 29 4.037 -3.218 5.833 1.00 0.00 N ATOM 448 CA LYS A 29 4.108 -4.555 6.413 1.00 0.00 C ATOM 449 C LYS A 29 2.757 -4.957 7.013 1.00 0.00 C ATOM 450 O LYS A 29 2.114 -5.882 6.514 1.00 0.00 O ATOM 451 CB LYS A 29 5.234 -4.628 7.453 1.00 0.00 C ATOM 452 CG LYS A 29 5.354 -6.000 8.129 1.00 0.00 C ATOM 453 CD LYS A 29 5.928 -7.056 7.173 1.00 0.00 C ATOM 454 CE LYS A 29 6.026 -8.440 7.821 1.00 0.00 C ATOM 455 NZ LYS A 29 6.981 -8.460 8.944 1.00 0.00 N ATOM 0 H LYS A 29 4.784 -2.593 6.135 1.00 0.00 H new ATOM 0 HA LYS A 29 4.340 -5.269 5.622 1.00 0.00 H new ATOM 0 HB2 LYS A 29 6.181 -4.386 6.970 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.063 -3.869 8.217 1.00 0.00 H new ATOM 0 HG2 LYS A 29 5.994 -5.918 9.007 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.373 -6.321 8.478 1.00 0.00 H new ATOM 0 HD2 LYS A 29 5.299 -7.118 6.285 1.00 0.00 H new ATOM 0 HD3 LYS A 29 6.918 -6.742 6.842 1.00 0.00 H new ATOM 0 HE2 LYS A 29 5.042 -8.744 8.177 1.00 0.00 H new ATOM 0 HE3 LYS A 29 6.333 -9.170 7.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 7.092 -9.435 9.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 7.902 -8.099 8.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 6.623 -7.860 9.715 1.00 0.00 H new ATOM 469 N LEU A 30 2.335 -4.276 8.084 1.00 0.00 N ATOM 470 CA LEU A 30 1.061 -4.559 8.739 1.00 0.00 C ATOM 471 C LEU A 30 -0.089 -4.546 7.730 1.00 0.00 C ATOM 472 O LEU A 30 -0.932 -5.443 7.742 1.00 0.00 O ATOM 473 CB LEU A 30 0.738 -3.640 9.932 1.00 0.00 C ATOM 474 CG LEU A 30 1.461 -2.297 10.090 1.00 0.00 C ATOM 475 CD1 LEU A 30 0.610 -1.378 10.976 1.00 0.00 C ATOM 476 CD2 LEU A 30 2.834 -2.439 10.755 1.00 0.00 C ATOM 0 H LEU A 30 2.865 -3.519 8.516 1.00 0.00 H new ATOM 0 HA LEU A 30 1.172 -5.560 9.157 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.331 -3.429 9.897 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.920 -4.214 10.841 1.00 0.00 H new ATOM 0 HG LEU A 30 1.604 -1.890 9.089 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.114 -0.419 11.096 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -0.362 -1.221 10.509 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.473 -1.840 11.954 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.300 -1.457 10.841 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.714 -2.872 11.748 1.00 0.00 H new ATOM 0 HD23 LEU A 30 3.466 -3.089 10.150 1.00 0.00 H new ATOM 488 N LEU A 31 -0.125 -3.531 6.867 1.00 0.00 N ATOM 489 CA LEU A 31 -1.151 -3.387 5.841 1.00 0.00 C ATOM 490 C LEU A 31 -1.309 -4.691 5.058 1.00 0.00 C ATOM 491 O LEU A 31 -2.390 -5.275 5.015 1.00 0.00 O ATOM 492 CB LEU A 31 -0.802 -2.229 4.896 1.00 0.00 C ATOM 493 CG LEU A 31 -2.018 -1.483 4.332 1.00 0.00 C ATOM 494 CD1 LEU A 31 -1.579 -0.666 3.122 1.00 0.00 C ATOM 495 CD2 LEU A 31 -3.209 -2.345 3.932 1.00 0.00 C ATOM 0 H LEU A 31 0.565 -2.780 6.863 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.100 -3.161 6.327 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.170 -1.519 5.429 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.213 -2.619 4.066 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.376 -0.865 5.156 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.437 -0.132 2.713 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.815 0.051 3.424 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.171 -1.332 2.362 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.006 -1.708 3.548 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.904 -3.051 3.159 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -3.570 -2.893 4.802 1.00 0.00 H new ATOM 507 N LEU A 32 -0.221 -5.152 4.441 1.00 0.00 N ATOM 508 CA LEU A 32 -0.249 -6.354 3.626 1.00 0.00 C ATOM 509 C LEU A 32 -0.608 -7.567 4.470 1.00 0.00 C ATOM 510 O LEU A 32 -1.428 -8.386 4.069 1.00 0.00 O ATOM 511 CB LEU A 32 1.101 -6.608 2.950 1.00 0.00 C ATOM 512 CG LEU A 32 1.592 -5.485 2.033 1.00 0.00 C ATOM 513 CD1 LEU A 32 3.039 -5.773 1.622 1.00 0.00 C ATOM 514 CD2 LEU A 32 0.717 -5.332 0.789 1.00 0.00 C ATOM 0 H LEU A 32 0.694 -4.704 4.494 1.00 0.00 H new ATOM 0 HA LEU A 32 -1.006 -6.199 2.858 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.850 -6.778 3.723 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.030 -7.527 2.367 1.00 0.00 H new ATOM 0 HG LEU A 32 1.533 -4.547 2.585 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.397 -4.978 0.968 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.667 -5.822 2.512 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.084 -6.725 1.093 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.104 -4.523 0.169 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.727 -6.262 0.221 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.305 -5.101 1.089 1.00 0.00 H new ATOM 526 N GLN A 33 0.012 -7.678 5.641 1.00 0.00 N ATOM 527 CA GLN A 33 -0.174 -8.782 6.557 1.00 0.00 C ATOM 528 C GLN A 33 -1.650 -8.938 6.920 1.00 0.00 C ATOM 529 O GLN A 33 -2.160 -10.052 6.985 1.00 0.00 O ATOM 530 CB GLN A 33 0.659 -8.467 7.803 1.00 0.00 C ATOM 531 CG GLN A 33 2.093 -9.015 7.851 1.00 0.00 C ATOM 532 CD GLN A 33 2.717 -9.369 6.505 1.00 0.00 C ATOM 533 OE1 GLN A 33 3.002 -10.526 6.236 1.00 0.00 O ATOM 534 NE2 GLN A 33 2.957 -8.402 5.636 1.00 0.00 N ATOM 0 H GLN A 33 0.674 -6.980 5.981 1.00 0.00 H new ATOM 0 HA GLN A 33 0.144 -9.721 6.104 1.00 0.00 H new ATOM 0 HB2 GLN A 33 0.709 -7.383 7.910 1.00 0.00 H new ATOM 0 HB3 GLN A 33 0.123 -8.849 8.672 1.00 0.00 H new ATOM 0 HG2 GLN A 33 2.727 -8.276 8.340 1.00 0.00 H new ATOM 0 HG3 GLN A 33 2.100 -9.906 8.478 1.00 0.00 H new ATOM 0 HE21 GLN A 33 2.717 -7.438 5.867 1.00 0.00 H new ATOM 0 HE22 GLN A 33 3.382 -8.620 4.735 1.00 0.00 H new ATOM 543 N THR A 34 -2.326 -7.821 7.173 1.00 0.00 N ATOM 544 CA THR A 34 -3.720 -7.818 7.574 1.00 0.00 C ATOM 545 C THR A 34 -4.667 -7.968 6.380 1.00 0.00 C ATOM 546 O THR A 34 -5.593 -8.773 6.428 1.00 0.00 O ATOM 547 CB THR A 34 -4.008 -6.533 8.365 1.00 0.00 C ATOM 548 OG1 THR A 34 -3.006 -6.339 9.344 1.00 0.00 O ATOM 549 CG2 THR A 34 -5.365 -6.603 9.072 1.00 0.00 C ATOM 0 H THR A 34 -1.915 -6.890 7.104 1.00 0.00 H new ATOM 0 HA THR A 34 -3.902 -8.684 8.210 1.00 0.00 H new ATOM 0 HB THR A 34 -4.019 -5.706 7.655 1.00 0.00 H new ATOM 0 HG1 THR A 34 -2.197 -5.984 8.919 1.00 0.00 H new ATOM 0 HG21 THR A 34 -5.537 -5.678 9.622 1.00 0.00 H new ATOM 0 HG22 THR A 34 -6.154 -6.737 8.332 1.00 0.00 H new ATOM 0 HG23 THR A 34 -5.371 -7.444 9.766 1.00 0.00 H new ATOM 557 N GLU A 35 -4.466 -7.184 5.318 1.00 0.00 N ATOM 558 CA GLU A 35 -5.372 -7.164 4.176 1.00 0.00 C ATOM 559 C GLU A 35 -5.154 -8.280 3.152 1.00 0.00 C ATOM 560 O GLU A 35 -6.135 -8.770 2.598 1.00 0.00 O ATOM 561 CB GLU A 35 -5.344 -5.785 3.505 1.00 0.00 C ATOM 562 CG GLU A 35 -5.626 -4.636 4.487 1.00 0.00 C ATOM 563 CD GLU A 35 -6.963 -4.734 5.215 1.00 0.00 C ATOM 564 OE1 GLU A 35 -7.952 -5.119 4.554 1.00 0.00 O ATOM 565 OE2 GLU A 35 -6.973 -4.391 6.419 1.00 0.00 O ATOM 0 H GLU A 35 -3.673 -6.549 5.229 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.363 -7.362 4.585 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -4.369 -5.631 3.044 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -6.083 -5.761 2.704 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -4.826 -4.604 5.227 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -5.593 -3.693 3.941 1.00 0.00 H new ATOM 572 N PHE A 36 -3.917 -8.693 2.859 1.00 0.00 N ATOM 573 CA PHE A 36 -3.708 -9.728 1.853 1.00 0.00 C ATOM 574 C PHE A 36 -2.342 -10.382 2.102 1.00 0.00 C ATOM 575 O PHE A 36 -1.400 -10.165 1.337 1.00 0.00 O ATOM 576 CB PHE A 36 -3.797 -9.150 0.423 1.00 0.00 C ATOM 577 CG PHE A 36 -3.817 -7.640 0.276 1.00 0.00 C ATOM 578 CD1 PHE A 36 -2.589 -6.975 0.125 1.00 0.00 C ATOM 579 CD2 PHE A 36 -5.021 -6.941 0.055 1.00 0.00 C ATOM 580 CE1 PHE A 36 -2.555 -5.682 -0.421 1.00 0.00 C ATOM 581 CE2 PHE A 36 -4.986 -5.603 -0.378 1.00 0.00 C ATOM 582 CZ PHE A 36 -3.753 -4.984 -0.650 1.00 0.00 C ATOM 0 H PHE A 36 -3.067 -8.335 3.294 1.00 0.00 H new ATOM 0 HA PHE A 36 -4.494 -10.478 1.937 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.950 -9.532 -0.147 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -4.699 -9.545 -0.044 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -1.672 -7.458 0.429 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -5.969 -7.432 0.218 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -1.608 -5.224 -0.665 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -5.906 -5.051 -0.502 1.00 0.00 H new ATOM 0 HZ PHE A 36 -3.727 -3.975 -1.034 1.00 0.00 H new ATOM 592 N PRO A 37 -2.211 -11.201 3.157 1.00 0.00 N ATOM 593 CA PRO A 37 -0.957 -11.869 3.473 1.00 0.00 C ATOM 594 C PRO A 37 -0.493 -12.788 2.337 1.00 0.00 C ATOM 595 O PRO A 37 0.675 -13.150 2.274 1.00 0.00 O ATOM 596 CB PRO A 37 -1.202 -12.629 4.781 1.00 0.00 C ATOM 597 CG PRO A 37 -2.721 -12.802 4.832 1.00 0.00 C ATOM 598 CD PRO A 37 -3.243 -11.554 4.121 1.00 0.00 C ATOM 0 HA PRO A 37 -0.146 -11.151 3.591 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -0.691 -13.592 4.785 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -0.835 -12.070 5.642 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -3.039 -13.714 4.328 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -3.085 -12.862 5.858 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -4.193 -11.752 3.625 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -3.416 -10.742 4.827 1.00 0.00 H new ATOM 606 N SER A 38 -1.391 -13.174 1.430 1.00 0.00 N ATOM 607 CA SER A 38 -1.093 -14.034 0.304 1.00 0.00 C ATOM 608 C SER A 38 -0.382 -13.327 -0.851 1.00 0.00 C ATOM 609 O SER A 38 0.276 -14.004 -1.637 1.00 0.00 O ATOM 610 CB SER A 38 -2.413 -14.663 -0.143 1.00 0.00 C ATOM 611 OG SER A 38 -3.367 -13.630 -0.328 1.00 0.00 O ATOM 0 H SER A 38 -2.369 -12.885 1.467 1.00 0.00 H new ATOM 0 HA SER A 38 -0.380 -14.795 0.622 1.00 0.00 H new ATOM 0 HB2 SER A 38 -2.272 -15.219 -1.070 1.00 0.00 H new ATOM 0 HB3 SER A 38 -2.765 -15.374 0.604 1.00 0.00 H new ATOM 0 HG SER A 38 -4.219 -14.019 -0.617 1.00 0.00 H new ATOM 617 N LEU A 39 -0.492 -12.000 -0.993 1.00 0.00 N ATOM 618 CA LEU A 39 0.158 -11.291 -2.084 1.00 0.00 C ATOM 619 C LEU A 39 1.667 -11.515 -2.055 1.00 0.00 C ATOM 620 O LEU A 39 2.292 -11.807 -3.073 1.00 0.00 O ATOM 621 CB LEU A 39 -0.213 -9.801 -2.010 1.00 0.00 C ATOM 622 CG LEU A 39 -1.098 -9.430 -3.205 1.00 0.00 C ATOM 623 CD1 LEU A 39 -1.724 -8.047 -3.016 1.00 0.00 C ATOM 624 CD2 LEU A 39 -0.295 -9.421 -4.516 1.00 0.00 C ATOM 0 H LEU A 39 -1.027 -11.403 -0.362 1.00 0.00 H new ATOM 0 HA LEU A 39 -0.193 -11.682 -3.039 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.738 -9.593 -1.078 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.690 -9.191 -2.010 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.880 -10.187 -3.262 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.347 -7.809 -3.878 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.336 -8.045 -2.114 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.935 -7.301 -2.921 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.952 -9.154 -5.343 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.512 -8.692 -4.444 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.126 -10.411 -4.692 1.00 0.00 H new ATOM 636 N LEU A 40 2.259 -11.401 -0.870 1.00 0.00 N ATOM 637 CA LEU A 40 3.683 -11.604 -0.655 1.00 0.00 C ATOM 638 C LEU A 40 3.965 -13.110 -0.550 1.00 0.00 C ATOM 639 O LEU A 40 4.467 -13.588 0.461 1.00 0.00 O ATOM 640 CB LEU A 40 4.137 -10.794 0.569 1.00 0.00 C ATOM 641 CG LEU A 40 3.266 -11.015 1.818 1.00 0.00 C ATOM 642 CD1 LEU A 40 4.114 -11.166 3.080 1.00 0.00 C ATOM 643 CD2 LEU A 40 2.310 -9.838 2.042 1.00 0.00 C ATOM 0 H LEU A 40 1.751 -11.161 -0.019 1.00 0.00 H new ATOM 0 HA LEU A 40 4.270 -11.236 -1.497 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.168 -11.057 0.805 1.00 0.00 H new ATOM 0 HB3 LEU A 40 4.129 -9.734 0.315 1.00 0.00 H new ATOM 0 HG LEU A 40 2.705 -11.932 1.637 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.462 -11.320 3.940 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.780 -12.022 2.971 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.706 -10.263 3.231 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.708 -10.023 2.931 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.886 -8.922 2.177 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.656 -9.731 1.177 1.00 0.00 H new ATOM 655 N LYS A 41 3.621 -13.846 -1.613 1.00 0.00 N ATOM 656 CA LYS A 41 3.739 -15.297 -1.731 1.00 0.00 C ATOM 657 C LYS A 41 5.059 -15.850 -1.184 1.00 0.00 C ATOM 658 O LYS A 41 5.065 -16.629 -0.236 1.00 0.00 O ATOM 659 CB LYS A 41 3.549 -15.726 -3.195 1.00 0.00 C ATOM 660 CG LYS A 41 2.135 -15.436 -3.718 1.00 0.00 C ATOM 661 CD LYS A 41 1.956 -15.733 -5.215 1.00 0.00 C ATOM 662 CE LYS A 41 2.203 -17.199 -5.601 1.00 0.00 C ATOM 663 NZ LYS A 41 3.624 -17.472 -5.888 1.00 0.00 N ATOM 0 H LYS A 41 3.233 -13.420 -2.455 1.00 0.00 H new ATOM 0 HA LYS A 41 2.949 -15.722 -1.112 1.00 0.00 H new ATOM 0 HB2 LYS A 41 4.276 -15.207 -3.819 1.00 0.00 H new ATOM 0 HB3 LYS A 41 3.754 -16.793 -3.286 1.00 0.00 H new ATOM 0 HG2 LYS A 41 1.419 -16.030 -3.151 1.00 0.00 H new ATOM 0 HG3 LYS A 41 1.897 -14.388 -3.534 1.00 0.00 H new ATOM 0 HD2 LYS A 41 0.944 -15.457 -5.510 1.00 0.00 H new ATOM 0 HD3 LYS A 41 2.637 -15.100 -5.783 1.00 0.00 H new ATOM 0 HE2 LYS A 41 1.868 -17.847 -4.791 1.00 0.00 H new ATOM 0 HE3 LYS A 41 1.604 -17.447 -6.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 3.704 -17.982 -6.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 4.144 -16.574 -5.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 4.027 -18.053 -5.125 1.00 0.00 H new ATOM 677 N GLY A 42 6.180 -15.464 -1.797 1.00 0.00 N ATOM 678 CA GLY A 42 7.493 -15.941 -1.388 1.00 0.00 C ATOM 679 C GLY A 42 8.555 -15.544 -2.407 1.00 0.00 C ATOM 680 O GLY A 42 9.232 -16.394 -2.976 1.00 0.00 O ATOM 0 H GLY A 42 6.199 -14.816 -2.585 1.00 0.00 H new ATOM 0 HA2 GLY A 42 7.747 -15.528 -0.412 1.00 0.00 H new ATOM 0 HA3 GLY A 42 7.474 -17.025 -1.280 1.00 0.00 H new ATOM 684 N GLY A 43 8.694 -14.241 -2.639 1.00 0.00 N ATOM 685 CA GLY A 43 9.666 -13.683 -3.569 1.00 0.00 C ATOM 686 C GLY A 43 9.582 -12.171 -3.432 1.00 0.00 C ATOM 687 O GLY A 43 10.550 -11.514 -3.051 1.00 0.00 O ATOM 0 H GLY A 43 8.123 -13.533 -2.177 1.00 0.00 H new ATOM 0 HA2 GLY A 43 10.671 -14.037 -3.338 1.00 0.00 H new ATOM 0 HA3 GLY A 43 9.446 -13.992 -4.591 1.00 0.00 H new ATOM 691 N SER A 44 8.381 -11.657 -3.717 1.00 0.00 N ATOM 692 CA SER A 44 7.955 -10.272 -3.606 1.00 0.00 C ATOM 693 C SER A 44 8.008 -9.835 -2.139 1.00 0.00 C ATOM 694 O SER A 44 6.987 -9.615 -1.494 1.00 0.00 O ATOM 695 CB SER A 44 6.525 -10.210 -4.149 1.00 0.00 C ATOM 696 OG SER A 44 6.469 -10.888 -5.390 1.00 0.00 O ATOM 0 H SER A 44 7.627 -12.253 -4.058 1.00 0.00 H new ATOM 0 HA SER A 44 8.604 -9.601 -4.169 1.00 0.00 H new ATOM 0 HB2 SER A 44 5.834 -10.666 -3.440 1.00 0.00 H new ATOM 0 HB3 SER A 44 6.215 -9.172 -4.273 1.00 0.00 H new ATOM 0 HG SER A 44 5.555 -10.853 -5.741 1.00 0.00 H new ATOM 702 N THR A 45 9.223 -9.743 -1.620 1.00 0.00 N ATOM 703 CA THR A 45 9.554 -9.402 -0.258 1.00 0.00 C ATOM 704 C THR A 45 9.237 -7.935 0.014 1.00 0.00 C ATOM 705 O THR A 45 9.154 -7.126 -0.910 1.00 0.00 O ATOM 706 CB THR A 45 11.034 -9.764 -0.031 1.00 0.00 C ATOM 707 OG1 THR A 45 11.766 -9.647 -1.240 1.00 0.00 O ATOM 708 CG2 THR A 45 11.165 -11.208 0.460 1.00 0.00 C ATOM 0 H THR A 45 10.055 -9.918 -2.183 1.00 0.00 H new ATOM 0 HA THR A 45 8.952 -9.966 0.454 1.00 0.00 H new ATOM 0 HB THR A 45 11.429 -9.076 0.716 1.00 0.00 H new ATOM 0 HG1 THR A 45 12.704 -9.879 -1.078 1.00 0.00 H new ATOM 0 HG21 THR A 45 12.217 -11.446 0.615 1.00 0.00 H new ATOM 0 HG22 THR A 45 10.625 -11.323 1.400 1.00 0.00 H new ATOM 0 HG23 THR A 45 10.746 -11.885 -0.285 1.00 0.00 H new ATOM 716 N LEU A 46 9.054 -7.603 1.298 1.00 0.00 N ATOM 717 CA LEU A 46 8.708 -6.268 1.763 1.00 0.00 C ATOM 718 C LEU A 46 9.556 -5.211 1.069 1.00 0.00 C ATOM 719 O LEU A 46 9.012 -4.260 0.531 1.00 0.00 O ATOM 720 CB LEU A 46 8.874 -6.180 3.289 1.00 0.00 C ATOM 721 CG LEU A 46 8.476 -4.807 3.867 1.00 0.00 C ATOM 722 CD1 LEU A 46 6.958 -4.595 3.821 1.00 0.00 C ATOM 723 CD2 LEU A 46 8.969 -4.697 5.313 1.00 0.00 C ATOM 0 H LEU A 46 9.147 -8.278 2.057 1.00 0.00 H new ATOM 0 HA LEU A 46 7.665 -6.076 1.512 1.00 0.00 H new ATOM 0 HB2 LEU A 46 8.267 -6.954 3.759 1.00 0.00 H new ATOM 0 HB3 LEU A 46 9.912 -6.388 3.547 1.00 0.00 H new ATOM 0 HG LEU A 46 8.941 -4.035 3.255 1.00 0.00 H new ATOM 0 HD11 LEU A 46 6.714 -3.617 4.236 1.00 0.00 H new ATOM 0 HD12 LEU A 46 6.615 -4.646 2.788 1.00 0.00 H new ATOM 0 HD13 LEU A 46 6.464 -5.371 4.406 1.00 0.00 H new ATOM 0 HD21 LEU A 46 8.687 -3.726 5.721 1.00 0.00 H new ATOM 0 HD22 LEU A 46 8.517 -5.487 5.913 1.00 0.00 H new ATOM 0 HD23 LEU A 46 10.054 -4.799 5.336 1.00 0.00 H new ATOM 735 N ASP A 47 10.877 -5.381 1.086 1.00 0.00 N ATOM 736 CA ASP A 47 11.821 -4.453 0.503 1.00 0.00 C ATOM 737 C ASP A 47 11.550 -4.285 -0.984 1.00 0.00 C ATOM 738 O ASP A 47 11.278 -3.180 -1.419 1.00 0.00 O ATOM 739 CB ASP A 47 13.260 -4.910 0.755 1.00 0.00 C ATOM 740 CG ASP A 47 14.243 -3.952 0.089 1.00 0.00 C ATOM 741 OD1 ASP A 47 14.433 -2.853 0.651 1.00 0.00 O ATOM 742 OD2 ASP A 47 14.770 -4.333 -0.979 1.00 0.00 O ATOM 0 H ASP A 47 11.323 -6.190 1.518 1.00 0.00 H new ATOM 0 HA ASP A 47 11.693 -3.483 0.983 1.00 0.00 H new ATOM 0 HB2 ASP A 47 13.453 -4.953 1.827 1.00 0.00 H new ATOM 0 HB3 ASP A 47 13.403 -5.918 0.365 1.00 0.00 H new ATOM 747 N GLU A 48 11.618 -5.366 -1.760 1.00 0.00 N ATOM 748 CA GLU A 48 11.388 -5.322 -3.198 1.00 0.00 C ATOM 749 C GLU A 48 10.075 -4.599 -3.514 1.00 0.00 C ATOM 750 O GLU A 48 10.023 -3.667 -4.317 1.00 0.00 O ATOM 751 CB GLU A 48 11.333 -6.756 -3.744 1.00 0.00 C ATOM 752 CG GLU A 48 12.670 -7.497 -3.607 1.00 0.00 C ATOM 753 CD GLU A 48 12.607 -8.913 -4.180 1.00 0.00 C ATOM 754 OE1 GLU A 48 11.548 -9.263 -4.746 1.00 0.00 O ATOM 755 OE2 GLU A 48 13.628 -9.620 -4.044 1.00 0.00 O ATOM 0 H GLU A 48 11.835 -6.298 -1.406 1.00 0.00 H new ATOM 0 HA GLU A 48 12.204 -4.775 -3.670 1.00 0.00 H new ATOM 0 HB2 GLU A 48 10.559 -7.312 -3.215 1.00 0.00 H new ATOM 0 HB3 GLU A 48 11.044 -6.729 -4.795 1.00 0.00 H new ATOM 0 HG2 GLU A 48 13.450 -6.934 -4.120 1.00 0.00 H new ATOM 0 HG3 GLU A 48 12.951 -7.545 -2.555 1.00 0.00 H new ATOM 762 N LEU A 49 9.008 -5.051 -2.865 1.00 0.00 N ATOM 763 CA LEU A 49 7.670 -4.540 -3.056 1.00 0.00 C ATOM 764 C LEU A 49 7.573 -3.058 -2.692 1.00 0.00 C ATOM 765 O LEU A 49 7.234 -2.232 -3.534 1.00 0.00 O ATOM 766 CB LEU A 49 6.720 -5.448 -2.271 1.00 0.00 C ATOM 767 CG LEU A 49 5.278 -4.951 -2.252 1.00 0.00 C ATOM 768 CD1 LEU A 49 4.712 -4.745 -3.662 1.00 0.00 C ATOM 769 CD2 LEU A 49 4.418 -5.981 -1.514 1.00 0.00 C ATOM 0 H LEU A 49 9.058 -5.801 -2.176 1.00 0.00 H new ATOM 0 HA LEU A 49 7.382 -4.567 -4.107 1.00 0.00 H new ATOM 0 HB2 LEU A 49 6.745 -6.448 -2.704 1.00 0.00 H new ATOM 0 HB3 LEU A 49 7.079 -5.536 -1.246 1.00 0.00 H new ATOM 0 HG LEU A 49 5.262 -3.984 -1.748 1.00 0.00 H new ATOM 0 HD11 LEU A 49 3.683 -4.391 -3.593 1.00 0.00 H new ATOM 0 HD12 LEU A 49 5.315 -4.008 -4.192 1.00 0.00 H new ATOM 0 HD13 LEU A 49 4.735 -5.690 -4.205 1.00 0.00 H new ATOM 0 HD21 LEU A 49 3.383 -5.641 -1.491 1.00 0.00 H new ATOM 0 HD22 LEU A 49 4.474 -6.939 -2.031 1.00 0.00 H new ATOM 0 HD23 LEU A 49 4.784 -6.097 -0.494 1.00 0.00 H new ATOM 781 N PHE A 50 7.878 -2.703 -1.446 1.00 0.00 N ATOM 782 CA PHE A 50 7.868 -1.341 -0.969 1.00 0.00 C ATOM 783 C PHE A 50 8.773 -0.494 -1.855 1.00 0.00 C ATOM 784 O PHE A 50 8.444 0.650 -2.115 1.00 0.00 O ATOM 785 CB PHE A 50 8.376 -1.332 0.474 1.00 0.00 C ATOM 786 CG PHE A 50 8.769 0.034 0.956 1.00 0.00 C ATOM 787 CD1 PHE A 50 7.792 0.950 1.369 1.00 0.00 C ATOM 788 CD2 PHE A 50 10.093 0.448 0.759 1.00 0.00 C ATOM 789 CE1 PHE A 50 8.170 2.264 1.691 1.00 0.00 C ATOM 790 CE2 PHE A 50 10.467 1.772 1.048 1.00 0.00 C ATOM 791 CZ PHE A 50 9.509 2.669 1.547 1.00 0.00 C ATOM 0 H PHE A 50 8.144 -3.379 -0.730 1.00 0.00 H new ATOM 0 HA PHE A 50 6.860 -0.928 -1.003 1.00 0.00 H new ATOM 0 HB2 PHE A 50 7.600 -1.731 1.128 1.00 0.00 H new ATOM 0 HB3 PHE A 50 9.234 -1.999 0.554 1.00 0.00 H new ATOM 0 HD1 PHE A 50 6.757 0.648 1.439 1.00 0.00 H new ATOM 0 HD2 PHE A 50 10.827 -0.251 0.385 1.00 0.00 H new ATOM 0 HE1 PHE A 50 7.431 2.965 2.050 1.00 0.00 H new ATOM 0 HE2 PHE A 50 11.484 2.097 0.887 1.00 0.00 H new ATOM 0 HZ PHE A 50 9.801 3.672 1.821 1.00 0.00 H new ATOM 801 N GLU A 51 9.904 -1.026 -2.324 1.00 0.00 N ATOM 802 CA GLU A 51 10.788 -0.243 -3.184 1.00 0.00 C ATOM 803 C GLU A 51 10.115 0.036 -4.524 1.00 0.00 C ATOM 804 O GLU A 51 10.184 1.159 -5.013 1.00 0.00 O ATOM 805 CB GLU A 51 12.155 -0.920 -3.368 1.00 0.00 C ATOM 806 CG GLU A 51 13.053 -0.776 -2.129 1.00 0.00 C ATOM 807 CD GLU A 51 13.552 0.654 -1.944 1.00 0.00 C ATOM 808 OE1 GLU A 51 14.396 1.071 -2.765 1.00 0.00 O ATOM 809 OE2 GLU A 51 13.079 1.304 -0.986 1.00 0.00 O ATOM 0 H GLU A 51 10.223 -1.975 -2.127 1.00 0.00 H new ATOM 0 HA GLU A 51 10.976 0.711 -2.692 1.00 0.00 H new ATOM 0 HB2 GLU A 51 12.007 -1.978 -3.585 1.00 0.00 H new ATOM 0 HB3 GLU A 51 12.659 -0.485 -4.231 1.00 0.00 H new ATOM 0 HG2 GLU A 51 12.498 -1.083 -1.242 1.00 0.00 H new ATOM 0 HG3 GLU A 51 13.906 -1.448 -2.220 1.00 0.00 H new ATOM 816 N GLU A 52 9.449 -0.959 -5.119 1.00 0.00 N ATOM 817 CA GLU A 52 8.732 -0.747 -6.371 1.00 0.00 C ATOM 818 C GLU A 52 7.694 0.351 -6.136 1.00 0.00 C ATOM 819 O GLU A 52 7.523 1.271 -6.930 1.00 0.00 O ATOM 820 CB GLU A 52 8.055 -2.061 -6.799 1.00 0.00 C ATOM 821 CG GLU A 52 6.967 -1.851 -7.865 1.00 0.00 C ATOM 822 CD GLU A 52 6.348 -3.181 -8.283 1.00 0.00 C ATOM 823 OE1 GLU A 52 5.534 -3.701 -7.489 1.00 0.00 O ATOM 824 OE2 GLU A 52 6.703 -3.655 -9.383 1.00 0.00 O ATOM 0 H GLU A 52 9.394 -1.910 -4.754 1.00 0.00 H new ATOM 0 HA GLU A 52 9.412 -0.442 -7.167 1.00 0.00 H new ATOM 0 HB2 GLU A 52 8.811 -2.744 -7.187 1.00 0.00 H new ATOM 0 HB3 GLU A 52 7.613 -2.538 -5.924 1.00 0.00 H new ATOM 0 HG2 GLU A 52 6.192 -1.192 -7.474 1.00 0.00 H new ATOM 0 HG3 GLU A 52 7.397 -1.356 -8.736 1.00 0.00 H new ATOM 831 N LEU A 53 6.989 0.208 -5.020 1.00 0.00 N ATOM 832 CA LEU A 53 5.932 1.091 -4.582 1.00 0.00 C ATOM 833 C LEU A 53 6.415 2.508 -4.252 1.00 0.00 C ATOM 834 O LEU A 53 5.734 3.473 -4.590 1.00 0.00 O ATOM 835 CB LEU A 53 5.277 0.432 -3.365 1.00 0.00 C ATOM 836 CG LEU A 53 4.246 -0.630 -3.762 1.00 0.00 C ATOM 837 CD1 LEU A 53 3.940 -1.466 -2.520 1.00 0.00 C ATOM 838 CD2 LEU A 53 2.949 -0.006 -4.287 1.00 0.00 C ATOM 0 H LEU A 53 7.151 -0.563 -4.372 1.00 0.00 H new ATOM 0 HA LEU A 53 5.220 1.226 -5.396 1.00 0.00 H new ATOM 0 HB2 LEU A 53 6.047 -0.027 -2.745 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.792 1.196 -2.758 1.00 0.00 H new ATOM 0 HG LEU A 53 4.658 -1.240 -4.566 1.00 0.00 H new ATOM 0 HD11 LEU A 53 3.207 -2.233 -2.769 1.00 0.00 H new ATOM 0 HD12 LEU A 53 4.855 -1.940 -2.166 1.00 0.00 H new ATOM 0 HD13 LEU A 53 3.539 -0.822 -1.738 1.00 0.00 H new ATOM 0 HD21 LEU A 53 2.248 -0.796 -4.556 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.508 0.622 -3.513 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.167 0.601 -5.166 1.00 0.00 H new ATOM 850 N ASP A 54 7.564 2.672 -3.593 1.00 0.00 N ATOM 851 CA ASP A 54 8.086 3.971 -3.194 1.00 0.00 C ATOM 852 C ASP A 54 8.778 4.595 -4.403 1.00 0.00 C ATOM 853 O ASP A 54 9.980 4.846 -4.394 1.00 0.00 O ATOM 854 CB ASP A 54 9.009 3.834 -1.964 1.00 0.00 C ATOM 855 CG ASP A 54 9.431 5.190 -1.385 1.00 0.00 C ATOM 856 OD1 ASP A 54 9.109 6.215 -2.021 1.00 0.00 O ATOM 857 OD2 ASP A 54 10.076 5.203 -0.313 1.00 0.00 O ATOM 0 H ASP A 54 8.163 1.893 -3.320 1.00 0.00 H new ATOM 0 HA ASP A 54 7.281 4.636 -2.881 1.00 0.00 H new ATOM 0 HB2 ASP A 54 8.497 3.258 -1.193 1.00 0.00 H new ATOM 0 HB3 ASP A 54 9.899 3.271 -2.244 1.00 0.00 H new ATOM 862 N LYS A 55 7.998 4.861 -5.452 1.00 0.00 N ATOM 863 CA LYS A 55 8.480 5.444 -6.689 1.00 0.00 C ATOM 864 C LYS A 55 8.984 6.868 -6.438 1.00 0.00 C ATOM 865 O LYS A 55 9.861 7.353 -7.147 1.00 0.00 O ATOM 866 CB LYS A 55 7.356 5.385 -7.735 1.00 0.00 C ATOM 867 CG LYS A 55 7.820 5.677 -9.169 1.00 0.00 C ATOM 868 CD LYS A 55 8.956 4.765 -9.659 1.00 0.00 C ATOM 869 CE LYS A 55 8.697 3.265 -9.455 1.00 0.00 C ATOM 870 NZ LYS A 55 7.425 2.831 -10.056 1.00 0.00 N ATOM 0 H LYS A 55 6.996 4.671 -5.458 1.00 0.00 H new ATOM 0 HA LYS A 55 9.328 4.879 -7.077 1.00 0.00 H new ATOM 0 HB2 LYS A 55 6.899 4.396 -7.707 1.00 0.00 H new ATOM 0 HB3 LYS A 55 6.582 6.102 -7.462 1.00 0.00 H new ATOM 0 HG2 LYS A 55 6.969 5.574 -9.843 1.00 0.00 H new ATOM 0 HG3 LYS A 55 8.150 6.714 -9.229 1.00 0.00 H new ATOM 0 HD2 LYS A 55 9.124 4.952 -10.720 1.00 0.00 H new ATOM 0 HD3 LYS A 55 9.874 5.037 -9.139 1.00 0.00 H new ATOM 0 HE2 LYS A 55 9.516 2.694 -9.892 1.00 0.00 H new ATOM 0 HE3 LYS A 55 8.687 3.042 -8.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 7.318 1.803 -9.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 6.635 3.318 -9.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 7.422 3.065 -11.069 1.00 0.00 H new ATOM 884 N ASN A 56 8.433 7.532 -5.418 1.00 0.00 N ATOM 885 CA ASN A 56 8.834 8.879 -5.037 1.00 0.00 C ATOM 886 C ASN A 56 10.241 8.846 -4.415 1.00 0.00 C ATOM 887 O ASN A 56 11.017 9.774 -4.614 1.00 0.00 O ATOM 888 CB ASN A 56 7.776 9.498 -4.105 1.00 0.00 C ATOM 889 CG ASN A 56 7.983 9.145 -2.642 1.00 0.00 C ATOM 890 OD1 ASN A 56 8.902 9.621 -1.998 1.00 0.00 O ATOM 891 ND2 ASN A 56 7.114 8.320 -2.098 1.00 0.00 N ATOM 0 H ASN A 56 7.693 7.144 -4.834 1.00 0.00 H new ATOM 0 HA ASN A 56 8.891 9.520 -5.917 1.00 0.00 H new ATOM 0 HB2 ASN A 56 7.794 10.582 -4.216 1.00 0.00 H new ATOM 0 HB3 ASN A 56 6.787 9.162 -4.416 1.00 0.00 H new ATOM 0 HD21 ASN A 56 7.200 8.064 -1.114 1.00 0.00 H new ATOM 0 HD22 ASN A 56 6.354 7.936 -2.660 1.00 0.00 H new ATOM 898 N GLY A 57 10.571 7.778 -3.679 1.00 0.00 N ATOM 899 CA GLY A 57 11.861 7.578 -3.045 1.00 0.00 C ATOM 900 C GLY A 57 12.077 8.524 -1.866 1.00 0.00 C ATOM 901 O GLY A 57 12.825 9.491 -1.996 1.00 0.00 O ATOM 0 H GLY A 57 9.921 7.011 -3.509 1.00 0.00 H new ATOM 0 HA2 GLY A 57 11.939 6.547 -2.700 1.00 0.00 H new ATOM 0 HA3 GLY A 57 12.652 7.729 -3.779 1.00 0.00 H new ATOM 905 N ASP A 58 11.450 8.258 -0.712 1.00 0.00 N ATOM 906 CA ASP A 58 11.620 9.119 0.467 1.00 0.00 C ATOM 907 C ASP A 58 11.602 8.370 1.795 1.00 0.00 C ATOM 908 O ASP A 58 12.209 8.826 2.758 1.00 0.00 O ATOM 909 CB ASP A 58 10.595 10.268 0.488 1.00 0.00 C ATOM 910 CG ASP A 58 9.182 9.869 0.929 1.00 0.00 C ATOM 911 OD1 ASP A 58 8.808 8.690 0.734 1.00 0.00 O ATOM 912 OD2 ASP A 58 8.491 10.758 1.471 1.00 0.00 O ATOM 0 H ASP A 58 10.827 7.463 -0.570 1.00 0.00 H new ATOM 0 HA ASP A 58 12.621 9.537 0.363 1.00 0.00 H new ATOM 0 HB2 ASP A 58 10.961 11.049 1.155 1.00 0.00 H new ATOM 0 HB3 ASP A 58 10.539 10.703 -0.510 1.00 0.00 H new ATOM 917 N GLY A 59 10.902 7.239 1.862 1.00 0.00 N ATOM 918 CA GLY A 59 10.749 6.473 3.084 1.00 0.00 C ATOM 919 C GLY A 59 9.340 5.896 3.155 1.00 0.00 C ATOM 920 O GLY A 59 9.118 4.925 3.882 1.00 0.00 O ATOM 0 H GLY A 59 10.423 6.830 1.059 1.00 0.00 H new ATOM 0 HA2 GLY A 59 11.484 5.669 3.115 1.00 0.00 H new ATOM 0 HA3 GLY A 59 10.936 7.109 3.949 1.00 0.00 H new ATOM 924 N GLU A 60 8.382 6.469 2.413 1.00 0.00 N ATOM 925 CA GLU A 60 7.033 5.968 2.377 1.00 0.00 C ATOM 926 C GLU A 60 6.486 5.915 0.949 1.00 0.00 C ATOM 927 O GLU A 60 7.012 6.534 0.030 1.00 0.00 O ATOM 928 CB GLU A 60 6.138 6.883 3.206 1.00 0.00 C ATOM 929 CG GLU A 60 6.696 7.414 4.538 1.00 0.00 C ATOM 930 CD GLU A 60 7.321 8.798 4.374 1.00 0.00 C ATOM 931 OE1 GLU A 60 6.533 9.772 4.370 1.00 0.00 O ATOM 932 OE2 GLU A 60 8.564 8.856 4.257 1.00 0.00 O ATOM 0 H GLU A 60 8.537 7.290 1.828 1.00 0.00 H new ATOM 0 HA GLU A 60 7.041 4.956 2.781 1.00 0.00 H new ATOM 0 HB2 GLU A 60 5.871 7.741 2.588 1.00 0.00 H new ATOM 0 HB3 GLU A 60 5.215 6.345 3.420 1.00 0.00 H new ATOM 0 HG2 GLU A 60 5.895 7.461 5.276 1.00 0.00 H new ATOM 0 HG3 GLU A 60 7.443 6.720 4.923 1.00 0.00 H new ATOM 939 N VAL A 61 5.387 5.186 0.817 1.00 0.00 N ATOM 940 CA VAL A 61 4.564 4.989 -0.364 1.00 0.00 C ATOM 941 C VAL A 61 3.414 5.983 -0.175 1.00 0.00 C ATOM 942 O VAL A 61 3.288 6.565 0.897 1.00 0.00 O ATOM 943 CB VAL A 61 4.059 3.526 -0.383 1.00 0.00 C ATOM 944 CG1 VAL A 61 3.175 3.202 -1.597 1.00 0.00 C ATOM 945 CG2 VAL A 61 5.245 2.561 -0.377 1.00 0.00 C ATOM 0 H VAL A 61 5.015 4.668 1.613 1.00 0.00 H new ATOM 0 HA VAL A 61 5.085 5.153 -1.307 1.00 0.00 H new ATOM 0 HB VAL A 61 3.450 3.407 0.513 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.856 2.161 -1.547 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.299 3.851 -1.593 1.00 0.00 H new ATOM 0 HG13 VAL A 61 3.742 3.364 -2.514 1.00 0.00 H new ATOM 0 HG21 VAL A 61 4.879 1.534 -0.390 1.00 0.00 H new ATOM 0 HG22 VAL A 61 5.862 2.738 -1.258 1.00 0.00 H new ATOM 0 HG23 VAL A 61 5.841 2.722 0.522 1.00 0.00 H new ATOM 955 N SER A 62 2.548 6.188 -1.160 1.00 0.00 N ATOM 956 CA SER A 62 1.387 7.060 -1.041 1.00 0.00 C ATOM 957 C SER A 62 0.300 6.486 -1.938 1.00 0.00 C ATOM 958 O SER A 62 0.610 5.664 -2.804 1.00 0.00 O ATOM 959 CB SER A 62 1.724 8.509 -1.401 1.00 0.00 C ATOM 960 OG SER A 62 2.162 8.580 -2.739 1.00 0.00 O ATOM 0 H SER A 62 2.634 5.747 -2.076 1.00 0.00 H new ATOM 0 HA SER A 62 1.042 7.093 -0.008 1.00 0.00 H new ATOM 0 HB2 SER A 62 0.847 9.141 -1.262 1.00 0.00 H new ATOM 0 HB3 SER A 62 2.499 8.888 -0.735 1.00 0.00 H new ATOM 0 HG SER A 62 3.030 8.132 -2.823 1.00 0.00 H new ATOM 966 N PHE A 63 -0.956 6.898 -1.742 1.00 0.00 N ATOM 967 CA PHE A 63 -2.076 6.423 -2.547 1.00 0.00 C ATOM 968 C PHE A 63 -1.712 6.486 -4.031 1.00 0.00 C ATOM 969 O PHE A 63 -1.922 5.524 -4.767 1.00 0.00 O ATOM 970 CB PHE A 63 -3.359 7.162 -2.181 1.00 0.00 C ATOM 971 CG PHE A 63 -4.569 6.745 -2.991 1.00 0.00 C ATOM 972 CD1 PHE A 63 -5.307 5.618 -2.590 1.00 0.00 C ATOM 973 CD2 PHE A 63 -4.861 7.366 -4.221 1.00 0.00 C ATOM 974 CE1 PHE A 63 -6.413 5.192 -3.347 1.00 0.00 C ATOM 975 CE2 PHE A 63 -5.928 6.896 -5.010 1.00 0.00 C ATOM 976 CZ PHE A 63 -6.767 5.879 -4.518 1.00 0.00 C ATOM 0 H PHE A 63 -1.221 7.569 -1.021 1.00 0.00 H new ATOM 0 HA PHE A 63 -2.279 5.375 -2.327 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -3.570 6.999 -1.124 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -3.199 8.232 -2.313 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -5.024 5.078 -1.699 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -4.267 8.202 -4.559 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -6.989 4.337 -3.027 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -6.102 7.315 -5.990 1.00 0.00 H new ATOM 0 HZ PHE A 63 -7.679 5.628 -5.039 1.00 0.00 H new ATOM 986 N GLU A 64 -1.127 7.619 -4.428 1.00 0.00 N ATOM 987 CA GLU A 64 -0.630 7.939 -5.757 1.00 0.00 C ATOM 988 C GLU A 64 -0.007 6.725 -6.460 1.00 0.00 C ATOM 989 O GLU A 64 -0.439 6.305 -7.529 1.00 0.00 O ATOM 990 CB GLU A 64 0.444 9.035 -5.593 1.00 0.00 C ATOM 991 CG GLU A 64 0.801 9.686 -6.934 1.00 0.00 C ATOM 992 CD GLU A 64 1.945 10.681 -6.769 1.00 0.00 C ATOM 993 OE1 GLU A 64 3.087 10.203 -6.596 1.00 0.00 O ATOM 994 OE2 GLU A 64 1.655 11.897 -6.805 1.00 0.00 O ATOM 0 H GLU A 64 -0.980 8.390 -3.776 1.00 0.00 H new ATOM 0 HA GLU A 64 -1.465 8.269 -6.375 1.00 0.00 H new ATOM 0 HB2 GLU A 64 0.083 9.798 -4.903 1.00 0.00 H new ATOM 0 HB3 GLU A 64 1.340 8.602 -5.149 1.00 0.00 H new ATOM 0 HG2 GLU A 64 1.084 8.917 -7.652 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -0.073 10.195 -7.340 1.00 0.00 H new ATOM 1001 N GLU A 65 1.035 6.184 -5.833 1.00 0.00 N ATOM 1002 CA GLU A 65 1.857 5.085 -6.329 1.00 0.00 C ATOM 1003 C GLU A 65 1.166 3.768 -6.004 1.00 0.00 C ATOM 1004 O GLU A 65 1.214 2.819 -6.783 1.00 0.00 O ATOM 1005 CB GLU A 65 3.285 5.142 -5.738 1.00 0.00 C ATOM 1006 CG GLU A 65 3.464 6.316 -4.767 1.00 0.00 C ATOM 1007 CD GLU A 65 4.863 6.572 -4.240 1.00 0.00 C ATOM 1008 OE1 GLU A 65 5.828 6.450 -5.017 1.00 0.00 O ATOM 1009 OE2 GLU A 65 4.925 6.977 -3.060 1.00 0.00 O ATOM 0 H GLU A 65 1.344 6.518 -4.920 1.00 0.00 H new ATOM 0 HA GLU A 65 1.965 5.172 -7.410 1.00 0.00 H new ATOM 0 HB2 GLU A 65 3.499 4.208 -5.219 1.00 0.00 H new ATOM 0 HB3 GLU A 65 4.009 5.230 -6.548 1.00 0.00 H new ATOM 0 HG2 GLU A 65 3.120 7.222 -5.265 1.00 0.00 H new ATOM 0 HG3 GLU A 65 2.806 6.152 -3.914 1.00 0.00 H new ATOM 1016 N PHE A 66 0.501 3.716 -4.848 1.00 0.00 N ATOM 1017 CA PHE A 66 -0.239 2.536 -4.416 1.00 0.00 C ATOM 1018 C PHE A 66 -1.264 2.115 -5.478 1.00 0.00 C ATOM 1019 O PHE A 66 -1.624 0.941 -5.537 1.00 0.00 O ATOM 1020 CB PHE A 66 -0.834 2.792 -3.030 1.00 0.00 C ATOM 1021 CG PHE A 66 -1.935 1.854 -2.588 1.00 0.00 C ATOM 1022 CD1 PHE A 66 -1.645 0.511 -2.293 1.00 0.00 C ATOM 1023 CD2 PHE A 66 -3.258 2.321 -2.495 1.00 0.00 C ATOM 1024 CE1 PHE A 66 -2.686 -0.374 -1.965 1.00 0.00 C ATOM 1025 CE2 PHE A 66 -4.284 1.456 -2.081 1.00 0.00 C ATOM 1026 CZ PHE A 66 -4.000 0.104 -1.827 1.00 0.00 C ATOM 0 H PHE A 66 0.462 4.492 -4.188 1.00 0.00 H new ATOM 0 HA PHE A 66 0.430 1.681 -4.316 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -0.028 2.742 -2.298 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -1.223 3.810 -3.008 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -0.624 0.160 -2.318 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -3.486 3.347 -2.743 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -2.476 -1.423 -1.819 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -5.290 1.830 -1.958 1.00 0.00 H new ATOM 0 HZ PHE A 66 -4.791 -0.567 -1.526 1.00 0.00 H new ATOM 1036 N GLN A 67 -1.714 3.029 -6.352 1.00 0.00 N ATOM 1037 CA GLN A 67 -2.601 2.645 -7.447 1.00 0.00 C ATOM 1038 C GLN A 67 -2.019 1.502 -8.284 1.00 0.00 C ATOM 1039 O GLN A 67 -2.772 0.716 -8.854 1.00 0.00 O ATOM 1040 CB GLN A 67 -3.107 3.833 -8.285 1.00 0.00 C ATOM 1041 CG GLN A 67 -3.711 4.960 -7.452 1.00 0.00 C ATOM 1042 CD GLN A 67 -4.713 4.374 -6.471 1.00 0.00 C ATOM 1043 OE1 GLN A 67 -5.858 4.106 -6.809 1.00 0.00 O ATOM 1044 NE2 GLN A 67 -4.289 4.149 -5.242 1.00 0.00 N ATOM 0 H GLN A 67 -1.480 4.021 -6.319 1.00 0.00 H new ATOM 0 HA GLN A 67 -3.503 2.250 -6.980 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -2.279 4.231 -8.872 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -3.855 3.475 -8.992 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -2.926 5.492 -6.914 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -4.201 5.686 -8.101 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -3.330 4.381 -4.983 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -4.920 3.744 -4.551 1.00 0.00 H new ATOM 1053 N VAL A 68 -0.691 1.361 -8.338 1.00 0.00 N ATOM 1054 CA VAL A 68 -0.069 0.243 -9.032 1.00 0.00 C ATOM 1055 C VAL A 68 -0.527 -1.059 -8.362 1.00 0.00 C ATOM 1056 O VAL A 68 -0.826 -2.036 -9.044 1.00 0.00 O ATOM 1057 CB VAL A 68 1.463 0.397 -9.041 1.00 0.00 C ATOM 1058 CG1 VAL A 68 2.148 -0.822 -9.675 1.00 0.00 C ATOM 1059 CG2 VAL A 68 1.874 1.648 -9.832 1.00 0.00 C ATOM 0 H VAL A 68 -0.032 2.010 -7.908 1.00 0.00 H new ATOM 0 HA VAL A 68 -0.379 0.221 -10.077 1.00 0.00 H new ATOM 0 HB VAL A 68 1.780 0.487 -8.002 1.00 0.00 H new ATOM 0 HG11 VAL A 68 3.228 -0.679 -9.664 1.00 0.00 H new ATOM 0 HG12 VAL A 68 1.895 -1.718 -9.107 1.00 0.00 H new ATOM 0 HG13 VAL A 68 1.807 -0.936 -10.704 1.00 0.00 H new ATOM 0 HG21 VAL A 68 2.960 1.741 -9.828 1.00 0.00 H new ATOM 0 HG22 VAL A 68 1.521 1.561 -10.860 1.00 0.00 H new ATOM 0 HG23 VAL A 68 1.433 2.531 -9.371 1.00 0.00 H new ATOM 1069 N LEU A 69 -0.614 -1.074 -7.030 1.00 0.00 N ATOM 1070 CA LEU A 69 -1.064 -2.228 -6.266 1.00 0.00 C ATOM 1071 C LEU A 69 -2.560 -2.410 -6.540 1.00 0.00 C ATOM 1072 O LEU A 69 -3.005 -3.512 -6.853 1.00 0.00 O ATOM 1073 CB LEU A 69 -0.772 -1.987 -4.774 1.00 0.00 C ATOM 1074 CG LEU A 69 -0.575 -3.240 -3.903 1.00 0.00 C ATOM 1075 CD1 LEU A 69 -1.770 -4.194 -3.966 1.00 0.00 C ATOM 1076 CD2 LEU A 69 0.713 -3.994 -4.257 1.00 0.00 C ATOM 0 H LEU A 69 -0.370 -0.272 -6.449 1.00 0.00 H new ATOM 0 HA LEU A 69 -0.540 -3.139 -6.557 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.125 -1.373 -4.697 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.593 -1.406 -4.355 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.491 -2.873 -2.880 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -1.578 -5.061 -3.333 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -2.665 -3.680 -3.615 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -1.920 -4.522 -4.995 1.00 0.00 H new ATOM 0 HD21 LEU A 69 0.809 -4.871 -3.616 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.675 -4.309 -5.300 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.571 -3.339 -4.107 1.00 0.00 H new ATOM 1088 N VAL A 70 -3.335 -1.320 -6.441 1.00 0.00 N ATOM 1089 CA VAL A 70 -4.776 -1.342 -6.712 1.00 0.00 C ATOM 1090 C VAL A 70 -5.041 -1.973 -8.080 1.00 0.00 C ATOM 1091 O VAL A 70 -5.988 -2.733 -8.246 1.00 0.00 O ATOM 1092 CB VAL A 70 -5.400 0.062 -6.618 1.00 0.00 C ATOM 1093 CG1 VAL A 70 -6.896 0.027 -6.961 1.00 0.00 C ATOM 1094 CG2 VAL A 70 -5.216 0.653 -5.215 1.00 0.00 C ATOM 0 H VAL A 70 -2.980 -0.402 -6.172 1.00 0.00 H new ATOM 0 HA VAL A 70 -5.254 -1.951 -5.945 1.00 0.00 H new ATOM 0 HB VAL A 70 -4.884 0.693 -7.342 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -7.310 1.033 -6.886 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -7.028 -0.345 -7.977 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -7.414 -0.631 -6.264 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -5.666 1.645 -5.176 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -5.699 0.007 -4.482 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -4.152 0.728 -4.988 1.00 0.00 H new ATOM 1104 N LYS A 71 -4.210 -1.672 -9.074 1.00 0.00 N ATOM 1105 CA LYS A 71 -4.340 -2.287 -10.375 1.00 0.00 C ATOM 1106 C LYS A 71 -3.895 -3.751 -10.279 1.00 0.00 C ATOM 1107 O LYS A 71 -4.602 -4.654 -10.722 1.00 0.00 O ATOM 1108 CB LYS A 71 -3.495 -1.488 -11.373 1.00 0.00 C ATOM 1109 CG LYS A 71 -3.789 -1.889 -12.823 1.00 0.00 C ATOM 1110 CD LYS A 71 -3.003 -1.007 -13.798 1.00 0.00 C ATOM 1111 CE LYS A 71 -1.506 -1.337 -13.808 1.00 0.00 C ATOM 1112 NZ LYS A 71 -0.792 -0.553 -14.830 1.00 0.00 N ATOM 0 H LYS A 71 -3.442 -1.005 -8.995 1.00 0.00 H new ATOM 0 HA LYS A 71 -5.374 -2.278 -10.721 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -3.691 -0.424 -11.244 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -2.438 -1.645 -11.160 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -3.525 -2.935 -12.977 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -4.857 -1.797 -13.022 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -3.407 -1.132 -14.803 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -3.140 0.040 -13.528 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -1.080 -1.132 -12.826 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -1.367 -2.401 -14.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 0.219 -0.798 -14.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -1.184 -0.768 -15.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -0.905 0.462 -14.631 1.00 0.00 H new ATOM 1126 N LYS A 72 -2.711 -3.997 -9.712 1.00 0.00 N ATOM 1127 CA LYS A 72 -2.080 -5.309 -9.621 1.00 0.00 C ATOM 1128 C LYS A 72 -2.808 -6.390 -8.846 1.00 0.00 C ATOM 1129 O LYS A 72 -2.581 -7.570 -9.104 1.00 0.00 O ATOM 1130 CB LYS A 72 -0.575 -5.191 -9.445 1.00 0.00 C ATOM 1131 CG LYS A 72 0.185 -6.505 -9.665 1.00 0.00 C ATOM 1132 CD LYS A 72 1.534 -6.213 -10.334 1.00 0.00 C ATOM 1133 CE LYS A 72 2.334 -7.496 -10.581 1.00 0.00 C ATOM 1134 NZ LYS A 72 2.703 -8.171 -9.323 1.00 0.00 N ATOM 0 H LYS A 72 -2.148 -3.259 -9.289 1.00 0.00 H new ATOM 0 HA LYS A 72 -2.215 -5.767 -10.601 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.196 -4.443 -10.142 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -0.365 -4.826 -8.440 1.00 0.00 H new ATOM 0 HG2 LYS A 72 0.342 -7.010 -8.712 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.404 -7.177 -10.289 1.00 0.00 H new ATOM 0 HD2 LYS A 72 1.367 -5.700 -11.281 1.00 0.00 H new ATOM 0 HD3 LYS A 72 2.114 -5.538 -9.704 1.00 0.00 H new ATOM 0 HE2 LYS A 72 1.746 -8.176 -11.198 1.00 0.00 H new ATOM 0 HE3 LYS A 72 3.237 -7.257 -11.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 3.368 -8.945 -9.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 3.153 -7.487 -8.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 1.849 -8.558 -8.873 1.00 0.00 H new ATOM 1148 N ILE A 73 -3.723 -6.019 -7.959 1.00 0.00 N ATOM 1149 CA ILE A 73 -4.569 -7.044 -7.344 1.00 0.00 C ATOM 1150 C ILE A 73 -5.350 -7.748 -8.472 1.00 0.00 C ATOM 1151 O ILE A 73 -5.685 -8.921 -8.342 1.00 0.00 O ATOM 1152 CB ILE A 73 -5.521 -6.483 -6.276 1.00 0.00 C ATOM 1153 CG1 ILE A 73 -6.129 -5.148 -6.711 1.00 0.00 C ATOM 1154 CG2 ILE A 73 -4.796 -6.331 -4.934 1.00 0.00 C ATOM 1155 CD1 ILE A 73 -7.460 -4.847 -6.029 1.00 0.00 C ATOM 0 H ILE A 73 -3.898 -5.061 -7.657 1.00 0.00 H new ATOM 0 HA ILE A 73 -3.932 -7.751 -6.813 1.00 0.00 H new ATOM 0 HB ILE A 73 -6.337 -7.195 -6.154 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -5.425 -4.346 -6.491 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -6.275 -5.156 -7.791 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -5.486 -5.932 -4.191 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -4.431 -7.304 -4.605 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -3.954 -5.648 -5.050 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -7.839 -3.887 -6.379 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -8.178 -5.631 -6.270 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -7.315 -4.808 -4.949 1.00 0.00 H new ATOM 1167 N SER A 74 -5.607 -7.050 -9.590 1.00 0.00 N ATOM 1168 CA SER A 74 -6.239 -7.611 -10.775 1.00 0.00 C ATOM 1169 C SER A 74 -5.131 -7.995 -11.766 1.00 0.00 C ATOM 1170 O SER A 74 -5.158 -9.066 -12.361 1.00 0.00 O ATOM 1171 CB SER A 74 -7.212 -6.595 -11.381 1.00 0.00 C ATOM 1172 OG SER A 74 -8.151 -6.185 -10.406 1.00 0.00 O ATOM 0 H SER A 74 -5.373 -6.062 -9.688 1.00 0.00 H new ATOM 0 HA SER A 74 -6.818 -8.499 -10.523 1.00 0.00 H new ATOM 0 HB2 SER A 74 -6.663 -5.731 -11.755 1.00 0.00 H new ATOM 0 HB3 SER A 74 -7.729 -7.037 -12.233 1.00 0.00 H new ATOM 0 HG SER A 74 -8.769 -5.534 -10.800 1.00 0.00 H new ATOM 1178 N GLN A 75 -4.140 -7.114 -11.944 1.00 0.00 N ATOM 1179 CA GLN A 75 -3.005 -7.333 -12.838 1.00 0.00 C ATOM 1180 C GLN A 75 -2.183 -8.525 -12.336 1.00 0.00 C ATOM 1181 O GLN A 75 -0.966 -8.570 -12.513 1.00 0.00 O ATOM 1182 CB GLN A 75 -2.168 -6.036 -12.991 1.00 0.00 C ATOM 1183 CG GLN A 75 -1.827 -5.729 -14.450 1.00 0.00 C ATOM 1184 CD GLN A 75 -2.999 -5.112 -15.220 1.00 0.00 C ATOM 1185 OE1 GLN A 75 -2.821 -4.570 -16.299 1.00 0.00 O ATOM 1186 NE2 GLN A 75 -4.219 -5.160 -14.694 1.00 0.00 N ATOM 0 H GLN A 75 -4.107 -6.216 -11.462 1.00 0.00 H new ATOM 0 HA GLN A 75 -3.361 -7.581 -13.838 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -2.721 -5.198 -12.566 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -1.246 -6.133 -12.418 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -0.978 -5.047 -14.483 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -1.517 -6.648 -14.946 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -4.368 -5.613 -13.792 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -5.006 -4.744 -15.192 1.00 0.00 H new TER 1195 GLN A 75