USER MOD reduce.3.24.130724 H: found=0, std=0, add=490, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 410 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 47 CYS SG : rot -76:sc= 0.011 USER MOD Set 1.2: A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 ARG N :NH3+ -167:sc= -0.11 (180deg=-0.432) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ -158:sc= 0 (180deg=-0.284) USER MOD Single : A 8 GLN : amide:sc= -0.342 K(o=-0.34,f=-3.1!) USER MOD Single : A 11 GLN : amide:sc= -0.0384 K(o=-0.038,f=-0.82) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 33:sc= -0.618 USER MOD Single : A 17 HIS :FLIP no HD1:sc= -1.82 F(o=-3.4!,f=-1.8) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 105:sc= 1.12 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -0.0659 X(o=-0.066,f=-0.31) USER MOD Single : A 40 SER OG : rot -140:sc= 0 USER MOD Single : A 44 HIS : no HD1:sc= -0.616 X(o=-0.62,f=-0.33) USER MOD Single : A 46 ASN : amide:sc= -4.25 K(o=-4.2,f=-8.5!) USER MOD Single : A 50 LYS NZ :NH3+ 157:sc= -3.41 (180deg=-4.01!) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 10.278 -14.039 3.858 1.00 0.00 N ATOM 2 CA ARG A 1 9.464 -14.647 2.820 1.00 0.00 C ATOM 3 C ARG A 1 9.683 -16.161 2.793 1.00 0.00 C ATOM 4 O ARG A 1 8.835 -16.907 2.304 1.00 0.00 O ATOM 5 CB ARG A 1 9.799 -14.066 1.445 1.00 0.00 C ATOM 6 CG ARG A 1 8.527 -13.683 0.687 1.00 0.00 C ATOM 7 CD ARG A 1 8.613 -12.248 0.161 1.00 0.00 C ATOM 8 NE ARG A 1 8.275 -12.216 -1.279 1.00 0.00 N ATOM 9 CZ ARG A 1 8.992 -12.825 -2.233 1.00 0.00 C ATOM 10 NH1 ARG A 1 10.092 -13.517 -1.906 1.00 0.00 N ATOM 11 NH2 ARG A 1 8.609 -12.741 -3.515 1.00 0.00 N ATOM 0 H1 ARG A 1 9.964 -13.060 4.016 1.00 0.00 H new ATOM 0 H2 ARG A 1 10.178 -14.581 4.740 1.00 0.00 H new ATOM 0 H3 ARG A 1 11.275 -14.039 3.562 1.00 0.00 H new ATOM 0 HA ARG A 1 8.420 -14.431 3.048 1.00 0.00 H new ATOM 0 HB2 ARG A 1 10.435 -13.188 1.562 1.00 0.00 H new ATOM 0 HB3 ARG A 1 10.366 -14.795 0.866 1.00 0.00 H new ATOM 0 HG2 ARG A 1 8.374 -14.371 -0.145 1.00 0.00 H new ATOM 0 HG3 ARG A 1 7.664 -13.782 1.345 1.00 0.00 H new ATOM 0 HD2 ARG A 1 7.930 -11.606 0.718 1.00 0.00 H new ATOM 0 HD3 ARG A 1 9.618 -11.855 0.316 1.00 0.00 H new ATOM 0 HE ARG A 1 7.444 -11.698 -1.563 1.00 0.00 H new ATOM 0 HH11 ARG A 1 10.384 -13.580 -0.931 1.00 0.00 H new ATOM 0 HH12 ARG A 1 10.638 -13.981 -2.632 1.00 0.00 H new ATOM 0 HH21 ARG A 1 7.772 -12.214 -3.764 1.00 0.00 H new ATOM 0 HH22 ARG A 1 9.155 -13.204 -4.242 1.00 0.00 H new ATOM 22 N ILE A 2 10.825 -16.571 3.325 1.00 0.00 N ATOM 23 CA ILE A 2 11.166 -17.983 3.369 1.00 0.00 C ATOM 24 C ILE A 2 10.341 -18.670 4.459 1.00 0.00 C ATOM 25 O ILE A 2 9.931 -19.819 4.301 1.00 0.00 O ATOM 26 CB ILE A 2 12.676 -18.165 3.534 1.00 0.00 C ATOM 27 CG1 ILE A 2 13.193 -17.381 4.742 1.00 0.00 C ATOM 28 CG2 ILE A 2 13.418 -17.793 2.249 1.00 0.00 C ATOM 29 CD1 ILE A 2 14.564 -17.895 5.184 1.00 0.00 C ATOM 0 H ILE A 2 11.526 -15.950 3.729 1.00 0.00 H new ATOM 0 HA ILE A 2 10.911 -18.465 2.425 1.00 0.00 H new ATOM 0 HB ILE A 2 12.874 -19.220 3.725 1.00 0.00 H new ATOM 0 HG12 ILE A 2 13.261 -16.323 4.491 1.00 0.00 H new ATOM 0 HG13 ILE A 2 12.485 -17.468 5.566 1.00 0.00 H new ATOM 0 HG21 ILE A 2 14.489 -17.932 2.394 1.00 0.00 H new ATOM 0 HG22 ILE A 2 13.077 -18.431 1.434 1.00 0.00 H new ATOM 0 HG23 ILE A 2 13.217 -16.751 2.002 1.00 0.00 H new ATOM 0 HD11 ILE A 2 14.908 -17.320 6.044 1.00 0.00 H new ATOM 0 HD12 ILE A 2 14.487 -18.947 5.458 1.00 0.00 H new ATOM 0 HD13 ILE A 2 15.275 -17.784 4.366 1.00 0.00 H new ATOM 40 N TYR A 3 10.119 -17.936 5.540 1.00 0.00 N ATOM 41 CA TYR A 3 9.350 -18.460 6.655 1.00 0.00 C ATOM 42 C TYR A 3 9.079 -17.370 7.694 1.00 0.00 C ATOM 43 O TYR A 3 7.993 -17.311 8.267 1.00 0.00 O ATOM 44 CB TYR A 3 10.218 -19.549 7.291 1.00 0.00 C ATOM 45 CG TYR A 3 9.714 -20.972 7.037 1.00 0.00 C ATOM 46 CD1 TYR A 3 8.697 -21.493 7.812 1.00 0.00 C ATOM 47 CD2 TYR A 3 10.277 -21.735 6.034 1.00 0.00 C ATOM 48 CE1 TYR A 3 8.224 -22.831 7.574 1.00 0.00 C ATOM 49 CE2 TYR A 3 9.804 -23.073 5.797 1.00 0.00 C ATOM 50 CZ TYR A 3 8.801 -23.556 6.578 1.00 0.00 C ATOM 51 OH TYR A 3 8.354 -24.821 6.353 1.00 0.00 O ATOM 0 H TYR A 3 10.459 -16.983 5.667 1.00 0.00 H new ATOM 0 HA TYR A 3 8.387 -18.839 6.313 1.00 0.00 H new ATOM 0 HB2 TYR A 3 11.234 -19.460 6.907 1.00 0.00 H new ATOM 0 HB3 TYR A 3 10.268 -19.378 8.366 1.00 0.00 H new ATOM 0 HD1 TYR A 3 8.256 -20.896 8.597 1.00 0.00 H new ATOM 0 HD2 TYR A 3 11.072 -21.328 5.427 1.00 0.00 H new ATOM 0 HE1 TYR A 3 7.429 -23.250 8.173 1.00 0.00 H new ATOM 0 HE2 TYR A 3 10.236 -23.681 5.016 1.00 0.00 H new ATOM 0 HH TYR A 3 8.856 -25.218 5.611 1.00 0.00 H new ATOM 60 N LYS A 4 10.086 -16.534 7.905 1.00 0.00 N ATOM 61 CA LYS A 4 9.969 -15.450 8.864 1.00 0.00 C ATOM 62 C LYS A 4 9.666 -14.148 8.122 1.00 0.00 C ATOM 63 O LYS A 4 8.523 -13.898 7.740 1.00 0.00 O ATOM 64 CB LYS A 4 11.217 -15.379 9.747 1.00 0.00 C ATOM 65 CG LYS A 4 11.045 -16.223 11.010 1.00 0.00 C ATOM 66 CD LYS A 4 11.197 -17.713 10.700 1.00 0.00 C ATOM 67 CE LYS A 4 9.930 -18.483 11.074 1.00 0.00 C ATOM 68 NZ LYS A 4 10.191 -19.940 11.079 1.00 0.00 N ATOM 0 H LYS A 4 10.986 -16.586 7.428 1.00 0.00 H new ATOM 0 HA LYS A 4 9.136 -15.631 9.543 1.00 0.00 H new ATOM 0 HB2 LYS A 4 12.084 -15.730 9.186 1.00 0.00 H new ATOM 0 HB3 LYS A 4 11.413 -14.343 10.022 1.00 0.00 H new ATOM 0 HG2 LYS A 4 11.784 -15.926 11.754 1.00 0.00 H new ATOM 0 HG3 LYS A 4 10.063 -16.037 11.445 1.00 0.00 H new ATOM 0 HD2 LYS A 4 11.409 -17.848 9.639 1.00 0.00 H new ATOM 0 HD3 LYS A 4 12.048 -18.117 11.249 1.00 0.00 H new ATOM 0 HE2 LYS A 4 9.582 -18.167 12.057 1.00 0.00 H new ATOM 0 HE3 LYS A 4 9.135 -18.253 10.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 9.294 -20.454 10.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 10.833 -20.180 10.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 10.630 -20.211 11.982 1.00 0.00 H new ATOM 78 N GLY A 5 10.709 -13.352 7.936 1.00 0.00 N ATOM 79 CA GLY A 5 10.568 -12.081 7.245 1.00 0.00 C ATOM 80 C GLY A 5 9.446 -11.243 7.861 1.00 0.00 C ATOM 81 O GLY A 5 8.582 -10.736 7.147 1.00 0.00 O ATOM 0 H GLY A 5 11.656 -13.563 8.252 1.00 0.00 H new ATOM 0 HA2 GLY A 5 11.507 -11.530 7.294 1.00 0.00 H new ATOM 0 HA3 GLY A 5 10.357 -12.258 6.190 1.00 0.00 H new ATOM 85 N VAL A 6 9.494 -11.125 9.180 1.00 0.00 N ATOM 86 CA VAL A 6 8.492 -10.358 9.900 1.00 0.00 C ATOM 87 C VAL A 6 9.003 -10.059 11.311 1.00 0.00 C ATOM 88 O VAL A 6 8.946 -8.917 11.766 1.00 0.00 O ATOM 89 CB VAL A 6 7.157 -11.104 9.893 1.00 0.00 C ATOM 90 CG1 VAL A 6 7.296 -12.483 10.541 1.00 0.00 C ATOM 91 CG2 VAL A 6 6.065 -10.282 10.581 1.00 0.00 C ATOM 0 H VAL A 6 10.212 -11.548 9.769 1.00 0.00 H new ATOM 0 HA VAL A 6 8.316 -9.401 9.408 1.00 0.00 H new ATOM 0 HB VAL A 6 6.861 -11.250 8.854 1.00 0.00 H new ATOM 0 HG11 VAL A 6 6.332 -12.992 10.523 1.00 0.00 H new ATOM 0 HG12 VAL A 6 8.028 -13.072 9.989 1.00 0.00 H new ATOM 0 HG13 VAL A 6 7.626 -12.368 11.573 1.00 0.00 H new ATOM 0 HG21 VAL A 6 5.126 -10.836 10.562 1.00 0.00 H new ATOM 0 HG22 VAL A 6 6.352 -10.089 11.615 1.00 0.00 H new ATOM 0 HG23 VAL A 6 5.938 -9.335 10.057 1.00 0.00 H new ATOM 101 N ILE A 7 9.489 -11.104 11.964 1.00 0.00 N ATOM 102 CA ILE A 7 10.008 -10.968 13.315 1.00 0.00 C ATOM 103 C ILE A 7 11.470 -10.524 13.251 1.00 0.00 C ATOM 104 O ILE A 7 11.980 -9.913 14.190 1.00 0.00 O ATOM 105 CB ILE A 7 9.790 -12.259 14.105 1.00 0.00 C ATOM 106 CG1 ILE A 7 8.323 -12.688 14.064 1.00 0.00 C ATOM 107 CG2 ILE A 7 10.306 -12.118 15.539 1.00 0.00 C ATOM 108 CD1 ILE A 7 8.143 -13.949 13.218 1.00 0.00 C ATOM 0 H ILE A 7 9.535 -12.049 11.583 1.00 0.00 H new ATOM 0 HA ILE A 7 9.463 -10.195 13.858 1.00 0.00 H new ATOM 0 HB ILE A 7 10.369 -13.051 13.630 1.00 0.00 H new ATOM 0 HG12 ILE A 7 7.966 -12.872 15.077 1.00 0.00 H new ATOM 0 HG13 ILE A 7 7.716 -11.881 13.654 1.00 0.00 H new ATOM 0 HG21 ILE A 7 10.139 -13.050 16.079 1.00 0.00 H new ATOM 0 HG22 ILE A 7 11.373 -11.895 15.522 1.00 0.00 H new ATOM 0 HG23 ILE A 7 9.774 -11.308 16.039 1.00 0.00 H new ATOM 0 HD11 ILE A 7 7.090 -14.232 13.206 1.00 0.00 H new ATOM 0 HD12 ILE A 7 8.478 -13.755 12.199 1.00 0.00 H new ATOM 0 HD13 ILE A 7 8.732 -14.761 13.645 1.00 0.00 H new ATOM 119 N GLN A 8 12.106 -10.848 12.134 1.00 0.00 N ATOM 120 CA GLN A 8 13.500 -10.490 11.935 1.00 0.00 C ATOM 121 C GLN A 8 13.658 -8.968 11.905 1.00 0.00 C ATOM 122 O GLN A 8 14.427 -8.404 12.683 1.00 0.00 O ATOM 123 CB GLN A 8 14.053 -11.124 10.658 1.00 0.00 C ATOM 124 CG GLN A 8 15.104 -12.187 10.984 1.00 0.00 C ATOM 125 CD GLN A 8 14.902 -13.439 10.127 1.00 0.00 C ATOM 126 OE1 GLN A 8 13.895 -13.611 9.460 1.00 0.00 O ATOM 127 NE2 GLN A 8 15.914 -14.301 10.182 1.00 0.00 N ATOM 0 H GLN A 8 11.681 -11.355 11.357 1.00 0.00 H new ATOM 0 HA GLN A 8 14.078 -10.879 12.773 1.00 0.00 H new ATOM 0 HB2 GLN A 8 13.239 -11.574 10.090 1.00 0.00 H new ATOM 0 HB3 GLN A 8 14.494 -10.353 10.027 1.00 0.00 H new ATOM 0 HG2 GLN A 8 16.101 -11.782 10.813 1.00 0.00 H new ATOM 0 HG3 GLN A 8 15.044 -12.451 12.040 1.00 0.00 H new ATOM 0 HE21 GLN A 8 16.728 -14.095 10.761 1.00 0.00 H new ATOM 0 HE22 GLN A 8 15.876 -15.167 9.645 1.00 0.00 H new ATOM 134 N ALA A 9 12.920 -8.346 10.998 1.00 0.00 N ATOM 135 CA ALA A 9 12.969 -6.901 10.855 1.00 0.00 C ATOM 136 C ALA A 9 12.542 -6.249 12.171 1.00 0.00 C ATOM 137 O ALA A 9 13.218 -5.353 12.673 1.00 0.00 O ATOM 138 CB ALA A 9 12.088 -6.474 9.679 1.00 0.00 C ATOM 0 H ALA A 9 12.284 -8.817 10.354 1.00 0.00 H new ATOM 0 HA ALA A 9 13.985 -6.570 10.637 1.00 0.00 H new ATOM 0 HB1 ALA A 9 12.125 -5.390 9.572 1.00 0.00 H new ATOM 0 HB2 ALA A 9 12.451 -6.942 8.764 1.00 0.00 H new ATOM 0 HB3 ALA A 9 11.060 -6.786 9.863 1.00 0.00 H new ATOM 144 N ILE A 10 11.420 -6.723 12.693 1.00 0.00 N ATOM 145 CA ILE A 10 10.893 -6.197 13.940 1.00 0.00 C ATOM 146 C ILE A 10 11.965 -6.305 15.027 1.00 0.00 C ATOM 147 O ILE A 10 11.947 -5.553 15.999 1.00 0.00 O ATOM 148 CB ILE A 10 9.578 -6.890 14.303 1.00 0.00 C ATOM 149 CG1 ILE A 10 8.494 -6.585 13.266 1.00 0.00 C ATOM 150 CG2 ILE A 10 9.136 -6.521 15.720 1.00 0.00 C ATOM 151 CD1 ILE A 10 7.250 -7.443 13.505 1.00 0.00 C ATOM 0 H ILE A 10 10.861 -7.466 12.274 1.00 0.00 H new ATOM 0 HA ILE A 10 10.650 -5.140 13.834 1.00 0.00 H new ATOM 0 HB ILE A 10 9.744 -7.967 14.289 1.00 0.00 H new ATOM 0 HG12 ILE A 10 8.227 -5.529 13.314 1.00 0.00 H new ATOM 0 HG13 ILE A 10 8.881 -6.771 12.264 1.00 0.00 H new ATOM 0 HG21 ILE A 10 8.199 -7.027 15.952 1.00 0.00 H new ATOM 0 HG22 ILE A 10 9.901 -6.830 16.432 1.00 0.00 H new ATOM 0 HG23 ILE A 10 8.992 -5.443 15.787 1.00 0.00 H new ATOM 0 HD11 ILE A 10 6.495 -7.207 12.755 1.00 0.00 H new ATOM 0 HD12 ILE A 10 7.516 -8.498 13.433 1.00 0.00 H new ATOM 0 HD13 ILE A 10 6.851 -7.237 14.498 1.00 0.00 H new ATOM 162 N GLN A 11 12.873 -7.249 14.825 1.00 0.00 N ATOM 163 CA GLN A 11 13.951 -7.465 15.775 1.00 0.00 C ATOM 164 C GLN A 11 15.031 -6.396 15.607 1.00 0.00 C ATOM 165 O GLN A 11 15.728 -6.056 16.561 1.00 0.00 O ATOM 166 CB GLN A 11 14.541 -8.869 15.624 1.00 0.00 C ATOM 167 CG GLN A 11 14.113 -9.771 16.784 1.00 0.00 C ATOM 168 CD GLN A 11 15.188 -10.817 17.090 1.00 0.00 C ATOM 169 OE1 GLN A 11 16.048 -11.116 16.278 1.00 0.00 O ATOM 170 NE2 GLN A 11 15.091 -11.354 18.304 1.00 0.00 N ATOM 0 H GLN A 11 12.884 -7.872 14.018 1.00 0.00 H new ATOM 0 HA GLN A 11 13.542 -7.384 16.782 1.00 0.00 H new ATOM 0 HB2 GLN A 11 14.214 -9.305 14.680 1.00 0.00 H new ATOM 0 HB3 GLN A 11 15.629 -8.808 15.588 1.00 0.00 H new ATOM 0 HG2 GLN A 11 13.927 -9.165 17.671 1.00 0.00 H new ATOM 0 HG3 GLN A 11 13.176 -10.269 16.536 1.00 0.00 H new ATOM 0 HE21 GLN A 11 14.346 -11.058 18.935 1.00 0.00 H new ATOM 0 HE22 GLN A 11 15.762 -12.062 18.604 1.00 0.00 H new ATOM 177 N LYS A 12 15.136 -5.894 14.385 1.00 0.00 N ATOM 178 CA LYS A 12 16.120 -4.869 14.078 1.00 0.00 C ATOM 179 C LYS A 12 15.614 -3.517 14.582 1.00 0.00 C ATOM 180 O LYS A 12 16.407 -2.655 14.959 1.00 0.00 O ATOM 181 CB LYS A 12 16.460 -4.883 12.586 1.00 0.00 C ATOM 182 CG LYS A 12 17.504 -5.956 12.272 1.00 0.00 C ATOM 183 CD LYS A 12 17.052 -6.836 11.105 1.00 0.00 C ATOM 184 CE LYS A 12 18.126 -7.864 10.745 1.00 0.00 C ATOM 185 NZ LYS A 12 18.971 -7.364 9.637 1.00 0.00 N ATOM 0 H LYS A 12 14.556 -6.178 13.596 1.00 0.00 H new ATOM 0 HA LYS A 12 17.057 -5.072 14.596 1.00 0.00 H new ATOM 0 HB2 LYS A 12 15.557 -5.069 12.005 1.00 0.00 H new ATOM 0 HB3 LYS A 12 16.837 -3.905 12.286 1.00 0.00 H new ATOM 0 HG2 LYS A 12 18.455 -5.483 12.028 1.00 0.00 H new ATOM 0 HG3 LYS A 12 17.672 -6.574 13.154 1.00 0.00 H new ATOM 0 HD2 LYS A 12 16.127 -7.349 11.369 1.00 0.00 H new ATOM 0 HD3 LYS A 12 16.835 -6.213 10.238 1.00 0.00 H new ATOM 0 HE2 LYS A 12 18.745 -8.072 11.617 1.00 0.00 H new ATOM 0 HE3 LYS A 12 17.656 -8.804 10.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 19.695 -8.074 9.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 18.378 -7.188 8.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 19.434 -6.479 9.926 1.00 0.00 H new ATOM 195 N SER A 13 14.297 -3.371 14.570 1.00 0.00 N ATOM 196 CA SER A 13 13.676 -2.138 15.021 1.00 0.00 C ATOM 197 C SER A 13 13.577 -2.129 16.548 1.00 0.00 C ATOM 198 O SER A 13 13.510 -1.066 17.164 1.00 0.00 O ATOM 199 CB SER A 13 12.291 -1.958 14.398 1.00 0.00 C ATOM 200 OG SER A 13 11.576 -3.188 14.321 1.00 0.00 O ATOM 0 H SER A 13 13.643 -4.087 14.255 1.00 0.00 H new ATOM 0 HA SER A 13 14.300 -1.304 14.699 1.00 0.00 H new ATOM 0 HB2 SER A 13 11.718 -1.242 14.988 1.00 0.00 H new ATOM 0 HB3 SER A 13 12.395 -1.536 13.398 1.00 0.00 H new ATOM 0 HG SER A 13 11.819 -3.756 15.082 1.00 0.00 H new ATOM 205 N ASP A 14 13.570 -3.326 17.115 1.00 0.00 N ATOM 206 CA ASP A 14 13.478 -3.470 18.558 1.00 0.00 C ATOM 207 C ASP A 14 14.869 -3.290 19.172 1.00 0.00 C ATOM 208 O ASP A 14 14.992 -2.898 20.332 1.00 0.00 O ATOM 209 CB ASP A 14 12.969 -4.861 18.942 1.00 0.00 C ATOM 210 CG ASP A 14 11.680 -4.873 19.766 1.00 0.00 C ATOM 211 OD1 ASP A 14 11.656 -4.159 20.792 1.00 0.00 O ATOM 212 OD2 ASP A 14 10.748 -5.595 19.352 1.00 0.00 O ATOM 0 H ASP A 14 13.627 -4.205 16.601 1.00 0.00 H new ATOM 0 HA ASP A 14 12.783 -2.717 18.929 1.00 0.00 H new ATOM 0 HB2 ASP A 14 12.805 -5.436 18.031 1.00 0.00 H new ATOM 0 HB3 ASP A 14 13.748 -5.373 19.506 1.00 0.00 H new ATOM 216 N GLU A 15 15.879 -3.584 18.368 1.00 0.00 N ATOM 217 CA GLU A 15 17.255 -3.459 18.818 1.00 0.00 C ATOM 218 C GLU A 15 17.862 -2.149 18.312 1.00 0.00 C ATOM 219 O GLU A 15 18.799 -1.624 18.911 1.00 0.00 O ATOM 220 CB GLU A 15 18.090 -4.661 18.369 1.00 0.00 C ATOM 221 CG GLU A 15 17.599 -5.948 19.034 1.00 0.00 C ATOM 222 CD GLU A 15 18.713 -6.600 19.857 1.00 0.00 C ATOM 223 OE1 GLU A 15 19.510 -7.344 19.244 1.00 0.00 O ATOM 224 OE2 GLU A 15 18.744 -6.337 21.078 1.00 0.00 O ATOM 0 H GLU A 15 15.772 -3.909 17.407 1.00 0.00 H new ATOM 0 HA GLU A 15 17.261 -3.442 19.908 1.00 0.00 H new ATOM 0 HB2 GLU A 15 18.034 -4.763 17.285 1.00 0.00 H new ATOM 0 HB3 GLU A 15 19.138 -4.495 18.620 1.00 0.00 H new ATOM 0 HG2 GLU A 15 16.748 -5.727 19.678 1.00 0.00 H new ATOM 0 HG3 GLU A 15 17.250 -6.645 18.272 1.00 0.00 H new ATOM 229 N GLY A 16 17.304 -1.661 17.214 1.00 0.00 N ATOM 230 CA GLY A 16 17.778 -0.423 16.621 1.00 0.00 C ATOM 231 C GLY A 16 17.763 0.717 17.642 1.00 0.00 C ATOM 232 O GLY A 16 18.732 1.465 17.758 1.00 0.00 O ATOM 0 H GLY A 16 16.528 -2.101 16.720 1.00 0.00 H new ATOM 0 HA2 GLY A 16 18.790 -0.562 16.241 1.00 0.00 H new ATOM 0 HA3 GLY A 16 17.151 -0.161 15.769 1.00 0.00 H new ATOM 236 N HIS A 17 16.652 0.811 18.358 1.00 0.00 N ATOM 237 CA HIS A 17 16.497 1.847 19.366 1.00 0.00 C ATOM 238 C HIS A 17 15.426 1.425 20.373 1.00 0.00 C ATOM 239 O HIS A 17 14.553 0.618 20.056 1.00 0.00 O ATOM 240 CB HIS A 17 16.200 3.198 18.715 1.00 0.00 C ATOM 241 CG HIS A 17 17.431 4.022 18.420 1.00 0.00 C ATOM 242 ND1 HIS A 17 18.738 3.822 18.753 1.00 0.00 N flip ATOM 243 CD2 HIS A 17 17.388 5.204 17.701 1.00 0.00 C flip ATOM 244 CE1 HIS A 17 19.455 4.826 18.264 1.00 0.00 C flip ATOM 245 NE2 HIS A 17 18.620 5.684 17.612 1.00 0.00 N flip ATOM 0 H HIS A 17 15.851 0.187 18.260 1.00 0.00 H new ATOM 0 HA HIS A 17 17.432 1.971 19.913 1.00 0.00 H new ATOM 0 HB2 HIS A 17 15.656 3.030 17.785 1.00 0.00 H new ATOM 0 HB3 HIS A 17 15.542 3.769 19.370 1.00 0.00 H new ATOM 0 HD2 HIS A 17 16.501 5.658 17.284 1.00 0.00 H new ATOM 0 HE1 HIS A 17 20.524 4.944 18.366 1.00 0.00 H new ATOM 0 HE2 HIS A 17 18.895 6.545 17.139 1.00 0.00 H new ATOM 253 N PRO A 18 15.531 2.006 21.599 1.00 0.00 N ATOM 254 CA PRO A 18 14.581 1.699 22.656 1.00 0.00 C ATOM 255 C PRO A 18 13.239 2.390 22.404 1.00 0.00 C ATOM 256 O PRO A 18 12.239 1.730 22.123 1.00 0.00 O ATOM 257 CB PRO A 18 15.256 2.160 23.937 1.00 0.00 C ATOM 258 CG PRO A 18 16.348 3.125 23.508 1.00 0.00 C ATOM 259 CD PRO A 18 16.551 2.965 22.010 1.00 0.00 C ATOM 0 HA PRO A 18 14.339 0.638 22.709 1.00 0.00 H new ATOM 0 HB2 PRO A 18 14.542 2.648 24.601 1.00 0.00 H new ATOM 0 HB3 PRO A 18 15.674 1.315 24.484 1.00 0.00 H new ATOM 0 HG2 PRO A 18 16.067 4.150 23.747 1.00 0.00 H new ATOM 0 HG3 PRO A 18 17.274 2.915 24.043 1.00 0.00 H new ATOM 0 HD2 PRO A 18 16.433 3.916 21.490 1.00 0.00 H new ATOM 0 HD3 PRO A 18 17.553 2.600 21.783 1.00 0.00 H new ATOM 264 N PHE A 19 13.259 3.710 22.515 1.00 0.00 N ATOM 265 CA PHE A 19 12.057 4.498 22.303 1.00 0.00 C ATOM 266 C PHE A 19 11.292 4.011 21.070 1.00 0.00 C ATOM 267 O PHE A 19 10.079 4.189 20.978 1.00 0.00 O ATOM 268 CB PHE A 19 12.504 5.943 22.073 1.00 0.00 C ATOM 269 CG PHE A 19 12.055 6.914 23.167 1.00 0.00 C ATOM 270 CD1 PHE A 19 10.732 7.162 23.356 1.00 0.00 C ATOM 271 CD2 PHE A 19 12.981 7.530 23.951 1.00 0.00 C ATOM 272 CE1 PHE A 19 10.315 8.063 24.371 1.00 0.00 C ATOM 273 CE2 PHE A 19 12.565 8.431 24.966 1.00 0.00 C ATOM 274 CZ PHE A 19 11.241 8.679 25.155 1.00 0.00 C ATOM 0 H PHE A 19 14.089 4.254 22.749 1.00 0.00 H new ATOM 0 HA PHE A 19 11.397 4.409 23.166 1.00 0.00 H new ATOM 0 HB2 PHE A 19 13.591 5.969 22.002 1.00 0.00 H new ATOM 0 HB3 PHE A 19 12.113 6.285 21.115 1.00 0.00 H new ATOM 0 HD1 PHE A 19 9.997 6.673 22.733 1.00 0.00 H new ATOM 0 HD2 PHE A 19 14.032 7.333 23.801 1.00 0.00 H new ATOM 0 HE1 PHE A 19 9.264 8.259 24.521 1.00 0.00 H new ATOM 0 HE2 PHE A 19 13.300 8.920 25.588 1.00 0.00 H new ATOM 0 HZ PHE A 19 10.925 9.365 25.927 1.00 0.00 H new ATOM 283 N ARG A 20 12.034 3.405 20.154 1.00 0.00 N ATOM 284 CA ARG A 20 11.441 2.891 18.931 1.00 0.00 C ATOM 285 C ARG A 20 10.300 1.927 19.259 1.00 0.00 C ATOM 286 O ARG A 20 9.205 2.047 18.712 1.00 0.00 O ATOM 287 CB ARG A 20 12.483 2.166 18.077 1.00 0.00 C ATOM 288 CG ARG A 20 12.076 2.163 16.602 1.00 0.00 C ATOM 289 CD ARG A 20 12.351 3.522 15.954 1.00 0.00 C ATOM 290 NE ARG A 20 11.440 3.729 14.805 1.00 0.00 N ATOM 291 CZ ARG A 20 11.658 3.239 13.577 1.00 0.00 C ATOM 292 NH1 ARG A 20 12.755 2.512 13.330 1.00 0.00 N ATOM 293 NH2 ARG A 20 10.777 3.477 12.596 1.00 0.00 N ATOM 0 H ARG A 20 13.040 3.259 20.234 1.00 0.00 H new ATOM 0 HA ARG A 20 11.053 3.740 18.368 1.00 0.00 H new ATOM 0 HB2 ARG A 20 13.452 2.651 18.190 1.00 0.00 H new ATOM 0 HB3 ARG A 20 12.597 1.141 18.429 1.00 0.00 H new ATOM 0 HG2 ARG A 20 12.625 1.385 16.071 1.00 0.00 H new ATOM 0 HG3 ARG A 20 11.017 1.922 16.514 1.00 0.00 H new ATOM 0 HD2 ARG A 20 12.213 4.318 16.686 1.00 0.00 H new ATOM 0 HD3 ARG A 20 13.388 3.572 15.620 1.00 0.00 H new ATOM 0 HE ARG A 20 10.594 4.278 14.958 1.00 0.00 H new ATOM 0 HH11 ARG A 20 13.426 2.331 14.077 1.00 0.00 H new ATOM 0 HH12 ARG A 20 12.920 2.139 12.395 1.00 0.00 H new ATOM 0 HH21 ARG A 20 9.941 4.031 12.784 1.00 0.00 H new ATOM 0 HH22 ARG A 20 10.942 3.104 11.661 1.00 0.00 H new ATOM 304 N ALA A 21 10.596 0.992 20.151 1.00 0.00 N ATOM 305 CA ALA A 21 9.608 0.007 20.558 1.00 0.00 C ATOM 306 C ALA A 21 8.299 0.719 20.908 1.00 0.00 C ATOM 307 O ALA A 21 7.253 0.417 20.335 1.00 0.00 O ATOM 308 CB ALA A 21 10.156 -0.812 21.728 1.00 0.00 C ATOM 0 H ALA A 21 11.505 0.896 20.603 1.00 0.00 H new ATOM 0 HA ALA A 21 9.399 -0.687 19.743 1.00 0.00 H new ATOM 0 HB1 ALA A 21 9.415 -1.551 22.033 1.00 0.00 H new ATOM 0 HB2 ALA A 21 11.070 -1.320 21.420 1.00 0.00 H new ATOM 0 HB3 ALA A 21 10.374 -0.149 22.565 1.00 0.00 H new ATOM 314 N TYR A 22 8.401 1.649 21.845 1.00 0.00 N ATOM 315 CA TYR A 22 7.238 2.405 22.278 1.00 0.00 C ATOM 316 C TYR A 22 6.344 2.765 21.089 1.00 0.00 C ATOM 317 O TYR A 22 5.134 2.919 21.243 1.00 0.00 O ATOM 318 CB TYR A 22 7.780 3.693 22.901 1.00 0.00 C ATOM 319 CG TYR A 22 7.474 3.840 24.393 1.00 0.00 C ATOM 320 CD1 TYR A 22 7.765 2.808 25.262 1.00 0.00 C ATOM 321 CD2 TYR A 22 6.907 5.004 24.869 1.00 0.00 C ATOM 322 CE1 TYR A 22 7.476 2.946 26.666 1.00 0.00 C ATOM 323 CE2 TYR A 22 6.619 5.143 26.273 1.00 0.00 C ATOM 324 CZ TYR A 22 6.917 4.106 27.103 1.00 0.00 C ATOM 325 OH TYR A 22 6.646 4.237 28.428 1.00 0.00 O ATOM 0 H TYR A 22 9.271 1.897 22.317 1.00 0.00 H new ATOM 0 HA TYR A 22 6.640 1.821 22.978 1.00 0.00 H new ATOM 0 HB2 TYR A 22 8.860 3.727 22.757 1.00 0.00 H new ATOM 0 HB3 TYR A 22 7.360 4.546 22.369 1.00 0.00 H new ATOM 0 HD1 TYR A 22 8.209 1.897 24.889 1.00 0.00 H new ATOM 0 HD2 TYR A 22 6.679 5.811 24.189 1.00 0.00 H new ATOM 0 HE1 TYR A 22 7.698 2.146 27.357 1.00 0.00 H new ATOM 0 HE2 TYR A 22 6.177 6.050 26.659 1.00 0.00 H new ATOM 0 HH TYR A 22 6.250 5.118 28.595 1.00 0.00 H new ATOM 334 N LEU A 23 6.977 2.888 19.932 1.00 0.00 N ATOM 335 CA LEU A 23 6.254 3.228 18.717 1.00 0.00 C ATOM 336 C LEU A 23 5.576 1.972 18.164 1.00 0.00 C ATOM 337 O LEU A 23 4.383 1.986 17.866 1.00 0.00 O ATOM 338 CB LEU A 23 7.182 3.916 17.716 1.00 0.00 C ATOM 339 CG LEU A 23 6.707 5.268 17.180 1.00 0.00 C ATOM 340 CD1 LEU A 23 7.848 6.016 16.488 1.00 0.00 C ATOM 341 CD2 LEU A 23 5.494 5.099 16.263 1.00 0.00 C ATOM 0 H LEU A 23 7.981 2.759 19.809 1.00 0.00 H new ATOM 0 HA LEU A 23 5.465 3.949 18.932 1.00 0.00 H new ATOM 0 HB2 LEU A 23 8.154 4.056 18.189 1.00 0.00 H new ATOM 0 HB3 LEU A 23 7.333 3.245 16.870 1.00 0.00 H new ATOM 0 HG LEU A 23 6.389 5.877 18.026 1.00 0.00 H new ATOM 0 HD11 LEU A 23 7.483 6.973 16.116 1.00 0.00 H new ATOM 0 HD12 LEU A 23 8.655 6.187 17.200 1.00 0.00 H new ATOM 0 HD13 LEU A 23 8.220 5.421 15.654 1.00 0.00 H new ATOM 0 HD21 LEU A 23 5.177 6.075 15.896 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.762 4.463 15.419 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.678 4.638 16.820 1.00 0.00 H new ATOM 352 N GLU A 24 6.367 0.915 18.045 1.00 0.00 N ATOM 353 CA GLU A 24 5.859 -0.347 17.534 1.00 0.00 C ATOM 354 C GLU A 24 4.869 -0.961 18.527 1.00 0.00 C ATOM 355 O GLU A 24 3.973 -1.706 18.134 1.00 0.00 O ATOM 356 CB GLU A 24 7.003 -1.316 17.230 1.00 0.00 C ATOM 357 CG GLU A 24 6.532 -2.768 17.324 1.00 0.00 C ATOM 358 CD GLU A 24 7.663 -3.736 16.972 1.00 0.00 C ATOM 359 OE1 GLU A 24 8.164 -3.632 15.832 1.00 0.00 O ATOM 360 OE2 GLU A 24 8.001 -4.557 17.852 1.00 0.00 O ATOM 0 H GLU A 24 7.356 0.907 18.294 1.00 0.00 H new ATOM 0 HA GLU A 24 5.333 -0.153 16.599 1.00 0.00 H new ATOM 0 HB2 GLU A 24 7.394 -1.121 16.231 1.00 0.00 H new ATOM 0 HB3 GLU A 24 7.821 -1.149 17.931 1.00 0.00 H new ATOM 0 HG2 GLU A 24 6.174 -2.973 18.333 1.00 0.00 H new ATOM 0 HG3 GLU A 24 5.691 -2.925 16.649 1.00 0.00 H new ATOM 365 N SER A 25 5.066 -0.626 19.793 1.00 0.00 N ATOM 366 CA SER A 25 4.202 -1.136 20.844 1.00 0.00 C ATOM 367 C SER A 25 2.770 -0.646 20.629 1.00 0.00 C ATOM 368 O SER A 25 1.842 -1.449 20.538 1.00 0.00 O ATOM 369 CB SER A 25 4.706 -0.712 22.226 1.00 0.00 C ATOM 370 OG SER A 25 4.246 -1.585 23.254 1.00 0.00 O ATOM 0 H SER A 25 5.811 -0.008 20.115 1.00 0.00 H new ATOM 0 HA SER A 25 4.217 -2.225 20.800 1.00 0.00 H new ATOM 0 HB2 SER A 25 5.796 -0.696 22.225 1.00 0.00 H new ATOM 0 HB3 SER A 25 4.373 0.304 22.437 1.00 0.00 H new ATOM 0 HG SER A 25 4.591 -1.281 24.120 1.00 0.00 H new ATOM 375 N GLU A 26 2.634 0.670 20.552 1.00 0.00 N ATOM 376 CA GLU A 26 1.329 1.277 20.349 1.00 0.00 C ATOM 377 C GLU A 26 0.643 0.663 19.127 1.00 0.00 C ATOM 378 O GLU A 26 -0.580 0.711 19.007 1.00 0.00 O ATOM 379 CB GLU A 26 1.447 2.795 20.207 1.00 0.00 C ATOM 380 CG GLU A 26 0.839 3.508 21.417 1.00 0.00 C ATOM 381 CD GLU A 26 1.419 4.915 21.573 1.00 0.00 C ATOM 382 OE1 GLU A 26 1.228 5.715 20.632 1.00 0.00 O ATOM 383 OE2 GLU A 26 2.042 5.158 22.630 1.00 0.00 O ATOM 0 H GLU A 26 3.406 1.333 20.627 1.00 0.00 H new ATOM 0 HA GLU A 26 0.715 1.074 21.226 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.496 3.074 20.105 1.00 0.00 H new ATOM 0 HB3 GLU A 26 0.941 3.119 19.297 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -0.243 3.568 21.302 1.00 0.00 H new ATOM 0 HG3 GLU A 26 1.033 2.929 22.320 1.00 0.00 H new ATOM 388 N VAL A 27 1.461 0.101 18.249 1.00 0.00 N ATOM 389 CA VAL A 27 0.949 -0.521 17.040 1.00 0.00 C ATOM 390 C VAL A 27 0.453 -1.931 17.368 1.00 0.00 C ATOM 391 O VAL A 27 -0.688 -2.277 17.064 1.00 0.00 O ATOM 392 CB VAL A 27 2.021 -0.504 15.949 1.00 0.00 C ATOM 393 CG1 VAL A 27 1.553 -1.269 14.709 1.00 0.00 C ATOM 394 CG2 VAL A 27 2.417 0.930 15.591 1.00 0.00 C ATOM 0 H VAL A 27 2.475 0.064 18.351 1.00 0.00 H new ATOM 0 HA VAL A 27 0.099 0.041 16.652 1.00 0.00 H new ATOM 0 HB VAL A 27 2.905 -1.008 16.340 1.00 0.00 H new ATOM 0 HG11 VAL A 27 2.333 -1.242 13.949 1.00 0.00 H new ATOM 0 HG12 VAL A 27 1.344 -2.305 14.978 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.647 -0.806 14.316 1.00 0.00 H new ATOM 0 HG21 VAL A 27 3.180 0.913 14.813 1.00 0.00 H new ATOM 0 HG22 VAL A 27 1.542 1.470 15.229 1.00 0.00 H new ATOM 0 HG23 VAL A 27 2.811 1.430 16.476 1.00 0.00 H new ATOM 404 N ALA A 28 1.333 -2.706 17.984 1.00 0.00 N ATOM 405 CA ALA A 28 0.999 -4.070 18.355 1.00 0.00 C ATOM 406 C ALA A 28 -0.113 -4.050 19.407 1.00 0.00 C ATOM 407 O ALA A 28 -0.952 -4.947 19.447 1.00 0.00 O ATOM 408 CB ALA A 28 2.256 -4.788 18.850 1.00 0.00 C ATOM 0 H ALA A 28 2.278 -2.415 18.236 1.00 0.00 H new ATOM 0 HA ALA A 28 0.627 -4.622 17.492 1.00 0.00 H new ATOM 0 HB1 ALA A 28 2.005 -5.811 19.128 1.00 0.00 H new ATOM 0 HB2 ALA A 28 3.004 -4.801 18.057 1.00 0.00 H new ATOM 0 HB3 ALA A 28 2.656 -4.264 19.718 1.00 0.00 H new ATOM 414 N ILE A 29 -0.082 -3.014 20.234 1.00 0.00 N ATOM 415 CA ILE A 29 -1.077 -2.864 21.282 1.00 0.00 C ATOM 416 C ILE A 29 -2.437 -2.561 20.651 1.00 0.00 C ATOM 417 O ILE A 29 -3.475 -2.937 21.193 1.00 0.00 O ATOM 418 CB ILE A 29 -0.626 -1.815 22.302 1.00 0.00 C ATOM 419 CG1 ILE A 29 -0.929 -2.274 23.730 1.00 0.00 C ATOM 420 CG2 ILE A 29 -1.244 -0.450 21.994 1.00 0.00 C ATOM 421 CD1 ILE A 29 -2.352 -1.887 24.139 1.00 0.00 C ATOM 0 H ILE A 29 0.616 -2.271 20.199 1.00 0.00 H new ATOM 0 HA ILE A 29 -1.185 -3.794 21.840 1.00 0.00 H new ATOM 0 HB ILE A 29 0.455 -1.703 22.223 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -0.807 -3.355 23.802 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -0.214 -1.826 24.420 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -0.908 0.277 22.733 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -0.935 -0.126 21.000 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -2.331 -0.526 22.029 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -2.542 -2.225 25.158 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -2.463 -0.804 24.089 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -3.066 -2.357 23.462 1.00 0.00 H new ATOM 432 N SER A 30 -2.388 -1.886 19.512 1.00 0.00 N ATOM 433 CA SER A 30 -3.604 -1.530 18.800 1.00 0.00 C ATOM 434 C SER A 30 -4.271 -2.787 18.242 1.00 0.00 C ATOM 435 O SER A 30 -5.497 -2.872 18.188 1.00 0.00 O ATOM 436 CB SER A 30 -3.311 -0.538 17.672 1.00 0.00 C ATOM 437 OG SER A 30 -2.896 0.730 18.170 1.00 0.00 O ATOM 0 H SER A 30 -1.525 -1.576 19.064 1.00 0.00 H new ATOM 0 HA SER A 30 -4.284 -1.049 19.503 1.00 0.00 H new ATOM 0 HB2 SER A 30 -2.534 -0.945 17.024 1.00 0.00 H new ATOM 0 HB3 SER A 30 -4.204 -0.412 17.059 1.00 0.00 H new ATOM 0 HG SER A 30 -1.929 0.831 18.043 1.00 0.00 H new ATOM 442 N GLU A 31 -3.435 -3.735 17.842 1.00 0.00 N ATOM 443 CA GLU A 31 -3.929 -4.985 17.289 1.00 0.00 C ATOM 444 C GLU A 31 -4.943 -5.622 18.243 1.00 0.00 C ATOM 445 O GLU A 31 -5.792 -6.404 17.819 1.00 0.00 O ATOM 446 CB GLU A 31 -2.777 -5.946 16.992 1.00 0.00 C ATOM 447 CG GLU A 31 -3.304 -7.325 16.590 1.00 0.00 C ATOM 448 CD GLU A 31 -4.016 -7.266 15.236 1.00 0.00 C ATOM 449 OE1 GLU A 31 -3.301 -7.346 14.214 1.00 0.00 O ATOM 450 OE2 GLU A 31 -5.260 -7.141 15.255 1.00 0.00 O ATOM 0 H GLU A 31 -2.419 -3.662 17.890 1.00 0.00 H new ATOM 0 HA GLU A 31 -4.431 -4.770 16.346 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -2.158 -5.541 16.191 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -2.140 -6.038 17.871 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -2.477 -8.034 16.540 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -3.992 -7.691 17.351 1.00 0.00 H new ATOM 455 N GLU A 32 -4.820 -5.262 19.512 1.00 0.00 N ATOM 456 CA GLU A 32 -5.716 -5.790 20.528 1.00 0.00 C ATOM 457 C GLU A 32 -7.038 -5.019 20.523 1.00 0.00 C ATOM 458 O GLU A 32 -8.065 -5.540 20.953 1.00 0.00 O ATOM 459 CB GLU A 32 -5.062 -5.747 21.911 1.00 0.00 C ATOM 460 CG GLU A 32 -5.348 -4.416 22.611 1.00 0.00 C ATOM 461 CD GLU A 32 -4.236 -4.069 23.603 1.00 0.00 C ATOM 462 OE1 GLU A 32 -3.060 -4.277 23.233 1.00 0.00 O ATOM 463 OE2 GLU A 32 -4.587 -3.605 24.709 1.00 0.00 O ATOM 0 H GLU A 32 -4.115 -4.612 19.860 1.00 0.00 H new ATOM 0 HA GLU A 32 -5.926 -6.834 20.293 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -5.436 -6.570 22.520 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -3.985 -5.887 21.813 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -5.439 -3.623 21.869 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -6.302 -4.474 23.134 1.00 0.00 H new ATOM 468 N LEU A 33 -6.968 -3.791 20.029 1.00 0.00 N ATOM 469 CA LEU A 33 -8.146 -2.944 19.962 1.00 0.00 C ATOM 470 C LEU A 33 -9.109 -3.499 18.910 1.00 0.00 C ATOM 471 O LEU A 33 -10.299 -3.658 19.175 1.00 0.00 O ATOM 472 CB LEU A 33 -7.745 -1.487 19.721 1.00 0.00 C ATOM 473 CG LEU A 33 -7.655 -0.601 20.967 1.00 0.00 C ATOM 474 CD1 LEU A 33 -6.501 0.395 20.848 1.00 0.00 C ATOM 475 CD2 LEU A 33 -8.989 0.096 21.240 1.00 0.00 C ATOM 0 H LEU A 33 -6.114 -3.363 19.672 1.00 0.00 H new ATOM 0 HA LEU A 33 -8.675 -2.952 20.915 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -6.777 -1.475 19.220 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -8.465 -1.042 19.034 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.443 -1.238 21.826 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -6.459 1.012 21.746 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.562 -0.147 20.736 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.658 1.031 19.977 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -8.899 0.719 22.130 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -9.255 0.719 20.386 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -9.765 -0.653 21.399 1.00 0.00 H new ATOM 486 N VAL A 34 -8.557 -3.778 17.738 1.00 0.00 N ATOM 487 CA VAL A 34 -9.352 -4.311 16.645 1.00 0.00 C ATOM 488 C VAL A 34 -9.922 -5.672 17.052 1.00 0.00 C ATOM 489 O VAL A 34 -10.881 -6.151 16.450 1.00 0.00 O ATOM 490 CB VAL A 34 -8.511 -4.373 15.369 1.00 0.00 C ATOM 491 CG1 VAL A 34 -7.459 -5.482 15.458 1.00 0.00 C ATOM 492 CG2 VAL A 34 -9.398 -4.557 14.135 1.00 0.00 C ATOM 0 H VAL A 34 -7.569 -3.645 17.522 1.00 0.00 H new ATOM 0 HA VAL A 34 -10.196 -3.655 16.431 1.00 0.00 H new ATOM 0 HB VAL A 34 -7.988 -3.422 15.267 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -6.875 -5.504 14.538 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -6.798 -5.289 16.303 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -7.954 -6.443 15.597 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -8.775 -4.598 13.242 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -9.961 -5.486 14.227 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -10.090 -3.719 14.056 1.00 0.00 H new ATOM 502 N GLN A 35 -9.308 -6.254 18.071 1.00 0.00 N ATOM 503 CA GLN A 35 -9.743 -7.549 18.565 1.00 0.00 C ATOM 504 C GLN A 35 -10.908 -7.381 19.542 1.00 0.00 C ATOM 505 O GLN A 35 -11.645 -8.331 19.804 1.00 0.00 O ATOM 506 CB GLN A 35 -8.584 -8.304 19.219 1.00 0.00 C ATOM 507 CG GLN A 35 -8.547 -9.762 18.754 1.00 0.00 C ATOM 508 CD GLN A 35 -8.020 -10.677 19.862 1.00 0.00 C ATOM 509 OE1 GLN A 35 -6.850 -11.021 19.914 1.00 0.00 O ATOM 510 NE2 GLN A 35 -8.944 -11.051 20.741 1.00 0.00 N ATOM 0 H GLN A 35 -8.513 -5.853 18.568 1.00 0.00 H new ATOM 0 HA GLN A 35 -10.088 -8.142 17.718 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -7.641 -7.816 18.971 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -8.687 -8.267 20.303 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -9.548 -10.079 18.460 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -7.913 -9.850 17.872 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -9.906 -10.727 20.639 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -8.691 -11.662 21.518 1.00 0.00 H new ATOM 517 N LYS A 36 -11.039 -6.166 20.054 1.00 0.00 N ATOM 518 CA LYS A 36 -12.102 -5.861 20.996 1.00 0.00 C ATOM 519 C LYS A 36 -13.404 -5.622 20.230 1.00 0.00 C ATOM 520 O LYS A 36 -14.492 -5.806 20.774 1.00 0.00 O ATOM 521 CB LYS A 36 -11.698 -4.695 21.900 1.00 0.00 C ATOM 522 CG LYS A 36 -12.139 -4.942 23.344 1.00 0.00 C ATOM 523 CD LYS A 36 -11.089 -5.753 24.107 1.00 0.00 C ATOM 524 CE LYS A 36 -11.713 -6.463 25.311 1.00 0.00 C ATOM 525 NZ LYS A 36 -11.494 -5.677 26.546 1.00 0.00 N ATOM 0 H LYS A 36 -10.426 -5.381 19.834 1.00 0.00 H new ATOM 0 HA LYS A 36 -12.274 -6.706 21.662 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -10.617 -4.560 21.864 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -12.147 -3.772 21.532 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -12.303 -3.989 23.846 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -13.090 -5.474 23.352 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -10.637 -6.488 23.441 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -10.289 -5.094 24.444 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -12.781 -6.602 25.146 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -11.276 -7.455 25.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -11.923 -6.172 27.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -10.473 -5.566 26.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -11.932 -4.739 26.443 1.00 0.00 H new ATOM 535 N TYR A 37 -13.251 -5.217 18.977 1.00 0.00 N ATOM 536 CA TYR A 37 -14.401 -4.952 18.131 1.00 0.00 C ATOM 537 C TYR A 37 -15.322 -6.173 18.057 1.00 0.00 C ATOM 538 O TYR A 37 -16.511 -6.041 17.772 1.00 0.00 O ATOM 539 CB TYR A 37 -13.841 -4.667 16.736 1.00 0.00 C ATOM 540 CG TYR A 37 -14.443 -5.540 15.632 1.00 0.00 C ATOM 541 CD1 TYR A 37 -15.800 -5.498 15.384 1.00 0.00 C ATOM 542 CD2 TYR A 37 -13.629 -6.366 14.886 1.00 0.00 C ATOM 543 CE1 TYR A 37 -16.367 -6.319 14.346 1.00 0.00 C ATOM 544 CE2 TYR A 37 -14.196 -7.187 13.848 1.00 0.00 C ATOM 545 CZ TYR A 37 -15.537 -7.124 13.629 1.00 0.00 C ATOM 546 OH TYR A 37 -16.071 -7.900 12.648 1.00 0.00 O ATOM 0 H TYR A 37 -12.348 -5.066 18.528 1.00 0.00 H new ATOM 0 HA TYR A 37 -14.984 -4.120 18.527 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -14.017 -3.619 16.493 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -12.761 -4.814 16.752 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -16.436 -4.850 15.968 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -12.567 -6.397 15.080 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -17.427 -6.296 14.141 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -13.570 -7.839 13.256 1.00 0.00 H new ATOM 0 HH TYR A 37 -15.360 -8.421 12.220 1.00 0.00 H new ATOM 555 N SER A 38 -14.735 -7.332 18.319 1.00 0.00 N ATOM 556 CA SER A 38 -15.488 -8.574 18.287 1.00 0.00 C ATOM 557 C SER A 38 -16.293 -8.732 19.578 1.00 0.00 C ATOM 558 O SER A 38 -17.453 -9.142 19.544 1.00 0.00 O ATOM 559 CB SER A 38 -14.560 -9.775 18.090 1.00 0.00 C ATOM 560 OG SER A 38 -14.809 -10.445 16.856 1.00 0.00 O ATOM 0 H SER A 38 -13.748 -7.437 18.554 1.00 0.00 H new ATOM 0 HA SER A 38 -16.174 -8.536 17.441 1.00 0.00 H new ATOM 0 HB2 SER A 38 -13.523 -9.440 18.118 1.00 0.00 H new ATOM 0 HB3 SER A 38 -14.692 -10.474 18.916 1.00 0.00 H new ATOM 0 HG SER A 38 -14.196 -11.204 16.766 1.00 0.00 H new ATOM 565 N ASN A 39 -15.647 -8.400 20.686 1.00 0.00 N ATOM 566 CA ASN A 39 -16.288 -8.500 21.985 1.00 0.00 C ATOM 567 C ASN A 39 -17.123 -7.242 22.235 1.00 0.00 C ATOM 568 O ASN A 39 -18.325 -7.328 22.482 1.00 0.00 O ATOM 569 CB ASN A 39 -15.252 -8.610 23.105 1.00 0.00 C ATOM 570 CG ASN A 39 -15.582 -9.769 24.047 1.00 0.00 C ATOM 571 OD1 ASN A 39 -15.932 -10.861 23.630 1.00 0.00 O ATOM 572 ND2 ASN A 39 -15.454 -9.471 25.337 1.00 0.00 N ATOM 0 H ASN A 39 -14.685 -8.061 20.710 1.00 0.00 H new ATOM 0 HA ASN A 39 -16.913 -9.393 21.984 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -14.261 -8.757 22.675 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -15.220 -7.677 23.668 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -15.653 -10.177 26.046 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -15.157 -8.537 25.617 1.00 0.00 H new ATOM 578 N SER A 40 -16.452 -6.101 22.164 1.00 0.00 N ATOM 579 CA SER A 40 -17.116 -4.828 22.380 1.00 0.00 C ATOM 580 C SER A 40 -18.435 -4.787 21.606 1.00 0.00 C ATOM 581 O SER A 40 -19.365 -4.083 21.995 1.00 0.00 O ATOM 582 CB SER A 40 -16.219 -3.661 21.960 1.00 0.00 C ATOM 583 OG SER A 40 -16.630 -2.432 22.553 1.00 0.00 O ATOM 0 H SER A 40 -15.455 -6.033 21.960 1.00 0.00 H new ATOM 0 HA SER A 40 -17.324 -4.728 23.445 1.00 0.00 H new ATOM 0 HB2 SER A 40 -15.189 -3.875 22.245 1.00 0.00 H new ATOM 0 HB3 SER A 40 -16.236 -3.563 20.875 1.00 0.00 H new ATOM 0 HG SER A 40 -16.548 -1.709 21.897 1.00 0.00 H new ATOM 588 N ALA A 41 -18.473 -5.552 20.524 1.00 0.00 N ATOM 589 CA ALA A 41 -19.663 -5.612 19.692 1.00 0.00 C ATOM 590 C ALA A 41 -20.890 -5.825 20.580 1.00 0.00 C ATOM 591 O ALA A 41 -21.484 -4.864 21.066 1.00 0.00 O ATOM 592 CB ALA A 41 -19.500 -6.719 18.648 1.00 0.00 C ATOM 0 H ALA A 41 -17.699 -6.135 20.205 1.00 0.00 H new ATOM 0 HA ALA A 41 -19.804 -4.674 19.154 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -20.392 -6.765 18.024 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -18.631 -6.506 18.025 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -19.360 -7.676 19.151 1.00 0.00 H new ATOM 598 N LEU A 42 -21.235 -7.091 20.766 1.00 0.00 N ATOM 599 CA LEU A 42 -22.382 -7.443 21.586 1.00 0.00 C ATOM 600 C LEU A 42 -23.464 -6.374 21.428 1.00 0.00 C ATOM 601 O LEU A 42 -24.125 -6.006 22.398 1.00 0.00 O ATOM 602 CB LEU A 42 -21.952 -7.672 23.036 1.00 0.00 C ATOM 603 CG LEU A 42 -21.471 -6.435 23.798 1.00 0.00 C ATOM 604 CD1 LEU A 42 -22.618 -5.798 24.587 1.00 0.00 C ATOM 605 CD2 LEU A 42 -20.278 -6.771 24.693 1.00 0.00 C ATOM 0 H LEU A 42 -20.740 -7.886 20.362 1.00 0.00 H new ATOM 0 HA LEU A 42 -22.814 -8.386 21.252 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -22.792 -8.104 23.579 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -21.152 -8.413 23.044 1.00 0.00 H new ATOM 0 HG LEU A 42 -21.130 -5.698 23.071 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -22.250 -4.921 25.120 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -23.410 -5.500 23.900 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -23.011 -6.519 25.304 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -19.957 -5.874 25.223 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -20.568 -7.534 25.415 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -19.457 -7.144 24.080 1.00 0.00 H new ATOM 616 N GLY A 43 -23.612 -5.905 20.198 1.00 0.00 N ATOM 617 CA GLY A 43 -24.603 -4.885 19.900 1.00 0.00 C ATOM 618 C GLY A 43 -24.077 -3.897 18.856 1.00 0.00 C ATOM 619 O GLY A 43 -24.372 -4.027 17.669 1.00 0.00 O ATOM 0 H GLY A 43 -23.062 -6.213 19.396 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -25.515 -5.355 19.533 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -24.865 -4.350 20.813 1.00 0.00 H new ATOM 623 N HIS A 44 -23.307 -2.932 19.337 1.00 0.00 N ATOM 624 CA HIS A 44 -22.737 -1.923 18.460 1.00 0.00 C ATOM 625 C HIS A 44 -21.876 -0.959 19.279 1.00 0.00 C ATOM 626 O HIS A 44 -22.104 0.249 19.265 1.00 0.00 O ATOM 627 CB HIS A 44 -23.834 -1.209 17.667 1.00 0.00 C ATOM 628 CG HIS A 44 -24.794 -0.418 18.523 1.00 0.00 C ATOM 629 ND1 HIS A 44 -25.245 0.844 18.173 1.00 0.00 N ATOM 630 CD2 HIS A 44 -25.384 -0.721 19.715 1.00 0.00 C ATOM 631 CE1 HIS A 44 -26.068 1.270 19.120 1.00 0.00 C ATOM 632 NE2 HIS A 44 -26.152 0.300 20.074 1.00 0.00 N ATOM 0 H HIS A 44 -23.065 -2.827 20.322 1.00 0.00 H new ATOM 0 HA HIS A 44 -22.089 -2.400 17.724 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -23.368 -0.537 16.946 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -24.396 -1.949 17.097 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -25.249 -1.636 20.272 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -26.582 2.220 19.134 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -26.713 0.351 20.924 1.00 0.00 H new ATOM 640 N VAL A 45 -20.901 -1.531 19.972 1.00 0.00 N ATOM 641 CA VAL A 45 -20.005 -0.738 20.796 1.00 0.00 C ATOM 642 C VAL A 45 -18.607 -0.746 20.172 1.00 0.00 C ATOM 643 O VAL A 45 -17.829 0.186 20.372 1.00 0.00 O ATOM 644 CB VAL A 45 -20.019 -1.256 22.234 1.00 0.00 C ATOM 645 CG1 VAL A 45 -19.769 -0.120 23.229 1.00 0.00 C ATOM 646 CG2 VAL A 45 -21.333 -1.976 22.545 1.00 0.00 C ATOM 0 H VAL A 45 -20.713 -2.533 19.979 1.00 0.00 H new ATOM 0 HA VAL A 45 -20.340 0.299 20.836 1.00 0.00 H new ATOM 0 HB VAL A 45 -19.208 -1.977 22.337 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -19.784 -0.516 24.244 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -18.797 0.331 23.030 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -20.548 0.635 23.122 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -21.317 -2.335 23.574 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -22.166 -1.285 22.415 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -21.454 -2.822 21.868 1.00 0.00 H new ATOM 656 N ASN A 46 -18.331 -1.808 19.429 1.00 0.00 N ATOM 657 CA ASN A 46 -17.041 -1.948 18.776 1.00 0.00 C ATOM 658 C ASN A 46 -16.785 -0.725 17.893 1.00 0.00 C ATOM 659 O ASN A 46 -15.642 -0.298 17.735 1.00 0.00 O ATOM 660 CB ASN A 46 -17.009 -3.190 17.882 1.00 0.00 C ATOM 661 CG ASN A 46 -18.255 -3.262 16.997 1.00 0.00 C ATOM 662 OD1 ASN A 46 -19.377 -3.361 17.467 1.00 0.00 O ATOM 663 ND2 ASN A 46 -17.997 -3.205 15.694 1.00 0.00 N ATOM 0 H ASN A 46 -18.978 -2.579 19.265 1.00 0.00 H new ATOM 0 HA ASN A 46 -16.279 -2.040 19.550 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -16.116 -3.170 17.257 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -16.946 -4.086 18.500 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -18.762 -3.244 15.020 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -17.034 -3.122 15.368 1.00 0.00 H new ATOM 669 N CYS A 47 -17.867 -0.195 17.342 1.00 0.00 N ATOM 670 CA CYS A 47 -17.774 0.971 16.481 1.00 0.00 C ATOM 671 C CYS A 47 -17.428 2.183 17.349 1.00 0.00 C ATOM 672 O CYS A 47 -16.932 3.190 16.844 1.00 0.00 O ATOM 673 CB CYS A 47 -19.060 1.189 15.682 1.00 0.00 C ATOM 674 SG CYS A 47 -20.308 2.033 16.723 1.00 0.00 S ATOM 0 H CYS A 47 -18.813 -0.552 17.475 1.00 0.00 H new ATOM 0 HA CYS A 47 -16.987 0.818 15.742 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -18.850 1.787 14.795 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -19.450 0.232 15.336 1.00 0.00 H new ATOM 0 HG CYS A 47 -20.819 1.183 17.563 1.00 0.00 H new ATOM 679 N THR A 48 -17.703 2.046 18.637 1.00 0.00 N ATOM 680 CA THR A 48 -17.428 3.117 19.579 1.00 0.00 C ATOM 681 C THR A 48 -15.961 3.081 20.013 1.00 0.00 C ATOM 682 O THR A 48 -15.367 4.122 20.294 1.00 0.00 O ATOM 683 CB THR A 48 -18.410 2.987 20.744 1.00 0.00 C ATOM 684 OG1 THR A 48 -19.686 2.908 20.116 1.00 0.00 O ATOM 685 CG2 THR A 48 -18.489 4.259 21.590 1.00 0.00 C ATOM 0 H THR A 48 -18.114 1.209 19.051 1.00 0.00 H new ATOM 0 HA THR A 48 -17.575 4.095 19.120 1.00 0.00 H new ATOM 0 HB THR A 48 -18.113 2.150 21.376 1.00 0.00 H new ATOM 0 HG1 THR A 48 -20.382 2.820 20.800 1.00 0.00 H new ATOM 0 HG21 THR A 48 -19.200 4.112 22.403 1.00 0.00 H new ATOM 0 HG22 THR A 48 -17.506 4.482 22.004 1.00 0.00 H new ATOM 0 HG23 THR A 48 -18.817 5.091 20.967 1.00 0.00 H new ATOM 693 N ILE A 49 -15.419 1.874 20.054 1.00 0.00 N ATOM 694 CA ILE A 49 -14.033 1.689 20.449 1.00 0.00 C ATOM 695 C ILE A 49 -13.145 1.702 19.203 1.00 0.00 C ATOM 696 O ILE A 49 -12.136 2.403 19.163 1.00 0.00 O ATOM 697 CB ILE A 49 -13.882 0.426 21.299 1.00 0.00 C ATOM 698 CG1 ILE A 49 -14.123 -0.831 20.461 1.00 0.00 C ATOM 699 CG2 ILE A 49 -14.792 0.479 22.527 1.00 0.00 C ATOM 700 CD1 ILE A 49 -12.866 -1.221 19.681 1.00 0.00 C ATOM 0 H ILE A 49 -15.914 1.014 19.820 1.00 0.00 H new ATOM 0 HA ILE A 49 -13.705 2.513 21.083 1.00 0.00 H new ATOM 0 HB ILE A 49 -12.855 0.379 21.661 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -14.422 -1.654 21.111 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -14.946 -0.658 19.768 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -14.665 -0.431 23.114 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -14.530 1.344 23.137 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -15.831 0.562 22.207 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -13.066 -2.118 19.094 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -12.584 -0.406 19.014 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -12.052 -1.418 20.378 1.00 0.00 H new ATOM 711 N LYS A 50 -13.554 0.917 18.217 1.00 0.00 N ATOM 712 CA LYS A 50 -12.809 0.830 16.972 1.00 0.00 C ATOM 713 C LYS A 50 -12.666 2.229 16.369 1.00 0.00 C ATOM 714 O LYS A 50 -11.585 2.607 15.920 1.00 0.00 O ATOM 715 CB LYS A 50 -13.460 -0.183 16.028 1.00 0.00 C ATOM 716 CG LYS A 50 -12.428 -0.782 15.071 1.00 0.00 C ATOM 717 CD LYS A 50 -11.491 -1.742 15.805 1.00 0.00 C ATOM 718 CE LYS A 50 -10.077 -1.164 15.901 1.00 0.00 C ATOM 719 NZ LYS A 50 -9.435 -1.145 14.568 1.00 0.00 N ATOM 0 H LYS A 50 -14.391 0.336 18.255 1.00 0.00 H new ATOM 0 HA LYS A 50 -11.801 0.458 17.156 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -13.928 -0.978 16.609 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -14.252 0.303 15.457 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -12.938 -1.311 14.266 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -11.847 0.017 14.610 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -11.876 -1.937 16.806 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -11.462 -2.698 15.282 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -10.117 -0.153 16.306 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -9.480 -1.760 16.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -8.680 -0.430 14.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -9.029 -2.081 14.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -10.144 -0.911 13.844 1.00 0.00 H new ATOM 729 N GLU A 51 -13.771 2.958 16.377 1.00 0.00 N ATOM 730 CA GLU A 51 -13.782 4.306 15.837 1.00 0.00 C ATOM 731 C GLU A 51 -12.919 5.231 16.697 1.00 0.00 C ATOM 732 O GLU A 51 -12.563 6.328 16.272 1.00 0.00 O ATOM 733 CB GLU A 51 -15.212 4.841 15.723 1.00 0.00 C ATOM 734 CG GLU A 51 -15.240 6.182 14.989 1.00 0.00 C ATOM 735 CD GLU A 51 -16.677 6.625 14.710 1.00 0.00 C ATOM 736 OE1 GLU A 51 -17.339 5.932 13.907 1.00 0.00 O ATOM 737 OE2 GLU A 51 -17.082 7.647 15.305 1.00 0.00 O ATOM 0 H GLU A 51 -14.666 2.640 16.749 1.00 0.00 H new ATOM 0 HA GLU A 51 -13.359 4.276 14.833 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -15.833 4.119 15.192 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -15.640 4.959 16.718 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -14.732 6.939 15.587 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -14.693 6.098 14.050 1.00 0.00 H new ATOM 742 N LEU A 52 -12.606 4.752 17.892 1.00 0.00 N ATOM 743 CA LEU A 52 -11.790 5.521 18.816 1.00 0.00 C ATOM 744 C LEU A 52 -10.316 5.174 18.600 1.00 0.00 C ATOM 745 O LEU A 52 -9.439 6.007 18.822 1.00 0.00 O ATOM 746 CB LEU A 52 -12.267 5.311 20.255 1.00 0.00 C ATOM 747 CG LEU A 52 -12.383 6.572 21.115 1.00 0.00 C ATOM 748 CD1 LEU A 52 -11.040 7.296 21.211 1.00 0.00 C ATOM 749 CD2 LEU A 52 -13.493 7.489 20.594 1.00 0.00 C ATOM 0 H LEU A 52 -12.903 3.841 18.242 1.00 0.00 H new ATOM 0 HA LEU A 52 -11.898 6.588 18.621 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -13.242 4.824 20.226 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -11.581 4.622 20.747 1.00 0.00 H new ATOM 0 HG LEU A 52 -12.659 6.272 22.126 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -11.151 8.188 21.827 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -10.301 6.633 21.661 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -10.709 7.584 20.213 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -13.555 8.378 21.222 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -13.270 7.784 19.569 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -14.445 6.959 20.620 1.00 0.00 H new ATOM 760 N ARG A 53 -10.089 3.942 18.169 1.00 0.00 N ATOM 761 CA ARG A 53 -8.736 3.474 17.920 1.00 0.00 C ATOM 762 C ARG A 53 -8.344 3.732 16.464 1.00 0.00 C ATOM 763 O ARG A 53 -7.489 4.571 16.186 1.00 0.00 O ATOM 764 CB ARG A 53 -8.606 1.979 18.219 1.00 0.00 C ATOM 765 CG ARG A 53 -7.270 1.433 17.713 1.00 0.00 C ATOM 766 CD ARG A 53 -7.477 0.481 16.533 1.00 0.00 C ATOM 767 NE ARG A 53 -6.167 0.048 15.996 1.00 0.00 N ATOM 768 CZ ARG A 53 -5.313 0.858 15.356 1.00 0.00 C ATOM 769 NH1 ARG A 53 -5.625 2.148 15.170 1.00 0.00 N ATOM 770 NH2 ARG A 53 -4.147 0.378 14.903 1.00 0.00 N ATOM 0 H ARG A 53 -10.819 3.254 17.986 1.00 0.00 H new ATOM 0 HA ARG A 53 -8.068 4.025 18.582 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -8.688 1.811 19.293 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -9.426 1.438 17.748 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -6.627 2.259 17.410 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -6.758 0.910 18.521 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -8.053 -0.387 16.852 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -8.054 0.977 15.752 1.00 0.00 H new ATOM 0 HE ARG A 53 -5.898 -0.928 16.121 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -6.513 2.513 15.516 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -4.975 2.765 14.683 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -3.910 -0.604 15.045 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -3.497 0.994 14.416 1.00 0.00 H new ATOM 781 N ARG A 54 -8.990 2.996 15.572 1.00 0.00 N ATOM 782 CA ARG A 54 -8.721 3.135 14.150 1.00 0.00 C ATOM 783 C ARG A 54 -9.180 4.507 13.654 1.00 0.00 C ATOM 784 O ARG A 54 -8.424 5.217 12.993 1.00 0.00 O ATOM 785 CB ARG A 54 -9.432 2.044 13.345 1.00 0.00 C ATOM 786 CG ARG A 54 -8.814 1.899 11.954 1.00 0.00 C ATOM 787 CD ARG A 54 -7.473 1.164 12.023 1.00 0.00 C ATOM 788 NE ARG A 54 -7.480 0.011 11.094 1.00 0.00 N ATOM 789 CZ ARG A 54 -7.163 0.093 9.794 1.00 0.00 C ATOM 790 NH1 ARG A 54 -6.813 1.271 9.262 1.00 0.00 N ATOM 791 NH2 ARG A 54 -7.197 -1.005 9.027 1.00 0.00 N ATOM 0 H ARG A 54 -9.699 2.301 15.806 1.00 0.00 H new ATOM 0 HA ARG A 54 -7.645 3.034 14.005 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -9.367 1.094 13.876 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -10.491 2.286 13.253 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -9.498 1.354 11.303 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -8.670 2.885 11.512 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -6.662 1.845 11.765 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -7.289 0.820 13.041 1.00 0.00 H new ATOM 0 HE ARG A 54 -7.742 -0.902 11.466 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -6.787 2.107 9.846 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -6.572 1.332 8.273 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -7.464 -1.902 9.432 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -6.956 -0.944 8.038 1.00 0.00 H new ATOM 802 N LEU A 55 -10.417 4.838 13.992 1.00 0.00 N ATOM 803 CA LEU A 55 -10.987 6.113 13.588 1.00 0.00 C ATOM 804 C LEU A 55 -11.533 5.995 12.164 1.00 0.00 C ATOM 805 O LEU A 55 -12.052 6.966 11.612 1.00 0.00 O ATOM 806 CB LEU A 55 -9.963 7.237 13.763 1.00 0.00 C ATOM 807 CG LEU A 55 -10.525 8.597 14.182 1.00 0.00 C ATOM 808 CD1 LEU A 55 -11.838 8.894 13.457 1.00 0.00 C ATOM 809 CD2 LEU A 55 -10.675 8.684 15.701 1.00 0.00 C ATOM 0 H LEU A 55 -11.041 4.246 14.541 1.00 0.00 H new ATOM 0 HA LEU A 55 -11.827 6.375 14.231 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -9.232 6.923 14.508 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -9.426 7.362 12.823 1.00 0.00 H new ATOM 0 HG LEU A 55 -9.813 9.367 13.885 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -12.216 9.866 13.773 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -11.665 8.904 12.381 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -12.570 8.124 13.700 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -11.076 9.661 15.972 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -11.355 7.904 16.045 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -9.701 8.549 16.171 1.00 0.00 H new ATOM 820 N PHE A 56 -11.400 4.800 11.611 1.00 0.00 N ATOM 821 CA PHE A 56 -11.874 4.542 10.262 1.00 0.00 C ATOM 822 C PHE A 56 -12.625 3.211 10.189 1.00 0.00 C ATOM 823 O PHE A 56 -13.662 3.115 9.536 1.00 0.00 O ATOM 824 CB PHE A 56 -10.640 4.469 9.360 1.00 0.00 C ATOM 825 CG PHE A 56 -10.882 4.961 7.932 1.00 0.00 C ATOM 826 CD1 PHE A 56 -11.322 4.095 6.979 1.00 0.00 C ATOM 827 CD2 PHE A 56 -10.658 6.264 7.614 1.00 0.00 C ATOM 828 CE1 PHE A 56 -11.547 4.552 5.654 1.00 0.00 C ATOM 829 CE2 PHE A 56 -10.882 6.721 6.288 1.00 0.00 C ATOM 830 CZ PHE A 56 -11.322 5.855 5.337 1.00 0.00 C ATOM 0 H PHE A 56 -10.970 3.998 12.073 1.00 0.00 H new ATOM 0 HA PHE A 56 -12.558 5.331 9.951 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -9.841 5.061 9.807 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -10.290 3.437 9.323 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -11.500 3.060 7.231 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -10.310 6.952 8.370 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -11.897 3.865 4.898 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -10.703 7.756 6.035 1.00 0.00 H new ATOM 0 HZ PHE A 56 -11.493 6.202 4.329 1.00 0.00 H new ATOM 839 N LEU A 57 -12.071 2.218 10.867 1.00 0.00 N ATOM 840 CA LEU A 57 -12.674 0.897 10.888 1.00 0.00 C ATOM 841 C LEU A 57 -14.178 1.031 11.136 1.00 0.00 C ATOM 842 O LEU A 57 -14.974 0.282 10.572 1.00 0.00 O ATOM 843 CB LEU A 57 -11.962 -0.003 11.900 1.00 0.00 C ATOM 844 CG LEU A 57 -11.606 -1.409 11.415 1.00 0.00 C ATOM 845 CD1 LEU A 57 -12.853 -2.158 10.940 1.00 0.00 C ATOM 846 CD2 LEU A 57 -10.523 -1.359 10.336 1.00 0.00 C ATOM 0 H LEU A 57 -11.210 2.302 11.407 1.00 0.00 H new ATOM 0 HA LEU A 57 -12.552 0.408 9.921 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -11.045 0.494 12.215 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -12.595 -0.094 12.783 1.00 0.00 H new ATOM 0 HG LEU A 57 -11.197 -1.967 12.257 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -12.571 -3.155 10.601 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -13.563 -2.242 11.763 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -13.314 -1.611 10.117 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -10.289 -2.372 10.009 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -10.882 -0.777 9.487 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -9.626 -0.892 10.742 1.00 0.00 H new ATOM 857 N VAL A 58 -14.522 1.993 11.981 1.00 0.00 N ATOM 858 CA VAL A 58 -15.916 2.236 12.312 1.00 0.00 C ATOM 859 C VAL A 58 -16.646 0.897 12.436 1.00 0.00 C ATOM 860 O VAL A 58 -17.438 0.535 11.567 1.00 0.00 O ATOM 861 CB VAL A 58 -16.545 3.166 11.272 1.00 0.00 C ATOM 862 CG1 VAL A 58 -18.035 3.374 11.553 1.00 0.00 C ATOM 863 CG2 VAL A 58 -15.806 4.504 11.215 1.00 0.00 C ATOM 0 H VAL A 58 -13.859 2.613 12.446 1.00 0.00 H new ATOM 0 HA VAL A 58 -15.999 2.742 13.274 1.00 0.00 H new ATOM 0 HB VAL A 58 -16.451 2.690 10.296 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -18.458 4.039 10.800 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -18.549 2.413 11.519 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -18.160 3.818 12.540 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -16.273 5.146 10.468 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -15.854 4.988 12.191 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -14.764 4.333 10.946 1.00 0.00 H new ATOM 873 N ASP A 59 -16.355 0.199 13.525 1.00 0.00 N ATOM 874 CA ASP A 59 -16.975 -1.091 13.774 1.00 0.00 C ATOM 875 C ASP A 59 -16.349 -2.139 12.852 1.00 0.00 C ATOM 876 O ASP A 59 -15.856 -3.166 13.318 1.00 0.00 O ATOM 877 CB ASP A 59 -18.477 -1.045 13.487 1.00 0.00 C ATOM 878 CG ASP A 59 -18.923 -1.827 12.251 1.00 0.00 C ATOM 879 OD1 ASP A 59 -19.094 -3.057 12.387 1.00 0.00 O ATOM 880 OD2 ASP A 59 -19.084 -1.175 11.196 1.00 0.00 O ATOM 0 H ASP A 59 -15.698 0.503 14.244 1.00 0.00 H new ATOM 0 HA ASP A 59 -16.816 -1.345 14.822 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -19.010 -1.433 14.355 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -18.777 -0.004 13.368 1.00 0.00 H new ATOM 884 N ASP A 60 -16.389 -1.845 11.561 1.00 0.00 N ATOM 885 CA ASP A 60 -15.831 -2.749 10.570 1.00 0.00 C ATOM 886 C ASP A 60 -15.428 -1.952 9.328 1.00 0.00 C ATOM 887 O ASP A 60 -14.448 -2.285 8.663 1.00 0.00 O ATOM 888 CB ASP A 60 -16.859 -3.799 10.143 1.00 0.00 C ATOM 889 CG ASP A 60 -16.358 -4.815 9.116 1.00 0.00 C ATOM 890 OD1 ASP A 60 -15.142 -4.777 8.827 1.00 0.00 O ATOM 891 OD2 ASP A 60 -17.201 -5.607 8.641 1.00 0.00 O ATOM 0 H ASP A 60 -16.799 -0.993 11.178 1.00 0.00 H new ATOM 0 HA ASP A 60 -14.969 -3.246 11.015 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -17.196 -4.337 11.029 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -17.729 -3.287 9.731 1.00 0.00 H new TER 895 ASP A 60