USER MOD reduce.3.24.130724 H: found=0, std=0, add=569, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 566 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 34 THR OG1 : rot 49:sc= -5.81! USER MOD Set 1.2: A 53 SER OG : rot 45:sc= -1.99! USER MOD Set 2.1: A 31 ASN : amide:sc= -2.4 K(o=-4.1,f=-10!) USER MOD Set 2.2: A 48 ASN : amide:sc= -1.68 X(o=-4.1,f=-4.2) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 GLN : amide:sc= -0.195 X(o=-0.2,f=0) USER MOD Single : A 6 HIS : no HE2:sc= -12.9! C(o=-13!,f=-12!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= -2.31! C(o=-2.3!,f=-2.2!) USER MOD Single : A 14 MET CE :methyl 158:sc= -8.01! (180deg=-10.3!) USER MOD Single : A 15 THR OG1 : rot 97:sc= 0.141! USER MOD Single : A 17 HIS : no HE2:sc= -19.5! C(o=-19!,f=-23!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 HIS : no HD1:sc= -4.43! C(o=-4.4!,f=-2.5!) USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 CYS SG : rot 57:sc= -7.23! USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 3:sc= 0.258 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0302) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 MET CE :methyl -152:sc= -15! (180deg=-19.6!) USER MOD Single : A 66 GLN : amide:sc= -3.15! C(o=-3.2!,f=-6.1!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -2.925 7.677 5.400 1.00 0.00 N ATOM 2 CA PRO A 1 -2.835 6.939 4.102 1.00 0.00 C ATOM 3 C PRO A 1 -3.523 5.579 4.234 1.00 0.00 C ATOM 4 O PRO A 1 -4.202 5.126 3.334 1.00 0.00 O ATOM 5 CB PRO A 1 -1.358 6.742 3.764 1.00 0.00 C ATOM 6 CG PRO A 1 -0.549 7.376 4.888 1.00 0.00 C ATOM 7 CD PRO A 1 -1.542 7.919 5.914 1.00 0.00 C ATOM 0 H2 PRO A 1 -3.464 7.137 6.077 1.00 0.00 H new ATOM 0 H3 PRO A 1 -3.413 8.563 5.269 1.00 0.00 H new ATOM 0 HA PRO A 1 -3.328 7.505 3.311 1.00 0.00 H new ATOM 0 HB2 PRO A 1 -1.123 5.682 3.672 1.00 0.00 H new ATOM 0 HB3 PRO A 1 -1.117 7.206 2.808 1.00 0.00 H new ATOM 0 HG2 PRO A 1 0.113 6.641 5.346 1.00 0.00 H new ATOM 0 HG3 PRO A 1 0.082 8.177 4.503 1.00 0.00 H new ATOM 0 HD2 PRO A 1 -1.402 7.426 6.876 1.00 0.00 H new ATOM 0 HD3 PRO A 1 -1.377 8.984 6.075 1.00 0.00 H new ATOM 17 N ILE A 2 -3.356 4.926 5.351 1.00 0.00 N ATOM 18 CA ILE A 2 -4.003 3.598 5.540 1.00 0.00 C ATOM 19 C ILE A 2 -5.489 3.797 5.836 1.00 0.00 C ATOM 20 O ILE A 2 -6.342 3.201 5.211 1.00 0.00 O ATOM 21 CB ILE A 2 -3.346 2.870 6.715 1.00 0.00 C ATOM 22 CG1 ILE A 2 -1.834 3.113 6.686 1.00 0.00 C ATOM 23 CG2 ILE A 2 -3.623 1.370 6.605 1.00 0.00 C ATOM 24 CD1 ILE A 2 -1.296 2.827 5.283 1.00 0.00 C ATOM 0 H ILE A 2 -2.800 5.255 6.140 1.00 0.00 H new ATOM 0 HA ILE A 2 -3.885 3.005 4.633 1.00 0.00 H new ATOM 0 HB ILE A 2 -3.757 3.248 7.651 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -1.615 4.143 6.967 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -1.338 2.471 7.415 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -3.155 0.851 7.442 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -4.699 1.196 6.626 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -3.213 0.992 5.669 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -0.220 3.000 5.264 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -1.501 1.790 5.019 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -1.783 3.487 4.565 1.00 0.00 H new ATOM 36 N SER A 3 -5.805 4.632 6.787 1.00 0.00 N ATOM 37 CA SER A 3 -7.236 4.870 7.125 1.00 0.00 C ATOM 38 C SER A 3 -8.012 5.226 5.855 1.00 0.00 C ATOM 39 O SER A 3 -9.146 4.826 5.681 1.00 0.00 O ATOM 40 CB SER A 3 -7.334 6.018 8.126 1.00 0.00 C ATOM 41 OG SER A 3 -8.703 6.279 8.409 1.00 0.00 O ATOM 0 H SER A 3 -5.134 5.160 7.345 1.00 0.00 H new ATOM 0 HA SER A 3 -7.662 3.968 7.564 1.00 0.00 H new ATOM 0 HB2 SER A 3 -6.803 5.762 9.043 1.00 0.00 H new ATOM 0 HB3 SER A 3 -6.858 6.911 7.721 1.00 0.00 H new ATOM 0 HG SER A 3 -8.769 7.015 9.053 1.00 0.00 H new ATOM 47 N GLN A 4 -7.414 5.969 4.964 1.00 0.00 N ATOM 48 CA GLN A 4 -8.126 6.337 3.707 1.00 0.00 C ATOM 49 C GLN A 4 -8.422 5.063 2.916 1.00 0.00 C ATOM 50 O GLN A 4 -9.553 4.788 2.554 1.00 0.00 O ATOM 51 CB GLN A 4 -7.247 7.269 2.870 1.00 0.00 C ATOM 52 CG GLN A 4 -7.287 8.680 3.462 1.00 0.00 C ATOM 53 CD GLN A 4 -6.554 9.645 2.528 1.00 0.00 C ATOM 54 OE1 GLN A 4 -5.688 10.383 2.956 1.00 0.00 O ATOM 55 NE2 GLN A 4 -6.866 9.670 1.261 1.00 0.00 N ATOM 0 H GLN A 4 -6.466 6.336 5.051 1.00 0.00 H new ATOM 0 HA GLN A 4 -9.058 6.849 3.947 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -6.222 6.900 2.852 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -7.597 7.286 1.838 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -8.320 9.001 3.596 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -6.821 8.686 4.447 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -7.593 9.051 0.902 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -6.383 10.309 0.629 1.00 0.00 H new ATOM 64 N VAL A 5 -7.420 4.271 2.656 1.00 0.00 N ATOM 65 CA VAL A 5 -7.664 3.012 1.909 1.00 0.00 C ATOM 66 C VAL A 5 -8.734 2.232 2.649 1.00 0.00 C ATOM 67 O VAL A 5 -9.833 2.095 2.178 1.00 0.00 O ATOM 68 CB VAL A 5 -6.372 2.190 1.834 1.00 0.00 C ATOM 69 CG1 VAL A 5 -6.559 0.975 0.922 1.00 0.00 C ATOM 70 CG2 VAL A 5 -5.239 3.062 1.291 1.00 0.00 C ATOM 0 H VAL A 5 -6.451 4.441 2.927 1.00 0.00 H new ATOM 0 HA VAL A 5 -7.990 3.230 0.892 1.00 0.00 H new ATOM 0 HB VAL A 5 -6.123 1.843 2.837 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -5.631 0.404 0.882 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -7.356 0.344 1.315 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -6.823 1.310 -0.081 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -4.322 2.476 1.239 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -5.500 3.418 0.294 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -5.087 3.915 1.953 1.00 0.00 H new ATOM 80 N HIS A 6 -8.433 1.745 3.819 1.00 0.00 N ATOM 81 CA HIS A 6 -9.450 0.998 4.600 1.00 0.00 C ATOM 82 C HIS A 6 -10.823 1.641 4.395 1.00 0.00 C ATOM 83 O HIS A 6 -11.829 0.968 4.274 1.00 0.00 O ATOM 84 CB HIS A 6 -9.082 1.081 6.077 1.00 0.00 C ATOM 85 CG HIS A 6 -7.845 0.270 6.339 1.00 0.00 C ATOM 86 ND1 HIS A 6 -7.864 -1.114 6.370 1.00 0.00 N ATOM 87 CD2 HIS A 6 -6.545 0.635 6.587 1.00 0.00 C ATOM 88 CE1 HIS A 6 -6.612 -1.531 6.630 1.00 0.00 C ATOM 89 NE2 HIS A 6 -5.767 -0.505 6.772 1.00 0.00 N ATOM 0 H HIS A 6 -7.522 1.834 4.268 1.00 0.00 H new ATOM 0 HA HIS A 6 -9.481 -0.041 4.272 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -8.914 2.120 6.362 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -9.906 0.712 6.688 1.00 0.00 H new ATOM 0 HD1 HIS A 6 -8.679 -1.709 6.223 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -6.181 1.651 6.632 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -6.324 -2.569 6.714 1.00 0.00 H new ATOM 97 N GLU A 7 -10.859 2.947 4.341 1.00 0.00 N ATOM 98 CA GLU A 7 -12.153 3.653 4.149 1.00 0.00 C ATOM 99 C GLU A 7 -12.794 3.228 2.830 1.00 0.00 C ATOM 100 O GLU A 7 -13.871 2.681 2.815 1.00 0.00 O ATOM 101 CB GLU A 7 -11.916 5.164 4.144 1.00 0.00 C ATOM 102 CG GLU A 7 -12.452 5.764 5.444 1.00 0.00 C ATOM 103 CD GLU A 7 -12.485 7.289 5.330 1.00 0.00 C ATOM 104 OE1 GLU A 7 -11.802 7.813 4.466 1.00 0.00 O ATOM 105 OE2 GLU A 7 -13.193 7.906 6.109 1.00 0.00 O ATOM 0 H GLU A 7 -10.043 3.554 4.422 1.00 0.00 H new ATOM 0 HA GLU A 7 -12.824 3.393 4.967 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -10.852 5.376 4.044 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -12.414 5.619 3.288 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -13.453 5.383 5.647 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -11.821 5.465 6.281 1.00 0.00 H new ATOM 112 N ILE A 8 -12.154 3.488 1.723 1.00 0.00 N ATOM 113 CA ILE A 8 -12.751 3.105 0.409 1.00 0.00 C ATOM 114 C ILE A 8 -12.655 1.590 0.191 1.00 0.00 C ATOM 115 O ILE A 8 -13.628 0.933 -0.137 1.00 0.00 O ATOM 116 CB ILE A 8 -11.996 3.819 -0.719 1.00 0.00 C ATOM 117 CG1 ILE A 8 -10.488 3.556 -0.601 1.00 0.00 C ATOM 118 CG2 ILE A 8 -12.253 5.324 -0.631 1.00 0.00 C ATOM 119 CD1 ILE A 8 -10.093 2.351 -1.468 1.00 0.00 C ATOM 0 H ILE A 8 -11.245 3.948 1.670 1.00 0.00 H new ATOM 0 HA ILE A 8 -13.801 3.397 0.406 1.00 0.00 H new ATOM 0 HB ILE A 8 -12.350 3.437 -1.676 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -9.931 4.439 -0.916 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -10.224 3.367 0.440 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -11.717 5.832 -1.432 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -13.321 5.517 -0.730 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -11.905 5.697 0.332 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -9.021 2.173 -1.377 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -10.637 1.468 -1.133 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -10.340 2.556 -2.510 1.00 0.00 H new ATOM 131 N GLY A 9 -11.488 1.039 0.348 1.00 0.00 N ATOM 132 CA GLY A 9 -11.303 -0.409 0.130 1.00 0.00 C ATOM 133 C GLY A 9 -12.450 -1.167 0.788 1.00 0.00 C ATOM 134 O GLY A 9 -13.096 -1.983 0.171 1.00 0.00 O ATOM 0 H GLY A 9 -10.645 1.543 0.622 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -11.273 -0.627 -0.938 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -10.350 -0.733 0.549 1.00 0.00 H new ATOM 138 N ILE A 10 -12.705 -0.915 2.042 1.00 0.00 N ATOM 139 CA ILE A 10 -13.811 -1.639 2.722 1.00 0.00 C ATOM 140 C ILE A 10 -15.161 -1.034 2.325 1.00 0.00 C ATOM 141 O ILE A 10 -16.149 -1.727 2.183 1.00 0.00 O ATOM 142 CB ILE A 10 -13.601 -1.535 4.241 1.00 0.00 C ATOM 143 CG1 ILE A 10 -13.101 -2.880 4.730 1.00 0.00 C ATOM 144 CG2 ILE A 10 -14.905 -1.177 4.972 1.00 0.00 C ATOM 145 CD1 ILE A 10 -14.130 -3.946 4.358 1.00 0.00 C ATOM 0 H ILE A 10 -12.199 -0.244 2.620 1.00 0.00 H new ATOM 0 HA ILE A 10 -13.810 -2.687 2.422 1.00 0.00 H new ATOM 0 HB ILE A 10 -12.882 -0.743 4.450 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -12.136 -3.112 4.279 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -12.952 -2.859 5.809 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -14.716 -1.113 6.043 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -15.273 -0.217 4.610 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -15.652 -1.947 4.781 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -13.785 -4.921 4.703 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -15.084 -3.711 4.830 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -14.256 -3.968 3.276 1.00 0.00 H new ATOM 157 N LYS A 11 -15.212 0.253 2.186 1.00 0.00 N ATOM 158 CA LYS A 11 -16.497 0.917 1.847 1.00 0.00 C ATOM 159 C LYS A 11 -17.036 0.423 0.508 1.00 0.00 C ATOM 160 O LYS A 11 -18.196 0.608 0.197 1.00 0.00 O ATOM 161 CB LYS A 11 -16.283 2.427 1.778 1.00 0.00 C ATOM 162 CG LYS A 11 -16.379 3.025 3.183 1.00 0.00 C ATOM 163 CD LYS A 11 -17.843 3.060 3.623 1.00 0.00 C ATOM 164 CE LYS A 11 -17.935 2.724 5.112 1.00 0.00 C ATOM 165 NZ LYS A 11 -18.091 1.251 5.279 1.00 0.00 N ATOM 0 H LYS A 11 -14.415 0.881 2.293 1.00 0.00 H new ATOM 0 HA LYS A 11 -17.224 0.673 2.622 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -15.307 2.646 1.345 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -17.030 2.881 1.127 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -15.792 2.431 3.883 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -15.962 4.032 3.191 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -18.267 4.046 3.435 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -18.426 2.346 3.041 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -17.039 3.067 5.629 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -18.781 3.244 5.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -18.154 1.021 6.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -18.958 0.937 4.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -17.270 0.766 4.864 1.00 0.00 H new ATOM 179 N ARG A 12 -16.224 -0.197 -0.293 1.00 0.00 N ATOM 180 CA ARG A 12 -16.735 -0.681 -1.604 1.00 0.00 C ATOM 181 C ARG A 12 -16.658 -2.204 -1.652 1.00 0.00 C ATOM 182 O ARG A 12 -17.583 -2.866 -2.080 1.00 0.00 O ATOM 183 CB ARG A 12 -15.895 -0.087 -2.737 1.00 0.00 C ATOM 184 CG ARG A 12 -16.568 -0.377 -4.083 1.00 0.00 C ATOM 185 CD ARG A 12 -18.057 -0.035 -3.997 1.00 0.00 C ATOM 186 NE ARG A 12 -18.648 -0.023 -5.365 1.00 0.00 N ATOM 187 CZ ARG A 12 -19.944 -0.062 -5.515 1.00 0.00 C ATOM 188 NH1 ARG A 12 -20.727 0.119 -4.487 1.00 0.00 N ATOM 189 NH2 ARG A 12 -20.458 -0.285 -6.694 1.00 0.00 N ATOM 0 H ARG A 12 -15.240 -0.389 -0.103 1.00 0.00 H new ATOM 0 HA ARG A 12 -17.772 -0.368 -1.724 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -15.787 0.989 -2.597 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -14.892 -0.513 -2.721 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -16.095 0.209 -4.871 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -16.440 -1.427 -4.346 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -18.573 -0.766 -3.374 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -18.190 0.938 -3.524 1.00 0.00 H new ATOM 0 HE ARG A 12 -18.040 0.016 -6.183 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -20.326 0.291 -3.565 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -21.740 0.088 -4.606 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -19.847 -0.429 -7.498 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -21.471 -0.316 -6.811 1.00 0.00 H new ATOM 203 N ASN A 13 -15.561 -2.754 -1.207 1.00 0.00 N ATOM 204 CA ASN A 13 -15.393 -4.239 -1.211 1.00 0.00 C ATOM 205 C ASN A 13 -13.903 -4.596 -1.239 1.00 0.00 C ATOM 206 O ASN A 13 -13.526 -5.722 -0.978 1.00 0.00 O ATOM 207 CB ASN A 13 -16.062 -4.834 -2.450 1.00 0.00 C ATOM 208 CG ASN A 13 -17.388 -5.485 -2.052 1.00 0.00 C ATOM 209 OD1 ASN A 13 -18.443 -5.048 -2.467 1.00 0.00 O ATOM 210 ND2 ASN A 13 -17.378 -6.520 -1.257 1.00 0.00 N ATOM 0 H ASN A 13 -14.765 -2.234 -0.837 1.00 0.00 H new ATOM 0 HA ASN A 13 -15.854 -4.644 -0.310 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -16.236 -4.055 -3.192 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -15.406 -5.573 -2.911 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -18.256 -6.962 -0.984 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -16.492 -6.887 -0.909 1.00 0.00 H new ATOM 217 N MET A 14 -13.048 -3.661 -1.562 1.00 0.00 N ATOM 218 CA MET A 14 -11.595 -3.973 -1.613 1.00 0.00 C ATOM 219 C MET A 14 -11.048 -4.160 -0.195 1.00 0.00 C ATOM 220 O MET A 14 -10.963 -3.227 0.576 1.00 0.00 O ATOM 221 CB MET A 14 -10.872 -2.815 -2.292 1.00 0.00 C ATOM 222 CG MET A 14 -10.780 -3.076 -3.795 1.00 0.00 C ATOM 223 SD MET A 14 -11.370 -1.620 -4.697 1.00 0.00 S ATOM 224 CE MET A 14 -10.618 -0.368 -3.627 1.00 0.00 C ATOM 0 H MET A 14 -13.295 -2.698 -1.792 1.00 0.00 H new ATOM 0 HA MET A 14 -11.436 -4.895 -2.173 1.00 0.00 H new ATOM 0 HB2 MET A 14 -11.405 -1.882 -2.107 1.00 0.00 H new ATOM 0 HB3 MET A 14 -9.873 -2.700 -1.871 1.00 0.00 H new ATOM 0 HG2 MET A 14 -9.750 -3.297 -4.074 1.00 0.00 H new ATOM 0 HG3 MET A 14 -11.377 -3.948 -4.061 1.00 0.00 H new ATOM 0 HE1 MET A 14 -10.512 0.566 -4.179 1.00 0.00 H new ATOM 0 HE2 MET A 14 -11.253 -0.205 -2.756 1.00 0.00 H new ATOM 0 HE3 MET A 14 -9.636 -0.710 -3.301 1.00 0.00 H new ATOM 234 N THR A 15 -10.668 -5.358 0.154 1.00 0.00 N ATOM 235 CA THR A 15 -10.122 -5.592 1.521 1.00 0.00 C ATOM 236 C THR A 15 -8.811 -4.823 1.672 1.00 0.00 C ATOM 237 O THR A 15 -7.885 -5.021 0.918 1.00 0.00 O ATOM 238 CB THR A 15 -9.868 -7.089 1.733 1.00 0.00 C ATOM 239 OG1 THR A 15 -10.160 -7.797 0.537 1.00 0.00 O ATOM 240 CG2 THR A 15 -10.770 -7.596 2.859 1.00 0.00 C ATOM 0 H THR A 15 -10.711 -6.182 -0.445 1.00 0.00 H new ATOM 0 HA THR A 15 -10.841 -5.247 2.264 1.00 0.00 H new ATOM 0 HB THR A 15 -8.823 -7.248 1.998 1.00 0.00 H new ATOM 0 HG1 THR A 15 -9.331 -7.951 0.037 1.00 0.00 H new ATOM 0 HG21 THR A 15 -10.594 -8.660 3.015 1.00 0.00 H new ATOM 0 HG22 THR A 15 -10.546 -7.053 3.777 1.00 0.00 H new ATOM 0 HG23 THR A 15 -11.814 -7.436 2.589 1.00 0.00 H new ATOM 248 N VAL A 16 -8.728 -3.944 2.634 1.00 0.00 N ATOM 249 CA VAL A 16 -7.473 -3.157 2.823 1.00 0.00 C ATOM 250 C VAL A 16 -6.621 -3.787 3.921 1.00 0.00 C ATOM 251 O VAL A 16 -6.962 -3.731 5.085 1.00 0.00 O ATOM 252 CB VAL A 16 -7.822 -1.727 3.243 1.00 0.00 C ATOM 253 CG1 VAL A 16 -6.535 -0.910 3.408 1.00 0.00 C ATOM 254 CG2 VAL A 16 -8.706 -1.082 2.175 1.00 0.00 C ATOM 0 H VAL A 16 -9.474 -3.736 3.298 1.00 0.00 H new ATOM 0 HA VAL A 16 -6.921 -3.151 1.883 1.00 0.00 H new ATOM 0 HB VAL A 16 -8.358 -1.749 4.192 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -6.786 0.108 3.707 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -5.908 -1.369 4.173 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -5.995 -0.887 2.462 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -8.954 -0.064 2.475 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -8.172 -1.061 1.225 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -9.623 -1.661 2.063 1.00 0.00 H new ATOM 264 N HIS A 17 -5.504 -4.362 3.575 1.00 0.00 N ATOM 265 CA HIS A 17 -4.637 -4.958 4.641 1.00 0.00 C ATOM 266 C HIS A 17 -3.175 -4.594 4.376 1.00 0.00 C ATOM 267 O HIS A 17 -2.487 -5.234 3.607 1.00 0.00 O ATOM 268 CB HIS A 17 -4.801 -6.480 4.684 1.00 0.00 C ATOM 269 CG HIS A 17 -6.267 -6.828 4.652 1.00 0.00 C ATOM 270 ND1 HIS A 17 -6.872 -7.554 5.667 1.00 0.00 N ATOM 271 CD2 HIS A 17 -7.265 -6.549 3.747 1.00 0.00 C ATOM 272 CE1 HIS A 17 -8.174 -7.684 5.353 1.00 0.00 C ATOM 273 NE2 HIS A 17 -8.467 -7.090 4.194 1.00 0.00 N ATOM 0 H HIS A 17 -5.154 -4.447 2.621 1.00 0.00 H new ATOM 0 HA HIS A 17 -4.941 -4.555 5.607 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -4.289 -6.936 3.836 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -4.341 -6.881 5.587 1.00 0.00 H new ATOM 0 HD1 HIS A 17 -6.413 -7.922 6.500 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -7.135 -5.995 2.829 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -8.895 -8.206 5.965 1.00 0.00 H new ATOM 281 N PHE A 18 -2.706 -3.550 5.003 1.00 0.00 N ATOM 282 CA PHE A 18 -1.301 -3.102 4.793 1.00 0.00 C ATOM 283 C PHE A 18 -0.323 -3.970 5.591 1.00 0.00 C ATOM 284 O PHE A 18 -0.532 -4.260 6.752 1.00 0.00 O ATOM 285 CB PHE A 18 -1.181 -1.653 5.263 1.00 0.00 C ATOM 286 CG PHE A 18 -1.794 -0.751 4.226 1.00 0.00 C ATOM 287 CD1 PHE A 18 -3.167 -0.467 4.254 1.00 0.00 C ATOM 288 CD2 PHE A 18 -0.989 -0.205 3.229 1.00 0.00 C ATOM 289 CE1 PHE A 18 -3.726 0.362 3.276 1.00 0.00 C ATOM 290 CE2 PHE A 18 -1.549 0.622 2.256 1.00 0.00 C ATOM 291 CZ PHE A 18 -2.917 0.906 2.277 1.00 0.00 C ATOM 0 H PHE A 18 -3.243 -2.983 5.659 1.00 0.00 H new ATOM 0 HA PHE A 18 -1.054 -3.190 3.735 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -1.686 -1.524 6.220 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -0.134 -1.392 5.418 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -3.791 -0.887 5.029 1.00 0.00 H new ATOM 0 HD2 PHE A 18 0.069 -0.422 3.210 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -4.783 0.581 3.294 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -0.923 1.044 1.484 1.00 0.00 H new ATOM 0 HZ PHE A 18 -3.348 1.546 1.521 1.00 0.00 H new ATOM 301 N LYS A 19 0.755 -4.371 4.968 1.00 0.00 N ATOM 302 CA LYS A 19 1.771 -5.201 5.667 1.00 0.00 C ATOM 303 C LYS A 19 3.143 -4.908 5.053 1.00 0.00 C ATOM 304 O LYS A 19 3.411 -5.262 3.922 1.00 0.00 O ATOM 305 CB LYS A 19 1.437 -6.684 5.488 1.00 0.00 C ATOM 306 CG LYS A 19 -0.074 -6.889 5.611 1.00 0.00 C ATOM 307 CD LYS A 19 -0.411 -8.359 5.353 1.00 0.00 C ATOM 308 CE LYS A 19 -0.591 -8.584 3.851 1.00 0.00 C ATOM 309 NZ LYS A 19 -0.002 -9.899 3.472 1.00 0.00 N ATOM 0 H LYS A 19 0.973 -4.155 3.995 1.00 0.00 H new ATOM 0 HA LYS A 19 1.777 -4.965 6.731 1.00 0.00 H new ATOM 0 HB2 LYS A 19 1.783 -7.030 4.514 1.00 0.00 H new ATOM 0 HB3 LYS A 19 1.957 -7.277 6.240 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -0.412 -6.596 6.605 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -0.597 -6.254 4.896 1.00 0.00 H new ATOM 0 HD2 LYS A 19 0.385 -8.998 5.735 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -1.322 -8.633 5.885 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -1.650 -8.560 3.593 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -0.108 -7.782 3.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -0.124 -10.053 2.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 1.012 -9.905 3.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -0.482 -10.658 3.996 1.00 0.00 H new ATOM 323 N VAL A 20 4.014 -4.263 5.779 1.00 0.00 N ATOM 324 CA VAL A 20 5.359 -3.953 5.216 1.00 0.00 C ATOM 325 C VAL A 20 6.224 -5.209 5.287 1.00 0.00 C ATOM 326 O VAL A 20 6.480 -5.743 6.348 1.00 0.00 O ATOM 327 CB VAL A 20 6.004 -2.822 6.021 1.00 0.00 C ATOM 328 CG1 VAL A 20 7.417 -2.557 5.495 1.00 0.00 C ATOM 329 CG2 VAL A 20 5.159 -1.552 5.871 1.00 0.00 C ATOM 0 H VAL A 20 3.854 -3.939 6.733 1.00 0.00 H new ATOM 0 HA VAL A 20 5.265 -3.634 4.178 1.00 0.00 H new ATOM 0 HB VAL A 20 6.058 -3.107 7.072 1.00 0.00 H new ATOM 0 HG11 VAL A 20 7.874 -1.751 6.070 1.00 0.00 H new ATOM 0 HG12 VAL A 20 8.018 -3.461 5.595 1.00 0.00 H new ATOM 0 HG13 VAL A 20 7.366 -2.270 4.445 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.614 -0.743 6.442 1.00 0.00 H new ATOM 0 HG22 VAL A 20 5.109 -1.270 4.819 1.00 0.00 H new ATOM 0 HG23 VAL A 20 4.152 -1.739 6.245 1.00 0.00 H new ATOM 339 N LEU A 21 6.656 -5.699 4.158 1.00 0.00 N ATOM 340 CA LEU A 21 7.481 -6.937 4.153 1.00 0.00 C ATOM 341 C LEU A 21 8.865 -6.661 3.562 1.00 0.00 C ATOM 342 O LEU A 21 9.622 -7.572 3.294 1.00 0.00 O ATOM 343 CB LEU A 21 6.779 -8.006 3.317 1.00 0.00 C ATOM 344 CG LEU A 21 6.044 -7.356 2.154 1.00 0.00 C ATOM 345 CD1 LEU A 21 6.058 -8.294 0.946 1.00 0.00 C ATOM 346 CD2 LEU A 21 4.608 -7.103 2.590 1.00 0.00 C ATOM 0 H LEU A 21 6.473 -5.295 3.240 1.00 0.00 H new ATOM 0 HA LEU A 21 7.602 -7.282 5.180 1.00 0.00 H new ATOM 0 HB2 LEU A 21 7.509 -8.723 2.942 1.00 0.00 H new ATOM 0 HB3 LEU A 21 6.076 -8.562 3.938 1.00 0.00 H new ATOM 0 HG LEU A 21 6.527 -6.420 1.875 1.00 0.00 H new ATOM 0 HD11 LEU A 21 5.531 -7.825 0.115 1.00 0.00 H new ATOM 0 HD12 LEU A 21 7.089 -8.496 0.654 1.00 0.00 H new ATOM 0 HD13 LEU A 21 5.565 -9.230 1.207 1.00 0.00 H new ATOM 0 HD21 LEU A 21 4.057 -6.636 1.774 1.00 0.00 H new ATOM 0 HD22 LEU A 21 4.135 -8.049 2.853 1.00 0.00 H new ATOM 0 HD23 LEU A 21 4.602 -6.442 3.456 1.00 0.00 H new ATOM 358 N ARG A 22 9.208 -5.421 3.350 1.00 0.00 N ATOM 359 CA ARG A 22 10.550 -5.125 2.770 1.00 0.00 C ATOM 360 C ARG A 22 11.170 -3.910 3.462 1.00 0.00 C ATOM 361 O ARG A 22 10.510 -3.183 4.177 1.00 0.00 O ATOM 362 CB ARG A 22 10.409 -4.838 1.277 1.00 0.00 C ATOM 363 CG ARG A 22 10.915 -6.039 0.474 1.00 0.00 C ATOM 364 CD ARG A 22 9.827 -6.495 -0.500 1.00 0.00 C ATOM 365 NE ARG A 22 9.798 -7.985 -0.559 1.00 0.00 N ATOM 366 CZ ARG A 22 10.910 -8.667 -0.507 1.00 0.00 C ATOM 367 NH1 ARG A 22 11.957 -8.260 -1.171 1.00 0.00 N ATOM 368 NH2 ARG A 22 10.975 -9.756 0.209 1.00 0.00 N ATOM 0 H ARG A 22 8.626 -4.608 3.550 1.00 0.00 H new ATOM 0 HA ARG A 22 11.197 -5.989 2.921 1.00 0.00 H new ATOM 0 HB2 ARG A 22 9.366 -4.637 1.032 1.00 0.00 H new ATOM 0 HB3 ARG A 22 10.976 -3.946 1.013 1.00 0.00 H new ATOM 0 HG2 ARG A 22 11.818 -5.770 -0.073 1.00 0.00 H new ATOM 0 HG3 ARG A 22 11.181 -6.854 1.147 1.00 0.00 H new ATOM 0 HD2 ARG A 22 8.857 -6.115 -0.180 1.00 0.00 H new ATOM 0 HD3 ARG A 22 10.019 -6.086 -1.492 1.00 0.00 H new ATOM 0 HE ARG A 22 8.906 -8.473 -0.640 1.00 0.00 H new ATOM 0 HH11 ARG A 22 11.907 -7.409 -1.731 1.00 0.00 H new ATOM 0 HH12 ARG A 22 12.826 -8.793 -1.130 1.00 0.00 H new ATOM 0 HH21 ARG A 22 10.157 -10.075 0.728 1.00 0.00 H new ATOM 0 HH22 ARG A 22 11.844 -10.289 0.249 1.00 0.00 H new ATOM 382 N GLU A 23 12.440 -3.689 3.251 1.00 0.00 N ATOM 383 CA GLU A 23 13.119 -2.526 3.890 1.00 0.00 C ATOM 384 C GLU A 23 14.363 -2.154 3.079 1.00 0.00 C ATOM 385 O GLU A 23 15.412 -1.882 3.630 1.00 0.00 O ATOM 386 CB GLU A 23 13.546 -2.899 5.312 1.00 0.00 C ATOM 387 CG GLU A 23 12.534 -3.874 5.916 1.00 0.00 C ATOM 388 CD GLU A 23 13.037 -4.351 7.280 1.00 0.00 C ATOM 389 OE1 GLU A 23 14.203 -4.133 7.569 1.00 0.00 O ATOM 390 OE2 GLU A 23 12.250 -4.928 8.012 1.00 0.00 O ATOM 0 H GLU A 23 13.038 -4.267 2.661 1.00 0.00 H new ATOM 0 HA GLU A 23 12.431 -1.681 3.922 1.00 0.00 H new ATOM 0 HB2 GLU A 23 14.537 -3.352 5.297 1.00 0.00 H new ATOM 0 HB3 GLU A 23 13.614 -2.003 5.928 1.00 0.00 H new ATOM 0 HG2 GLU A 23 11.564 -3.388 6.024 1.00 0.00 H new ATOM 0 HG3 GLU A 23 12.392 -4.726 5.251 1.00 0.00 H new ATOM 397 N GLU A 24 14.266 -2.147 1.777 1.00 0.00 N ATOM 398 CA GLU A 24 15.454 -1.800 0.952 1.00 0.00 C ATOM 399 C GLU A 24 15.072 -1.770 -0.532 1.00 0.00 C ATOM 400 O GLU A 24 13.912 -1.819 -0.889 1.00 0.00 O ATOM 401 CB GLU A 24 16.540 -2.852 1.189 1.00 0.00 C ATOM 402 CG GLU A 24 16.242 -4.111 0.368 1.00 0.00 C ATOM 403 CD GLU A 24 16.859 -5.328 1.059 1.00 0.00 C ATOM 404 OE1 GLU A 24 17.496 -5.144 2.083 1.00 0.00 O ATOM 405 OE2 GLU A 24 16.684 -6.424 0.552 1.00 0.00 O ATOM 0 H GLU A 24 13.419 -2.366 1.253 1.00 0.00 H new ATOM 0 HA GLU A 24 15.824 -0.815 1.235 1.00 0.00 H new ATOM 0 HB2 GLU A 24 17.514 -2.449 0.911 1.00 0.00 H new ATOM 0 HB3 GLU A 24 16.589 -3.103 2.249 1.00 0.00 H new ATOM 0 HG2 GLU A 24 15.165 -4.245 0.265 1.00 0.00 H new ATOM 0 HG3 GLU A 24 16.648 -4.006 -0.638 1.00 0.00 H new ATOM 412 N GLY A 25 16.047 -1.696 -1.397 1.00 0.00 N ATOM 413 CA GLY A 25 15.754 -1.667 -2.858 1.00 0.00 C ATOM 414 C GLY A 25 16.762 -2.555 -3.593 1.00 0.00 C ATOM 415 O GLY A 25 17.229 -3.538 -3.052 1.00 0.00 O ATOM 0 H GLY A 25 17.037 -1.654 -1.154 1.00 0.00 H new ATOM 0 HA2 GLY A 25 14.739 -2.018 -3.044 1.00 0.00 H new ATOM 0 HA3 GLY A 25 15.812 -0.645 -3.232 1.00 0.00 H new ATOM 419 N PRO A 26 17.071 -2.180 -4.809 1.00 0.00 N ATOM 420 CA PRO A 26 18.028 -2.929 -5.642 1.00 0.00 C ATOM 421 C PRO A 26 19.400 -2.963 -4.966 1.00 0.00 C ATOM 422 O PRO A 26 19.912 -4.011 -4.624 1.00 0.00 O ATOM 423 CB PRO A 26 18.092 -2.149 -6.963 1.00 0.00 C ATOM 424 CG PRO A 26 17.128 -0.940 -6.845 1.00 0.00 C ATOM 425 CD PRO A 26 16.492 -0.985 -5.447 1.00 0.00 C ATOM 0 HA PRO A 26 17.727 -3.965 -5.795 1.00 0.00 H new ATOM 0 HB2 PRO A 26 19.109 -1.809 -7.157 1.00 0.00 H new ATOM 0 HB3 PRO A 26 17.804 -2.787 -7.798 1.00 0.00 H new ATOM 0 HG2 PRO A 26 17.668 -0.004 -6.990 1.00 0.00 H new ATOM 0 HG3 PRO A 26 16.360 -0.987 -7.617 1.00 0.00 H new ATOM 0 HD2 PRO A 26 16.721 -0.083 -4.879 1.00 0.00 H new ATOM 0 HD3 PRO A 26 15.406 -1.056 -5.508 1.00 0.00 H new ATOM 433 N ALA A 27 19.996 -1.822 -4.770 1.00 0.00 N ATOM 434 CA ALA A 27 21.334 -1.777 -4.115 1.00 0.00 C ATOM 435 C ALA A 27 21.739 -0.319 -3.892 1.00 0.00 C ATOM 436 O ALA A 27 22.880 0.055 -4.079 1.00 0.00 O ATOM 437 CB ALA A 27 22.365 -2.462 -5.012 1.00 0.00 C ATOM 0 H ALA A 27 19.614 -0.914 -5.036 1.00 0.00 H new ATOM 0 HA ALA A 27 21.289 -2.294 -3.156 1.00 0.00 H new ATOM 0 HB1 ALA A 27 23.343 -2.429 -4.533 1.00 0.00 H new ATOM 0 HB2 ALA A 27 22.075 -3.500 -5.173 1.00 0.00 H new ATOM 0 HB3 ALA A 27 22.413 -1.946 -5.971 1.00 0.00 H new ATOM 443 N HIS A 28 20.811 0.509 -3.496 1.00 0.00 N ATOM 444 CA HIS A 28 21.139 1.943 -3.263 1.00 0.00 C ATOM 445 C HIS A 28 19.844 2.754 -3.192 1.00 0.00 C ATOM 446 O HIS A 28 19.506 3.482 -4.103 1.00 0.00 O ATOM 447 CB HIS A 28 22.002 2.463 -4.415 1.00 0.00 C ATOM 448 CG HIS A 28 21.500 1.894 -5.714 1.00 0.00 C ATOM 449 ND1 HIS A 28 22.238 1.962 -6.885 1.00 0.00 N ATOM 450 CD2 HIS A 28 20.336 1.243 -6.041 1.00 0.00 C ATOM 451 CE1 HIS A 28 21.517 1.367 -7.854 1.00 0.00 C ATOM 452 NE2 HIS A 28 20.350 0.911 -7.393 1.00 0.00 N ATOM 0 H HIS A 28 19.839 0.253 -3.324 1.00 0.00 H new ATOM 0 HA HIS A 28 21.686 2.044 -2.325 1.00 0.00 H new ATOM 0 HB2 HIS A 28 21.969 3.552 -4.446 1.00 0.00 H new ATOM 0 HB3 HIS A 28 23.043 2.180 -4.260 1.00 0.00 H new ATOM 0 HD2 HIS A 28 19.532 1.022 -5.354 1.00 0.00 H new ATOM 0 HE1 HIS A 28 21.843 1.270 -8.879 1.00 0.00 H new ATOM 0 HE2 HIS A 28 19.624 0.424 -7.919 1.00 0.00 H new ATOM 460 N MET A 29 19.115 2.632 -2.115 1.00 0.00 N ATOM 461 CA MET A 29 17.841 3.394 -1.986 1.00 0.00 C ATOM 462 C MET A 29 16.992 2.781 -0.870 1.00 0.00 C ATOM 463 O MET A 29 16.429 1.716 -1.022 1.00 0.00 O ATOM 464 CB MET A 29 17.069 3.329 -3.306 1.00 0.00 C ATOM 465 CG MET A 29 17.107 4.698 -3.991 1.00 0.00 C ATOM 466 SD MET A 29 16.494 4.541 -5.687 1.00 0.00 S ATOM 467 CE MET A 29 16.961 6.196 -6.252 1.00 0.00 C ATOM 0 H MET A 29 19.347 2.037 -1.319 1.00 0.00 H new ATOM 0 HA MET A 29 18.063 4.434 -1.747 1.00 0.00 H new ATOM 0 HB2 MET A 29 17.506 2.573 -3.958 1.00 0.00 H new ATOM 0 HB3 MET A 29 16.037 3.032 -3.121 1.00 0.00 H new ATOM 0 HG2 MET A 29 16.497 5.411 -3.437 1.00 0.00 H new ATOM 0 HG3 MET A 29 18.126 5.086 -3.995 1.00 0.00 H new ATOM 0 HE1 MET A 29 16.671 6.320 -7.295 1.00 0.00 H new ATOM 0 HE2 MET A 29 16.454 6.945 -5.643 1.00 0.00 H new ATOM 0 HE3 MET A 29 18.040 6.322 -6.158 1.00 0.00 H new ATOM 477 N LYS A 30 16.898 3.446 0.249 1.00 0.00 N ATOM 478 CA LYS A 30 16.089 2.910 1.376 1.00 0.00 C ATOM 479 C LYS A 30 14.604 2.937 1.001 1.00 0.00 C ATOM 480 O LYS A 30 13.885 3.859 1.335 1.00 0.00 O ATOM 481 CB LYS A 30 16.321 3.781 2.609 1.00 0.00 C ATOM 482 CG LYS A 30 17.823 3.932 2.854 1.00 0.00 C ATOM 483 CD LYS A 30 18.251 5.367 2.536 1.00 0.00 C ATOM 484 CE LYS A 30 19.666 5.361 1.954 1.00 0.00 C ATOM 485 NZ LYS A 30 20.569 6.158 2.833 1.00 0.00 N ATOM 0 H LYS A 30 17.350 4.342 0.430 1.00 0.00 H new ATOM 0 HA LYS A 30 16.385 1.883 1.588 1.00 0.00 H new ATOM 0 HB2 LYS A 30 15.865 4.761 2.466 1.00 0.00 H new ATOM 0 HB3 LYS A 30 15.843 3.331 3.480 1.00 0.00 H new ATOM 0 HG2 LYS A 30 18.059 3.692 3.891 1.00 0.00 H new ATOM 0 HG3 LYS A 30 18.376 3.230 2.231 1.00 0.00 H new ATOM 0 HD2 LYS A 30 17.556 5.816 1.826 1.00 0.00 H new ATOM 0 HD3 LYS A 30 18.221 5.975 3.440 1.00 0.00 H new ATOM 0 HE2 LYS A 30 20.032 4.338 1.871 1.00 0.00 H new ATOM 0 HE3 LYS A 30 19.658 5.779 0.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 21.531 6.154 2.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 20.222 7.137 2.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 20.585 5.740 3.785 1.00 0.00 H new ATOM 499 N ASN A 31 14.136 1.931 0.314 1.00 0.00 N ATOM 500 CA ASN A 31 12.700 1.904 -0.076 1.00 0.00 C ATOM 501 C ASN A 31 12.036 0.667 0.520 1.00 0.00 C ATOM 502 O ASN A 31 12.504 -0.442 0.356 1.00 0.00 O ATOM 503 CB ASN A 31 12.578 1.852 -1.598 1.00 0.00 C ATOM 504 CG ASN A 31 13.416 2.972 -2.219 1.00 0.00 C ATOM 505 OD1 ASN A 31 14.006 3.767 -1.515 1.00 0.00 O ATOM 506 ND2 ASN A 31 13.495 3.068 -3.519 1.00 0.00 N ATOM 0 H ASN A 31 14.686 1.129 0.007 1.00 0.00 H new ATOM 0 HA ASN A 31 12.211 2.804 0.298 1.00 0.00 H new ATOM 0 HB2 ASN A 31 12.916 0.884 -1.967 1.00 0.00 H new ATOM 0 HB3 ASN A 31 11.534 1.959 -1.893 1.00 0.00 H new ATOM 0 HD21 ASN A 31 14.052 3.810 -3.943 1.00 0.00 H new ATOM 0 HD22 ASN A 31 13.000 2.401 -4.111 1.00 0.00 H new ATOM 513 N PHE A 32 10.944 0.845 1.203 1.00 0.00 N ATOM 514 CA PHE A 32 10.247 -0.322 1.800 1.00 0.00 C ATOM 515 C PHE A 32 9.073 -0.712 0.905 1.00 0.00 C ATOM 516 O PHE A 32 8.229 0.107 0.589 1.00 0.00 O ATOM 517 CB PHE A 32 9.711 0.055 3.183 1.00 0.00 C ATOM 518 CG PHE A 32 10.844 0.132 4.176 1.00 0.00 C ATOM 519 CD1 PHE A 32 11.954 0.945 3.919 1.00 0.00 C ATOM 520 CD2 PHE A 32 10.778 -0.609 5.361 1.00 0.00 C ATOM 521 CE1 PHE A 32 12.999 1.016 4.849 1.00 0.00 C ATOM 522 CE2 PHE A 32 11.820 -0.540 6.290 1.00 0.00 C ATOM 523 CZ PHE A 32 12.932 0.273 6.034 1.00 0.00 C ATOM 0 H PHE A 32 10.504 1.749 1.374 1.00 0.00 H new ATOM 0 HA PHE A 32 10.944 -1.155 1.891 1.00 0.00 H new ATOM 0 HB2 PHE A 32 9.196 1.014 3.133 1.00 0.00 H new ATOM 0 HB3 PHE A 32 8.979 -0.683 3.511 1.00 0.00 H new ATOM 0 HD1 PHE A 32 12.005 1.517 3.004 1.00 0.00 H new ATOM 0 HD2 PHE A 32 9.921 -1.235 5.558 1.00 0.00 H new ATOM 0 HE1 PHE A 32 13.856 1.643 4.652 1.00 0.00 H new ATOM 0 HE2 PHE A 32 11.768 -1.113 7.204 1.00 0.00 H new ATOM 0 HZ PHE A 32 13.738 0.327 6.751 1.00 0.00 H new ATOM 533 N ILE A 33 8.988 -1.954 0.510 1.00 0.00 N ATOM 534 CA ILE A 33 7.842 -2.366 -0.339 1.00 0.00 C ATOM 535 C ILE A 33 6.719 -2.789 0.587 1.00 0.00 C ATOM 536 O ILE A 33 6.682 -3.897 1.085 1.00 0.00 O ATOM 537 CB ILE A 33 8.222 -3.531 -1.252 1.00 0.00 C ATOM 538 CG1 ILE A 33 9.298 -3.082 -2.247 1.00 0.00 C ATOM 539 CG2 ILE A 33 6.986 -3.992 -2.025 1.00 0.00 C ATOM 540 CD1 ILE A 33 10.574 -2.700 -1.497 1.00 0.00 C ATOM 0 H ILE A 33 9.656 -2.691 0.737 1.00 0.00 H new ATOM 0 HA ILE A 33 7.538 -1.535 -0.976 1.00 0.00 H new ATOM 0 HB ILE A 33 8.608 -4.351 -0.646 1.00 0.00 H new ATOM 0 HG12 ILE A 33 9.508 -3.884 -2.955 1.00 0.00 H new ATOM 0 HG13 ILE A 33 8.938 -2.232 -2.826 1.00 0.00 H new ATOM 0 HG21 ILE A 33 7.254 -4.823 -2.677 1.00 0.00 H new ATOM 0 HG22 ILE A 33 6.217 -4.315 -1.323 1.00 0.00 H new ATOM 0 HG23 ILE A 33 6.604 -3.167 -2.627 1.00 0.00 H new ATOM 0 HD11 ILE A 33 11.334 -2.382 -2.211 1.00 0.00 H new ATOM 0 HD12 ILE A 33 10.360 -1.884 -0.807 1.00 0.00 H new ATOM 0 HD13 ILE A 33 10.939 -3.561 -0.938 1.00 0.00 H new ATOM 552 N THR A 34 5.811 -1.899 0.833 1.00 0.00 N ATOM 553 CA THR A 34 4.689 -2.220 1.743 1.00 0.00 C ATOM 554 C THR A 34 3.587 -2.891 0.935 1.00 0.00 C ATOM 555 O THR A 34 3.041 -2.324 0.006 1.00 0.00 O ATOM 556 CB THR A 34 4.164 -0.927 2.377 1.00 0.00 C ATOM 557 OG1 THR A 34 5.072 -0.490 3.380 1.00 0.00 O ATOM 558 CG2 THR A 34 2.792 -1.177 3.004 1.00 0.00 C ATOM 0 H THR A 34 5.797 -0.957 0.441 1.00 0.00 H new ATOM 0 HA THR A 34 5.022 -2.890 2.535 1.00 0.00 H new ATOM 0 HB THR A 34 4.072 -0.160 1.608 1.00 0.00 H new ATOM 0 HG1 THR A 34 5.983 -0.491 3.019 1.00 0.00 H new ATOM 0 HG21 THR A 34 2.424 -0.255 3.453 1.00 0.00 H new ATOM 0 HG22 THR A 34 2.095 -1.509 2.234 1.00 0.00 H new ATOM 0 HG23 THR A 34 2.878 -1.946 3.772 1.00 0.00 H new ATOM 566 N ALA A 35 3.282 -4.110 1.273 1.00 0.00 N ATOM 567 CA ALA A 35 2.234 -4.855 0.530 1.00 0.00 C ATOM 568 C ALA A 35 0.856 -4.463 1.046 1.00 0.00 C ATOM 569 O ALA A 35 0.504 -4.753 2.168 1.00 0.00 O ATOM 570 CB ALA A 35 2.442 -6.344 0.752 1.00 0.00 C ATOM 0 H ALA A 35 3.717 -4.625 2.038 1.00 0.00 H new ATOM 0 HA ALA A 35 2.301 -4.617 -0.532 1.00 0.00 H new ATOM 0 HB1 ALA A 35 1.678 -6.903 0.211 1.00 0.00 H new ATOM 0 HB2 ALA A 35 3.428 -6.632 0.388 1.00 0.00 H new ATOM 0 HB3 ALA A 35 2.369 -6.567 1.816 1.00 0.00 H new ATOM 576 N CYS A 36 0.054 -3.835 0.237 1.00 0.00 N ATOM 577 CA CYS A 36 -1.303 -3.465 0.708 1.00 0.00 C ATOM 578 C CYS A 36 -2.295 -4.340 -0.046 1.00 0.00 C ATOM 579 O CYS A 36 -2.427 -4.245 -1.247 1.00 0.00 O ATOM 580 CB CYS A 36 -1.590 -1.967 0.463 1.00 0.00 C ATOM 581 SG CYS A 36 -0.260 -1.196 -0.490 1.00 0.00 S ATOM 0 H CYS A 36 0.277 -3.564 -0.721 1.00 0.00 H new ATOM 0 HA CYS A 36 -1.389 -3.626 1.783 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -2.534 -1.857 -0.070 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -1.702 -1.454 1.418 1.00 0.00 H new ATOM 0 HG CYS A 36 -0.103 -1.835 -1.611 1.00 0.00 H new ATOM 587 N ILE A 37 -2.968 -5.222 0.640 1.00 0.00 N ATOM 588 CA ILE A 37 -3.920 -6.117 -0.062 1.00 0.00 C ATOM 589 C ILE A 37 -5.207 -5.360 -0.345 1.00 0.00 C ATOM 590 O ILE A 37 -5.699 -4.616 0.491 1.00 0.00 O ATOM 591 CB ILE A 37 -4.229 -7.355 0.798 1.00 0.00 C ATOM 592 CG1 ILE A 37 -4.723 -8.495 -0.093 1.00 0.00 C ATOM 593 CG2 ILE A 37 -5.321 -7.031 1.813 1.00 0.00 C ATOM 594 CD1 ILE A 37 -6.071 -8.120 -0.712 1.00 0.00 C ATOM 0 H ILE A 37 -2.899 -5.359 1.648 1.00 0.00 H new ATOM 0 HA ILE A 37 -3.470 -6.446 -0.999 1.00 0.00 H new ATOM 0 HB ILE A 37 -3.317 -7.650 1.317 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -3.995 -8.697 -0.879 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -4.822 -9.409 0.492 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -5.531 -7.914 2.416 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -4.987 -6.221 2.461 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -6.226 -6.726 1.288 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -6.419 -8.935 -1.346 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -6.798 -7.940 0.080 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -5.957 -7.217 -1.312 1.00 0.00 H new ATOM 606 N VAL A 38 -5.742 -5.568 -1.517 1.00 0.00 N ATOM 607 CA VAL A 38 -7.006 -4.908 -1.923 1.00 0.00 C ATOM 608 C VAL A 38 -7.945 -5.979 -2.501 1.00 0.00 C ATOM 609 O VAL A 38 -7.513 -6.928 -3.129 1.00 0.00 O ATOM 610 CB VAL A 38 -6.687 -3.818 -2.970 1.00 0.00 C ATOM 611 CG1 VAL A 38 -7.319 -4.134 -4.334 1.00 0.00 C ATOM 612 CG2 VAL A 38 -7.218 -2.478 -2.465 1.00 0.00 C ATOM 0 H VAL A 38 -5.342 -6.184 -2.225 1.00 0.00 H new ATOM 0 HA VAL A 38 -7.495 -4.432 -1.073 1.00 0.00 H new ATOM 0 HB VAL A 38 -5.606 -3.780 -3.105 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -7.071 -3.343 -5.042 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -6.933 -5.085 -4.702 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -8.402 -4.199 -4.227 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -6.998 -1.700 -3.197 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -8.296 -2.545 -2.320 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -6.739 -2.231 -1.518 1.00 0.00 H new ATOM 622 N GLY A 39 -9.222 -5.826 -2.301 1.00 0.00 N ATOM 623 CA GLY A 39 -10.190 -6.824 -2.844 1.00 0.00 C ATOM 624 C GLY A 39 -9.663 -8.246 -2.630 1.00 0.00 C ATOM 625 O GLY A 39 -9.566 -8.723 -1.517 1.00 0.00 O ATOM 0 H GLY A 39 -9.641 -5.053 -1.784 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -11.156 -6.709 -2.352 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -10.350 -6.644 -3.907 1.00 0.00 H new ATOM 629 N SER A 40 -9.333 -8.934 -3.692 1.00 0.00 N ATOM 630 CA SER A 40 -8.826 -10.330 -3.551 1.00 0.00 C ATOM 631 C SER A 40 -7.401 -10.427 -4.106 1.00 0.00 C ATOM 632 O SER A 40 -6.807 -11.487 -4.131 1.00 0.00 O ATOM 633 CB SER A 40 -9.741 -11.279 -4.326 1.00 0.00 C ATOM 634 OG SER A 40 -10.813 -11.688 -3.486 1.00 0.00 O ATOM 0 H SER A 40 -9.393 -8.589 -4.650 1.00 0.00 H new ATOM 0 HA SER A 40 -8.817 -10.606 -2.496 1.00 0.00 H new ATOM 0 HB2 SER A 40 -10.130 -10.783 -5.215 1.00 0.00 H new ATOM 0 HB3 SER A 40 -9.178 -12.148 -4.666 1.00 0.00 H new ATOM 0 HG SER A 40 -11.403 -12.295 -3.980 1.00 0.00 H new ATOM 640 N ILE A 41 -6.844 -9.331 -4.543 1.00 0.00 N ATOM 641 CA ILE A 41 -5.454 -9.362 -5.085 1.00 0.00 C ATOM 642 C ILE A 41 -4.589 -8.418 -4.253 1.00 0.00 C ATOM 643 O ILE A 41 -5.086 -7.485 -3.662 1.00 0.00 O ATOM 644 CB ILE A 41 -5.459 -8.902 -6.544 1.00 0.00 C ATOM 645 CG1 ILE A 41 -6.666 -9.507 -7.265 1.00 0.00 C ATOM 646 CG2 ILE A 41 -4.173 -9.367 -7.230 1.00 0.00 C ATOM 647 CD1 ILE A 41 -7.768 -8.453 -7.390 1.00 0.00 C ATOM 0 H ILE A 41 -7.291 -8.414 -4.549 1.00 0.00 H new ATOM 0 HA ILE A 41 -5.057 -10.376 -5.036 1.00 0.00 H new ATOM 0 HB ILE A 41 -5.519 -7.814 -6.581 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -6.373 -9.861 -8.253 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -7.036 -10.372 -6.714 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -4.176 -9.039 -8.270 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -3.312 -8.939 -6.717 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -4.113 -10.455 -7.193 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -8.627 -8.884 -7.904 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -8.068 -8.121 -6.396 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -7.395 -7.602 -7.960 1.00 0.00 H new ATOM 659 N VAL A 42 -3.305 -8.645 -4.187 1.00 0.00 N ATOM 660 CA VAL A 42 -2.447 -7.736 -3.368 1.00 0.00 C ATOM 661 C VAL A 42 -1.940 -6.580 -4.221 1.00 0.00 C ATOM 662 O VAL A 42 -1.906 -6.641 -5.434 1.00 0.00 O ATOM 663 CB VAL A 42 -1.231 -8.472 -2.790 1.00 0.00 C ATOM 664 CG1 VAL A 42 -1.190 -8.270 -1.276 1.00 0.00 C ATOM 665 CG2 VAL A 42 -1.306 -9.970 -3.104 1.00 0.00 C ATOM 0 H VAL A 42 -2.817 -9.408 -4.656 1.00 0.00 H new ATOM 0 HA VAL A 42 -3.064 -7.367 -2.549 1.00 0.00 H new ATOM 0 HB VAL A 42 -0.327 -8.066 -3.244 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -0.327 -8.792 -0.863 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -1.112 -7.206 -1.053 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -2.102 -8.668 -0.831 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.435 -10.474 -2.686 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -2.212 -10.389 -2.666 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.325 -10.115 -4.184 1.00 0.00 H new ATOM 675 N THR A 43 -1.531 -5.531 -3.574 1.00 0.00 N ATOM 676 CA THR A 43 -0.998 -4.347 -4.294 1.00 0.00 C ATOM 677 C THR A 43 0.025 -3.667 -3.384 1.00 0.00 C ATOM 678 O THR A 43 -0.317 -2.839 -2.575 1.00 0.00 O ATOM 679 CB THR A 43 -2.149 -3.381 -4.605 1.00 0.00 C ATOM 680 OG1 THR A 43 -3.001 -3.966 -5.579 1.00 0.00 O ATOM 681 CG2 THR A 43 -1.595 -2.058 -5.141 1.00 0.00 C ATOM 0 H THR A 43 -1.544 -5.442 -2.558 1.00 0.00 H new ATOM 0 HA THR A 43 -0.528 -4.643 -5.232 1.00 0.00 H new ATOM 0 HB THR A 43 -2.710 -3.186 -3.691 1.00 0.00 H new ATOM 0 HG1 THR A 43 -2.687 -4.871 -5.787 1.00 0.00 H new ATOM 0 HG21 THR A 43 -2.420 -1.380 -5.359 1.00 0.00 H new ATOM 0 HG22 THR A 43 -0.942 -1.607 -4.393 1.00 0.00 H new ATOM 0 HG23 THR A 43 -1.028 -2.244 -6.053 1.00 0.00 H new ATOM 689 N GLU A 44 1.272 -4.035 -3.478 1.00 0.00 N ATOM 690 CA GLU A 44 2.291 -3.412 -2.581 1.00 0.00 C ATOM 691 C GLU A 44 2.727 -2.055 -3.122 1.00 0.00 C ATOM 692 O GLU A 44 2.175 -1.541 -4.075 1.00 0.00 O ATOM 693 CB GLU A 44 3.514 -4.318 -2.468 1.00 0.00 C ATOM 694 CG GLU A 44 3.080 -5.782 -2.545 1.00 0.00 C ATOM 695 CD GLU A 44 4.250 -6.682 -2.147 1.00 0.00 C ATOM 696 OE1 GLU A 44 4.898 -6.376 -1.160 1.00 0.00 O ATOM 697 OE2 GLU A 44 4.479 -7.662 -2.836 1.00 0.00 O ATOM 0 H GLU A 44 1.630 -4.733 -4.130 1.00 0.00 H new ATOM 0 HA GLU A 44 1.839 -3.278 -1.598 1.00 0.00 H new ATOM 0 HB2 GLU A 44 4.219 -4.095 -3.269 1.00 0.00 H new ATOM 0 HB3 GLU A 44 4.031 -4.131 -1.527 1.00 0.00 H new ATOM 0 HG2 GLU A 44 2.232 -5.956 -1.883 1.00 0.00 H new ATOM 0 HG3 GLU A 44 2.750 -6.022 -3.556 1.00 0.00 H new ATOM 704 N GLY A 45 3.720 -1.470 -2.508 1.00 0.00 N ATOM 705 CA GLY A 45 4.204 -0.134 -2.977 1.00 0.00 C ATOM 706 C GLY A 45 5.519 0.202 -2.277 1.00 0.00 C ATOM 707 O GLY A 45 5.581 0.286 -1.071 1.00 0.00 O ATOM 0 H GLY A 45 4.217 -1.855 -1.705 1.00 0.00 H new ATOM 0 HA2 GLY A 45 4.347 -0.145 -4.058 1.00 0.00 H new ATOM 0 HA3 GLY A 45 3.458 0.632 -2.762 1.00 0.00 H new ATOM 711 N GLU A 46 6.574 0.386 -3.019 1.00 0.00 N ATOM 712 CA GLU A 46 7.884 0.692 -2.372 1.00 0.00 C ATOM 713 C GLU A 46 7.976 2.167 -1.987 1.00 0.00 C ATOM 714 O GLU A 46 8.413 2.998 -2.759 1.00 0.00 O ATOM 715 CB GLU A 46 9.047 0.337 -3.305 1.00 0.00 C ATOM 716 CG GLU A 46 8.577 -0.593 -4.428 1.00 0.00 C ATOM 717 CD GLU A 46 8.200 0.238 -5.655 1.00 0.00 C ATOM 718 OE1 GLU A 46 9.069 0.916 -6.177 1.00 0.00 O ATOM 719 OE2 GLU A 46 7.047 0.183 -6.052 1.00 0.00 O ATOM 0 H GLU A 46 6.589 0.339 -4.038 1.00 0.00 H new ATOM 0 HA GLU A 46 7.951 0.087 -1.468 1.00 0.00 H new ATOM 0 HB2 GLU A 46 9.468 1.247 -3.732 1.00 0.00 H new ATOM 0 HB3 GLU A 46 9.842 -0.145 -2.736 1.00 0.00 H new ATOM 0 HG2 GLU A 46 9.366 -1.300 -4.683 1.00 0.00 H new ATOM 0 HG3 GLU A 46 7.720 -1.178 -4.095 1.00 0.00 H new ATOM 726 N GLY A 47 7.592 2.490 -0.782 1.00 0.00 N ATOM 727 CA GLY A 47 7.683 3.907 -0.322 1.00 0.00 C ATOM 728 C GLY A 47 9.122 4.193 0.121 1.00 0.00 C ATOM 729 O GLY A 47 9.645 3.552 1.011 1.00 0.00 O ATOM 0 H GLY A 47 7.219 1.834 -0.095 1.00 0.00 H new ATOM 0 HA2 GLY A 47 7.395 4.584 -1.126 1.00 0.00 H new ATOM 0 HA3 GLY A 47 6.993 4.081 0.504 1.00 0.00 H new ATOM 733 N ASN A 48 9.771 5.141 -0.500 1.00 0.00 N ATOM 734 CA ASN A 48 11.181 5.458 -0.124 1.00 0.00 C ATOM 735 C ASN A 48 11.249 5.916 1.336 1.00 0.00 C ATOM 736 O ASN A 48 10.948 7.048 1.658 1.00 0.00 O ATOM 737 CB ASN A 48 11.709 6.571 -1.031 1.00 0.00 C ATOM 738 CG ASN A 48 13.235 6.637 -0.926 1.00 0.00 C ATOM 739 OD1 ASN A 48 13.932 6.391 -1.890 1.00 0.00 O ATOM 740 ND2 ASN A 48 13.785 6.961 0.212 1.00 0.00 N ATOM 0 H ASN A 48 9.386 5.711 -1.253 1.00 0.00 H new ATOM 0 HA ASN A 48 11.791 4.563 -0.243 1.00 0.00 H new ATOM 0 HB2 ASN A 48 11.413 6.384 -2.063 1.00 0.00 H new ATOM 0 HB3 ASN A 48 11.273 7.527 -0.742 1.00 0.00 H new ATOM 0 HD21 ASN A 48 14.801 7.008 0.292 1.00 0.00 H new ATOM 0 HD22 ASN A 48 13.199 7.167 1.021 1.00 0.00 H new ATOM 747 N GLY A 49 11.657 5.047 2.222 1.00 0.00 N ATOM 748 CA GLY A 49 11.755 5.436 3.659 1.00 0.00 C ATOM 749 C GLY A 49 11.127 4.349 4.533 1.00 0.00 C ATOM 750 O GLY A 49 10.597 3.372 4.043 1.00 0.00 O ATOM 0 H GLY A 49 11.926 4.086 2.013 1.00 0.00 H new ATOM 0 HA2 GLY A 49 12.799 5.580 3.936 1.00 0.00 H new ATOM 0 HA3 GLY A 49 11.247 6.386 3.824 1.00 0.00 H new ATOM 754 N LYS A 50 11.184 4.512 5.827 1.00 0.00 N ATOM 755 CA LYS A 50 10.594 3.490 6.737 1.00 0.00 C ATOM 756 C LYS A 50 9.164 3.895 7.104 1.00 0.00 C ATOM 757 O LYS A 50 8.252 3.094 7.060 1.00 0.00 O ATOM 758 CB LYS A 50 11.440 3.395 8.009 1.00 0.00 C ATOM 759 CG LYS A 50 11.322 4.700 8.799 1.00 0.00 C ATOM 760 CD LYS A 50 12.308 4.686 9.968 1.00 0.00 C ATOM 761 CE LYS A 50 11.583 5.092 11.251 1.00 0.00 C ATOM 762 NZ LYS A 50 11.583 6.578 11.374 1.00 0.00 N ATOM 0 H LYS A 50 11.615 5.310 6.294 1.00 0.00 H new ATOM 0 HA LYS A 50 10.578 2.522 6.236 1.00 0.00 H new ATOM 0 HB2 LYS A 50 11.105 2.556 8.619 1.00 0.00 H new ATOM 0 HB3 LYS A 50 12.482 3.206 7.752 1.00 0.00 H new ATOM 0 HG2 LYS A 50 11.527 5.550 8.148 1.00 0.00 H new ATOM 0 HG3 LYS A 50 10.304 4.821 9.170 1.00 0.00 H new ATOM 0 HD2 LYS A 50 12.740 3.692 10.081 1.00 0.00 H new ATOM 0 HD3 LYS A 50 13.132 5.372 9.771 1.00 0.00 H new ATOM 0 HE2 LYS A 50 10.559 4.718 11.237 1.00 0.00 H new ATOM 0 HE3 LYS A 50 12.074 4.645 12.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 11.090 6.854 12.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 12.563 6.924 11.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 11.096 6.994 10.555 1.00 0.00 H new ATOM 776 N LYS A 51 8.960 5.132 7.464 1.00 0.00 N ATOM 777 CA LYS A 51 7.589 5.583 7.830 1.00 0.00 C ATOM 778 C LYS A 51 6.821 5.959 6.562 1.00 0.00 C ATOM 779 O LYS A 51 5.628 6.190 6.592 1.00 0.00 O ATOM 780 CB LYS A 51 7.681 6.802 8.750 1.00 0.00 C ATOM 781 CG LYS A 51 6.276 7.340 9.027 1.00 0.00 C ATOM 782 CD LYS A 51 6.366 8.531 9.983 1.00 0.00 C ATOM 783 CE LYS A 51 5.402 8.323 11.151 1.00 0.00 C ATOM 784 NZ LYS A 51 5.228 9.609 11.885 1.00 0.00 N ATOM 0 H LYS A 51 9.683 5.849 7.520 1.00 0.00 H new ATOM 0 HA LYS A 51 7.067 4.777 8.346 1.00 0.00 H new ATOM 0 HB2 LYS A 51 8.168 6.528 9.686 1.00 0.00 H new ATOM 0 HB3 LYS A 51 8.293 7.575 8.286 1.00 0.00 H new ATOM 0 HG2 LYS A 51 5.801 7.644 8.094 1.00 0.00 H new ATOM 0 HG3 LYS A 51 5.654 6.557 9.461 1.00 0.00 H new ATOM 0 HD2 LYS A 51 7.386 8.637 10.354 1.00 0.00 H new ATOM 0 HD3 LYS A 51 6.121 9.453 9.456 1.00 0.00 H new ATOM 0 HE2 LYS A 51 4.439 7.968 10.783 1.00 0.00 H new ATOM 0 HE3 LYS A 51 5.788 7.557 11.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 4.572 9.469 12.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 6.149 9.929 12.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 4.841 10.327 11.240 1.00 0.00 H new ATOM 798 N VAL A 52 7.495 6.023 5.445 1.00 0.00 N ATOM 799 CA VAL A 52 6.802 6.385 4.178 1.00 0.00 C ATOM 800 C VAL A 52 6.176 5.131 3.563 1.00 0.00 C ATOM 801 O VAL A 52 5.096 5.175 3.025 1.00 0.00 O ATOM 802 CB VAL A 52 7.817 7.022 3.205 1.00 0.00 C ATOM 803 CG1 VAL A 52 8.392 5.980 2.232 1.00 0.00 C ATOM 804 CG2 VAL A 52 7.123 8.127 2.405 1.00 0.00 C ATOM 0 H VAL A 52 8.495 5.840 5.357 1.00 0.00 H new ATOM 0 HA VAL A 52 6.010 7.106 4.379 1.00 0.00 H new ATOM 0 HB VAL A 52 8.639 7.433 3.791 1.00 0.00 H new ATOM 0 HG11 VAL A 52 9.103 6.462 1.561 1.00 0.00 H new ATOM 0 HG12 VAL A 52 8.899 5.197 2.796 1.00 0.00 H new ATOM 0 HG13 VAL A 52 7.583 5.541 1.648 1.00 0.00 H new ATOM 0 HG21 VAL A 52 7.836 8.580 1.716 1.00 0.00 H new ATOM 0 HG22 VAL A 52 6.293 7.701 1.840 1.00 0.00 H new ATOM 0 HG23 VAL A 52 6.745 8.888 3.088 1.00 0.00 H new ATOM 814 N SER A 53 6.865 4.023 3.630 1.00 0.00 N ATOM 815 CA SER A 53 6.336 2.754 3.039 1.00 0.00 C ATOM 816 C SER A 53 4.816 2.666 3.203 1.00 0.00 C ATOM 817 O SER A 53 4.133 2.070 2.396 1.00 0.00 O ATOM 818 CB SER A 53 6.982 1.560 3.740 1.00 0.00 C ATOM 819 OG SER A 53 7.209 0.528 2.790 1.00 0.00 O ATOM 0 H SER A 53 7.780 3.940 4.073 1.00 0.00 H new ATOM 0 HA SER A 53 6.575 2.744 1.976 1.00 0.00 H new ATOM 0 HB2 SER A 53 7.923 1.859 4.202 1.00 0.00 H new ATOM 0 HB3 SER A 53 6.335 1.199 4.540 1.00 0.00 H new ATOM 0 HG SER A 53 7.592 0.913 1.974 1.00 0.00 H new ATOM 825 N LYS A 54 4.278 3.249 4.236 1.00 0.00 N ATOM 826 CA LYS A 54 2.802 3.186 4.434 1.00 0.00 C ATOM 827 C LYS A 54 2.114 4.157 3.474 1.00 0.00 C ATOM 828 O LYS A 54 1.179 3.805 2.783 1.00 0.00 O ATOM 829 CB LYS A 54 2.467 3.567 5.876 1.00 0.00 C ATOM 830 CG LYS A 54 2.196 2.297 6.682 1.00 0.00 C ATOM 831 CD LYS A 54 1.465 2.657 7.976 1.00 0.00 C ATOM 832 CE LYS A 54 1.438 1.437 8.898 1.00 0.00 C ATOM 833 NZ LYS A 54 2.749 1.315 9.596 1.00 0.00 N ATOM 0 H LYS A 54 4.793 3.765 4.950 1.00 0.00 H new ATOM 0 HA LYS A 54 2.451 2.174 4.234 1.00 0.00 H new ATOM 0 HB2 LYS A 54 3.293 4.124 6.319 1.00 0.00 H new ATOM 0 HB3 LYS A 54 1.594 4.220 5.899 1.00 0.00 H new ATOM 0 HG2 LYS A 54 1.596 1.602 6.094 1.00 0.00 H new ATOM 0 HG3 LYS A 54 3.135 1.792 6.911 1.00 0.00 H new ATOM 0 HD2 LYS A 54 1.966 3.490 8.470 1.00 0.00 H new ATOM 0 HD3 LYS A 54 0.449 2.982 7.754 1.00 0.00 H new ATOM 0 HE2 LYS A 54 0.633 1.536 9.627 1.00 0.00 H new ATOM 0 HE3 LYS A 54 1.236 0.535 8.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 2.679 0.595 10.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 3.481 1.035 8.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 3.003 2.230 10.020 1.00 0.00 H new ATOM 847 N LYS A 55 2.564 5.379 3.430 1.00 0.00 N ATOM 848 CA LYS A 55 1.934 6.377 2.520 1.00 0.00 C ATOM 849 C LYS A 55 2.121 5.951 1.058 1.00 0.00 C ATOM 850 O LYS A 55 1.260 6.164 0.227 1.00 0.00 O ATOM 851 CB LYS A 55 2.592 7.741 2.739 1.00 0.00 C ATOM 852 CG LYS A 55 1.910 8.785 1.854 1.00 0.00 C ATOM 853 CD LYS A 55 1.885 10.132 2.580 1.00 0.00 C ATOM 854 CE LYS A 55 2.920 11.069 1.954 1.00 0.00 C ATOM 855 NZ LYS A 55 2.224 12.211 1.298 1.00 0.00 N ATOM 0 H LYS A 55 3.343 5.731 3.986 1.00 0.00 H new ATOM 0 HA LYS A 55 0.868 6.438 2.738 1.00 0.00 H new ATOM 0 HB2 LYS A 55 2.514 8.030 3.787 1.00 0.00 H new ATOM 0 HB3 LYS A 55 3.655 7.686 2.502 1.00 0.00 H new ATOM 0 HG2 LYS A 55 2.443 8.880 0.908 1.00 0.00 H new ATOM 0 HG3 LYS A 55 0.894 8.469 1.617 1.00 0.00 H new ATOM 0 HD2 LYS A 55 0.891 10.574 2.513 1.00 0.00 H new ATOM 0 HD3 LYS A 55 2.101 9.990 3.639 1.00 0.00 H new ATOM 0 HE2 LYS A 55 3.603 11.437 2.720 1.00 0.00 H new ATOM 0 HE3 LYS A 55 3.521 10.528 1.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 2.927 12.848 0.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 1.589 11.851 0.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 1.669 12.732 2.006 1.00 0.00 H new ATOM 869 N ARG A 56 3.240 5.360 0.734 1.00 0.00 N ATOM 870 CA ARG A 56 3.479 4.935 -0.672 1.00 0.00 C ATOM 871 C ARG A 56 2.693 3.659 -0.970 1.00 0.00 C ATOM 872 O ARG A 56 2.129 3.510 -2.033 1.00 0.00 O ATOM 873 CB ARG A 56 4.972 4.678 -0.889 1.00 0.00 C ATOM 874 CG ARG A 56 5.342 5.047 -2.328 1.00 0.00 C ATOM 875 CD ARG A 56 5.454 6.567 -2.450 1.00 0.00 C ATOM 876 NE ARG A 56 6.884 6.974 -2.345 1.00 0.00 N ATOM 877 CZ ARG A 56 7.251 8.170 -2.716 1.00 0.00 C ATOM 878 NH1 ARG A 56 6.391 9.152 -2.696 1.00 0.00 N ATOM 879 NH2 ARG A 56 8.477 8.385 -3.107 1.00 0.00 N ATOM 0 H ARG A 56 3.998 5.154 1.384 1.00 0.00 H new ATOM 0 HA ARG A 56 3.147 5.727 -1.343 1.00 0.00 H new ATOM 0 HB2 ARG A 56 5.561 5.268 -0.187 1.00 0.00 H new ATOM 0 HB3 ARG A 56 5.204 3.630 -0.698 1.00 0.00 H new ATOM 0 HG2 ARG A 56 6.287 4.578 -2.604 1.00 0.00 H new ATOM 0 HG3 ARG A 56 4.586 4.671 -3.017 1.00 0.00 H new ATOM 0 HD2 ARG A 56 5.041 6.897 -3.403 1.00 0.00 H new ATOM 0 HD3 ARG A 56 4.870 7.049 -1.666 1.00 0.00 H new ATOM 0 HE ARG A 56 7.576 6.318 -1.983 1.00 0.00 H new ATOM 0 HH11 ARG A 56 5.432 8.984 -2.390 1.00 0.00 H new ATOM 0 HH12 ARG A 56 6.678 10.087 -2.986 1.00 0.00 H new ATOM 0 HH21 ARG A 56 9.149 7.618 -3.123 1.00 0.00 H new ATOM 0 HH22 ARG A 56 8.763 9.320 -3.397 1.00 0.00 H new ATOM 893 N ALA A 57 2.642 2.734 -0.049 1.00 0.00 N ATOM 894 CA ALA A 57 1.878 1.488 -0.317 1.00 0.00 C ATOM 895 C ALA A 57 0.411 1.861 -0.541 1.00 0.00 C ATOM 896 O ALA A 57 -0.198 1.460 -1.508 1.00 0.00 O ATOM 897 CB ALA A 57 1.976 0.516 0.872 1.00 0.00 C ATOM 0 H ALA A 57 3.091 2.788 0.865 1.00 0.00 H new ATOM 0 HA ALA A 57 2.293 0.996 -1.197 1.00 0.00 H new ATOM 0 HB1 ALA A 57 1.408 -0.388 0.651 1.00 0.00 H new ATOM 0 HB2 ALA A 57 3.020 0.256 1.044 1.00 0.00 H new ATOM 0 HB3 ALA A 57 1.569 0.991 1.765 1.00 0.00 H new ATOM 903 N ALA A 58 -0.162 2.609 0.367 1.00 0.00 N ATOM 904 CA ALA A 58 -1.596 2.999 0.234 1.00 0.00 C ATOM 905 C ALA A 58 -1.793 3.853 -1.019 1.00 0.00 C ATOM 906 O ALA A 58 -2.586 3.521 -1.874 1.00 0.00 O ATOM 907 CB ALA A 58 -2.037 3.786 1.472 1.00 0.00 C ATOM 0 H ALA A 58 0.306 2.968 1.199 1.00 0.00 H new ATOM 0 HA ALA A 58 -2.202 2.097 0.147 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -3.085 4.068 1.370 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -1.913 3.166 2.360 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -1.427 4.684 1.568 1.00 0.00 H new ATOM 913 N GLU A 59 -1.086 4.946 -1.151 1.00 0.00 N ATOM 914 CA GLU A 59 -1.266 5.780 -2.376 1.00 0.00 C ATOM 915 C GLU A 59 -1.243 4.856 -3.585 1.00 0.00 C ATOM 916 O GLU A 59 -2.046 4.967 -4.485 1.00 0.00 O ATOM 917 CB GLU A 59 -0.129 6.793 -2.508 1.00 0.00 C ATOM 918 CG GLU A 59 -0.458 8.043 -1.691 1.00 0.00 C ATOM 919 CD GLU A 59 0.012 9.286 -2.449 1.00 0.00 C ATOM 920 OE1 GLU A 59 -0.016 9.258 -3.669 1.00 0.00 O ATOM 921 OE2 GLU A 59 0.392 10.244 -1.798 1.00 0.00 O ATOM 0 H GLU A 59 -0.404 5.292 -0.477 1.00 0.00 H new ATOM 0 HA GLU A 59 -2.210 6.320 -2.311 1.00 0.00 H new ATOM 0 HB2 GLU A 59 0.805 6.354 -2.159 1.00 0.00 H new ATOM 0 HB3 GLU A 59 0.015 7.058 -3.555 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -1.531 8.099 -1.509 1.00 0.00 H new ATOM 0 HG3 GLU A 59 0.029 7.992 -0.717 1.00 0.00 H new ATOM 928 N LYS A 60 -0.328 3.932 -3.593 1.00 0.00 N ATOM 929 CA LYS A 60 -0.236 2.974 -4.722 1.00 0.00 C ATOM 930 C LYS A 60 -1.551 2.201 -4.818 1.00 0.00 C ATOM 931 O LYS A 60 -2.081 1.991 -5.886 1.00 0.00 O ATOM 932 CB LYS A 60 0.918 2.002 -4.459 1.00 0.00 C ATOM 933 CG LYS A 60 1.986 2.171 -5.543 1.00 0.00 C ATOM 934 CD LYS A 60 1.613 1.329 -6.765 1.00 0.00 C ATOM 935 CE LYS A 60 2.747 1.386 -7.791 1.00 0.00 C ATOM 936 NZ LYS A 60 3.338 0.028 -7.957 1.00 0.00 N ATOM 0 H LYS A 60 0.366 3.799 -2.858 1.00 0.00 H new ATOM 0 HA LYS A 60 -0.055 3.505 -5.656 1.00 0.00 H new ATOM 0 HB2 LYS A 60 1.350 2.191 -3.476 1.00 0.00 H new ATOM 0 HB3 LYS A 60 0.549 0.976 -4.454 1.00 0.00 H new ATOM 0 HG2 LYS A 60 2.071 3.221 -5.824 1.00 0.00 H new ATOM 0 HG3 LYS A 60 2.959 1.864 -5.160 1.00 0.00 H new ATOM 0 HD2 LYS A 60 1.430 0.297 -6.466 1.00 0.00 H new ATOM 0 HD3 LYS A 60 0.689 1.701 -7.208 1.00 0.00 H new ATOM 0 HE2 LYS A 60 2.369 1.749 -8.747 1.00 0.00 H new ATOM 0 HE3 LYS A 60 3.512 2.090 -7.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 4.109 0.068 -8.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 3.713 -0.301 -7.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 2.605 -0.631 -8.288 1.00 0.00 H new ATOM 950 N MET A 61 -2.073 1.781 -3.698 1.00 0.00 N ATOM 951 CA MET A 61 -3.351 1.019 -3.679 1.00 0.00 C ATOM 952 C MET A 61 -4.507 1.899 -4.164 1.00 0.00 C ATOM 953 O MET A 61 -5.052 1.704 -5.237 1.00 0.00 O ATOM 954 CB MET A 61 -3.620 0.594 -2.240 1.00 0.00 C ATOM 955 CG MET A 61 -5.035 0.042 -2.120 1.00 0.00 C ATOM 956 SD MET A 61 -5.028 -1.282 -0.897 1.00 0.00 S ATOM 957 CE MET A 61 -4.102 -2.459 -1.905 1.00 0.00 C ATOM 0 H MET A 61 -1.659 1.938 -2.779 1.00 0.00 H new ATOM 0 HA MET A 61 -3.273 0.154 -4.337 1.00 0.00 H new ATOM 0 HB2 MET A 61 -2.898 -0.163 -1.934 1.00 0.00 H new ATOM 0 HB3 MET A 61 -3.494 1.445 -1.570 1.00 0.00 H new ATOM 0 HG2 MET A 61 -5.726 0.831 -1.821 1.00 0.00 H new ATOM 0 HG3 MET A 61 -5.378 -0.334 -3.084 1.00 0.00 H new ATOM 0 HE1 MET A 61 -4.373 -3.475 -1.619 1.00 0.00 H new ATOM 0 HE2 MET A 61 -4.339 -2.303 -2.957 1.00 0.00 H new ATOM 0 HE3 MET A 61 -3.034 -2.311 -1.748 1.00 0.00 H new ATOM 967 N LEU A 62 -4.892 2.867 -3.378 1.00 0.00 N ATOM 968 CA LEU A 62 -6.009 3.752 -3.794 1.00 0.00 C ATOM 969 C LEU A 62 -5.748 4.189 -5.225 1.00 0.00 C ATOM 970 O LEU A 62 -6.490 3.865 -6.120 1.00 0.00 O ATOM 971 CB LEU A 62 -6.084 4.975 -2.863 1.00 0.00 C ATOM 972 CG LEU A 62 -6.225 4.557 -1.378 1.00 0.00 C ATOM 973 CD1 LEU A 62 -7.409 5.298 -0.747 1.00 0.00 C ATOM 974 CD2 LEU A 62 -6.461 3.045 -1.229 1.00 0.00 C ATOM 0 H LEU A 62 -4.481 3.080 -2.469 1.00 0.00 H new ATOM 0 HA LEU A 62 -6.960 3.224 -3.732 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.187 5.582 -2.987 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -6.932 5.598 -3.148 1.00 0.00 H new ATOM 0 HG LEU A 62 -5.293 4.814 -0.875 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -7.508 5.003 0.298 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -7.239 6.373 -0.806 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -8.324 5.045 -1.283 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -6.554 2.794 -0.172 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -7.377 2.767 -1.751 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -5.619 2.501 -1.658 1.00 0.00 H new ATOM 986 N VAL A 63 -4.681 4.891 -5.453 1.00 0.00 N ATOM 987 CA VAL A 63 -4.359 5.318 -6.840 1.00 0.00 C ATOM 988 C VAL A 63 -4.575 4.133 -7.790 1.00 0.00 C ATOM 989 O VAL A 63 -5.040 4.287 -8.902 1.00 0.00 O ATOM 990 CB VAL A 63 -2.894 5.747 -6.892 1.00 0.00 C ATOM 991 CG1 VAL A 63 -2.505 6.056 -8.330 1.00 0.00 C ATOM 992 CG2 VAL A 63 -2.692 6.993 -6.027 1.00 0.00 C ATOM 0 H VAL A 63 -4.015 5.189 -4.740 1.00 0.00 H new ATOM 0 HA VAL A 63 -5.000 6.148 -7.138 1.00 0.00 H new ATOM 0 HB VAL A 63 -2.268 4.940 -6.513 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -1.459 6.362 -8.366 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -2.644 5.166 -8.944 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -3.132 6.862 -8.712 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -1.646 7.297 -6.066 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -3.319 7.802 -6.402 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -2.967 6.769 -4.996 1.00 0.00 H new ATOM 1002 N GLU A 64 -4.225 2.953 -7.352 1.00 0.00 N ATOM 1003 CA GLU A 64 -4.386 1.739 -8.209 1.00 0.00 C ATOM 1004 C GLU A 64 -5.848 1.555 -8.635 1.00 0.00 C ATOM 1005 O GLU A 64 -6.148 1.471 -9.809 1.00 0.00 O ATOM 1006 CB GLU A 64 -3.943 0.495 -7.434 1.00 0.00 C ATOM 1007 CG GLU A 64 -2.787 -0.186 -8.170 1.00 0.00 C ATOM 1008 CD GLU A 64 -1.503 0.622 -7.975 1.00 0.00 C ATOM 1009 OE1 GLU A 64 -1.517 1.804 -8.279 1.00 0.00 O ATOM 1010 OE2 GLU A 64 -0.527 0.045 -7.525 1.00 0.00 O ATOM 0 H GLU A 64 -3.830 2.775 -6.428 1.00 0.00 H new ATOM 0 HA GLU A 64 -3.769 1.872 -9.098 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -3.632 0.773 -6.427 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -4.779 -0.197 -7.330 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -2.651 -1.200 -7.793 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -3.018 -0.269 -9.232 1.00 0.00 H new ATOM 1017 N LEU A 65 -6.760 1.456 -7.700 1.00 0.00 N ATOM 1018 CA LEU A 65 -8.188 1.237 -8.099 1.00 0.00 C ATOM 1019 C LEU A 65 -9.045 2.473 -7.825 1.00 0.00 C ATOM 1020 O LEU A 65 -10.247 2.384 -7.671 1.00 0.00 O ATOM 1021 CB LEU A 65 -8.770 0.027 -7.358 1.00 0.00 C ATOM 1022 CG LEU A 65 -8.410 0.054 -5.867 1.00 0.00 C ATOM 1023 CD1 LEU A 65 -6.977 -0.431 -5.657 1.00 0.00 C ATOM 1024 CD2 LEU A 65 -8.576 1.462 -5.296 1.00 0.00 C ATOM 0 H LEU A 65 -6.585 1.516 -6.697 1.00 0.00 H new ATOM 0 HA LEU A 65 -8.203 1.046 -9.172 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -9.854 0.017 -7.471 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -8.394 -0.892 -7.808 1.00 0.00 H new ATOM 0 HG LEU A 65 -9.090 -0.616 -5.340 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -6.737 -0.406 -4.594 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -6.880 -1.452 -6.027 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -6.290 0.218 -6.200 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -8.316 1.458 -4.238 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -7.920 2.150 -5.829 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -9.611 1.783 -5.414 1.00 0.00 H new ATOM 1036 N GLN A 66 -8.444 3.617 -7.772 1.00 0.00 N ATOM 1037 CA GLN A 66 -9.227 4.859 -7.517 1.00 0.00 C ATOM 1038 C GLN A 66 -9.219 5.734 -8.772 1.00 0.00 C ATOM 1039 O GLN A 66 -10.061 6.592 -8.947 1.00 0.00 O ATOM 1040 CB GLN A 66 -8.606 5.631 -6.351 1.00 0.00 C ATOM 1041 CG GLN A 66 -8.990 4.958 -5.033 1.00 0.00 C ATOM 1042 CD GLN A 66 -10.457 5.158 -4.760 1.00 0.00 C ATOM 1043 OE1 GLN A 66 -11.227 5.485 -5.641 1.00 0.00 O ATOM 1044 NE2 GLN A 66 -10.872 4.971 -3.555 1.00 0.00 N ATOM 0 H GLN A 66 -7.441 3.754 -7.894 1.00 0.00 H new ATOM 0 HA GLN A 66 -10.254 4.593 -7.266 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -7.521 5.658 -6.455 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -8.953 6.664 -6.359 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -8.762 3.893 -5.079 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -8.400 5.375 -4.217 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -10.214 4.697 -2.826 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -11.859 5.097 -3.330 1.00 0.00 H new ATOM 1053 N LYS A 67 -8.275 5.524 -9.648 1.00 0.00 N ATOM 1054 CA LYS A 67 -8.217 6.345 -10.890 1.00 0.00 C ATOM 1055 C LYS A 67 -8.851 5.570 -12.047 1.00 0.00 C ATOM 1056 O LYS A 67 -9.453 6.143 -12.933 1.00 0.00 O ATOM 1057 CB LYS A 67 -6.758 6.662 -11.229 1.00 0.00 C ATOM 1058 CG LYS A 67 -6.498 8.157 -11.029 1.00 0.00 C ATOM 1059 CD LYS A 67 -5.989 8.401 -9.607 1.00 0.00 C ATOM 1060 CE LYS A 67 -4.584 9.005 -9.664 1.00 0.00 C ATOM 1061 NZ LYS A 67 -4.658 10.466 -9.379 1.00 0.00 N ATOM 0 H LYS A 67 -7.542 4.820 -9.557 1.00 0.00 H new ATOM 0 HA LYS A 67 -8.763 7.275 -10.733 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -6.091 6.078 -10.594 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -6.544 6.380 -12.260 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -5.765 8.510 -11.754 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -7.414 8.722 -11.201 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -6.664 9.074 -9.078 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -5.971 7.464 -9.050 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -3.936 8.514 -8.937 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -4.144 8.837 -10.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -3.703 10.876 -9.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -5.262 10.928 -10.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -5.060 10.615 -8.432 1.00 0.00 H new ATOM 1075 N LEU A 68 -8.717 4.272 -12.051 1.00 0.00 N ATOM 1076 CA LEU A 68 -9.307 3.467 -13.150 1.00 0.00 C ATOM 1077 C LEU A 68 -10.799 3.251 -12.887 1.00 0.00 C ATOM 1078 O LEU A 68 -11.328 3.916 -12.012 1.00 0.00 O ATOM 1079 CB LEU A 68 -8.597 2.117 -13.214 1.00 0.00 C ATOM 1080 CG LEU A 68 -7.085 2.331 -13.120 1.00 0.00 C ATOM 1081 CD1 LEU A 68 -6.360 1.025 -13.454 1.00 0.00 C ATOM 1082 CD2 LEU A 68 -6.662 3.414 -14.114 1.00 0.00 C ATOM 1083 OXT LEU A 68 -11.386 2.424 -13.565 1.00 0.00 O ATOM 0 H LEU A 68 -8.223 3.736 -11.338 1.00 0.00 H new ATOM 0 HA LEU A 68 -9.185 3.993 -14.097 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -8.936 1.477 -12.399 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -8.846 1.607 -14.145 1.00 0.00 H new ATOM 0 HG LEU A 68 -6.826 2.641 -12.108 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -5.283 1.179 -13.387 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -6.661 0.251 -12.748 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -6.619 0.713 -14.466 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -5.585 3.568 -14.048 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -6.923 3.102 -15.125 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -7.176 4.346 -13.878 1.00 0.00 H new TER 1095 LEU A 68