USER MOD reduce.3.24.130724 H: found=0, std=0, add=582, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 582 hydrogens (5 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 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 150:sc= -0.177 (180deg=-0.797) USER MOD Single : A 10 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 17 LYS NZ :NH3+ -137:sc= -0.0282 (180deg=-0.36) USER MOD Single : A 19 LYS NZ :NH3+ 157:sc=-0.00595 (180deg=-0.663) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 139:sc= 0.748 (180deg=-0.198) USER MOD Single : A 38 LYS NZ :NH3+ -146:sc= -1.73 (180deg=-4.55!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ -144:sc= 0.416 (180deg=0.0449) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 142:sc= -1.06 (180deg=-2.62!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ -128:sc= -0.0699 (180deg=-1.31) USER MOD Single : A 65 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.167) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 HTS O1 : rot 169:sc= 0.992 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -17.583 0.802 16.066 1.00 0.00 N ATOM 2 CA GLY A 1 -17.809 0.513 14.623 1.00 0.00 C ATOM 3 C GLY A 1 -16.716 1.080 13.740 1.00 0.00 C ATOM 4 O GLY A 1 -16.722 2.269 13.420 1.00 0.00 O ATOM 0 H1 GLY A 1 -18.357 0.393 16.627 1.00 0.00 H new ATOM 0 H2 GLY A 1 -16.680 0.384 16.366 1.00 0.00 H new ATOM 0 H3 GLY A 1 -17.554 1.831 16.214 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -17.867 -0.566 14.476 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -18.770 0.928 14.319 1.00 0.00 H new ATOM 10 N SER A 2 -15.776 0.228 13.344 1.00 0.00 N ATOM 11 CA SER A 2 -14.670 0.652 12.492 1.00 0.00 C ATOM 12 C SER A 2 -14.411 -0.370 11.390 1.00 0.00 C ATOM 13 O SER A 2 -15.108 -1.379 11.289 1.00 0.00 O ATOM 14 CB SER A 2 -13.404 0.852 13.326 1.00 0.00 C ATOM 15 OG SER A 2 -13.293 2.194 13.769 1.00 0.00 O ATOM 0 H SER A 2 -15.758 -0.759 13.599 1.00 0.00 H new ATOM 0 HA SER A 2 -14.944 1.599 12.028 1.00 0.00 H new ATOM 0 HB2 SER A 2 -13.421 0.182 14.186 1.00 0.00 H new ATOM 0 HB3 SER A 2 -12.528 0.588 12.733 1.00 0.00 H new ATOM 0 HG SER A 2 -12.477 2.296 14.301 1.00 0.00 H new ATOM 21 N ARG A 3 -13.403 -0.102 10.567 1.00 0.00 N ATOM 22 CA ARG A 3 -13.051 -0.999 9.472 1.00 0.00 C ATOM 23 C ARG A 3 -11.802 -0.509 8.747 1.00 0.00 C ATOM 24 O ARG A 3 -10.933 -1.302 8.381 1.00 0.00 O ATOM 25 CB ARG A 3 -14.216 -1.115 8.487 1.00 0.00 C ATOM 26 CG ARG A 3 -14.001 -2.170 7.413 1.00 0.00 C ATOM 27 CD ARG A 3 -13.728 -1.540 6.055 1.00 0.00 C ATOM 28 NE ARG A 3 -14.365 -2.282 4.970 1.00 0.00 N ATOM 29 CZ ARG A 3 -15.684 -2.398 4.825 1.00 0.00 C ATOM 30 NH1 ARG A 3 -16.507 -1.824 5.693 1.00 0.00 N ATOM 31 NH2 ARG A 3 -16.180 -3.092 3.809 1.00 0.00 N ATOM 0 H ARG A 3 -12.815 0.729 10.637 1.00 0.00 H new ATOM 0 HA ARG A 3 -12.841 -1.982 9.893 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -15.126 -1.350 9.039 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -14.374 -0.148 8.009 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -13.164 -2.809 7.693 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -14.882 -2.809 7.348 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -14.090 -0.512 6.053 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -12.652 -1.499 5.884 1.00 0.00 H new ATOM 0 HE ARG A 3 -13.765 -2.738 4.283 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -16.131 -1.290 6.477 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -17.516 -1.916 5.577 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -15.551 -3.536 3.140 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -17.190 -3.181 3.697 1.00 0.00 H new ATOM 45 N VAL A 4 -11.718 0.801 8.542 1.00 0.00 N ATOM 46 CA VAL A 4 -10.574 1.396 7.861 1.00 0.00 C ATOM 47 C VAL A 4 -9.291 1.203 8.664 1.00 0.00 C ATOM 48 O VAL A 4 -8.197 1.163 8.103 1.00 0.00 O ATOM 49 CB VAL A 4 -10.787 2.900 7.612 1.00 0.00 C ATOM 50 CG1 VAL A 4 -9.686 3.458 6.723 1.00 0.00 C ATOM 51 CG2 VAL A 4 -12.156 3.151 6.996 1.00 0.00 C ATOM 0 H VAL A 4 -12.428 1.471 8.838 1.00 0.00 H new ATOM 0 HA VAL A 4 -10.479 0.886 6.902 1.00 0.00 H new ATOM 0 HB VAL A 4 -10.744 3.416 8.571 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -9.855 4.522 6.559 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -8.720 3.314 7.207 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -9.693 2.938 5.765 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -12.289 4.220 6.827 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -12.230 2.622 6.046 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -12.931 2.792 7.673 1.00 0.00 H new ATOM 61 N LYS A 5 -9.433 1.079 9.982 1.00 0.00 N ATOM 62 CA LYS A 5 -8.284 0.887 10.861 1.00 0.00 C ATOM 63 C LYS A 5 -7.439 -0.296 10.400 1.00 0.00 C ATOM 64 O LYS A 5 -6.209 -0.252 10.450 1.00 0.00 O ATOM 65 CB LYS A 5 -8.751 0.665 12.302 1.00 0.00 C ATOM 66 CG LYS A 5 -8.756 1.932 13.143 1.00 0.00 C ATOM 67 CD LYS A 5 -7.727 1.870 14.262 1.00 0.00 C ATOM 68 CE LYS A 5 -8.323 2.294 15.595 1.00 0.00 C ATOM 69 NZ LYS A 5 -9.495 1.456 15.970 1.00 0.00 N ATOM 0 H LYS A 5 -10.332 1.108 10.463 1.00 0.00 H new ATOM 0 HA LYS A 5 -7.670 1.787 10.819 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -9.756 0.244 12.288 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -8.103 -0.073 12.775 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -8.549 2.792 12.506 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -9.748 2.082 13.569 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -7.338 0.855 14.343 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -6.884 2.516 14.018 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -7.562 2.223 16.372 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -8.626 3.340 15.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -9.561 1.395 17.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -10.364 1.885 15.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -9.380 0.501 15.574 1.00 0.00 H new ATOM 83 N ALA A 6 -8.109 -1.351 9.948 1.00 0.00 N ATOM 84 CA ALA A 6 -7.425 -2.546 9.473 1.00 0.00 C ATOM 85 C ALA A 6 -6.698 -2.277 8.160 1.00 0.00 C ATOM 86 O ALA A 6 -5.723 -2.949 7.831 1.00 0.00 O ATOM 87 CB ALA A 6 -8.415 -3.690 9.307 1.00 0.00 C ATOM 0 H ALA A 6 -9.127 -1.402 9.901 1.00 0.00 H new ATOM 0 HA ALA A 6 -6.681 -2.830 10.218 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -7.890 -4.577 8.951 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -8.885 -3.907 10.266 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -9.180 -3.407 8.584 1.00 0.00 H new ATOM 93 N LEU A 7 -7.184 -1.293 7.410 1.00 0.00 N ATOM 94 CA LEU A 7 -6.584 -0.935 6.129 1.00 0.00 C ATOM 95 C LEU A 7 -5.206 -0.307 6.322 1.00 0.00 C ATOM 96 O LEU A 7 -4.338 -0.414 5.456 1.00 0.00 O ATOM 97 CB LEU A 7 -7.495 0.035 5.373 1.00 0.00 C ATOM 98 CG LEU A 7 -7.586 -0.199 3.866 1.00 0.00 C ATOM 99 CD1 LEU A 7 -8.421 0.888 3.206 1.00 0.00 C ATOM 100 CD2 LEU A 7 -6.196 -0.252 3.249 1.00 0.00 C ATOM 0 H LEU A 7 -7.993 -0.728 7.668 1.00 0.00 H new ATOM 0 HA LEU A 7 -6.465 -1.848 5.546 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -8.498 -0.029 5.796 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -7.140 1.051 5.546 1.00 0.00 H new ATOM 0 HG LEU A 7 -8.075 -1.158 3.697 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -8.475 0.705 2.133 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -9.427 0.880 3.626 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -7.961 1.860 3.385 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -6.281 -0.419 2.175 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -5.681 0.692 3.430 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -5.629 -1.066 3.699 1.00 0.00 H new ATOM 112 N GLU A 8 -5.013 0.354 7.460 1.00 0.00 N ATOM 113 CA GLU A 8 -3.742 1.006 7.759 1.00 0.00 C ATOM 114 C GLU A 8 -2.698 -0.003 8.231 1.00 0.00 C ATOM 115 O GLU A 8 -1.527 0.088 7.867 1.00 0.00 O ATOM 116 CB GLU A 8 -3.940 2.087 8.823 1.00 0.00 C ATOM 117 CG GLU A 8 -4.930 3.165 8.417 1.00 0.00 C ATOM 118 CD GLU A 8 -5.407 3.993 9.594 1.00 0.00 C ATOM 119 OE1 GLU A 8 -4.567 4.676 10.218 1.00 0.00 O ATOM 120 OE2 GLU A 8 -6.619 3.958 9.893 1.00 0.00 O ATOM 0 H GLU A 8 -5.719 0.452 8.189 1.00 0.00 H new ATOM 0 HA GLU A 8 -3.379 1.467 6.840 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -4.283 1.619 9.745 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -2.978 2.552 9.040 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -4.465 3.821 7.681 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -5.789 2.700 7.933 1.00 0.00 H new ATOM 127 N GLU A 9 -3.129 -0.959 9.046 1.00 0.00 N ATOM 128 CA GLU A 9 -2.228 -1.981 9.570 1.00 0.00 C ATOM 129 C GLU A 9 -1.787 -2.951 8.473 1.00 0.00 C ATOM 130 O GLU A 9 -0.780 -3.644 8.612 1.00 0.00 O ATOM 131 CB GLU A 9 -2.902 -2.748 10.712 1.00 0.00 C ATOM 132 CG GLU A 9 -3.971 -3.727 10.251 1.00 0.00 C ATOM 133 CD GLU A 9 -3.626 -5.167 10.577 1.00 0.00 C ATOM 134 OE1 GLU A 9 -3.896 -5.599 11.717 1.00 0.00 O ATOM 135 OE2 GLU A 9 -3.085 -5.862 9.692 1.00 0.00 O ATOM 0 H GLU A 9 -4.096 -1.048 9.359 1.00 0.00 H new ATOM 0 HA GLU A 9 -1.339 -1.478 9.952 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -2.140 -3.293 11.270 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -3.351 -2.033 11.401 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -4.920 -3.470 10.721 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -4.111 -3.626 9.175 1.00 0.00 H new ATOM 142 N LYS A 10 -2.552 -3.000 7.386 1.00 0.00 N ATOM 143 CA LYS A 10 -2.243 -3.889 6.271 1.00 0.00 C ATOM 144 C LYS A 10 -1.005 -3.415 5.514 1.00 0.00 C ATOM 145 O LYS A 10 -0.057 -4.174 5.319 1.00 0.00 O ATOM 146 CB LYS A 10 -3.440 -3.975 5.320 1.00 0.00 C ATOM 147 CG LYS A 10 -4.036 -5.370 5.216 1.00 0.00 C ATOM 148 CD LYS A 10 -5.496 -5.323 4.794 1.00 0.00 C ATOM 149 CE LYS A 10 -6.369 -6.170 5.708 1.00 0.00 C ATOM 150 NZ LYS A 10 -6.655 -7.508 5.122 1.00 0.00 N ATOM 0 H LYS A 10 -3.390 -2.434 7.254 1.00 0.00 H new ATOM 0 HA LYS A 10 -2.034 -4.879 6.676 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -4.212 -3.283 5.658 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -3.130 -3.647 4.328 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -3.467 -5.957 4.495 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -3.950 -5.876 6.178 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -5.847 -4.291 4.808 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -5.591 -5.678 3.768 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -5.873 -6.294 6.671 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -7.307 -5.649 5.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -7.252 -8.053 5.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -7.151 -7.391 4.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -5.761 -8.016 4.964 1.00 0.00 H new ATOM 164 N VAL A 11 -1.025 -2.156 5.088 1.00 0.00 N ATOM 165 CA VAL A 11 0.093 -1.578 4.347 1.00 0.00 C ATOM 166 C VAL A 11 1.352 -1.512 5.202 1.00 0.00 C ATOM 167 O VAL A 11 2.463 -1.577 4.687 1.00 0.00 O ATOM 168 CB VAL A 11 -0.242 -0.164 3.831 1.00 0.00 C ATOM 169 CG1 VAL A 11 0.873 0.362 2.938 1.00 0.00 C ATOM 170 CG2 VAL A 11 -1.572 -0.166 3.092 1.00 0.00 C ATOM 0 H VAL A 11 -1.803 -1.515 5.243 1.00 0.00 H new ATOM 0 HA VAL A 11 0.274 -2.233 3.495 1.00 0.00 H new ATOM 0 HB VAL A 11 -0.330 0.502 4.689 1.00 0.00 H new ATOM 0 HG11 VAL A 11 0.616 1.361 2.585 1.00 0.00 H new ATOM 0 HG12 VAL A 11 1.803 0.406 3.505 1.00 0.00 H new ATOM 0 HG13 VAL A 11 0.999 -0.303 2.084 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -1.792 0.840 2.735 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.516 -0.848 2.243 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -2.363 -0.492 3.767 1.00 0.00 H new ATOM 180 N LYS A 12 1.165 -1.379 6.507 1.00 0.00 N ATOM 181 CA LYS A 12 2.285 -1.303 7.442 1.00 0.00 C ATOM 182 C LYS A 12 3.156 -2.548 7.342 1.00 0.00 C ATOM 183 O LYS A 12 4.381 -2.470 7.425 1.00 0.00 O ATOM 184 CB LYS A 12 1.774 -1.135 8.874 1.00 0.00 C ATOM 185 CG LYS A 12 2.875 -0.849 9.883 1.00 0.00 C ATOM 186 CD LYS A 12 2.686 -1.651 11.161 1.00 0.00 C ATOM 187 CE LYS A 12 3.592 -2.871 11.192 1.00 0.00 C ATOM 188 NZ LYS A 12 3.118 -3.890 12.172 1.00 0.00 N ATOM 0 H LYS A 12 0.246 -1.321 6.946 1.00 0.00 H new ATOM 0 HA LYS A 12 2.889 -0.435 7.179 1.00 0.00 H new ATOM 0 HB2 LYS A 12 1.049 -0.321 8.899 1.00 0.00 H new ATOM 0 HB3 LYS A 12 1.246 -2.041 9.171 1.00 0.00 H new ATOM 0 HG2 LYS A 12 3.843 -1.088 9.443 1.00 0.00 H new ATOM 0 HG3 LYS A 12 2.886 0.215 10.119 1.00 0.00 H new ATOM 0 HD2 LYS A 12 2.896 -1.018 12.023 1.00 0.00 H new ATOM 0 HD3 LYS A 12 1.646 -1.967 11.243 1.00 0.00 H new ATOM 0 HE2 LYS A 12 3.636 -3.316 10.198 1.00 0.00 H new ATOM 0 HE3 LYS A 12 4.606 -2.564 11.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 3.762 -4.706 12.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 3.100 -3.473 13.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 2.160 -4.202 11.913 1.00 0.00 H new ATOM 202 N ALA A 13 2.516 -3.694 7.134 1.00 0.00 N ATOM 203 CA ALA A 13 3.239 -4.952 6.991 1.00 0.00 C ATOM 204 C ALA A 13 3.794 -5.062 5.577 1.00 0.00 C ATOM 205 O ALA A 13 4.775 -5.759 5.324 1.00 0.00 O ATOM 206 CB ALA A 13 2.327 -6.130 7.302 1.00 0.00 C ATOM 0 H ALA A 13 1.502 -3.777 7.061 1.00 0.00 H new ATOM 0 HA ALA A 13 4.067 -4.971 7.700 1.00 0.00 H new ATOM 0 HB1 ALA A 13 2.884 -7.060 7.190 1.00 0.00 H new ATOM 0 HB2 ALA A 13 1.961 -6.047 8.325 1.00 0.00 H new ATOM 0 HB3 ALA A 13 1.482 -6.128 6.613 1.00 0.00 H new ATOM 212 N LEU A 14 3.147 -4.342 4.670 1.00 0.00 N ATOM 213 CA LEU A 14 3.534 -4.304 3.270 1.00 0.00 C ATOM 214 C LEU A 14 4.910 -3.659 3.107 1.00 0.00 C ATOM 215 O LEU A 14 5.617 -3.917 2.133 1.00 0.00 O ATOM 216 CB LEU A 14 2.478 -3.516 2.493 1.00 0.00 C ATOM 217 CG LEU A 14 2.341 -3.871 1.014 1.00 0.00 C ATOM 218 CD1 LEU A 14 0.907 -3.650 0.557 1.00 0.00 C ATOM 219 CD2 LEU A 14 3.302 -3.050 0.170 1.00 0.00 C ATOM 0 H LEU A 14 2.335 -3.765 4.888 1.00 0.00 H new ATOM 0 HA LEU A 14 3.597 -5.320 2.881 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.512 -3.666 2.975 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.712 -2.454 2.573 1.00 0.00 H new ATOM 0 HG LEU A 14 2.594 -4.923 0.885 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.818 -3.906 -0.499 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.238 -4.282 1.141 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.636 -2.604 0.701 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.186 -3.320 -0.880 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.084 -1.990 0.298 1.00 0.00 H new ATOM 0 HD23 LEU A 14 4.326 -3.251 0.486 1.00 0.00 H new ATOM 231 N GLU A 15 5.275 -2.812 4.067 1.00 0.00 N ATOM 232 CA GLU A 15 6.556 -2.115 4.041 1.00 0.00 C ATOM 233 C GLU A 15 7.687 -3.028 4.505 1.00 0.00 C ATOM 234 O GLU A 15 8.737 -3.104 3.866 1.00 0.00 O ATOM 235 CB GLU A 15 6.480 -0.866 4.928 1.00 0.00 C ATOM 236 CG GLU A 15 7.821 -0.184 5.151 1.00 0.00 C ATOM 237 CD GLU A 15 7.720 1.009 6.082 1.00 0.00 C ATOM 238 OE1 GLU A 15 7.020 0.902 7.110 1.00 0.00 O ATOM 239 OE2 GLU A 15 8.343 2.050 5.781 1.00 0.00 O ATOM 0 H GLU A 15 4.696 -2.592 4.877 1.00 0.00 H new ATOM 0 HA GLU A 15 6.769 -1.816 3.015 1.00 0.00 H new ATOM 0 HB2 GLU A 15 5.792 -0.152 4.475 1.00 0.00 H new ATOM 0 HB3 GLU A 15 6.060 -1.144 5.895 1.00 0.00 H new ATOM 0 HG2 GLU A 15 8.527 -0.904 5.565 1.00 0.00 H new ATOM 0 HG3 GLU A 15 8.223 0.141 4.192 1.00 0.00 H new ATOM 246 N GLU A 16 7.470 -3.717 5.621 1.00 0.00 N ATOM 247 CA GLU A 16 8.475 -4.621 6.172 1.00 0.00 C ATOM 248 C GLU A 16 8.978 -5.596 5.110 1.00 0.00 C ATOM 249 O GLU A 16 10.129 -6.030 5.145 1.00 0.00 O ATOM 250 CB GLU A 16 7.898 -5.397 7.358 1.00 0.00 C ATOM 251 CG GLU A 16 7.417 -4.505 8.491 1.00 0.00 C ATOM 252 CD GLU A 16 7.836 -5.018 9.855 1.00 0.00 C ATOM 253 OE1 GLU A 16 7.241 -6.012 10.323 1.00 0.00 O ATOM 254 OE2 GLU A 16 8.759 -4.427 10.454 1.00 0.00 O ATOM 0 H GLU A 16 6.607 -3.667 6.162 1.00 0.00 H new ATOM 0 HA GLU A 16 9.317 -4.019 6.513 1.00 0.00 H new ATOM 0 HB2 GLU A 16 7.066 -6.010 7.011 1.00 0.00 H new ATOM 0 HB3 GLU A 16 8.658 -6.078 7.740 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.811 -3.499 8.349 1.00 0.00 H new ATOM 0 HG3 GLU A 16 6.330 -4.430 8.453 1.00 0.00 H new ATOM 261 N LYS A 17 8.106 -5.935 4.165 1.00 0.00 N ATOM 262 CA LYS A 17 8.459 -6.856 3.093 1.00 0.00 C ATOM 263 C LYS A 17 9.331 -6.170 2.045 1.00 0.00 C ATOM 264 O LYS A 17 10.256 -6.774 1.503 1.00 0.00 O ATOM 265 CB LYS A 17 7.194 -7.412 2.435 1.00 0.00 C ATOM 266 CG LYS A 17 7.455 -8.587 1.507 1.00 0.00 C ATOM 267 CD LYS A 17 6.164 -9.295 1.130 1.00 0.00 C ATOM 268 CE LYS A 17 6.424 -10.466 0.197 1.00 0.00 C ATOM 269 NZ LYS A 17 6.221 -10.096 -1.232 1.00 0.00 N ATOM 0 H LYS A 17 7.149 -5.584 4.121 1.00 0.00 H new ATOM 0 HA LYS A 17 9.028 -7.678 3.528 1.00 0.00 H new ATOM 0 HB2 LYS A 17 6.497 -7.723 3.213 1.00 0.00 H new ATOM 0 HB3 LYS A 17 6.708 -6.616 1.871 1.00 0.00 H new ATOM 0 HG2 LYS A 17 7.956 -8.235 0.605 1.00 0.00 H new ATOM 0 HG3 LYS A 17 8.130 -9.292 1.992 1.00 0.00 H new ATOM 0 HD2 LYS A 17 5.666 -9.651 2.032 1.00 0.00 H new ATOM 0 HD3 LYS A 17 5.487 -8.589 0.649 1.00 0.00 H new ATOM 0 HE2 LYS A 17 7.444 -10.822 0.338 1.00 0.00 H new ATOM 0 HE3 LYS A 17 5.760 -11.291 0.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 5.703 -10.856 -1.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 5.674 -9.213 -1.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 7.145 -9.960 -1.690 1.00 0.00 H new ATOM 283 N VAL A 18 9.028 -4.907 1.763 1.00 0.00 N ATOM 284 CA VAL A 18 9.782 -4.142 0.777 1.00 0.00 C ATOM 285 C VAL A 18 11.106 -3.652 1.348 1.00 0.00 C ATOM 286 O VAL A 18 12.171 -3.924 0.796 1.00 0.00 O ATOM 287 CB VAL A 18 8.987 -2.927 0.279 1.00 0.00 C ATOM 288 CG1 VAL A 18 9.694 -2.270 -0.898 1.00 0.00 C ATOM 289 CG2 VAL A 18 7.567 -3.327 -0.097 1.00 0.00 C ATOM 0 H VAL A 18 8.266 -4.392 2.203 1.00 0.00 H new ATOM 0 HA VAL A 18 9.972 -4.818 -0.057 1.00 0.00 H new ATOM 0 HB VAL A 18 8.929 -2.201 1.090 1.00 0.00 H new ATOM 0 HG11 VAL A 18 9.115 -1.411 -1.237 1.00 0.00 H new ATOM 0 HG12 VAL A 18 10.686 -1.940 -0.589 1.00 0.00 H new ATOM 0 HG13 VAL A 18 9.788 -2.988 -1.713 1.00 0.00 H new ATOM 0 HG21 VAL A 18 7.023 -2.450 -0.447 1.00 0.00 H new ATOM 0 HG22 VAL A 18 7.597 -4.075 -0.889 1.00 0.00 H new ATOM 0 HG23 VAL A 18 7.063 -3.743 0.776 1.00 0.00 H new ATOM 299 N LYS A 19 11.032 -2.921 2.454 1.00 0.00 N ATOM 300 CA LYS A 19 12.227 -2.384 3.093 1.00 0.00 C ATOM 301 C LYS A 19 13.256 -3.481 3.352 1.00 0.00 C ATOM 302 O LYS A 19 14.454 -3.210 3.442 1.00 0.00 O ATOM 303 CB LYS A 19 11.863 -1.689 4.406 1.00 0.00 C ATOM 304 CG LYS A 19 11.204 -0.334 4.210 1.00 0.00 C ATOM 305 CD LYS A 19 11.771 0.708 5.161 1.00 0.00 C ATOM 306 CE LYS A 19 12.935 1.458 4.536 1.00 0.00 C ATOM 307 NZ LYS A 19 12.492 2.713 3.867 1.00 0.00 N ATOM 0 H LYS A 19 10.159 -2.687 2.926 1.00 0.00 H new ATOM 0 HA LYS A 19 12.669 -1.655 2.414 1.00 0.00 H new ATOM 0 HB2 LYS A 19 11.192 -2.332 4.975 1.00 0.00 H new ATOM 0 HB3 LYS A 19 12.766 -1.563 5.004 1.00 0.00 H new ATOM 0 HG2 LYS A 19 11.348 -0.005 3.181 1.00 0.00 H new ATOM 0 HG3 LYS A 19 10.129 -0.425 4.368 1.00 0.00 H new ATOM 0 HD2 LYS A 19 10.988 1.414 5.437 1.00 0.00 H new ATOM 0 HD3 LYS A 19 12.101 0.223 6.080 1.00 0.00 H new ATOM 0 HE2 LYS A 19 13.669 1.697 5.306 1.00 0.00 H new ATOM 0 HE3 LYS A 19 13.433 0.816 3.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 13.293 3.373 3.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 12.145 2.493 2.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 11.728 3.151 4.421 1.00 0.00 H new ATOM 321 N ALA A 20 12.785 -4.717 3.460 1.00 0.00 N ATOM 322 CA ALA A 20 13.669 -5.850 3.697 1.00 0.00 C ATOM 323 C ALA A 20 14.168 -6.438 2.381 1.00 0.00 C ATOM 324 O ALA A 20 15.168 -7.155 2.351 1.00 0.00 O ATOM 325 CB ALA A 20 12.954 -6.915 4.517 1.00 0.00 C ATOM 0 H ALA A 20 11.797 -4.960 3.387 1.00 0.00 H new ATOM 0 HA ALA A 20 14.533 -5.496 4.259 1.00 0.00 H new ATOM 0 HB1 ALA A 20 13.626 -7.756 4.687 1.00 0.00 H new ATOM 0 HB2 ALA A 20 12.651 -6.494 5.476 1.00 0.00 H new ATOM 0 HB3 ALA A 20 12.072 -7.259 3.977 1.00 0.00 H new ATOM 331 N LEU A 21 13.468 -6.129 1.293 1.00 0.00 N ATOM 332 CA LEU A 21 13.844 -6.627 -0.024 1.00 0.00 C ATOM 333 C LEU A 21 14.528 -5.532 -0.842 1.00 0.00 C ATOM 334 O LEU A 21 14.371 -4.345 -0.560 1.00 0.00 O ATOM 335 CB LEU A 21 12.613 -7.168 -0.764 1.00 0.00 C ATOM 336 CG LEU A 21 11.756 -6.124 -1.486 1.00 0.00 C ATOM 337 CD1 LEU A 21 12.359 -5.775 -2.837 1.00 0.00 C ATOM 338 CD2 LEU A 21 10.331 -6.631 -1.650 1.00 0.00 C ATOM 0 H LEU A 21 12.638 -5.536 1.299 1.00 0.00 H new ATOM 0 HA LEU A 21 14.553 -7.444 0.108 1.00 0.00 H new ATOM 0 HB2 LEU A 21 12.947 -7.905 -1.495 1.00 0.00 H new ATOM 0 HB3 LEU A 21 11.983 -7.694 -0.046 1.00 0.00 H new ATOM 0 HG LEU A 21 11.733 -5.218 -0.880 1.00 0.00 H new ATOM 0 HD11 LEU A 21 11.735 -5.032 -3.333 1.00 0.00 H new ATOM 0 HD12 LEU A 21 13.361 -5.370 -2.695 1.00 0.00 H new ATOM 0 HD13 LEU A 21 12.414 -6.672 -3.453 1.00 0.00 H new ATOM 0 HD21 LEU A 21 9.734 -5.878 -2.165 1.00 0.00 H new ATOM 0 HD22 LEU A 21 10.337 -7.551 -2.234 1.00 0.00 H new ATOM 0 HD23 LEU A 21 9.899 -6.827 -0.669 1.00 0.00 H new ATOM 350 N GLY A 22 15.284 -5.940 -1.854 1.00 0.00 N ATOM 351 CA GLY A 22 15.977 -4.980 -2.695 1.00 0.00 C ATOM 352 C GLY A 22 16.612 -5.622 -3.912 1.00 0.00 C ATOM 353 O GLY A 22 16.968 -6.801 -3.887 1.00 0.00 O ATOM 0 H GLY A 22 15.430 -6.917 -2.108 1.00 0.00 H new ATOM 0 HA2 GLY A 22 15.274 -4.213 -3.019 1.00 0.00 H new ATOM 0 HA3 GLY A 22 16.748 -4.479 -2.109 1.00 0.00 H new ATOM 357 N GLY A 23 16.755 -4.846 -4.982 1.00 0.00 N ATOM 358 CA GLY A 23 17.354 -5.361 -6.200 1.00 0.00 C ATOM 359 C GLY A 23 16.375 -5.400 -7.358 1.00 0.00 C ATOM 360 O GLY A 23 15.615 -6.358 -7.504 1.00 0.00 O ATOM 0 H GLY A 23 16.466 -3.869 -5.027 1.00 0.00 H new ATOM 0 HA2 GLY A 23 18.208 -4.741 -6.471 1.00 0.00 H new ATOM 0 HA3 GLY A 23 17.735 -6.366 -6.017 1.00 0.00 H new ATOM 364 N GLY A 24 16.396 -4.358 -8.184 1.00 0.00 N ATOM 365 CA GLY A 24 15.501 -4.300 -9.325 1.00 0.00 C ATOM 366 C GLY A 24 14.784 -2.967 -9.435 1.00 0.00 C ATOM 367 O GLY A 24 14.640 -2.248 -8.446 1.00 0.00 O ATOM 0 H GLY A 24 17.016 -3.554 -8.083 1.00 0.00 H new ATOM 0 HA2 GLY A 24 16.069 -4.479 -10.238 1.00 0.00 H new ATOM 0 HA3 GLY A 24 14.764 -5.100 -9.246 1.00 0.00 H new ATOM 371 N GLY A 25 14.333 -2.639 -10.642 1.00 0.00 N ATOM 372 CA GLY A 25 13.633 -1.386 -10.857 1.00 0.00 C ATOM 373 C GLY A 25 12.201 -1.429 -10.359 1.00 0.00 C ATOM 374 O GLY A 25 11.634 -0.401 -9.991 1.00 0.00 O ATOM 0 H GLY A 25 14.440 -3.219 -11.475 1.00 0.00 H new ATOM 0 HA2 GLY A 25 14.167 -0.583 -10.349 1.00 0.00 H new ATOM 0 HA3 GLY A 25 13.638 -1.149 -11.921 1.00 0.00 H new ATOM 378 N ARG A 26 11.618 -2.622 -10.347 1.00 0.00 N ATOM 379 CA ARG A 26 10.243 -2.799 -9.889 1.00 0.00 C ATOM 380 C ARG A 26 10.075 -2.290 -8.460 1.00 0.00 C ATOM 381 O ARG A 26 9.042 -1.722 -8.110 1.00 0.00 O ATOM 382 CB ARG A 26 9.851 -4.279 -9.960 1.00 0.00 C ATOM 383 CG ARG A 26 8.444 -4.528 -10.486 1.00 0.00 C ATOM 384 CD ARG A 26 7.427 -3.587 -9.857 1.00 0.00 C ATOM 385 NE ARG A 26 7.247 -2.369 -10.643 1.00 0.00 N ATOM 386 CZ ARG A 26 6.515 -2.306 -11.754 1.00 0.00 C ATOM 387 NH1 ARG A 26 5.898 -3.388 -12.212 1.00 0.00 N ATOM 388 NH2 ARG A 26 6.400 -1.158 -12.407 1.00 0.00 N ATOM 0 H ARG A 26 12.075 -3.482 -10.649 1.00 0.00 H new ATOM 0 HA ARG A 26 9.590 -2.220 -10.542 1.00 0.00 H new ATOM 0 HB2 ARG A 26 10.563 -4.802 -10.599 1.00 0.00 H new ATOM 0 HB3 ARG A 26 9.937 -4.714 -8.964 1.00 0.00 H new ATOM 0 HG2 ARG A 26 8.434 -4.402 -11.569 1.00 0.00 H new ATOM 0 HG3 ARG A 26 8.158 -5.560 -10.283 1.00 0.00 H new ATOM 0 HD2 ARG A 26 6.470 -4.100 -9.760 1.00 0.00 H new ATOM 0 HD3 ARG A 26 7.751 -3.324 -8.850 1.00 0.00 H new ATOM 0 HE ARG A 26 7.708 -1.518 -10.323 1.00 0.00 H new ATOM 0 HH11 ARG A 26 5.983 -4.273 -11.713 1.00 0.00 H new ATOM 0 HH12 ARG A 26 5.339 -3.334 -13.063 1.00 0.00 H new ATOM 0 HH21 ARG A 26 6.872 -0.324 -12.059 1.00 0.00 H new ATOM 0 HH22 ARG A 26 5.840 -1.109 -13.258 1.00 0.00 H new ATOM 402 N ILE A 27 11.096 -2.506 -7.639 1.00 0.00 N ATOM 403 CA ILE A 27 11.065 -2.083 -6.244 1.00 0.00 C ATOM 404 C ILE A 27 10.970 -0.564 -6.112 1.00 0.00 C ATOM 405 O ILE A 27 10.420 -0.055 -5.136 1.00 0.00 O ATOM 406 CB ILE A 27 12.311 -2.575 -5.483 1.00 0.00 C ATOM 407 CG1 ILE A 27 12.494 -4.081 -5.676 1.00 0.00 C ATOM 408 CG2 ILE A 27 12.200 -2.237 -4.002 1.00 0.00 C ATOM 409 CD1 ILE A 27 13.918 -4.549 -5.466 1.00 0.00 C ATOM 0 H ILE A 27 11.959 -2.974 -7.917 1.00 0.00 H new ATOM 0 HA ILE A 27 10.173 -2.530 -5.806 1.00 0.00 H new ATOM 0 HB ILE A 27 13.186 -2.066 -5.887 1.00 0.00 H new ATOM 0 HG12 ILE A 27 11.840 -4.610 -4.983 1.00 0.00 H new ATOM 0 HG13 ILE A 27 12.176 -4.351 -6.683 1.00 0.00 H new ATOM 0 HG21 ILE A 27 13.089 -2.592 -3.480 1.00 0.00 H new ATOM 0 HG22 ILE A 27 12.115 -1.157 -3.881 1.00 0.00 H new ATOM 0 HG23 ILE A 27 11.317 -2.720 -3.584 1.00 0.00 H new ATOM 0 HD11 ILE A 27 13.973 -5.627 -5.619 1.00 0.00 H new ATOM 0 HD12 ILE A 27 14.574 -4.047 -6.177 1.00 0.00 H new ATOM 0 HD13 ILE A 27 14.233 -4.310 -4.450 1.00 0.00 H new ATOM 421 N GLU A 28 11.518 0.154 -7.085 1.00 0.00 N ATOM 422 CA GLU A 28 11.502 1.614 -7.058 1.00 0.00 C ATOM 423 C GLU A 28 10.078 2.163 -7.130 1.00 0.00 C ATOM 424 O GLU A 28 9.657 2.925 -6.262 1.00 0.00 O ATOM 425 CB GLU A 28 12.333 2.175 -8.213 1.00 0.00 C ATOM 426 CG GLU A 28 13.827 2.204 -7.931 1.00 0.00 C ATOM 427 CD GLU A 28 14.366 3.613 -7.784 1.00 0.00 C ATOM 428 OE1 GLU A 28 13.835 4.524 -8.452 1.00 0.00 O ATOM 429 OE2 GLU A 28 15.321 3.804 -7.001 1.00 0.00 O ATOM 0 H GLU A 28 11.978 -0.249 -7.901 1.00 0.00 H new ATOM 0 HA GLU A 28 11.938 1.930 -6.110 1.00 0.00 H new ATOM 0 HB2 GLU A 28 12.152 1.575 -9.105 1.00 0.00 H new ATOM 0 HB3 GLU A 28 11.994 3.187 -8.435 1.00 0.00 H new ATOM 0 HG2 GLU A 28 14.032 1.644 -7.019 1.00 0.00 H new ATOM 0 HG3 GLU A 28 14.355 1.700 -8.740 1.00 0.00 H new ATOM 436 N GLU A 29 9.343 1.779 -8.169 1.00 0.00 N ATOM 437 CA GLU A 29 7.969 2.245 -8.348 1.00 0.00 C ATOM 438 C GLU A 29 7.086 1.828 -7.174 1.00 0.00 C ATOM 439 O GLU A 29 6.089 2.484 -6.873 1.00 0.00 O ATOM 440 CB GLU A 29 7.388 1.699 -9.657 1.00 0.00 C ATOM 441 CG GLU A 29 5.920 2.041 -9.867 1.00 0.00 C ATOM 442 CD GLU A 29 5.668 2.755 -11.181 1.00 0.00 C ATOM 443 OE1 GLU A 29 6.466 3.647 -11.533 1.00 0.00 O ATOM 444 OE2 GLU A 29 4.670 2.423 -11.855 1.00 0.00 O ATOM 0 H GLU A 29 9.673 1.148 -8.899 1.00 0.00 H new ATOM 0 HA GLU A 29 7.989 3.334 -8.391 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.966 2.093 -10.493 1.00 0.00 H new ATOM 0 HB3 GLU A 29 7.505 0.615 -9.671 1.00 0.00 H new ATOM 0 HG2 GLU A 29 5.330 1.125 -9.837 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.576 2.669 -9.045 1.00 0.00 H new ATOM 451 N LEU A 30 7.452 0.732 -6.522 1.00 0.00 N ATOM 452 CA LEU A 30 6.688 0.225 -5.390 1.00 0.00 C ATOM 453 C LEU A 30 6.949 1.040 -4.128 1.00 0.00 C ATOM 454 O LEU A 30 6.148 1.021 -3.198 1.00 0.00 O ATOM 455 CB LEU A 30 7.027 -1.244 -5.134 1.00 0.00 C ATOM 456 CG LEU A 30 6.625 -2.203 -6.251 1.00 0.00 C ATOM 457 CD1 LEU A 30 7.158 -3.602 -5.974 1.00 0.00 C ATOM 458 CD2 LEU A 30 5.115 -2.227 -6.416 1.00 0.00 C ATOM 0 H LEU A 30 8.274 0.177 -6.758 1.00 0.00 H new ATOM 0 HA LEU A 30 5.631 0.315 -5.641 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.101 -1.330 -4.971 1.00 0.00 H new ATOM 0 HB3 LEU A 30 6.538 -1.559 -4.212 1.00 0.00 H new ATOM 0 HG LEU A 30 7.065 -1.849 -7.183 1.00 0.00 H new ATOM 0 HD11 LEU A 30 6.861 -4.271 -6.782 1.00 0.00 H new ATOM 0 HD12 LEU A 30 8.246 -3.571 -5.910 1.00 0.00 H new ATOM 0 HD13 LEU A 30 6.750 -3.967 -5.032 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.847 -2.916 -7.217 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.652 -2.555 -5.485 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.760 -1.227 -6.665 1.00 0.00 H new ATOM 470 N LYS A 31 8.078 1.738 -4.095 1.00 0.00 N ATOM 471 CA LYS A 31 8.447 2.544 -2.936 1.00 0.00 C ATOM 472 C LYS A 31 7.690 3.870 -2.902 1.00 0.00 C ATOM 473 O LYS A 31 6.983 4.163 -1.944 1.00 0.00 O ATOM 474 CB LYS A 31 9.953 2.808 -2.949 1.00 0.00 C ATOM 475 CG LYS A 31 10.440 3.620 -1.762 1.00 0.00 C ATOM 476 CD LYS A 31 11.792 3.131 -1.274 1.00 0.00 C ATOM 477 CE LYS A 31 12.512 4.198 -0.464 1.00 0.00 C ATOM 478 NZ LYS A 31 13.992 4.049 -0.539 1.00 0.00 N ATOM 0 H LYS A 31 8.755 1.763 -4.858 1.00 0.00 H new ATOM 0 HA LYS A 31 8.176 1.984 -2.041 1.00 0.00 H new ATOM 0 HB2 LYS A 31 10.480 1.854 -2.966 1.00 0.00 H new ATOM 0 HB3 LYS A 31 10.213 3.333 -3.868 1.00 0.00 H new ATOM 0 HG2 LYS A 31 10.511 4.671 -2.043 1.00 0.00 H new ATOM 0 HG3 LYS A 31 9.714 3.555 -0.952 1.00 0.00 H new ATOM 0 HD2 LYS A 31 11.658 2.238 -0.664 1.00 0.00 H new ATOM 0 HD3 LYS A 31 12.406 2.845 -2.128 1.00 0.00 H new ATOM 0 HE2 LYS A 31 12.228 5.185 -0.830 1.00 0.00 H new ATOM 0 HE3 LYS A 31 12.194 4.140 0.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 14.445 4.795 0.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 14.266 3.118 -0.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 14.299 4.130 -1.529 1.00 0.00 H new ATOM 492 N LYS A 32 7.857 4.674 -3.945 1.00 0.00 N ATOM 493 CA LYS A 32 7.203 5.978 -4.030 1.00 0.00 C ATOM 494 C LYS A 32 5.692 5.868 -3.823 1.00 0.00 C ATOM 495 O LYS A 32 5.071 6.751 -3.232 1.00 0.00 O ATOM 496 CB LYS A 32 7.495 6.621 -5.388 1.00 0.00 C ATOM 497 CG LYS A 32 7.935 8.072 -5.291 1.00 0.00 C ATOM 498 CD LYS A 32 8.677 8.512 -6.542 1.00 0.00 C ATOM 499 CE LYS A 32 9.693 9.601 -6.234 1.00 0.00 C ATOM 500 NZ LYS A 32 9.035 10.892 -5.889 1.00 0.00 N ATOM 0 H LYS A 32 8.442 4.446 -4.749 1.00 0.00 H new ATOM 0 HA LYS A 32 7.605 6.603 -3.233 1.00 0.00 H new ATOM 0 HB2 LYS A 32 8.272 6.047 -5.893 1.00 0.00 H new ATOM 0 HB3 LYS A 32 6.601 6.562 -6.009 1.00 0.00 H new ATOM 0 HG2 LYS A 32 7.063 8.709 -5.141 1.00 0.00 H new ATOM 0 HG3 LYS A 32 8.578 8.201 -4.420 1.00 0.00 H new ATOM 0 HD2 LYS A 32 9.184 7.655 -6.986 1.00 0.00 H new ATOM 0 HD3 LYS A 32 7.963 8.877 -7.280 1.00 0.00 H new ATOM 0 HE2 LYS A 32 10.326 9.283 -5.406 1.00 0.00 H new ATOM 0 HE3 LYS A 32 10.344 9.744 -7.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 9.761 11.608 -5.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 8.451 11.209 -6.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 8.433 10.762 -5.051 1.00 0.00 H new ATOM 514 N LYS A 33 5.109 4.787 -4.324 1.00 0.00 N ATOM 515 CA LYS A 33 3.670 4.563 -4.212 1.00 0.00 C ATOM 516 C LYS A 33 3.290 3.973 -2.853 1.00 0.00 C ATOM 517 O LYS A 33 2.152 4.107 -2.410 1.00 0.00 O ATOM 518 CB LYS A 33 3.193 3.642 -5.337 1.00 0.00 C ATOM 519 CG LYS A 33 2.015 4.200 -6.119 1.00 0.00 C ATOM 520 CD LYS A 33 0.785 4.354 -5.240 1.00 0.00 C ATOM 521 CE LYS A 33 0.337 3.019 -4.669 1.00 0.00 C ATOM 522 NZ LYS A 33 -1.127 2.994 -4.399 1.00 0.00 N ATOM 0 H LYS A 33 5.611 4.047 -4.814 1.00 0.00 H new ATOM 0 HA LYS A 33 3.177 5.531 -4.301 1.00 0.00 H new ATOM 0 HB2 LYS A 33 4.021 3.460 -6.023 1.00 0.00 H new ATOM 0 HB3 LYS A 33 2.913 2.678 -4.912 1.00 0.00 H new ATOM 0 HG2 LYS A 33 2.284 5.168 -6.543 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.786 3.539 -6.955 1.00 0.00 H new ATOM 0 HD2 LYS A 33 1.003 5.044 -4.425 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -0.026 4.793 -5.821 1.00 0.00 H new ATOM 0 HE2 LYS A 33 0.591 2.222 -5.368 1.00 0.00 H new ATOM 0 HE3 LYS A 33 0.880 2.819 -3.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -1.517 2.074 -4.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -1.295 3.140 -3.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -1.593 3.751 -4.939 1.00 0.00 H new ATOM 536 N CYS A 34 4.238 3.296 -2.214 1.00 0.00 N ATOM 537 CA CYS A 34 3.992 2.659 -0.920 1.00 0.00 C ATOM 538 C CYS A 34 3.665 3.677 0.175 1.00 0.00 C ATOM 539 O CYS A 34 2.617 3.596 0.815 1.00 0.00 O ATOM 540 CB CYS A 34 5.222 1.846 -0.506 1.00 0.00 C ATOM 541 SG CYS A 34 4.872 0.096 -0.148 1.00 0.00 S ATOM 0 H CYS A 34 5.186 3.173 -2.570 1.00 0.00 H new ATOM 0 HA CYS A 34 3.126 2.008 -1.036 1.00 0.00 H new ATOM 0 HB2 CYS A 34 5.965 1.901 -1.302 1.00 0.00 H new ATOM 0 HB3 CYS A 34 5.666 2.304 0.377 1.00 0.00 H new ATOM 546 N GLU A 35 4.577 4.618 0.400 1.00 0.00 N ATOM 547 CA GLU A 35 4.393 5.632 1.435 1.00 0.00 C ATOM 548 C GLU A 35 3.275 6.607 1.083 1.00 0.00 C ATOM 549 O GLU A 35 2.441 6.928 1.924 1.00 0.00 O ATOM 550 CB GLU A 35 5.698 6.395 1.675 1.00 0.00 C ATOM 551 CG GLU A 35 6.333 6.921 0.402 1.00 0.00 C ATOM 552 CD GLU A 35 6.582 8.415 0.446 1.00 0.00 C ATOM 553 OE1 GLU A 35 5.600 9.177 0.570 1.00 0.00 O ATOM 554 OE2 GLU A 35 7.759 8.824 0.357 1.00 0.00 O ATOM 0 H GLU A 35 5.451 4.700 -0.120 1.00 0.00 H new ATOM 0 HA GLU A 35 4.106 5.113 2.350 1.00 0.00 H new ATOM 0 HB2 GLU A 35 5.503 7.231 2.347 1.00 0.00 H new ATOM 0 HB3 GLU A 35 6.406 5.738 2.181 1.00 0.00 H new ATOM 0 HG2 GLU A 35 7.278 6.404 0.232 1.00 0.00 H new ATOM 0 HG3 GLU A 35 5.686 6.689 -0.444 1.00 0.00 H new ATOM 561 N GLU A 36 3.258 7.072 -0.162 1.00 0.00 N ATOM 562 CA GLU A 36 2.232 8.007 -0.612 1.00 0.00 C ATOM 563 C GLU A 36 0.836 7.438 -0.368 1.00 0.00 C ATOM 564 O GLU A 36 -0.131 8.178 -0.189 1.00 0.00 O ATOM 565 CB GLU A 36 2.416 8.325 -2.097 1.00 0.00 C ATOM 566 CG GLU A 36 1.403 9.321 -2.638 1.00 0.00 C ATOM 567 CD GLU A 36 1.561 9.562 -4.127 1.00 0.00 C ATOM 568 OE1 GLU A 36 2.715 9.605 -4.602 1.00 0.00 O ATOM 569 OE2 GLU A 36 0.531 9.708 -4.817 1.00 0.00 O ATOM 0 H GLU A 36 3.941 6.818 -0.876 1.00 0.00 H new ATOM 0 HA GLU A 36 2.336 8.928 -0.038 1.00 0.00 H new ATOM 0 HB2 GLU A 36 3.420 8.720 -2.253 1.00 0.00 H new ATOM 0 HB3 GLU A 36 2.344 7.400 -2.669 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.396 8.955 -2.438 1.00 0.00 H new ATOM 0 HG3 GLU A 36 1.510 10.267 -2.107 1.00 0.00 H new ATOM 576 N LEU A 37 0.747 6.114 -0.374 1.00 0.00 N ATOM 577 CA LEU A 37 -0.517 5.421 -0.166 1.00 0.00 C ATOM 578 C LEU A 37 -0.986 5.543 1.283 1.00 0.00 C ATOM 579 O LEU A 37 -2.169 5.756 1.546 1.00 0.00 O ATOM 580 CB LEU A 37 -0.360 3.946 -0.554 1.00 0.00 C ATOM 581 CG LEU A 37 -1.451 2.998 -0.046 1.00 0.00 C ATOM 582 CD1 LEU A 37 -2.838 3.564 -0.318 1.00 0.00 C ATOM 583 CD2 LEU A 37 -1.301 1.629 -0.690 1.00 0.00 C ATOM 0 H LEU A 37 1.543 5.494 -0.522 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.275 5.885 -0.797 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.325 3.879 -1.641 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.602 3.593 -0.182 1.00 0.00 H new ATOM 0 HG LEU A 37 -1.335 2.894 1.033 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.593 2.871 0.053 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -2.946 4.523 0.189 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.970 3.704 -1.391 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.083 0.965 -0.320 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.388 1.725 -1.772 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.324 1.214 -0.440 1.00 0.00 H new ATOM 595 N LYS A 38 -0.053 5.399 2.219 1.00 0.00 N ATOM 596 CA LYS A 38 -0.373 5.485 3.641 1.00 0.00 C ATOM 597 C LYS A 38 -1.012 6.828 3.992 1.00 0.00 C ATOM 598 O LYS A 38 -2.125 6.878 4.515 1.00 0.00 O ATOM 599 CB LYS A 38 0.890 5.274 4.479 1.00 0.00 C ATOM 600 CG LYS A 38 0.992 3.884 5.086 1.00 0.00 C ATOM 601 CD LYS A 38 1.544 3.933 6.502 1.00 0.00 C ATOM 602 CE LYS A 38 2.352 2.687 6.830 1.00 0.00 C ATOM 603 NZ LYS A 38 1.572 1.721 7.653 1.00 0.00 N ATOM 0 H LYS A 38 0.931 5.222 2.019 1.00 0.00 H new ATOM 0 HA LYS A 38 -1.094 4.700 3.867 1.00 0.00 H new ATOM 0 HB2 LYS A 38 1.765 5.454 3.854 1.00 0.00 H new ATOM 0 HB3 LYS A 38 0.913 6.014 5.279 1.00 0.00 H new ATOM 0 HG2 LYS A 38 0.007 3.416 5.094 1.00 0.00 H new ATOM 0 HG3 LYS A 38 1.636 3.261 4.465 1.00 0.00 H new ATOM 0 HD2 LYS A 38 2.172 4.816 6.618 1.00 0.00 H new ATOM 0 HD3 LYS A 38 0.722 4.031 7.211 1.00 0.00 H new ATOM 0 HE2 LYS A 38 2.667 2.204 5.905 1.00 0.00 H new ATOM 0 HE3 LYS A 38 3.258 2.972 7.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 2.211 1.230 8.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 0.846 2.233 8.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 1.114 1.025 7.030 1.00 0.00 H new ATOM 617 N LYS A 39 -0.296 7.913 3.709 1.00 0.00 N ATOM 618 CA LYS A 39 -0.785 9.257 4.002 1.00 0.00 C ATOM 619 C LYS A 39 -2.186 9.477 3.435 1.00 0.00 C ATOM 620 O LYS A 39 -2.962 10.269 3.969 1.00 0.00 O ATOM 621 CB LYS A 39 0.179 10.302 3.435 1.00 0.00 C ATOM 622 CG LYS A 39 0.246 10.310 1.918 1.00 0.00 C ATOM 623 CD LYS A 39 1.327 11.253 1.413 1.00 0.00 C ATOM 624 CE LYS A 39 0.837 12.088 0.242 1.00 0.00 C ATOM 625 NZ LYS A 39 1.542 13.397 0.161 1.00 0.00 N ATOM 0 H LYS A 39 0.627 7.887 3.276 1.00 0.00 H new ATOM 0 HA LYS A 39 -0.840 9.365 5.085 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -0.125 11.290 3.782 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.177 10.117 3.833 1.00 0.00 H new ATOM 0 HG2 LYS A 39 0.444 9.301 1.556 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -0.720 10.611 1.512 1.00 0.00 H new ATOM 0 HD2 LYS A 39 1.644 11.911 2.222 1.00 0.00 H new ATOM 0 HD3 LYS A 39 2.201 10.677 1.109 1.00 0.00 H new ATOM 0 HE2 LYS A 39 0.988 11.536 -0.686 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -0.235 12.258 0.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 1.179 13.937 -0.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 1.377 13.935 1.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 2.562 13.235 0.041 1.00 0.00 H new ATOM 639 N LYS A 40 -2.503 8.773 2.354 1.00 0.00 N ATOM 640 CA LYS A 40 -3.812 8.897 1.722 1.00 0.00 C ATOM 641 C LYS A 40 -4.900 8.272 2.590 1.00 0.00 C ATOM 642 O LYS A 40 -6.061 8.672 2.525 1.00 0.00 O ATOM 643 CB LYS A 40 -3.801 8.237 0.343 1.00 0.00 C ATOM 644 CG LYS A 40 -5.118 8.368 -0.405 1.00 0.00 C ATOM 645 CD LYS A 40 -4.907 8.367 -1.910 1.00 0.00 C ATOM 646 CE LYS A 40 -5.990 9.157 -2.627 1.00 0.00 C ATOM 647 NZ LYS A 40 -6.459 8.465 -3.859 1.00 0.00 N ATOM 0 H LYS A 40 -1.874 8.112 1.898 1.00 0.00 H new ATOM 0 HA LYS A 40 -4.031 9.959 1.607 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -3.006 8.681 -0.257 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -3.561 7.180 0.457 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -5.778 7.546 -0.129 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -5.616 9.290 -0.107 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -3.931 8.794 -2.141 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -4.901 7.341 -2.277 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -6.833 9.311 -1.954 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -5.607 10.143 -2.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -6.674 9.170 -4.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -5.715 7.824 -4.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -7.316 7.917 -3.644 1.00 0.00 H new ATOM 661 N ILE A 41 -4.520 7.294 3.404 1.00 0.00 N ATOM 662 CA ILE A 41 -5.469 6.624 4.285 1.00 0.00 C ATOM 663 C ILE A 41 -5.776 7.486 5.503 1.00 0.00 C ATOM 664 O ILE A 41 -6.870 7.421 6.063 1.00 0.00 O ATOM 665 CB ILE A 41 -4.941 5.255 4.756 1.00 0.00 C ATOM 666 CG1 ILE A 41 -4.290 4.505 3.589 1.00 0.00 C ATOM 667 CG2 ILE A 41 -6.071 4.434 5.366 1.00 0.00 C ATOM 668 CD1 ILE A 41 -3.849 3.098 3.937 1.00 0.00 C ATOM 0 H ILE A 41 -3.563 6.948 3.472 1.00 0.00 H new ATOM 0 HA ILE A 41 -6.381 6.466 3.709 1.00 0.00 H new ATOM 0 HB ILE A 41 -4.183 5.416 5.523 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -4.996 4.460 2.759 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -3.426 5.071 3.242 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -5.684 3.469 5.694 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -6.488 4.967 6.220 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -6.850 4.277 4.620 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -3.398 2.631 3.061 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -3.119 3.135 4.745 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -4.713 2.514 4.255 1.00 0.00 H new ATOM 680 N GLU A 42 -4.804 8.300 5.906 1.00 0.00 N ATOM 681 CA GLU A 42 -4.975 9.182 7.053 1.00 0.00 C ATOM 682 C GLU A 42 -6.032 10.239 6.758 1.00 0.00 C ATOM 683 O GLU A 42 -6.836 10.589 7.622 1.00 0.00 O ATOM 684 CB GLU A 42 -3.646 9.852 7.412 1.00 0.00 C ATOM 685 CG GLU A 42 -2.939 9.206 8.593 1.00 0.00 C ATOM 686 CD GLU A 42 -1.445 9.070 8.375 1.00 0.00 C ATOM 687 OE1 GLU A 42 -1.031 8.125 7.672 1.00 0.00 O ATOM 688 OE2 GLU A 42 -0.688 9.910 8.907 1.00 0.00 O ATOM 0 H GLU A 42 -3.892 8.366 5.455 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.307 8.584 7.902 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -2.987 9.822 6.544 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -3.828 10.903 7.638 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.119 9.800 9.489 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.367 8.220 8.773 1.00 0.00 H new ATOM 695 N GLU A 43 -6.027 10.739 5.526 1.00 0.00 N ATOM 696 CA GLU A 43 -6.989 11.751 5.109 1.00 0.00 C ATOM 697 C GLU A 43 -8.394 11.156 5.051 1.00 0.00 C ATOM 698 O GLU A 43 -9.380 11.824 5.358 1.00 0.00 O ATOM 699 CB GLU A 43 -6.592 12.328 3.743 1.00 0.00 C ATOM 700 CG GLU A 43 -7.102 11.530 2.550 1.00 0.00 C ATOM 701 CD GLU A 43 -6.181 11.622 1.350 1.00 0.00 C ATOM 702 OE1 GLU A 43 -4.996 11.972 1.536 1.00 0.00 O ATOM 703 OE2 GLU A 43 -6.643 11.344 0.224 1.00 0.00 O ATOM 0 H GLU A 43 -5.367 10.459 4.800 1.00 0.00 H new ATOM 0 HA GLU A 43 -6.987 12.559 5.841 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -6.969 13.348 3.670 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -5.505 12.385 3.688 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -7.214 10.485 2.838 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -8.092 11.892 2.272 1.00 0.00 H new ATOM 710 N LEU A 44 -8.464 9.891 4.654 1.00 0.00 N ATOM 711 CA LEU A 44 -9.734 9.181 4.550 1.00 0.00 C ATOM 712 C LEU A 44 -10.509 9.250 5.863 1.00 0.00 C ATOM 713 O LEU A 44 -10.046 9.842 6.837 1.00 0.00 O ATOM 714 CB LEU A 44 -9.487 7.720 4.164 1.00 0.00 C ATOM 715 CG LEU A 44 -9.520 7.428 2.663 1.00 0.00 C ATOM 716 CD1 LEU A 44 -8.845 6.098 2.363 1.00 0.00 C ATOM 717 CD2 LEU A 44 -10.953 7.428 2.153 1.00 0.00 C ATOM 0 H LEU A 44 -7.650 9.332 4.397 1.00 0.00 H new ATOM 0 HA LEU A 44 -10.331 9.662 3.776 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -8.516 7.417 4.556 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -10.237 7.100 4.655 1.00 0.00 H new ATOM 0 HG LEU A 44 -8.971 8.215 2.146 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -8.878 5.907 1.290 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -7.807 6.134 2.693 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -9.366 5.299 2.890 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -10.958 7.219 1.083 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -11.525 6.662 2.676 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -11.404 8.404 2.334 1.00 0.00 H new ATOM 729 N GLY A 45 -11.690 8.641 5.880 1.00 0.00 N ATOM 730 CA GLY A 45 -12.509 8.646 7.078 1.00 0.00 C ATOM 731 C GLY A 45 -13.297 7.362 7.247 1.00 0.00 C ATOM 732 O GLY A 45 -13.049 6.591 8.174 1.00 0.00 O ATOM 0 H GLY A 45 -12.094 8.144 5.086 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -11.872 8.795 7.950 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -13.198 9.489 7.040 1.00 0.00 H new ATOM 736 N GLY A 46 -14.252 7.134 6.350 1.00 0.00 N ATOM 737 CA GLY A 46 -15.064 5.935 6.422 1.00 0.00 C ATOM 738 C GLY A 46 -16.503 6.186 6.016 1.00 0.00 C ATOM 739 O GLY A 46 -17.329 6.574 6.842 1.00 0.00 O ATOM 0 H GLY A 46 -14.477 7.758 5.576 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -14.635 5.170 5.775 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -15.039 5.543 7.439 1.00 0.00 H new ATOM 743 N GLY A 47 -16.804 5.965 4.741 1.00 0.00 N ATOM 744 CA GLY A 47 -18.153 6.175 4.250 1.00 0.00 C ATOM 745 C GLY A 47 -18.316 5.768 2.799 1.00 0.00 C ATOM 746 O GLY A 47 -19.355 5.231 2.413 1.00 0.00 O ATOM 0 H GLY A 47 -16.138 5.644 4.039 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -18.852 5.606 4.864 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -18.416 7.227 4.360 1.00 0.00 H new ATOM 750 N GLY A 48 -17.291 6.023 1.993 1.00 0.00 N ATOM 751 CA GLY A 48 -17.351 5.672 0.586 1.00 0.00 C ATOM 752 C GLY A 48 -16.012 5.814 -0.112 1.00 0.00 C ATOM 753 O GLY A 48 -15.649 4.985 -0.946 1.00 0.00 O ATOM 0 H GLY A 48 -16.421 6.466 2.288 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -17.700 4.644 0.487 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -18.084 6.307 0.089 1.00 0.00 H new ATOM 757 N GLU A 49 -15.276 6.868 0.226 1.00 0.00 N ATOM 758 CA GLU A 49 -13.971 7.114 -0.380 1.00 0.00 C ATOM 759 C GLU A 49 -12.964 6.032 0.000 1.00 0.00 C ATOM 760 O GLU A 49 -11.908 5.917 -0.615 1.00 0.00 O ATOM 761 CB GLU A 49 -13.436 8.485 0.028 1.00 0.00 C ATOM 762 CG GLU A 49 -12.252 8.938 -0.808 1.00 0.00 C ATOM 763 CD GLU A 49 -11.211 9.679 0.008 1.00 0.00 C ATOM 764 OE1 GLU A 49 -11.592 10.336 1.000 1.00 0.00 O ATOM 765 OE2 GLU A 49 -10.016 9.604 -0.346 1.00 0.00 O ATOM 0 H GLU A 49 -15.560 7.565 0.915 1.00 0.00 H new ATOM 0 HA GLU A 49 -14.106 7.091 -1.461 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -14.236 9.220 -0.058 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -13.142 8.456 1.077 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -11.790 8.069 -1.277 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -12.605 9.584 -1.612 1.00 0.00 H new ATOM 772 N VAL A 50 -13.289 5.239 1.013 1.00 0.00 N ATOM 773 CA VAL A 50 -12.400 4.172 1.452 1.00 0.00 C ATOM 774 C VAL A 50 -12.235 3.107 0.367 1.00 0.00 C ATOM 775 O VAL A 50 -11.337 2.268 0.441 1.00 0.00 O ATOM 776 CB VAL A 50 -12.919 3.500 2.737 1.00 0.00 C ATOM 777 CG1 VAL A 50 -11.885 2.530 3.288 1.00 0.00 C ATOM 778 CG2 VAL A 50 -13.284 4.549 3.777 1.00 0.00 C ATOM 0 H VAL A 50 -14.157 5.314 1.543 1.00 0.00 H new ATOM 0 HA VAL A 50 -11.433 4.633 1.655 1.00 0.00 H new ATOM 0 HB VAL A 50 -13.818 2.935 2.492 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -12.270 2.065 4.196 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -11.677 1.759 2.546 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -10.966 3.069 3.518 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -13.649 4.056 4.678 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -12.403 5.143 4.019 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -14.062 5.200 3.379 1.00 0.00 H new ATOM 788 N LYS A 51 -13.115 3.138 -0.632 1.00 0.00 N ATOM 789 CA LYS A 51 -13.077 2.167 -1.722 1.00 0.00 C ATOM 790 C LYS A 51 -11.923 2.430 -2.691 1.00 0.00 C ATOM 791 O LYS A 51 -11.139 1.528 -2.983 1.00 0.00 O ATOM 792 CB LYS A 51 -14.405 2.179 -2.482 1.00 0.00 C ATOM 793 CG LYS A 51 -14.999 0.794 -2.690 1.00 0.00 C ATOM 794 CD LYS A 51 -15.439 0.584 -4.130 1.00 0.00 C ATOM 795 CE LYS A 51 -15.164 -0.837 -4.594 1.00 0.00 C ATOM 796 NZ LYS A 51 -16.045 -1.825 -3.913 1.00 0.00 N ATOM 0 H LYS A 51 -13.864 3.826 -0.708 1.00 0.00 H new ATOM 0 HA LYS A 51 -12.915 1.186 -1.276 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -15.121 2.794 -1.937 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -14.254 2.650 -3.453 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -14.262 0.037 -2.420 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -15.852 0.660 -2.025 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -16.504 0.798 -4.221 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -14.916 1.287 -4.778 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -15.312 -0.902 -5.672 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -14.121 -1.087 -4.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -15.825 -2.781 -4.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -15.886 -1.782 -2.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -17.040 -1.603 -4.119 1.00 0.00 H new ATOM 810 N LYS A 52 -11.827 3.657 -3.201 1.00 0.00 N ATOM 811 CA LYS A 52 -10.769 4.000 -4.153 1.00 0.00 C ATOM 812 C LYS A 52 -9.386 3.678 -3.593 1.00 0.00 C ATOM 813 O LYS A 52 -8.626 2.922 -4.197 1.00 0.00 O ATOM 814 CB LYS A 52 -10.842 5.480 -4.542 1.00 0.00 C ATOM 815 CG LYS A 52 -11.042 6.419 -3.366 1.00 0.00 C ATOM 816 CD LYS A 52 -12.071 7.498 -3.675 1.00 0.00 C ATOM 817 CE LYS A 52 -11.422 8.867 -3.803 1.00 0.00 C ATOM 818 NZ LYS A 52 -12.434 9.951 -3.933 1.00 0.00 N ATOM 0 H LYS A 52 -12.461 4.423 -2.975 1.00 0.00 H new ATOM 0 HA LYS A 52 -10.927 3.392 -5.044 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -9.923 5.754 -5.061 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -11.660 5.619 -5.248 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -11.364 5.848 -2.495 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -10.092 6.886 -3.107 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -12.590 7.252 -4.601 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -12.822 7.523 -2.885 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -10.798 9.056 -2.930 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -10.765 8.877 -4.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -12.115 10.789 -3.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -12.552 10.197 -4.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -13.343 9.625 -3.547 1.00 0.00 H new ATOM 832 N VAL A 53 -9.065 4.255 -2.441 1.00 0.00 N ATOM 833 CA VAL A 53 -7.771 4.025 -1.805 1.00 0.00 C ATOM 834 C VAL A 53 -7.521 2.537 -1.583 1.00 0.00 C ATOM 835 O VAL A 53 -6.379 2.078 -1.614 1.00 0.00 O ATOM 836 CB VAL A 53 -7.667 4.758 -0.454 1.00 0.00 C ATOM 837 CG1 VAL A 53 -6.240 4.710 0.072 1.00 0.00 C ATOM 838 CG2 VAL A 53 -8.147 6.196 -0.586 1.00 0.00 C ATOM 0 H VAL A 53 -9.681 4.885 -1.928 1.00 0.00 H new ATOM 0 HA VAL A 53 -7.015 4.420 -2.483 1.00 0.00 H new ATOM 0 HB VAL A 53 -8.311 4.250 0.264 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -6.186 5.233 1.027 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -5.938 3.672 0.209 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -5.572 5.191 -0.643 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -8.066 6.697 0.379 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -7.533 6.719 -1.319 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -9.187 6.204 -0.912 1.00 0.00 H new ATOM 848 N GLU A 54 -8.596 1.787 -1.358 1.00 0.00 N ATOM 849 CA GLU A 54 -8.489 0.350 -1.133 1.00 0.00 C ATOM 850 C GLU A 54 -7.901 -0.346 -2.356 1.00 0.00 C ATOM 851 O GLU A 54 -7.189 -1.344 -2.234 1.00 0.00 O ATOM 852 CB GLU A 54 -9.863 -0.238 -0.802 1.00 0.00 C ATOM 853 CG GLU A 54 -9.916 -0.934 0.549 1.00 0.00 C ATOM 854 CD GLU A 54 -9.031 -2.163 0.607 1.00 0.00 C ATOM 855 OE1 GLU A 54 -9.087 -2.979 -0.336 1.00 0.00 O ATOM 856 OE2 GLU A 54 -8.282 -2.310 1.596 1.00 0.00 O ATOM 0 H GLU A 54 -9.549 2.150 -1.327 1.00 0.00 H new ATOM 0 HA GLU A 54 -7.821 0.185 -0.288 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -10.605 0.560 -0.820 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -10.142 -0.949 -1.579 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -9.610 -0.234 1.326 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -10.945 -1.221 0.765 1.00 0.00 H new ATOM 863 N GLU A 55 -8.201 0.190 -3.533 1.00 0.00 N ATOM 864 CA GLU A 55 -7.702 -0.374 -4.783 1.00 0.00 C ATOM 865 C GLU A 55 -6.242 0.006 -5.005 1.00 0.00 C ATOM 866 O GLU A 55 -5.497 -0.716 -5.666 1.00 0.00 O ATOM 867 CB GLU A 55 -8.552 0.109 -5.961 1.00 0.00 C ATOM 868 CG GLU A 55 -8.186 -0.546 -7.282 1.00 0.00 C ATOM 869 CD GLU A 55 -9.006 -0.014 -8.442 1.00 0.00 C ATOM 870 OE1 GLU A 55 -9.227 1.214 -8.499 1.00 0.00 O ATOM 871 OE2 GLU A 55 -9.427 -0.826 -9.293 1.00 0.00 O ATOM 0 H GLU A 55 -8.788 1.016 -3.649 1.00 0.00 H new ATOM 0 HA GLU A 55 -7.771 -1.460 -4.716 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -9.602 -0.088 -5.746 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -8.444 1.189 -6.058 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -7.128 -0.382 -7.484 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -8.332 -1.623 -7.202 1.00 0.00 H new ATOM 878 N GLU A 56 -5.842 1.146 -4.452 1.00 0.00 N ATOM 879 CA GLU A 56 -4.472 1.630 -4.588 1.00 0.00 C ATOM 880 C GLU A 56 -3.495 0.731 -3.833 1.00 0.00 C ATOM 881 O GLU A 56 -2.334 0.597 -4.220 1.00 0.00 O ATOM 882 CB GLU A 56 -4.371 3.065 -4.067 1.00 0.00 C ATOM 883 CG GLU A 56 -4.678 4.117 -5.120 1.00 0.00 C ATOM 884 CD GLU A 56 -3.893 5.397 -4.912 1.00 0.00 C ATOM 885 OE1 GLU A 56 -2.704 5.311 -4.537 1.00 0.00 O ATOM 886 OE2 GLU A 56 -4.467 6.486 -5.121 1.00 0.00 O ATOM 0 H GLU A 56 -6.449 1.755 -3.903 1.00 0.00 H new ATOM 0 HA GLU A 56 -4.207 1.610 -5.645 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.059 3.188 -3.231 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.366 3.232 -3.680 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -4.453 3.714 -6.107 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -5.744 4.342 -5.103 1.00 0.00 H new ATOM 893 N VAL A 57 -3.975 0.119 -2.756 1.00 0.00 N ATOM 894 CA VAL A 57 -3.150 -0.767 -1.942 1.00 0.00 C ATOM 895 C VAL A 57 -3.101 -2.171 -2.533 1.00 0.00 C ATOM 896 O VAL A 57 -2.153 -2.918 -2.301 1.00 0.00 O ATOM 897 CB VAL A 57 -3.671 -0.852 -0.494 1.00 0.00 C ATOM 898 CG1 VAL A 57 -2.660 -1.560 0.396 1.00 0.00 C ATOM 899 CG2 VAL A 57 -3.991 0.536 0.046 1.00 0.00 C ATOM 0 H VAL A 57 -4.935 0.221 -2.425 1.00 0.00 H new ATOM 0 HA VAL A 57 -2.146 -0.342 -1.935 1.00 0.00 H new ATOM 0 HB VAL A 57 -4.592 -1.435 -0.494 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -3.045 -1.611 1.415 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.490 -2.569 0.022 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.720 -1.008 0.390 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -4.357 0.453 1.069 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -3.090 1.149 0.032 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -4.756 1.001 -0.576 1.00 0.00 H new ATOM 909 N LYS A 58 -4.134 -2.524 -3.288 1.00 0.00 N ATOM 910 CA LYS A 58 -4.222 -3.840 -3.909 1.00 0.00 C ATOM 911 C LYS A 58 -3.271 -3.959 -5.099 1.00 0.00 C ATOM 912 O LYS A 58 -2.828 -5.053 -5.439 1.00 0.00 O ATOM 913 CB LYS A 58 -5.658 -4.115 -4.361 1.00 0.00 C ATOM 914 CG LYS A 58 -6.356 -5.191 -3.547 1.00 0.00 C ATOM 915 CD LYS A 58 -6.323 -6.537 -4.255 1.00 0.00 C ATOM 916 CE LYS A 58 -7.653 -7.264 -4.134 1.00 0.00 C ATOM 917 NZ LYS A 58 -7.714 -8.460 -5.019 1.00 0.00 N ATOM 0 H LYS A 58 -4.927 -1.913 -3.486 1.00 0.00 H new ATOM 0 HA LYS A 58 -3.929 -4.581 -3.165 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -6.234 -3.192 -4.296 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -5.649 -4.413 -5.410 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -5.876 -5.280 -2.572 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -7.391 -4.899 -3.367 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -6.082 -6.389 -5.308 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -5.531 -7.153 -3.830 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -7.807 -7.570 -3.099 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -8.464 -6.582 -4.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -8.636 -8.928 -4.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -7.593 -8.166 -6.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -6.956 -9.123 -4.759 1.00 0.00 H new ATOM 931 N LYS A 59 -2.982 -2.834 -5.743 1.00 0.00 N ATOM 932 CA LYS A 59 -2.101 -2.825 -6.908 1.00 0.00 C ATOM 933 C LYS A 59 -0.635 -2.976 -6.510 1.00 0.00 C ATOM 934 O LYS A 59 0.136 -3.634 -7.208 1.00 0.00 O ATOM 935 CB LYS A 59 -2.293 -1.531 -7.706 1.00 0.00 C ATOM 936 CG LYS A 59 -1.332 -1.384 -8.879 1.00 0.00 C ATOM 937 CD LYS A 59 -0.279 -0.317 -8.613 1.00 0.00 C ATOM 938 CE LYS A 59 -0.842 1.082 -8.806 1.00 0.00 C ATOM 939 NZ LYS A 59 -1.112 1.757 -7.507 1.00 0.00 N ATOM 0 H LYS A 59 -3.343 -1.917 -5.480 1.00 0.00 H new ATOM 0 HA LYS A 59 -2.369 -3.680 -7.529 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -3.316 -1.494 -8.080 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -2.167 -0.680 -7.036 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -0.842 -2.339 -9.070 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -1.892 -1.127 -9.778 1.00 0.00 H new ATOM 0 HD2 LYS A 59 0.097 -0.422 -7.595 1.00 0.00 H new ATOM 0 HD3 LYS A 59 0.568 -0.465 -9.283 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -0.139 1.679 -9.386 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -1.764 1.025 -9.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -2.089 2.115 -7.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -0.985 1.078 -6.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -0.452 2.551 -7.384 1.00 0.00 H new ATOM 953 N LEU A 60 -0.245 -2.356 -5.400 1.00 0.00 N ATOM 954 CA LEU A 60 1.140 -2.427 -4.948 1.00 0.00 C ATOM 955 C LEU A 60 1.444 -3.755 -4.265 1.00 0.00 C ATOM 956 O LEU A 60 2.589 -4.194 -4.241 1.00 0.00 O ATOM 957 CB LEU A 60 1.470 -1.276 -4.000 1.00 0.00 C ATOM 958 CG LEU A 60 2.968 -1.028 -3.817 1.00 0.00 C ATOM 959 CD1 LEU A 60 3.299 0.442 -4.005 1.00 0.00 C ATOM 960 CD2 LEU A 60 3.429 -1.518 -2.453 1.00 0.00 C ATOM 0 H LEU A 60 -0.861 -1.805 -4.803 1.00 0.00 H new ATOM 0 HA LEU A 60 1.765 -2.346 -5.837 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.005 -0.365 -4.376 1.00 0.00 H new ATOM 0 HB3 LEU A 60 1.025 -1.482 -3.027 1.00 0.00 H new ATOM 0 HG LEU A 60 3.503 -1.593 -4.580 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.370 0.594 -3.870 1.00 0.00 H new ATOM 0 HD12 LEU A 60 3.012 0.754 -5.009 1.00 0.00 H new ATOM 0 HD13 LEU A 60 2.753 1.035 -3.271 1.00 0.00 H new ATOM 0 HD21 LEU A 60 4.497 -1.333 -2.342 1.00 0.00 H new ATOM 0 HD22 LEU A 60 2.885 -0.986 -1.672 1.00 0.00 H new ATOM 0 HD23 LEU A 60 3.235 -2.587 -2.366 1.00 0.00 H new ATOM 972 N GLU A 61 0.422 -4.391 -3.710 1.00 0.00 N ATOM 973 CA GLU A 61 0.599 -5.668 -3.033 1.00 0.00 C ATOM 974 C GLU A 61 0.908 -6.769 -4.042 1.00 0.00 C ATOM 975 O GLU A 61 1.922 -7.460 -3.937 1.00 0.00 O ATOM 976 CB GLU A 61 -0.658 -6.023 -2.237 1.00 0.00 C ATOM 977 CG GLU A 61 -0.365 -6.607 -0.867 1.00 0.00 C ATOM 978 CD GLU A 61 -1.542 -7.371 -0.294 1.00 0.00 C ATOM 979 OE1 GLU A 61 -1.987 -8.346 -0.936 1.00 0.00 O ATOM 980 OE2 GLU A 61 -2.020 -6.995 0.797 1.00 0.00 O ATOM 0 H GLU A 61 -0.537 -4.044 -3.715 1.00 0.00 H new ATOM 0 HA GLU A 61 1.440 -5.581 -2.345 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -1.268 -5.127 -2.118 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -1.250 -6.738 -2.808 1.00 0.00 H new ATOM 0 HG2 GLU A 61 0.496 -7.272 -0.936 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -0.092 -5.802 -0.184 1.00 0.00 H new ATOM 987 N GLU A 62 0.025 -6.919 -5.022 1.00 0.00 N ATOM 988 CA GLU A 62 0.190 -7.924 -6.064 1.00 0.00 C ATOM 989 C GLU A 62 1.444 -7.651 -6.891 1.00 0.00 C ATOM 990 O GLU A 62 2.034 -8.566 -7.466 1.00 0.00 O ATOM 991 CB GLU A 62 -1.040 -7.939 -6.973 1.00 0.00 C ATOM 992 CG GLU A 62 -1.456 -9.333 -7.413 1.00 0.00 C ATOM 993 CD GLU A 62 -2.809 -9.348 -8.097 1.00 0.00 C ATOM 994 OE1 GLU A 62 -3.649 -8.483 -7.771 1.00 0.00 O ATOM 995 OE2 GLU A 62 -3.028 -10.225 -8.959 1.00 0.00 O ATOM 0 H GLU A 62 -0.818 -6.353 -5.116 1.00 0.00 H new ATOM 0 HA GLU A 62 0.299 -8.898 -5.587 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -1.873 -7.469 -6.451 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -0.836 -7.334 -7.857 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.705 -9.735 -8.093 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -1.485 -9.991 -6.544 1.00 0.00 H new ATOM 1002 N GLU A 63 1.838 -6.383 -6.951 1.00 0.00 N ATOM 1003 CA GLU A 63 3.013 -5.978 -7.712 1.00 0.00 C ATOM 1004 C GLU A 63 4.285 -6.621 -7.161 1.00 0.00 C ATOM 1005 O GLU A 63 5.075 -7.193 -7.910 1.00 0.00 O ATOM 1006 CB GLU A 63 3.140 -4.452 -7.702 1.00 0.00 C ATOM 1007 CG GLU A 63 2.619 -3.793 -8.969 1.00 0.00 C ATOM 1008 CD GLU A 63 3.023 -2.336 -9.082 1.00 0.00 C ATOM 1009 OE1 GLU A 63 2.562 -1.526 -8.249 1.00 0.00 O ATOM 1010 OE2 GLU A 63 3.798 -2.004 -10.003 1.00 0.00 O ATOM 0 H GLU A 63 1.358 -5.616 -6.480 1.00 0.00 H new ATOM 0 HA GLU A 63 2.887 -6.322 -8.739 1.00 0.00 H new ATOM 0 HB2 GLU A 63 2.595 -4.055 -6.845 1.00 0.00 H new ATOM 0 HB3 GLU A 63 4.188 -4.183 -7.566 1.00 0.00 H new ATOM 0 HG2 GLU A 63 2.993 -4.337 -9.836 1.00 0.00 H new ATOM 0 HG3 GLU A 63 1.532 -3.867 -8.991 1.00 0.00 H new ATOM 1017 N ILE A 64 4.476 -6.526 -5.848 1.00 0.00 N ATOM 1018 CA ILE A 64 5.650 -7.101 -5.203 1.00 0.00 C ATOM 1019 C ILE A 64 5.739 -8.602 -5.463 1.00 0.00 C ATOM 1020 O ILE A 64 6.828 -9.177 -5.471 1.00 0.00 O ATOM 1021 CB ILE A 64 5.637 -6.856 -3.680 1.00 0.00 C ATOM 1022 CG1 ILE A 64 5.389 -5.374 -3.379 1.00 0.00 C ATOM 1023 CG2 ILE A 64 6.946 -7.319 -3.057 1.00 0.00 C ATOM 1024 CD1 ILE A 64 5.418 -5.037 -1.901 1.00 0.00 C ATOM 0 H ILE A 64 3.833 -6.056 -5.211 1.00 0.00 H new ATOM 0 HA ILE A 64 6.520 -6.605 -5.634 1.00 0.00 H new ATOM 0 HB ILE A 64 4.825 -7.435 -3.241 1.00 0.00 H new ATOM 0 HG12 ILE A 64 6.143 -4.777 -3.893 1.00 0.00 H new ATOM 0 HG13 ILE A 64 4.421 -5.087 -3.789 1.00 0.00 H new ATOM 0 HG21 ILE A 64 6.921 -7.139 -1.982 1.00 0.00 H new ATOM 0 HG22 ILE A 64 7.081 -8.384 -3.244 1.00 0.00 H new ATOM 0 HG23 ILE A 64 7.775 -6.765 -3.498 1.00 0.00 H new ATOM 0 HD11 ILE A 64 5.235 -3.971 -1.767 1.00 0.00 H new ATOM 0 HD12 ILE A 64 4.646 -5.606 -1.383 1.00 0.00 H new ATOM 0 HD13 ILE A 64 6.394 -5.292 -1.489 1.00 0.00 H new ATOM 1036 N LYS A 65 4.588 -9.230 -5.675 1.00 0.00 N ATOM 1037 CA LYS A 65 4.536 -10.665 -5.936 1.00 0.00 C ATOM 1038 C LYS A 65 5.175 -10.997 -7.281 1.00 0.00 C ATOM 1039 O LYS A 65 5.732 -12.080 -7.464 1.00 0.00 O ATOM 1040 CB LYS A 65 3.087 -11.156 -5.911 1.00 0.00 C ATOM 1041 CG LYS A 65 2.695 -11.824 -4.603 1.00 0.00 C ATOM 1042 CD LYS A 65 2.780 -10.855 -3.435 1.00 0.00 C ATOM 1043 CE LYS A 65 2.038 -11.383 -2.218 1.00 0.00 C ATOM 1044 NZ LYS A 65 2.361 -12.812 -1.948 1.00 0.00 N ATOM 0 H LYS A 65 3.678 -8.769 -5.671 1.00 0.00 H new ATOM 0 HA LYS A 65 5.098 -11.173 -5.152 1.00 0.00 H new ATOM 0 HB2 LYS A 65 2.422 -10.311 -6.092 1.00 0.00 H new ATOM 0 HB3 LYS A 65 2.936 -11.861 -6.729 1.00 0.00 H new ATOM 0 HG2 LYS A 65 1.680 -12.212 -4.682 1.00 0.00 H new ATOM 0 HG3 LYS A 65 3.349 -12.676 -4.418 1.00 0.00 H new ATOM 0 HD2 LYS A 65 3.825 -10.683 -3.179 1.00 0.00 H new ATOM 0 HD3 LYS A 65 2.361 -9.892 -3.728 1.00 0.00 H new ATOM 0 HE2 LYS A 65 2.296 -10.781 -1.346 1.00 0.00 H new ATOM 0 HE3 LYS A 65 0.964 -11.276 -2.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 2.079 -13.054 -0.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 1.846 -13.417 -2.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 3.384 -12.964 -2.060 1.00 0.00 H new ATOM 1058 N LYS A 66 5.091 -10.059 -8.219 1.00 0.00 N ATOM 1059 CA LYS A 66 5.662 -10.253 -9.546 1.00 0.00 C ATOM 1060 C LYS A 66 7.185 -10.263 -9.486 1.00 0.00 C ATOM 1061 O LYS A 66 7.830 -11.197 -9.961 1.00 0.00 O ATOM 1062 CB LYS A 66 5.185 -9.151 -10.495 1.00 0.00 C ATOM 1063 CG LYS A 66 3.722 -9.280 -10.889 1.00 0.00 C ATOM 1064 CD LYS A 66 3.462 -8.682 -12.262 1.00 0.00 C ATOM 1065 CE LYS A 66 3.193 -7.188 -12.177 1.00 0.00 C ATOM 1066 NZ LYS A 66 2.092 -6.769 -13.088 1.00 0.00 N ATOM 0 H LYS A 66 4.633 -9.158 -8.084 1.00 0.00 H new ATOM 0 HA LYS A 66 5.325 -11.219 -9.922 1.00 0.00 H new ATOM 0 HB2 LYS A 66 5.341 -8.182 -10.021 1.00 0.00 H new ATOM 0 HB3 LYS A 66 5.798 -9.168 -11.396 1.00 0.00 H new ATOM 0 HG2 LYS A 66 3.435 -10.332 -10.888 1.00 0.00 H new ATOM 0 HG3 LYS A 66 3.099 -8.779 -10.148 1.00 0.00 H new ATOM 0 HD2 LYS A 66 4.322 -8.862 -12.907 1.00 0.00 H new ATOM 0 HD3 LYS A 66 2.609 -9.181 -12.722 1.00 0.00 H new ATOM 0 HE2 LYS A 66 2.936 -6.923 -11.151 1.00 0.00 H new ATOM 0 HE3 LYS A 66 4.101 -6.641 -12.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 1.940 -5.744 -13.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 2.348 -6.998 -14.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 1.219 -7.272 -12.831 1.00 0.00 H new ATOM 1080 N LEU A 67 7.754 -9.217 -8.897 1.00 0.00 N ATOM 1081 CA LEU A 67 9.200 -9.102 -8.771 1.00 0.00 C ATOM 1082 C LEU A 67 9.745 -10.130 -7.784 1.00 0.00 C ATOM 1083 O LEU A 67 10.885 -10.597 -7.985 1.00 0.00 O ATOM 1084 CB LEU A 67 9.580 -7.691 -8.320 1.00 0.00 C ATOM 1085 CG LEU A 67 8.659 -7.073 -7.264 1.00 0.00 C ATOM 1086 CD1 LEU A 67 9.473 -6.366 -6.190 1.00 0.00 C ATOM 1087 CD2 LEU A 67 7.680 -6.108 -7.914 1.00 0.00 C ATOM 1088 OXT LEU A 67 9.026 -10.458 -6.817 1.00 0.00 O ATOM 0 H LEU A 67 7.233 -8.435 -8.499 1.00 0.00 H new ATOM 0 HA LEU A 67 9.643 -9.296 -9.748 1.00 0.00 H new ATOM 0 HB2 LEU A 67 10.595 -7.715 -7.924 1.00 0.00 H new ATOM 0 HB3 LEU A 67 9.593 -7.039 -9.193 1.00 0.00 H new ATOM 0 HG LEU A 67 8.092 -7.874 -6.790 1.00 0.00 H new ATOM 0 HD11 LEU A 67 8.800 -5.934 -5.449 1.00 0.00 H new ATOM 0 HD12 LEU A 67 10.135 -7.083 -5.704 1.00 0.00 H new ATOM 0 HD13 LEU A 67 10.067 -5.574 -6.646 1.00 0.00 H new ATOM 0 HD21 LEU A 67 7.032 -5.677 -7.150 1.00 0.00 H new ATOM 0 HD22 LEU A 67 8.232 -5.312 -8.414 1.00 0.00 H new ATOM 0 HD23 LEU A 67 7.073 -6.643 -8.645 1.00 0.00 H new TER 1100 LEU A 67 HETATM 1101 C6 HTS A 101 8.036 2.371 3.075 1.00 0.00 C HETATM 1102 C1 HTS A 101 6.819 1.772 2.822 1.00 0.00 C HETATM 1103 C2 HTS A 101 6.752 0.589 2.097 1.00 0.00 C HETATM 1104 C3 HTS A 101 7.922 0.012 1.628 1.00 0.00 C HETATM 1105 C4 HTS A 101 9.142 0.608 1.878 1.00 0.00 C HETATM 1106 C5 HTS A 101 9.200 1.787 2.602 1.00 0.00 C HETATM 1107 O1 HTS A 101 5.652 2.338 3.284 1.00 0.00 O HETATM 1108 S1 HTS A 101 5.147 -0.044 1.858 1.00 0.00 S HETATM 0 HO1 HTS A 101 4.885 1.890 2.870 1.00 0.00 H new HETATM 0 H6 HTS A 101 8.081 3.299 3.644 1.00 0.00 H new HETATM 0 H5 HTS A 101 10.163 2.257 2.800 1.00 0.00 H new HETATM 0 H4 HTS A 101 10.059 0.151 1.506 1.00 0.00 H new HETATM 0 H3 HTS A 101 7.879 -0.917 1.059 1.00 0.00 H new