USER MOD reduce.3.24.130724 H: found=0, std=0, add=483, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 481 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 24 LYS NZ :NH3+ 179:sc= 0.253 (180deg=0) USER MOD Set 1.2: A 27 GLN : amide:sc= -1.14 K(o=-0.89,f=-5.4!) USER MOD Set 2.1: A 13 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 16 THR OG1 : rot -179:sc= 0.375 USER MOD Set 3.1: A 1 MET CE :methyl -144:sc= -0.683 (180deg=-3.62) USER MOD Set 3.2: A 45 HIS : no HE2:sc= -0.833 K(o=-1.5,f=-0.83) USER MOD Single : A 1 MET N :NH3+ -163:sc= -0.0367 (180deg=-0.415) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.00916 USER MOD Single : A 18 SER OG : rot 180:sc= -1.82! USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 LYS NZ :NH3+ 139:sc= 0.903 (180deg=0.146) USER MOD Single : A 28 TYR OH : rot 180:sc= -0.0352 USER MOD Single : A 31 SER OG : rot 180:sc= -0.876 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 150:sc= -0.0591 USER MOD Single : A 37 LYS NZ :NH3+ -150:sc= 1.27 (180deg=-0.337) USER MOD Single : A 39 MET CE :methyl -139:sc= -8.08! (180deg=-11.7!) USER MOD Single : A 46 ASN : amide:sc= -0.0188 X(o=-0.019,f=0) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HE2:sc= 0.877 K(o=0.88,f=-2.8!) USER MOD Single : A 50 ASN : amide:sc= 0.00858 X(o=0.0086,f=0) USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.576 12.383 2.221 1.00 0.00 N ATOM 2 CA MET A 1 -1.457 11.406 2.382 1.00 0.00 C ATOM 3 C MET A 1 -1.032 10.859 1.005 1.00 0.00 C ATOM 4 O MET A 1 -1.326 9.732 0.651 1.00 0.00 O ATOM 5 CB MET A 1 -1.893 10.275 3.328 1.00 0.00 C ATOM 6 CG MET A 1 -2.280 10.820 4.705 1.00 0.00 C ATOM 7 SD MET A 1 -0.902 11.728 5.457 1.00 0.00 S ATOM 8 CE MET A 1 0.369 10.441 5.367 1.00 0.00 C ATOM 0 H1 MET A 1 -2.665 12.954 3.086 1.00 0.00 H new ATOM 0 H2 MET A 1 -2.378 13.007 1.413 1.00 0.00 H new ATOM 0 H3 MET A 1 -3.464 11.869 2.052 1.00 0.00 H new ATOM 0 HA MET A 1 -0.593 11.904 2.822 1.00 0.00 H new ATOM 0 HB2 MET A 1 -2.739 9.741 2.895 1.00 0.00 H new ATOM 0 HB3 MET A 1 -1.082 9.554 3.434 1.00 0.00 H new ATOM 0 HG2 MET A 1 -3.144 11.477 4.610 1.00 0.00 H new ATOM 0 HG3 MET A 1 -2.576 9.997 5.356 1.00 0.00 H new ATOM 0 HE1 MET A 1 1.006 10.497 6.250 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.107 9.462 5.324 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.974 10.589 4.473 1.00 0.00 H new ATOM 20 N LYS A 2 -0.339 11.675 0.239 1.00 0.00 N ATOM 21 CA LYS A 2 0.151 11.299 -1.129 1.00 0.00 C ATOM 22 C LYS A 2 0.987 10.014 -1.078 1.00 0.00 C ATOM 23 O LYS A 2 1.599 9.703 -0.071 1.00 0.00 O ATOM 24 CB LYS A 2 1.036 12.401 -1.728 1.00 0.00 C ATOM 25 CG LYS A 2 0.318 13.757 -1.756 1.00 0.00 C ATOM 26 CD LYS A 2 -0.070 14.121 -3.194 1.00 0.00 C ATOM 27 CE LYS A 2 -1.499 13.650 -3.492 1.00 0.00 C ATOM 28 NZ LYS A 2 -2.393 14.824 -3.714 1.00 0.00 N ATOM 0 H LYS A 2 -0.085 12.622 0.519 1.00 0.00 H new ATOM 0 HA LYS A 2 -0.735 11.153 -1.747 1.00 0.00 H new ATOM 0 HB2 LYS A 2 1.953 12.487 -1.145 1.00 0.00 H new ATOM 0 HB3 LYS A 2 1.327 12.123 -2.741 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -0.573 13.718 -1.130 1.00 0.00 H new ATOM 0 HG3 LYS A 2 0.966 14.528 -1.340 1.00 0.00 H new ATOM 0 HD2 LYS A 2 0.002 15.199 -3.336 1.00 0.00 H new ATOM 0 HD3 LYS A 2 0.626 13.660 -3.894 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -1.502 13.009 -4.374 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -1.873 13.051 -2.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -3.358 14.492 -3.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -2.402 15.420 -2.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -2.043 15.379 -4.521 1.00 0.00 H new ATOM 42 N LEU A 3 1.012 9.279 -2.165 1.00 0.00 N ATOM 43 CA LEU A 3 1.793 8.006 -2.246 1.00 0.00 C ATOM 44 C LEU A 3 3.264 8.265 -1.897 1.00 0.00 C ATOM 45 O LEU A 3 3.804 7.602 -1.032 1.00 0.00 O ATOM 46 CB LEU A 3 1.707 7.433 -3.666 1.00 0.00 C ATOM 47 CG LEU A 3 1.345 5.946 -3.633 1.00 0.00 C ATOM 48 CD1 LEU A 3 1.519 5.371 -5.037 1.00 0.00 C ATOM 49 CD2 LEU A 3 2.260 5.177 -2.671 1.00 0.00 C ATOM 0 H LEU A 3 0.510 9.516 -3.021 1.00 0.00 H new ATOM 0 HA LEU A 3 1.373 7.294 -1.536 1.00 0.00 H new ATOM 0 HB2 LEU A 3 0.959 7.981 -4.239 1.00 0.00 H new ATOM 0 HB3 LEU A 3 2.661 7.568 -4.176 1.00 0.00 H new ATOM 0 HG LEU A 3 0.315 5.844 -3.291 1.00 0.00 H new ATOM 0 HD11 LEU A 3 1.265 4.311 -5.030 1.00 0.00 H new ATOM 0 HD12 LEU A 3 0.862 5.897 -5.730 1.00 0.00 H new ATOM 0 HD13 LEU A 3 2.554 5.494 -5.355 1.00 0.00 H new ATOM 0 HD21 LEU A 3 1.981 4.123 -2.667 1.00 0.00 H new ATOM 0 HD22 LEU A 3 3.296 5.277 -2.996 1.00 0.00 H new ATOM 0 HD23 LEU A 3 2.155 5.584 -1.665 1.00 0.00 H new ATOM 61 N ASP A 4 3.889 9.217 -2.562 1.00 0.00 N ATOM 62 CA ASP A 4 5.325 9.562 -2.304 1.00 0.00 C ATOM 63 C ASP A 4 5.543 9.952 -0.834 1.00 0.00 C ATOM 64 O ASP A 4 6.569 9.620 -0.265 1.00 0.00 O ATOM 65 CB ASP A 4 5.760 10.723 -3.205 1.00 0.00 C ATOM 66 CG ASP A 4 7.283 10.692 -3.375 1.00 0.00 C ATOM 67 OD1 ASP A 4 7.749 9.963 -4.236 1.00 0.00 O ATOM 68 OD2 ASP A 4 7.955 11.398 -2.637 1.00 0.00 O ATOM 0 H ASP A 4 3.449 9.780 -3.290 1.00 0.00 H new ATOM 0 HA ASP A 4 5.926 8.680 -2.526 1.00 0.00 H new ATOM 0 HB2 ASP A 4 5.273 10.646 -4.177 1.00 0.00 H new ATOM 0 HB3 ASP A 4 5.451 11.673 -2.768 1.00 0.00 H new ATOM 73 N GLU A 5 4.594 10.637 -0.232 1.00 0.00 N ATOM 74 CA GLU A 5 4.701 11.059 1.194 1.00 0.00 C ATOM 75 C GLU A 5 4.587 9.822 2.092 1.00 0.00 C ATOM 76 O GLU A 5 5.370 9.659 3.009 1.00 0.00 O ATOM 77 CB GLU A 5 3.647 12.143 1.435 1.00 0.00 C ATOM 78 CG GLU A 5 2.428 11.713 2.256 1.00 0.00 C ATOM 79 CD GLU A 5 1.593 12.946 2.628 1.00 0.00 C ATOM 80 OE1 GLU A 5 1.007 13.549 1.739 1.00 0.00 O ATOM 81 OE2 GLU A 5 1.546 13.274 3.801 1.00 0.00 O ATOM 0 H GLU A 5 3.729 10.926 -0.689 1.00 0.00 H new ATOM 0 HA GLU A 5 5.666 11.501 1.441 1.00 0.00 H new ATOM 0 HB2 GLU A 5 4.125 12.982 1.940 1.00 0.00 H new ATOM 0 HB3 GLU A 5 3.300 12.508 0.468 1.00 0.00 H new ATOM 0 HG2 GLU A 5 1.822 11.011 1.684 1.00 0.00 H new ATOM 0 HG3 GLU A 5 2.750 11.194 3.159 1.00 0.00 H new ATOM 88 N ILE A 6 3.634 8.965 1.812 1.00 0.00 N ATOM 89 CA ILE A 6 3.419 7.706 2.588 1.00 0.00 C ATOM 90 C ILE A 6 4.641 6.788 2.385 1.00 0.00 C ATOM 91 O ILE A 6 4.950 5.992 3.255 1.00 0.00 O ATOM 92 CB ILE A 6 2.104 7.076 2.097 1.00 0.00 C ATOM 93 CG1 ILE A 6 0.973 7.997 2.584 1.00 0.00 C ATOM 94 CG2 ILE A 6 1.924 5.648 2.629 1.00 0.00 C ATOM 95 CD1 ILE A 6 -0.372 7.275 2.675 1.00 0.00 C ATOM 0 H ILE A 6 2.972 9.095 1.047 1.00 0.00 H new ATOM 0 HA ILE A 6 3.329 7.885 3.659 1.00 0.00 H new ATOM 0 HB ILE A 6 2.102 6.990 1.010 1.00 0.00 H new ATOM 0 HG12 ILE A 6 1.233 8.399 3.563 1.00 0.00 H new ATOM 0 HG13 ILE A 6 0.881 8.845 1.905 1.00 0.00 H new ATOM 0 HG21 ILE A 6 0.984 5.238 2.260 1.00 0.00 H new ATOM 0 HG22 ILE A 6 2.751 5.025 2.287 1.00 0.00 H new ATOM 0 HG23 ILE A 6 1.909 5.665 3.719 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -1.135 7.971 3.024 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -0.649 6.896 1.691 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -0.292 6.443 3.375 1.00 0.00 H new ATOM 107 N ALA A 7 5.328 6.902 1.265 1.00 0.00 N ATOM 108 CA ALA A 7 6.536 6.068 0.976 1.00 0.00 C ATOM 109 C ALA A 7 7.672 6.567 1.874 1.00 0.00 C ATOM 110 O ALA A 7 8.328 5.771 2.519 1.00 0.00 O ATOM 111 CB ALA A 7 6.938 6.216 -0.496 1.00 0.00 C ATOM 0 H ALA A 7 5.090 7.559 0.522 1.00 0.00 H new ATOM 0 HA ALA A 7 6.325 5.016 1.170 1.00 0.00 H new ATOM 0 HB1 ALA A 7 7.818 5.605 -0.696 1.00 0.00 H new ATOM 0 HB2 ALA A 7 6.116 5.888 -1.132 1.00 0.00 H new ATOM 0 HB3 ALA A 7 7.166 7.261 -0.708 1.00 0.00 H new ATOM 117 N ARG A 8 7.883 7.866 1.910 1.00 0.00 N ATOM 118 CA ARG A 8 8.956 8.483 2.753 1.00 0.00 C ATOM 119 C ARG A 8 8.590 8.361 4.245 1.00 0.00 C ATOM 120 O ARG A 8 9.468 8.250 5.083 1.00 0.00 O ATOM 121 CB ARG A 8 9.187 9.950 2.345 1.00 0.00 C ATOM 122 CG ARG A 8 7.934 10.813 2.524 1.00 0.00 C ATOM 123 CD ARG A 8 8.231 12.283 2.207 1.00 0.00 C ATOM 124 NE ARG A 8 8.660 12.435 0.783 1.00 0.00 N ATOM 125 CZ ARG A 8 9.728 13.134 0.499 1.00 0.00 C ATOM 126 NH1 ARG A 8 10.895 12.544 0.502 1.00 0.00 N ATOM 127 NH2 ARG A 8 9.620 14.408 0.218 1.00 0.00 N ATOM 0 H ARG A 8 7.338 8.540 1.373 1.00 0.00 H new ATOM 0 HA ARG A 8 9.891 7.947 2.590 1.00 0.00 H new ATOM 0 HB2 ARG A 8 9.999 10.366 2.941 1.00 0.00 H new ATOM 0 HB3 ARG A 8 9.505 9.988 1.303 1.00 0.00 H new ATOM 0 HG2 ARG A 8 7.141 10.449 1.871 1.00 0.00 H new ATOM 0 HG3 ARG A 8 7.570 10.724 3.547 1.00 0.00 H new ATOM 0 HD2 ARG A 8 7.343 12.888 2.392 1.00 0.00 H new ATOM 0 HD3 ARG A 8 9.013 12.653 2.870 1.00 0.00 H new ATOM 0 HE ARG A 8 8.122 11.995 0.036 1.00 0.00 H new ATOM 0 HH11 ARG A 8 10.964 11.551 0.724 1.00 0.00 H new ATOM 0 HH12 ARG A 8 11.736 13.077 0.282 1.00 0.00 H new ATOM 0 HH21 ARG A 8 8.703 14.855 0.221 1.00 0.00 H new ATOM 0 HH22 ARG A 8 10.453 14.954 -0.004 1.00 0.00 H new ATOM 141 N LEU A 9 7.311 8.376 4.565 1.00 0.00 N ATOM 142 CA LEU A 9 6.816 8.260 5.967 1.00 0.00 C ATOM 143 C LEU A 9 6.966 6.805 6.430 1.00 0.00 C ATOM 144 O LEU A 9 7.478 6.567 7.508 1.00 0.00 O ATOM 145 CB LEU A 9 5.340 8.674 6.007 1.00 0.00 C ATOM 146 CG LEU A 9 5.185 10.135 6.441 1.00 0.00 C ATOM 147 CD1 LEU A 9 3.706 10.520 6.404 1.00 0.00 C ATOM 148 CD2 LEU A 9 5.710 10.324 7.868 1.00 0.00 C ATOM 0 H LEU A 9 6.566 8.468 3.875 1.00 0.00 H new ATOM 0 HA LEU A 9 7.391 8.908 6.628 1.00 0.00 H new ATOM 0 HB2 LEU A 9 4.894 8.535 5.022 1.00 0.00 H new ATOM 0 HB3 LEU A 9 4.797 8.028 6.697 1.00 0.00 H new ATOM 0 HG LEU A 9 5.756 10.766 5.760 1.00 0.00 H new ATOM 0 HD11 LEU A 9 3.593 11.559 6.712 1.00 0.00 H new ATOM 0 HD12 LEU A 9 3.324 10.399 5.391 1.00 0.00 H new ATOM 0 HD13 LEU A 9 3.146 9.877 7.083 1.00 0.00 H new ATOM 0 HD21 LEU A 9 5.594 11.367 8.163 1.00 0.00 H new ATOM 0 HD22 LEU A 9 5.146 9.688 8.550 1.00 0.00 H new ATOM 0 HD23 LEU A 9 6.765 10.051 7.907 1.00 0.00 H new ATOM 160 N ALA A 10 6.534 5.855 5.624 1.00 0.00 N ATOM 161 CA ALA A 10 6.643 4.403 5.979 1.00 0.00 C ATOM 162 C ALA A 10 8.118 3.985 5.875 1.00 0.00 C ATOM 163 O ALA A 10 8.624 3.300 6.747 1.00 0.00 O ATOM 164 CB ALA A 10 5.800 3.554 5.021 1.00 0.00 C ATOM 0 H ALA A 10 6.102 6.033 4.717 1.00 0.00 H new ATOM 0 HA ALA A 10 6.275 4.247 6.993 1.00 0.00 H new ATOM 0 HB1 ALA A 10 5.890 2.502 5.292 1.00 0.00 H new ATOM 0 HB2 ALA A 10 4.755 3.858 5.088 1.00 0.00 H new ATOM 0 HB3 ALA A 10 6.154 3.697 4.000 1.00 0.00 H new ATOM 170 N GLY A 11 8.788 4.406 4.822 1.00 0.00 N ATOM 171 CA GLY A 11 10.228 4.081 4.601 1.00 0.00 C ATOM 172 C GLY A 11 10.494 3.209 3.367 1.00 0.00 C ATOM 173 O GLY A 11 11.290 2.290 3.454 1.00 0.00 O ATOM 0 H GLY A 11 8.376 4.980 4.086 1.00 0.00 H new ATOM 0 HA2 GLY A 11 10.788 5.011 4.502 1.00 0.00 H new ATOM 0 HA3 GLY A 11 10.613 3.570 5.483 1.00 0.00 H new ATOM 177 N VAL A 12 9.864 3.490 2.252 1.00 0.00 N ATOM 178 CA VAL A 12 10.079 2.696 0.991 1.00 0.00 C ATOM 179 C VAL A 12 10.085 3.634 -0.232 1.00 0.00 C ATOM 180 O VAL A 12 10.522 4.767 -0.123 1.00 0.00 O ATOM 181 CB VAL A 12 9.051 1.553 0.827 1.00 0.00 C ATOM 182 CG1 VAL A 12 9.050 0.623 2.034 1.00 0.00 C ATOM 183 CG2 VAL A 12 7.623 2.065 0.614 1.00 0.00 C ATOM 0 H VAL A 12 9.194 4.253 2.157 1.00 0.00 H new ATOM 0 HA VAL A 12 11.054 2.215 1.066 1.00 0.00 H new ATOM 0 HB VAL A 12 9.365 1.009 -0.064 1.00 0.00 H new ATOM 0 HG11 VAL A 12 8.315 -0.168 1.883 1.00 0.00 H new ATOM 0 HG12 VAL A 12 10.039 0.181 2.154 1.00 0.00 H new ATOM 0 HG13 VAL A 12 8.795 1.189 2.930 1.00 0.00 H new ATOM 0 HG21 VAL A 12 6.945 1.218 0.505 1.00 0.00 H new ATOM 0 HG22 VAL A 12 7.320 2.665 1.472 1.00 0.00 H new ATOM 0 HG23 VAL A 12 7.587 2.677 -0.287 1.00 0.00 H new ATOM 193 N SER A 13 9.614 3.193 -1.380 1.00 0.00 N ATOM 194 CA SER A 13 9.574 4.026 -2.620 1.00 0.00 C ATOM 195 C SER A 13 8.110 4.301 -2.991 1.00 0.00 C ATOM 196 O SER A 13 7.194 3.709 -2.438 1.00 0.00 O ATOM 197 CB SER A 13 10.238 3.288 -3.792 1.00 0.00 C ATOM 198 OG SER A 13 11.362 2.537 -3.350 1.00 0.00 O ATOM 0 H SER A 13 9.242 2.251 -1.506 1.00 0.00 H new ATOM 0 HA SER A 13 10.110 4.956 -2.431 1.00 0.00 H new ATOM 0 HB2 SER A 13 9.515 2.623 -4.264 1.00 0.00 H new ATOM 0 HB3 SER A 13 10.551 4.007 -4.549 1.00 0.00 H new ATOM 0 HG SER A 13 11.767 2.075 -4.113 1.00 0.00 H new ATOM 204 N ARG A 14 7.912 5.199 -3.932 1.00 0.00 N ATOM 205 CA ARG A 14 6.550 5.588 -4.418 1.00 0.00 C ATOM 206 C ARG A 14 5.679 4.350 -4.681 1.00 0.00 C ATOM 207 O ARG A 14 4.541 4.327 -4.253 1.00 0.00 O ATOM 208 CB ARG A 14 6.685 6.403 -5.710 1.00 0.00 C ATOM 209 CG ARG A 14 5.405 7.198 -5.968 1.00 0.00 C ATOM 210 CD ARG A 14 5.394 7.703 -7.413 1.00 0.00 C ATOM 211 NE ARG A 14 4.282 8.683 -7.592 1.00 0.00 N ATOM 212 CZ ARG A 14 4.278 9.502 -8.611 1.00 0.00 C ATOM 213 NH1 ARG A 14 5.066 10.547 -8.603 1.00 0.00 N ATOM 214 NH2 ARG A 14 3.486 9.270 -9.627 1.00 0.00 N ATOM 0 H ARG A 14 8.671 5.695 -4.399 1.00 0.00 H new ATOM 0 HA ARG A 14 6.067 6.187 -3.646 1.00 0.00 H new ATOM 0 HB2 ARG A 14 7.534 7.082 -5.633 1.00 0.00 H new ATOM 0 HB3 ARG A 14 6.884 5.737 -6.550 1.00 0.00 H new ATOM 0 HG2 ARG A 14 4.533 6.571 -5.785 1.00 0.00 H new ATOM 0 HG3 ARG A 14 5.343 8.039 -5.278 1.00 0.00 H new ATOM 0 HD2 ARG A 14 6.348 8.173 -7.652 1.00 0.00 H new ATOM 0 HD3 ARG A 14 5.269 6.866 -8.100 1.00 0.00 H new ATOM 0 HE ARG A 14 3.520 8.714 -6.915 1.00 0.00 H new ATOM 0 HH11 ARG A 14 5.678 10.718 -7.805 1.00 0.00 H new ATOM 0 HH12 ARG A 14 5.068 11.190 -9.395 1.00 0.00 H new ATOM 0 HH21 ARG A 14 2.875 8.453 -9.621 1.00 0.00 H new ATOM 0 HH22 ARG A 14 3.479 9.906 -10.424 1.00 0.00 H new ATOM 228 N THR A 15 6.182 3.344 -5.361 1.00 0.00 N ATOM 229 CA THR A 15 5.361 2.126 -5.636 1.00 0.00 C ATOM 230 C THR A 15 5.466 1.095 -4.512 1.00 0.00 C ATOM 231 O THR A 15 4.466 0.476 -4.208 1.00 0.00 O ATOM 232 CB THR A 15 5.717 1.417 -6.943 1.00 0.00 C ATOM 233 OG1 THR A 15 6.783 2.052 -7.641 1.00 0.00 O ATOM 234 CG2 THR A 15 4.478 1.366 -7.830 1.00 0.00 C ATOM 0 H THR A 15 7.130 3.317 -5.737 1.00 0.00 H new ATOM 0 HA THR A 15 4.345 2.512 -5.713 1.00 0.00 H new ATOM 0 HB THR A 15 6.057 0.412 -6.694 1.00 0.00 H new ATOM 0 HG1 THR A 15 6.972 1.560 -8.467 1.00 0.00 H new ATOM 0 HG21 THR A 15 4.721 0.862 -8.766 1.00 0.00 H new ATOM 0 HG22 THR A 15 3.686 0.819 -7.318 1.00 0.00 H new ATOM 0 HG23 THR A 15 4.140 2.380 -8.041 1.00 0.00 H new ATOM 242 N THR A 16 6.616 0.904 -3.908 1.00 0.00 N ATOM 243 CA THR A 16 6.748 -0.097 -2.803 1.00 0.00 C ATOM 244 C THR A 16 5.733 0.225 -1.713 1.00 0.00 C ATOM 245 O THR A 16 5.114 -0.670 -1.170 1.00 0.00 O ATOM 246 CB THR A 16 8.137 -0.163 -2.162 1.00 0.00 C ATOM 247 OG1 THR A 16 9.043 0.764 -2.754 1.00 0.00 O ATOM 248 CG2 THR A 16 8.662 -1.600 -2.253 1.00 0.00 C ATOM 0 H THR A 16 7.475 1.404 -4.136 1.00 0.00 H new ATOM 0 HA THR A 16 6.570 -1.069 -3.263 1.00 0.00 H new ATOM 0 HB THR A 16 8.053 0.123 -1.114 1.00 0.00 H new ATOM 0 HG1 THR A 16 9.921 0.681 -2.327 1.00 0.00 H new ATOM 0 HG21 THR A 16 9.651 -1.655 -1.799 1.00 0.00 H new ATOM 0 HG22 THR A 16 7.982 -2.270 -1.726 1.00 0.00 H new ATOM 0 HG23 THR A 16 8.726 -1.898 -3.299 1.00 0.00 H new ATOM 256 N ALA A 17 5.559 1.487 -1.418 1.00 0.00 N ATOM 257 CA ALA A 17 4.576 1.906 -0.379 1.00 0.00 C ATOM 258 C ALA A 17 3.195 1.612 -0.970 1.00 0.00 C ATOM 259 O ALA A 17 2.335 1.125 -0.266 1.00 0.00 O ATOM 260 CB ALA A 17 4.771 3.383 -0.027 1.00 0.00 C ATOM 0 H ALA A 17 6.064 2.255 -1.860 1.00 0.00 H new ATOM 0 HA ALA A 17 4.703 1.366 0.559 1.00 0.00 H new ATOM 0 HB1 ALA A 17 4.046 3.675 0.733 1.00 0.00 H new ATOM 0 HB2 ALA A 17 5.780 3.536 0.356 1.00 0.00 H new ATOM 0 HB3 ALA A 17 4.626 3.992 -0.919 1.00 0.00 H new ATOM 266 N SER A 18 3.021 1.888 -2.249 1.00 0.00 N ATOM 267 CA SER A 18 1.746 1.640 -2.996 1.00 0.00 C ATOM 268 C SER A 18 1.310 0.179 -2.820 1.00 0.00 C ATOM 269 O SER A 18 0.125 -0.097 -2.785 1.00 0.00 O ATOM 270 CB SER A 18 1.985 1.883 -4.490 1.00 0.00 C ATOM 271 OG SER A 18 0.764 2.278 -5.100 1.00 0.00 O ATOM 0 H SER A 18 3.754 2.296 -2.829 1.00 0.00 H new ATOM 0 HA SER A 18 0.976 2.309 -2.611 1.00 0.00 H new ATOM 0 HB2 SER A 18 2.741 2.656 -4.629 1.00 0.00 H new ATOM 0 HB3 SER A 18 2.365 0.977 -4.962 1.00 0.00 H new ATOM 0 HG SER A 18 0.912 2.436 -6.056 1.00 0.00 H new ATOM 277 N TYR A 19 2.262 -0.727 -2.705 1.00 0.00 N ATOM 278 CA TYR A 19 1.990 -2.182 -2.517 1.00 0.00 C ATOM 279 C TYR A 19 1.138 -2.313 -1.260 1.00 0.00 C ATOM 280 O TYR A 19 0.120 -2.980 -1.250 1.00 0.00 O ATOM 281 CB TYR A 19 3.312 -2.904 -2.255 1.00 0.00 C ATOM 282 CG TYR A 19 4.255 -2.865 -3.444 1.00 0.00 C ATOM 283 CD1 TYR A 19 3.895 -2.261 -4.662 1.00 0.00 C ATOM 284 CD2 TYR A 19 5.519 -3.449 -3.319 1.00 0.00 C ATOM 285 CE1 TYR A 19 4.787 -2.242 -5.738 1.00 0.00 C ATOM 286 CE2 TYR A 19 6.412 -3.431 -4.395 1.00 0.00 C ATOM 287 CZ TYR A 19 6.049 -2.829 -5.607 1.00 0.00 C ATOM 288 OH TYR A 19 6.929 -2.815 -6.670 1.00 0.00 O ATOM 0 H TYR A 19 3.255 -0.498 -2.736 1.00 0.00 H new ATOM 0 HA TYR A 19 1.498 -2.602 -3.394 1.00 0.00 H new ATOM 0 HB2 TYR A 19 3.803 -2.450 -1.394 1.00 0.00 H new ATOM 0 HB3 TYR A 19 3.107 -3.942 -1.995 1.00 0.00 H new ATOM 0 HD1 TYR A 19 2.920 -1.808 -4.767 1.00 0.00 H new ATOM 0 HD2 TYR A 19 5.807 -3.916 -2.388 1.00 0.00 H new ATOM 0 HE1 TYR A 19 4.502 -1.775 -6.669 1.00 0.00 H new ATOM 0 HE2 TYR A 19 7.387 -3.884 -4.291 1.00 0.00 H new ATOM 0 HH TYR A 19 7.761 -3.264 -6.412 1.00 0.00 H new ATOM 298 N VAL A 20 1.594 -1.650 -0.224 1.00 0.00 N ATOM 299 CA VAL A 20 0.892 -1.657 1.081 1.00 0.00 C ATOM 300 C VAL A 20 -0.441 -0.889 0.983 1.00 0.00 C ATOM 301 O VAL A 20 -1.426 -1.314 1.558 1.00 0.00 O ATOM 302 CB VAL A 20 1.821 -1.080 2.158 1.00 0.00 C ATOM 303 CG1 VAL A 20 1.047 -0.597 3.390 1.00 0.00 C ATOM 304 CG2 VAL A 20 2.816 -2.161 2.596 1.00 0.00 C ATOM 0 H VAL A 20 2.448 -1.092 -0.238 1.00 0.00 H new ATOM 0 HA VAL A 20 0.643 -2.680 1.363 1.00 0.00 H new ATOM 0 HB VAL A 20 2.337 -0.223 1.724 1.00 0.00 H new ATOM 0 HG11 VAL A 20 1.746 -0.197 4.125 1.00 0.00 H new ATOM 0 HG12 VAL A 20 0.344 0.182 3.096 1.00 0.00 H new ATOM 0 HG13 VAL A 20 0.500 -1.433 3.827 1.00 0.00 H new ATOM 0 HG21 VAL A 20 3.479 -1.757 3.361 1.00 0.00 H new ATOM 0 HG22 VAL A 20 2.272 -3.014 3.001 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.406 -2.482 1.737 1.00 0.00 H new ATOM 314 N ILE A 21 -0.475 0.219 0.269 1.00 0.00 N ATOM 315 CA ILE A 21 -1.714 1.045 0.107 1.00 0.00 C ATOM 316 C ILE A 21 -2.772 0.259 -0.679 1.00 0.00 C ATOM 317 O ILE A 21 -3.942 0.272 -0.333 1.00 0.00 O ATOM 318 CB ILE A 21 -1.397 2.344 -0.643 1.00 0.00 C ATOM 319 CG1 ILE A 21 -0.142 2.981 -0.040 1.00 0.00 C ATOM 320 CG2 ILE A 21 -2.575 3.307 -0.492 1.00 0.00 C ATOM 321 CD1 ILE A 21 -0.006 4.465 -0.388 1.00 0.00 C ATOM 0 H ILE A 21 0.336 0.593 -0.223 1.00 0.00 H new ATOM 0 HA ILE A 21 -2.097 1.285 1.099 1.00 0.00 H new ATOM 0 HB ILE A 21 -1.228 2.131 -1.698 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -0.167 2.867 1.044 1.00 0.00 H new ATOM 0 HG13 ILE A 21 0.739 2.446 -0.396 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -2.358 4.234 -1.023 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -3.473 2.852 -0.910 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -2.735 3.523 0.564 1.00 0.00 H new ATOM 0 HD11 ILE A 21 0.901 4.864 0.066 1.00 0.00 H new ATOM 0 HD12 ILE A 21 0.049 4.581 -1.470 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -0.871 5.009 -0.008 1.00 0.00 H new ATOM 333 N ASN A 22 -2.342 -0.411 -1.724 1.00 0.00 N ATOM 334 CA ASN A 22 -3.246 -1.225 -2.591 1.00 0.00 C ATOM 335 C ASN A 22 -3.557 -2.578 -1.933 1.00 0.00 C ATOM 336 O ASN A 22 -4.588 -3.159 -2.219 1.00 0.00 O ATOM 337 CB ASN A 22 -2.527 -1.503 -3.919 1.00 0.00 C ATOM 338 CG ASN A 22 -2.960 -0.516 -5.006 1.00 0.00 C ATOM 339 OD1 ASN A 22 -3.504 -0.904 -6.021 1.00 0.00 O ATOM 340 ND2 ASN A 22 -2.739 0.760 -4.839 1.00 0.00 N ATOM 0 H ASN A 22 -1.366 -0.425 -2.018 1.00 0.00 H new ATOM 0 HA ASN A 22 -4.174 -0.674 -2.744 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -1.449 -1.435 -3.772 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -2.741 -2.521 -4.244 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -3.023 1.425 -5.558 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -2.283 1.092 -3.989 1.00 0.00 H new ATOM 347 N GLY A 23 -2.686 -3.081 -1.085 1.00 0.00 N ATOM 348 CA GLY A 23 -2.892 -4.400 -0.413 1.00 0.00 C ATOM 349 C GLY A 23 -2.413 -5.484 -1.390 1.00 0.00 C ATOM 350 O GLY A 23 -3.000 -6.545 -1.487 1.00 0.00 O ATOM 0 H GLY A 23 -1.817 -2.614 -0.827 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -2.332 -4.448 0.521 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -3.943 -4.545 -0.162 1.00 0.00 H new ATOM 354 N LYS A 24 -1.350 -5.202 -2.113 1.00 0.00 N ATOM 355 CA LYS A 24 -0.746 -6.127 -3.118 1.00 0.00 C ATOM 356 C LYS A 24 0.689 -6.518 -2.733 1.00 0.00 C ATOM 357 O LYS A 24 1.387 -7.093 -3.547 1.00 0.00 O ATOM 358 CB LYS A 24 -0.687 -5.352 -4.426 1.00 0.00 C ATOM 359 CG LYS A 24 -1.832 -5.736 -5.367 1.00 0.00 C ATOM 360 CD LYS A 24 -2.360 -4.502 -6.106 1.00 0.00 C ATOM 361 CE LYS A 24 -2.456 -4.769 -7.615 1.00 0.00 C ATOM 362 NZ LYS A 24 -3.481 -5.816 -7.915 1.00 0.00 N ATOM 0 H LYS A 24 -0.854 -4.314 -2.036 1.00 0.00 H new ATOM 0 HA LYS A 24 -1.339 -7.039 -3.185 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -0.731 -4.283 -4.217 1.00 0.00 H new ATOM 0 HB3 LYS A 24 0.267 -5.542 -4.918 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -1.485 -6.477 -6.087 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -2.638 -6.198 -4.798 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -3.342 -4.232 -5.717 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -1.700 -3.654 -5.924 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -2.712 -3.846 -8.135 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -1.485 -5.088 -7.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -3.536 -5.963 -8.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -3.213 -6.707 -7.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -4.408 -5.506 -7.560 1.00 0.00 H new ATOM 376 N ALA A 25 1.124 -6.212 -1.530 1.00 0.00 N ATOM 377 CA ALA A 25 2.503 -6.530 -1.039 1.00 0.00 C ATOM 378 C ALA A 25 2.985 -7.931 -1.453 1.00 0.00 C ATOM 379 O ALA A 25 4.017 -8.034 -2.097 1.00 0.00 O ATOM 380 CB ALA A 25 2.540 -6.382 0.485 1.00 0.00 C ATOM 0 H ALA A 25 0.548 -5.732 -0.839 1.00 0.00 H new ATOM 0 HA ALA A 25 3.188 -5.823 -1.507 1.00 0.00 H new ATOM 0 HB1 ALA A 25 3.541 -6.612 0.849 1.00 0.00 H new ATOM 0 HB2 ALA A 25 2.281 -5.359 0.758 1.00 0.00 H new ATOM 0 HB3 ALA A 25 1.824 -7.070 0.935 1.00 0.00 H new ATOM 386 N LYS A 26 2.253 -8.968 -1.098 1.00 0.00 N ATOM 387 CA LYS A 26 2.613 -10.375 -1.445 1.00 0.00 C ATOM 388 C LYS A 26 2.746 -10.533 -2.972 1.00 0.00 C ATOM 389 O LYS A 26 3.606 -11.263 -3.429 1.00 0.00 O ATOM 390 CB LYS A 26 1.530 -11.319 -0.903 1.00 0.00 C ATOM 391 CG LYS A 26 2.074 -12.185 0.242 1.00 0.00 C ATOM 392 CD LYS A 26 1.360 -11.845 1.555 1.00 0.00 C ATOM 393 CE LYS A 26 1.647 -12.925 2.607 1.00 0.00 C ATOM 394 NZ LYS A 26 1.209 -12.485 3.967 1.00 0.00 N ATOM 0 H LYS A 26 1.389 -8.885 -0.562 1.00 0.00 H new ATOM 0 HA LYS A 26 3.572 -10.626 -0.993 1.00 0.00 H new ATOM 0 HB2 LYS A 26 0.679 -10.736 -0.550 1.00 0.00 H new ATOM 0 HB3 LYS A 26 1.166 -11.960 -1.706 1.00 0.00 H new ATOM 0 HG2 LYS A 26 1.933 -13.240 0.007 1.00 0.00 H new ATOM 0 HG3 LYS A 26 3.146 -12.023 0.351 1.00 0.00 H new ATOM 0 HD2 LYS A 26 1.695 -10.874 1.919 1.00 0.00 H new ATOM 0 HD3 LYS A 26 0.286 -11.769 1.385 1.00 0.00 H new ATOM 0 HE2 LYS A 26 1.131 -13.846 2.336 1.00 0.00 H new ATOM 0 HE3 LYS A 26 2.714 -13.149 2.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 0.759 -13.282 4.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 2.035 -12.162 4.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 0.528 -11.704 3.877 1.00 0.00 H new ATOM 408 N GLN A 27 1.913 -9.858 -3.736 1.00 0.00 N ATOM 409 CA GLN A 27 1.934 -9.914 -5.238 1.00 0.00 C ATOM 410 C GLN A 27 3.284 -9.445 -5.795 1.00 0.00 C ATOM 411 O GLN A 27 3.787 -10.003 -6.753 1.00 0.00 O ATOM 412 CB GLN A 27 0.922 -8.928 -5.837 1.00 0.00 C ATOM 413 CG GLN A 27 -0.482 -9.138 -5.268 1.00 0.00 C ATOM 414 CD GLN A 27 -1.514 -9.208 -6.399 1.00 0.00 C ATOM 415 OE1 GLN A 27 -2.435 -8.416 -6.459 1.00 0.00 O ATOM 416 NE2 GLN A 27 -1.411 -10.132 -7.314 1.00 0.00 N ATOM 0 H GLN A 27 1.189 -9.245 -3.362 1.00 0.00 H new ATOM 0 HA GLN A 27 1.717 -10.950 -5.496 1.00 0.00 H new ATOM 0 HB2 GLN A 27 1.247 -7.907 -5.636 1.00 0.00 H new ATOM 0 HB3 GLN A 27 0.897 -9.047 -6.920 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -0.510 -10.058 -4.684 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -0.732 -8.322 -4.590 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -0.644 -10.803 -7.277 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -2.098 -10.183 -8.067 1.00 0.00 H new ATOM 425 N TYR A 28 3.831 -8.416 -5.198 1.00 0.00 N ATOM 426 CA TYR A 28 5.122 -7.817 -5.621 1.00 0.00 C ATOM 427 C TYR A 28 6.299 -8.539 -4.946 1.00 0.00 C ATOM 428 O TYR A 28 6.713 -9.575 -5.435 1.00 0.00 O ATOM 429 CB TYR A 28 4.983 -6.333 -5.254 1.00 0.00 C ATOM 430 CG TYR A 28 3.845 -5.691 -6.023 1.00 0.00 C ATOM 431 CD1 TYR A 28 3.810 -5.755 -7.420 1.00 0.00 C ATOM 432 CD2 TYR A 28 2.825 -5.022 -5.338 1.00 0.00 C ATOM 433 CE1 TYR A 28 2.765 -5.156 -8.130 1.00 0.00 C ATOM 434 CE2 TYR A 28 1.782 -4.420 -6.048 1.00 0.00 C ATOM 435 CZ TYR A 28 1.748 -4.484 -7.443 1.00 0.00 C ATOM 436 OH TYR A 28 0.709 -3.884 -8.128 1.00 0.00 O ATOM 0 H TYR A 28 3.408 -7.949 -4.396 1.00 0.00 H new ATOM 0 HA TYR A 28 5.337 -7.920 -6.685 1.00 0.00 H new ATOM 0 HB2 TYR A 28 4.805 -6.234 -4.183 1.00 0.00 H new ATOM 0 HB3 TYR A 28 5.915 -5.811 -5.472 1.00 0.00 H new ATOM 0 HD1 TYR A 28 4.595 -6.270 -7.953 1.00 0.00 H new ATOM 0 HD2 TYR A 28 2.843 -4.971 -4.259 1.00 0.00 H new ATOM 0 HE1 TYR A 28 2.743 -5.212 -9.208 1.00 0.00 H new ATOM 0 HE2 TYR A 28 0.998 -3.903 -5.515 1.00 0.00 H new ATOM 0 HH TYR A 28 0.095 -3.466 -7.489 1.00 0.00 H new ATOM 446 N ARG A 29 6.826 -8.017 -3.858 1.00 0.00 N ATOM 447 CA ARG A 29 7.967 -8.645 -3.124 1.00 0.00 C ATOM 448 C ARG A 29 8.095 -8.092 -1.695 1.00 0.00 C ATOM 449 O ARG A 29 9.183 -7.949 -1.161 1.00 0.00 O ATOM 450 CB ARG A 29 9.274 -8.509 -3.921 1.00 0.00 C ATOM 451 CG ARG A 29 9.611 -9.844 -4.591 1.00 0.00 C ATOM 452 CD ARG A 29 11.128 -10.053 -4.650 1.00 0.00 C ATOM 453 NE ARG A 29 11.698 -9.308 -5.813 1.00 0.00 N ATOM 454 CZ ARG A 29 12.152 -9.957 -6.853 1.00 0.00 C ATOM 455 NH1 ARG A 29 11.332 -10.287 -7.817 1.00 0.00 N ATOM 456 NH2 ARG A 29 13.422 -10.268 -6.916 1.00 0.00 N ATOM 0 H ARG A 29 6.495 -7.148 -3.438 1.00 0.00 H new ATOM 0 HA ARG A 29 7.758 -9.710 -3.026 1.00 0.00 H new ATOM 0 HB2 ARG A 29 9.172 -7.728 -4.675 1.00 0.00 H new ATOM 0 HB3 ARG A 29 10.086 -8.208 -3.258 1.00 0.00 H new ATOM 0 HG2 ARG A 29 9.148 -10.661 -4.038 1.00 0.00 H new ATOM 0 HG3 ARG A 29 9.196 -9.866 -5.599 1.00 0.00 H new ATOM 0 HD2 ARG A 29 11.588 -9.707 -3.724 1.00 0.00 H new ATOM 0 HD3 ARG A 29 11.354 -11.115 -4.741 1.00 0.00 H new ATOM 0 HE ARG A 29 11.733 -8.289 -5.795 1.00 0.00 H new ATOM 0 HH11 ARG A 29 10.345 -10.038 -7.755 1.00 0.00 H new ATOM 0 HH12 ARG A 29 11.680 -10.793 -8.631 1.00 0.00 H new ATOM 0 HH21 ARG A 29 14.050 -10.004 -6.157 1.00 0.00 H new ATOM 0 HH22 ARG A 29 13.784 -10.774 -7.724 1.00 0.00 H new ATOM 470 N VAL A 30 6.979 -7.797 -1.076 1.00 0.00 N ATOM 471 CA VAL A 30 6.957 -7.266 0.319 1.00 0.00 C ATOM 472 C VAL A 30 5.924 -8.085 1.120 1.00 0.00 C ATOM 473 O VAL A 30 5.179 -7.564 1.927 1.00 0.00 O ATOM 474 CB VAL A 30 6.692 -5.744 0.310 1.00 0.00 C ATOM 475 CG1 VAL A 30 7.364 -5.039 -0.867 1.00 0.00 C ATOM 476 CG2 VAL A 30 5.217 -5.384 0.195 1.00 0.00 C ATOM 0 H VAL A 30 6.055 -7.906 -1.495 1.00 0.00 H new ATOM 0 HA VAL A 30 7.923 -7.381 0.811 1.00 0.00 H new ATOM 0 HB VAL A 30 7.099 -5.417 1.267 1.00 0.00 H new ATOM 0 HG11 VAL A 30 7.145 -3.972 -0.825 1.00 0.00 H new ATOM 0 HG12 VAL A 30 8.442 -5.191 -0.815 1.00 0.00 H new ATOM 0 HG13 VAL A 30 6.985 -5.450 -1.802 1.00 0.00 H new ATOM 0 HG21 VAL A 30 5.106 -4.300 0.195 1.00 0.00 H new ATOM 0 HG22 VAL A 30 4.815 -5.790 -0.733 1.00 0.00 H new ATOM 0 HG23 VAL A 30 4.673 -5.804 1.041 1.00 0.00 H new ATOM 486 N SER A 31 5.899 -9.379 0.871 1.00 0.00 N ATOM 487 CA SER A 31 4.990 -10.391 1.506 1.00 0.00 C ATOM 488 C SER A 31 4.556 -10.052 2.943 1.00 0.00 C ATOM 489 O SER A 31 3.390 -10.169 3.274 1.00 0.00 O ATOM 490 CB SER A 31 5.701 -11.749 1.435 1.00 0.00 C ATOM 491 OG SER A 31 4.857 -12.794 1.902 1.00 0.00 O ATOM 0 H SER A 31 6.531 -9.803 0.192 1.00 0.00 H new ATOM 0 HA SER A 31 4.051 -10.402 0.952 1.00 0.00 H new ATOM 0 HB2 SER A 31 6.002 -11.952 0.407 1.00 0.00 H new ATOM 0 HB3 SER A 31 6.612 -11.718 2.033 1.00 0.00 H new ATOM 0 HG SER A 31 5.333 -13.649 1.845 1.00 0.00 H new ATOM 497 N ASP A 32 5.493 -9.635 3.756 1.00 0.00 N ATOM 498 CA ASP A 32 5.232 -9.259 5.182 1.00 0.00 C ATOM 499 C ASP A 32 6.244 -8.232 5.706 1.00 0.00 C ATOM 500 O ASP A 32 5.862 -7.352 6.458 1.00 0.00 O ATOM 501 CB ASP A 32 5.225 -10.508 6.067 1.00 0.00 C ATOM 502 CG ASP A 32 3.802 -10.775 6.574 1.00 0.00 C ATOM 503 OD1 ASP A 32 3.450 -10.235 7.612 1.00 0.00 O ATOM 504 OD2 ASP A 32 3.084 -11.515 5.918 1.00 0.00 O ATOM 0 H ASP A 32 6.469 -9.536 3.478 1.00 0.00 H new ATOM 0 HA ASP A 32 4.250 -8.788 5.220 1.00 0.00 H new ATOM 0 HB2 ASP A 32 5.587 -11.367 5.503 1.00 0.00 H new ATOM 0 HB3 ASP A 32 5.902 -10.372 6.910 1.00 0.00 H new ATOM 509 N LYS A 33 7.495 -8.348 5.314 1.00 0.00 N ATOM 510 CA LYS A 33 8.609 -7.434 5.722 1.00 0.00 C ATOM 511 C LYS A 33 8.157 -5.969 5.670 1.00 0.00 C ATOM 512 O LYS A 33 8.242 -5.273 6.667 1.00 0.00 O ATOM 513 CB LYS A 33 9.775 -7.630 4.751 1.00 0.00 C ATOM 514 CG LYS A 33 10.441 -8.996 4.946 1.00 0.00 C ATOM 515 CD LYS A 33 10.204 -9.868 3.707 1.00 0.00 C ATOM 516 CE LYS A 33 11.545 -10.284 3.090 1.00 0.00 C ATOM 517 NZ LYS A 33 11.346 -11.378 2.093 1.00 0.00 N ATOM 0 H LYS A 33 7.802 -9.091 4.686 1.00 0.00 H new ATOM 0 HA LYS A 33 8.909 -7.669 6.743 1.00 0.00 H new ATOM 0 HB2 LYS A 33 9.415 -7.542 3.726 1.00 0.00 H new ATOM 0 HB3 LYS A 33 10.511 -6.840 4.900 1.00 0.00 H new ATOM 0 HG2 LYS A 33 11.510 -8.869 5.114 1.00 0.00 H new ATOM 0 HG3 LYS A 33 10.035 -9.486 5.831 1.00 0.00 H new ATOM 0 HD2 LYS A 33 9.631 -10.754 3.981 1.00 0.00 H new ATOM 0 HD3 LYS A 33 9.613 -9.319 2.974 1.00 0.00 H new ATOM 0 HE2 LYS A 33 12.012 -9.425 2.608 1.00 0.00 H new ATOM 0 HE3 LYS A 33 12.225 -10.618 3.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 12.264 -11.647 1.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 10.921 -12.203 2.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 10.715 -11.047 1.336 1.00 0.00 H new ATOM 531 N THR A 34 7.679 -5.513 4.532 1.00 0.00 N ATOM 532 CA THR A 34 7.207 -4.099 4.406 1.00 0.00 C ATOM 533 C THR A 34 5.744 -3.993 4.842 1.00 0.00 C ATOM 534 O THR A 34 5.335 -2.896 5.147 1.00 0.00 O ATOM 535 CB THR A 34 7.387 -3.533 2.982 1.00 0.00 C ATOM 536 OG1 THR A 34 8.227 -2.384 3.023 1.00 0.00 O ATOM 537 CG2 THR A 34 6.055 -3.145 2.311 1.00 0.00 C ATOM 0 H THR A 34 7.597 -6.068 3.680 1.00 0.00 H new ATOM 0 HA THR A 34 7.830 -3.494 5.065 1.00 0.00 H new ATOM 0 HB THR A 34 7.837 -4.329 2.388 1.00 0.00 H new ATOM 0 HG1 THR A 34 8.722 -2.310 2.180 1.00 0.00 H new ATOM 0 HG21 THR A 34 6.251 -2.754 1.313 1.00 0.00 H new ATOM 0 HG22 THR A 34 5.415 -4.024 2.237 1.00 0.00 H new ATOM 0 HG23 THR A 34 5.556 -2.382 2.908 1.00 0.00 H new ATOM 545 N VAL A 35 4.975 -5.065 4.871 1.00 0.00 N ATOM 546 CA VAL A 35 3.545 -4.985 5.289 1.00 0.00 C ATOM 547 C VAL A 35 3.514 -4.309 6.662 1.00 0.00 C ATOM 548 O VAL A 35 3.179 -3.149 6.735 1.00 0.00 O ATOM 549 CB VAL A 35 2.940 -6.397 5.298 1.00 0.00 C ATOM 550 CG1 VAL A 35 1.463 -6.359 5.673 1.00 0.00 C ATOM 551 CG2 VAL A 35 3.028 -6.984 3.894 1.00 0.00 C ATOM 0 H VAL A 35 5.290 -6.001 4.618 1.00 0.00 H new ATOM 0 HA VAL A 35 2.941 -4.396 4.599 1.00 0.00 H new ATOM 0 HB VAL A 35 3.492 -6.993 6.024 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.061 -7.372 5.671 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.351 -5.926 6.667 1.00 0.00 H new ATOM 0 HG13 VAL A 35 0.919 -5.752 4.949 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.601 -7.987 3.891 1.00 0.00 H new ATOM 0 HG22 VAL A 35 2.474 -6.352 3.200 1.00 0.00 H new ATOM 0 HG23 VAL A 35 4.072 -7.034 3.585 1.00 0.00 H new ATOM 561 N GLU A 36 3.868 -4.989 7.723 1.00 0.00 N ATOM 562 CA GLU A 36 3.863 -4.358 9.088 1.00 0.00 C ATOM 563 C GLU A 36 4.631 -3.016 9.080 1.00 0.00 C ATOM 564 O GLU A 36 4.221 -2.066 9.724 1.00 0.00 O ATOM 565 CB GLU A 36 4.462 -5.356 10.090 1.00 0.00 C ATOM 566 CG GLU A 36 4.375 -4.820 11.523 1.00 0.00 C ATOM 567 CD GLU A 36 4.984 -5.827 12.506 1.00 0.00 C ATOM 568 OE1 GLU A 36 4.255 -6.683 12.983 1.00 0.00 O ATOM 569 OE2 GLU A 36 6.172 -5.727 12.771 1.00 0.00 O ATOM 0 H GLU A 36 4.164 -5.965 7.706 1.00 0.00 H new ATOM 0 HA GLU A 36 2.841 -4.127 9.387 1.00 0.00 H new ATOM 0 HB2 GLU A 36 3.933 -6.307 10.021 1.00 0.00 H new ATOM 0 HB3 GLU A 36 5.503 -5.552 9.834 1.00 0.00 H new ATOM 0 HG2 GLU A 36 4.901 -3.868 11.595 1.00 0.00 H new ATOM 0 HG3 GLU A 36 3.334 -4.630 11.785 1.00 0.00 H new ATOM 576 N LYS A 37 5.724 -2.956 8.352 1.00 0.00 N ATOM 577 CA LYS A 37 6.596 -1.741 8.218 1.00 0.00 C ATOM 578 C LYS A 37 5.860 -0.542 7.583 1.00 0.00 C ATOM 579 O LYS A 37 5.637 0.465 8.228 1.00 0.00 O ATOM 580 CB LYS A 37 7.783 -2.140 7.327 1.00 0.00 C ATOM 581 CG LYS A 37 8.942 -1.153 7.460 1.00 0.00 C ATOM 582 CD LYS A 37 9.333 -0.651 6.068 1.00 0.00 C ATOM 583 CE LYS A 37 10.482 0.353 6.197 1.00 0.00 C ATOM 584 NZ LYS A 37 11.485 0.167 5.105 1.00 0.00 N ATOM 0 H LYS A 37 6.065 -3.752 7.813 1.00 0.00 H new ATOM 0 HA LYS A 37 6.910 -1.419 9.211 1.00 0.00 H new ATOM 0 HB2 LYS A 37 8.123 -3.140 7.598 1.00 0.00 H new ATOM 0 HB3 LYS A 37 7.459 -2.184 6.287 1.00 0.00 H new ATOM 0 HG2 LYS A 37 8.652 -0.315 8.094 1.00 0.00 H new ATOM 0 HG3 LYS A 37 9.794 -1.635 7.939 1.00 0.00 H new ATOM 0 HD2 LYS A 37 9.635 -1.488 5.438 1.00 0.00 H new ATOM 0 HD3 LYS A 37 8.477 -0.181 5.584 1.00 0.00 H new ATOM 0 HE2 LYS A 37 10.087 1.368 6.163 1.00 0.00 H new ATOM 0 HE3 LYS A 37 10.968 0.232 7.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 12.427 0.443 5.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 11.501 -0.832 4.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 11.226 0.760 4.291 1.00 0.00 H new ATOM 598 N VAL A 38 5.506 -0.667 6.324 1.00 0.00 N ATOM 599 CA VAL A 38 4.794 0.376 5.518 1.00 0.00 C ATOM 600 C VAL A 38 3.313 0.482 5.898 1.00 0.00 C ATOM 601 O VAL A 38 2.769 1.574 5.857 1.00 0.00 O ATOM 602 CB VAL A 38 4.973 0.011 4.033 1.00 0.00 C ATOM 603 CG1 VAL A 38 4.033 0.774 3.101 1.00 0.00 C ATOM 604 CG2 VAL A 38 6.400 0.313 3.590 1.00 0.00 C ATOM 0 H VAL A 38 5.699 -1.514 5.789 1.00 0.00 H new ATOM 0 HA VAL A 38 5.220 1.358 5.721 1.00 0.00 H new ATOM 0 HB VAL A 38 4.740 -1.051 3.960 1.00 0.00 H new ATOM 0 HG11 VAL A 38 4.214 0.467 2.071 1.00 0.00 H new ATOM 0 HG12 VAL A 38 2.999 0.555 3.368 1.00 0.00 H new ATOM 0 HG13 VAL A 38 4.214 1.844 3.198 1.00 0.00 H new ATOM 0 HG21 VAL A 38 6.517 0.052 2.538 1.00 0.00 H new ATOM 0 HG22 VAL A 38 6.606 1.375 3.725 1.00 0.00 H new ATOM 0 HG23 VAL A 38 7.098 -0.271 4.189 1.00 0.00 H new ATOM 614 N MET A 39 2.662 -0.609 6.259 1.00 0.00 N ATOM 615 CA MET A 39 1.210 -0.546 6.639 1.00 0.00 C ATOM 616 C MET A 39 1.026 0.378 7.849 1.00 0.00 C ATOM 617 O MET A 39 -0.013 1.002 7.982 1.00 0.00 O ATOM 618 CB MET A 39 0.644 -1.929 6.974 1.00 0.00 C ATOM 619 CG MET A 39 0.715 -2.898 5.782 1.00 0.00 C ATOM 620 SD MET A 39 -0.850 -2.929 4.878 1.00 0.00 S ATOM 621 CE MET A 39 -0.195 -3.760 3.410 1.00 0.00 C ATOM 0 H MET A 39 3.077 -1.539 6.306 1.00 0.00 H new ATOM 0 HA MET A 39 0.666 -0.156 5.779 1.00 0.00 H new ATOM 0 HB2 MET A 39 1.196 -2.350 7.814 1.00 0.00 H new ATOM 0 HB3 MET A 39 -0.393 -1.826 7.293 1.00 0.00 H new ATOM 0 HG2 MET A 39 1.520 -2.597 5.112 1.00 0.00 H new ATOM 0 HG3 MET A 39 0.954 -3.900 6.137 1.00 0.00 H new ATOM 0 HE1 MET A 39 -0.620 -3.306 2.515 1.00 0.00 H new ATOM 0 HE2 MET A 39 0.890 -3.658 3.388 1.00 0.00 H new ATOM 0 HE3 MET A 39 -0.460 -4.817 3.442 1.00 0.00 H new ATOM 631 N ALA A 40 2.024 0.461 8.702 1.00 0.00 N ATOM 632 CA ALA A 40 1.991 1.326 9.922 1.00 0.00 C ATOM 633 C ALA A 40 1.678 2.788 9.569 1.00 0.00 C ATOM 634 O ALA A 40 1.049 3.450 10.367 1.00 0.00 O ATOM 635 CB ALA A 40 3.353 1.275 10.621 1.00 0.00 C ATOM 0 H ALA A 40 2.894 -0.059 8.593 1.00 0.00 H new ATOM 0 HA ALA A 40 1.205 0.948 10.576 1.00 0.00 H new ATOM 0 HB1 ALA A 40 3.330 1.905 11.510 1.00 0.00 H new ATOM 0 HB2 ALA A 40 3.575 0.248 10.910 1.00 0.00 H new ATOM 0 HB3 ALA A 40 4.125 1.636 9.941 1.00 0.00 H new ATOM 641 N VAL A 41 2.094 3.283 8.421 1.00 0.00 N ATOM 642 CA VAL A 41 1.825 4.694 8.012 1.00 0.00 C ATOM 643 C VAL A 41 0.516 4.739 7.206 1.00 0.00 C ATOM 644 O VAL A 41 -0.337 5.562 7.473 1.00 0.00 O ATOM 645 CB VAL A 41 3.072 5.191 7.249 1.00 0.00 C ATOM 646 CG1 VAL A 41 2.788 5.633 5.813 1.00 0.00 C ATOM 647 CG2 VAL A 41 3.705 6.344 8.030 1.00 0.00 C ATOM 0 H VAL A 41 2.624 2.746 7.735 1.00 0.00 H new ATOM 0 HA VAL A 41 1.670 5.367 8.856 1.00 0.00 H new ATOM 0 HB VAL A 41 3.753 4.344 7.172 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.714 5.968 5.346 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.379 4.795 5.249 1.00 0.00 H new ATOM 0 HG13 VAL A 41 2.068 6.452 5.820 1.00 0.00 H new ATOM 0 HG21 VAL A 41 4.587 6.702 7.499 1.00 0.00 H new ATOM 0 HG22 VAL A 41 2.985 7.156 8.127 1.00 0.00 H new ATOM 0 HG23 VAL A 41 3.995 5.996 9.021 1.00 0.00 H new ATOM 657 N VAL A 42 0.355 3.863 6.240 1.00 0.00 N ATOM 658 CA VAL A 42 -0.886 3.822 5.399 1.00 0.00 C ATOM 659 C VAL A 42 -2.120 3.686 6.300 1.00 0.00 C ATOM 660 O VAL A 42 -3.067 4.431 6.128 1.00 0.00 O ATOM 661 CB VAL A 42 -0.786 2.656 4.402 1.00 0.00 C ATOM 662 CG1 VAL A 42 -2.069 2.498 3.579 1.00 0.00 C ATOM 663 CG2 VAL A 42 0.383 2.901 3.443 1.00 0.00 C ATOM 0 H VAL A 42 1.050 3.158 5.994 1.00 0.00 H new ATOM 0 HA VAL A 42 -0.986 4.749 4.834 1.00 0.00 H new ATOM 0 HB VAL A 42 -0.630 1.744 4.978 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -1.957 1.663 2.887 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -2.908 2.305 4.247 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -2.256 3.413 3.017 1.00 0.00 H new ATOM 0 HG21 VAL A 42 0.453 2.074 2.736 1.00 0.00 H new ATOM 0 HG22 VAL A 42 0.218 3.831 2.898 1.00 0.00 H new ATOM 0 HG23 VAL A 42 1.311 2.973 4.011 1.00 0.00 H new ATOM 673 N ARG A 43 -2.107 2.762 7.231 1.00 0.00 N ATOM 674 CA ARG A 43 -3.256 2.560 8.147 1.00 0.00 C ATOM 675 C ARG A 43 -3.247 3.545 9.331 1.00 0.00 C ATOM 676 O ARG A 43 -4.251 3.647 10.014 1.00 0.00 O ATOM 677 CB ARG A 43 -3.252 1.106 8.622 1.00 0.00 C ATOM 678 CG ARG A 43 -3.414 0.147 7.436 1.00 0.00 C ATOM 679 CD ARG A 43 -4.472 -0.920 7.733 1.00 0.00 C ATOM 680 NE ARG A 43 -3.968 -1.870 8.769 1.00 0.00 N ATOM 681 CZ ARG A 43 -4.794 -2.401 9.632 1.00 0.00 C ATOM 682 NH1 ARG A 43 -5.192 -1.704 10.666 1.00 0.00 N ATOM 683 NH2 ARG A 43 -5.215 -3.627 9.451 1.00 0.00 N ATOM 0 H ARG A 43 -1.325 2.128 7.392 1.00 0.00 H new ATOM 0 HA ARG A 43 -4.178 2.766 7.603 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -2.320 0.892 9.145 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -4.061 0.949 9.336 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -3.699 0.708 6.546 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -2.460 -0.333 7.219 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -5.390 -0.446 8.080 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -4.718 -1.463 6.820 1.00 0.00 H new ATOM 0 HE ARG A 43 -2.976 -2.105 8.803 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -4.858 -0.749 10.797 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -5.836 -2.116 11.341 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -4.899 -4.161 8.641 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -5.860 -4.049 10.120 1.00 0.00 H new ATOM 697 N GLU A 44 -2.166 4.257 9.566 1.00 0.00 N ATOM 698 CA GLU A 44 -2.082 5.247 10.684 1.00 0.00 C ATOM 699 C GLU A 44 -2.873 6.470 10.215 1.00 0.00 C ATOM 700 O GLU A 44 -3.696 7.002 10.938 1.00 0.00 O ATOM 701 CB GLU A 44 -0.602 5.579 10.960 1.00 0.00 C ATOM 702 CG GLU A 44 -0.337 7.047 11.332 1.00 0.00 C ATOM 703 CD GLU A 44 -0.761 7.360 12.775 1.00 0.00 C ATOM 704 OE1 GLU A 44 -0.088 6.903 13.685 1.00 0.00 O ATOM 705 OE2 GLU A 44 -1.750 8.056 12.947 1.00 0.00 O ATOM 0 H GLU A 44 -1.314 4.187 9.009 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.496 4.870 11.619 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -0.245 4.942 11.769 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -0.016 5.330 10.076 1.00 0.00 H new ATOM 0 HG2 GLU A 44 0.724 7.266 11.210 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -0.878 7.698 10.646 1.00 0.00 H new ATOM 712 N HIS A 45 -2.611 6.892 9.001 1.00 0.00 N ATOM 713 CA HIS A 45 -3.294 8.064 8.394 1.00 0.00 C ATOM 714 C HIS A 45 -4.613 7.645 7.720 1.00 0.00 C ATOM 715 O HIS A 45 -5.432 8.495 7.425 1.00 0.00 O ATOM 716 CB HIS A 45 -2.316 8.650 7.382 1.00 0.00 C ATOM 717 CG HIS A 45 -1.019 9.005 8.063 1.00 0.00 C ATOM 718 ND1 HIS A 45 -0.873 10.084 8.920 1.00 0.00 N ATOM 719 CD2 HIS A 45 0.211 8.399 8.021 1.00 0.00 C ATOM 720 CE1 HIS A 45 0.402 10.087 9.350 1.00 0.00 C ATOM 721 NE2 HIS A 45 1.109 9.083 8.833 1.00 0.00 N ATOM 0 H HIS A 45 -1.925 6.451 8.389 1.00 0.00 H new ATOM 0 HA HIS A 45 -3.561 8.802 9.150 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -2.132 7.931 6.584 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -2.748 9.537 6.919 1.00 0.00 H new ATOM 0 HD1 HIS A 45 -1.599 10.753 9.178 1.00 0.00 H new ATOM 0 HD2 HIS A 45 0.447 7.519 7.442 1.00 0.00 H new ATOM 0 HE1 HIS A 45 0.805 10.818 10.035 1.00 0.00 H new ATOM 729 N ASN A 46 -4.805 6.361 7.484 1.00 0.00 N ATOM 730 CA ASN A 46 -6.028 5.777 6.839 1.00 0.00 C ATOM 731 C ASN A 46 -6.053 6.031 5.323 1.00 0.00 C ATOM 732 O ASN A 46 -7.100 5.948 4.698 1.00 0.00 O ATOM 733 CB ASN A 46 -7.280 6.356 7.502 1.00 0.00 C ATOM 734 CG ASN A 46 -8.455 5.372 7.438 1.00 0.00 C ATOM 735 OD1 ASN A 46 -8.570 4.497 8.271 1.00 0.00 O ATOM 736 ND2 ASN A 46 -9.345 5.467 6.484 1.00 0.00 N ATOM 0 H ASN A 46 -4.113 5.654 7.732 1.00 0.00 H new ATOM 0 HA ASN A 46 -6.005 4.697 6.982 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -7.063 6.599 8.542 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -7.557 7.288 7.009 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -10.124 4.810 6.446 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -9.260 6.198 5.778 1.00 0.00 H new ATOM 743 N TYR A 47 -4.917 6.330 4.733 1.00 0.00 N ATOM 744 CA TYR A 47 -4.839 6.587 3.263 1.00 0.00 C ATOM 745 C TYR A 47 -5.145 5.274 2.534 1.00 0.00 C ATOM 746 O TYR A 47 -4.382 4.325 2.601 1.00 0.00 O ATOM 747 CB TYR A 47 -3.441 7.087 2.896 1.00 0.00 C ATOM 748 CG TYR A 47 -3.396 7.479 1.439 1.00 0.00 C ATOM 749 CD1 TYR A 47 -4.060 8.627 0.994 1.00 0.00 C ATOM 750 CD2 TYR A 47 -2.685 6.684 0.536 1.00 0.00 C ATOM 751 CE1 TYR A 47 -4.013 8.980 -0.360 1.00 0.00 C ATOM 752 CE2 TYR A 47 -2.635 7.034 -0.817 1.00 0.00 C ATOM 753 CZ TYR A 47 -3.300 8.184 -1.265 1.00 0.00 C ATOM 754 OH TYR A 47 -3.253 8.533 -2.599 1.00 0.00 O ATOM 0 H TYR A 47 -4.025 6.407 5.222 1.00 0.00 H new ATOM 0 HA TYR A 47 -5.560 7.351 2.971 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -3.177 7.942 3.519 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -2.704 6.308 3.094 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -4.608 9.240 1.694 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -2.174 5.798 0.883 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -4.526 9.865 -0.706 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -2.085 6.420 -1.515 1.00 0.00 H new ATOM 0 HH TYR A 47 -2.717 7.876 -3.090 1.00 0.00 H new ATOM 764 N HIS A 48 -6.265 5.238 1.857 1.00 0.00 N ATOM 765 CA HIS A 48 -6.709 4.026 1.099 1.00 0.00 C ATOM 766 C HIS A 48 -7.394 4.423 -0.220 1.00 0.00 C ATOM 767 O HIS A 48 -8.072 5.437 -0.267 1.00 0.00 O ATOM 768 CB HIS A 48 -7.698 3.235 1.965 1.00 0.00 C ATOM 769 CG HIS A 48 -7.063 1.973 2.488 1.00 0.00 C ATOM 770 ND1 HIS A 48 -5.813 1.952 3.088 1.00 0.00 N ATOM 771 CD2 HIS A 48 -7.504 0.674 2.502 1.00 0.00 C ATOM 772 CE1 HIS A 48 -5.549 0.681 3.435 1.00 0.00 C ATOM 773 NE2 HIS A 48 -6.546 -0.140 3.101 1.00 0.00 N ATOM 0 H HIS A 48 -6.911 6.025 1.796 1.00 0.00 H new ATOM 0 HA HIS A 48 -5.835 3.418 0.864 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -8.032 3.852 2.799 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -8.583 2.986 1.379 1.00 0.00 H new ATOM 0 HD1 HIS A 48 -5.204 2.756 3.239 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -8.451 0.334 2.108 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -4.640 0.363 3.925 1.00 0.00 H new ATOM 781 N PRO A 49 -7.206 3.614 -1.245 1.00 0.00 N ATOM 782 CA PRO A 49 -7.803 3.854 -2.590 1.00 0.00 C ATOM 783 C PRO A 49 -9.306 3.539 -2.555 1.00 0.00 C ATOM 784 O PRO A 49 -9.696 2.432 -2.223 1.00 0.00 O ATOM 785 CB PRO A 49 -7.011 2.916 -3.508 1.00 0.00 C ATOM 786 CG PRO A 49 -6.472 1.792 -2.614 1.00 0.00 C ATOM 787 CD PRO A 49 -6.388 2.368 -1.196 1.00 0.00 C ATOM 0 HA PRO A 49 -7.738 4.886 -2.934 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -7.648 2.514 -4.296 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -6.195 3.448 -3.997 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -7.131 0.924 -2.642 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -5.492 1.460 -2.957 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -6.779 1.666 -0.460 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -5.357 2.582 -0.916 1.00 0.00 H new ATOM 795 N ASN A 50 -10.121 4.519 -2.890 1.00 0.00 N ATOM 796 CA ASN A 50 -11.615 4.395 -2.904 1.00 0.00 C ATOM 797 C ASN A 50 -12.117 4.312 -1.452 1.00 0.00 C ATOM 798 O ASN A 50 -12.502 3.262 -0.959 1.00 0.00 O ATOM 799 CB ASN A 50 -12.064 3.188 -3.748 1.00 0.00 C ATOM 800 CG ASN A 50 -13.566 3.279 -4.042 1.00 0.00 C ATOM 801 OD1 ASN A 50 -13.965 3.840 -5.043 1.00 0.00 O ATOM 802 ND2 ASN A 50 -14.428 2.755 -3.213 1.00 0.00 N ATOM 0 H ASN A 50 -9.789 5.443 -3.167 1.00 0.00 H new ATOM 0 HA ASN A 50 -12.056 5.274 -3.375 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -11.504 3.160 -4.683 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -11.845 2.262 -3.217 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -15.427 2.819 -3.408 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -14.102 2.282 -2.370 1.00 0.00 H new ATOM 809 N ALA A 51 -12.101 5.441 -0.773 1.00 0.00 N ATOM 810 CA ALA A 51 -12.543 5.560 0.646 1.00 0.00 C ATOM 811 C ALA A 51 -13.994 5.106 0.846 1.00 0.00 C ATOM 812 O ALA A 51 -14.869 5.366 0.037 1.00 0.00 O ATOM 813 CB ALA A 51 -12.409 7.006 1.134 1.00 0.00 C ATOM 0 H ALA A 51 -11.782 6.323 -1.173 1.00 0.00 H new ATOM 0 HA ALA A 51 -11.894 4.904 1.226 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -12.737 7.072 2.172 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -11.368 7.319 1.062 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -13.027 7.657 0.516 1.00 0.00 H new ATOM 819 N VAL A 52 -14.210 4.429 1.945 1.00 0.00 N ATOM 820 CA VAL A 52 -15.548 3.900 2.330 1.00 0.00 C ATOM 821 C VAL A 52 -16.060 4.709 3.532 1.00 0.00 C ATOM 822 O VAL A 52 -15.864 4.352 4.683 1.00 0.00 O ATOM 823 CB VAL A 52 -15.486 2.399 2.658 1.00 0.00 C ATOM 824 CG1 VAL A 52 -16.882 1.778 2.535 1.00 0.00 C ATOM 825 CG2 VAL A 52 -14.538 1.654 1.710 1.00 0.00 C ATOM 0 H VAL A 52 -13.476 4.214 2.620 1.00 0.00 H new ATOM 0 HA VAL A 52 -16.237 4.007 1.492 1.00 0.00 H new ATOM 0 HB VAL A 52 -15.113 2.304 3.678 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -16.829 0.715 2.769 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -17.561 2.269 3.231 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -17.249 1.908 1.517 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -14.519 0.596 1.971 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -14.886 1.768 0.683 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -13.534 2.068 1.800 1.00 0.00 H new ATOM 835 N ALA A 53 -16.717 5.803 3.235 1.00 0.00 N ATOM 836 CA ALA A 53 -17.286 6.714 4.281 1.00 0.00 C ATOM 837 C ALA A 53 -18.699 6.264 4.687 1.00 0.00 C ATOM 838 O ALA A 53 -19.311 5.450 4.017 1.00 0.00 O ATOM 839 CB ALA A 53 -17.334 8.146 3.736 1.00 0.00 C ATOM 0 H ALA A 53 -16.889 6.113 2.279 1.00 0.00 H new ATOM 0 HA ALA A 53 -16.648 6.676 5.164 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -17.747 8.810 4.495 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -16.326 8.471 3.479 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -17.963 8.176 2.846 1.00 0.00 H new ATOM 845 N ALA A 54 -19.202 6.798 5.783 1.00 0.00 N ATOM 846 CA ALA A 54 -20.563 6.459 6.309 1.00 0.00 C ATOM 847 C ALA A 54 -21.687 6.805 5.314 1.00 0.00 C ATOM 848 O ALA A 54 -21.461 7.465 4.311 1.00 0.00 O ATOM 849 CB ALA A 54 -20.802 7.205 7.627 1.00 0.00 C ATOM 0 H ALA A 54 -18.701 7.480 6.352 1.00 0.00 H new ATOM 0 HA ALA A 54 -20.590 5.381 6.467 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -21.792 6.959 8.010 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -20.047 6.908 8.355 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -20.737 8.279 7.454 1.00 0.00 H new ATOM 855 N GLY A 55 -22.893 6.359 5.597 1.00 0.00 N ATOM 856 CA GLY A 55 -24.068 6.628 4.709 1.00 0.00 C ATOM 857 C GLY A 55 -24.601 5.319 4.118 1.00 0.00 C ATOM 858 O GLY A 55 -25.802 5.123 4.072 1.00 0.00 O ATOM 0 H GLY A 55 -23.113 5.807 6.426 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -24.855 7.125 5.277 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -23.778 7.305 3.906 1.00 0.00 H new ATOM 862 N LEU A 56 -23.724 4.442 3.676 1.00 0.00 N ATOM 863 CA LEU A 56 -24.128 3.132 3.079 1.00 0.00 C ATOM 864 C LEU A 56 -24.112 2.012 4.143 1.00 0.00 C ATOM 865 O LEU A 56 -23.680 0.902 3.880 1.00 0.00 O ATOM 866 CB LEU A 56 -23.163 2.842 1.916 1.00 0.00 C ATOM 867 CG LEU A 56 -23.928 2.815 0.590 1.00 0.00 C ATOM 868 CD1 LEU A 56 -22.946 2.983 -0.573 1.00 0.00 C ATOM 869 CD2 LEU A 56 -24.667 1.482 0.441 1.00 0.00 C ATOM 0 H LEU A 56 -22.715 4.590 3.708 1.00 0.00 H new ATOM 0 HA LEU A 56 -25.151 3.174 2.705 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -22.385 3.605 1.880 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -22.665 1.886 2.077 1.00 0.00 H new ATOM 0 HG LEU A 56 -24.651 3.631 0.580 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -23.492 2.964 -1.516 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -22.425 3.936 -0.475 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -22.221 2.170 -0.557 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -25.209 1.470 -0.505 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -23.948 0.663 0.457 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -25.371 1.362 1.264 1.00 0.00 H new ATOM 881 N ARG A 57 -24.586 2.298 5.339 1.00 0.00 N ATOM 882 CA ARG A 57 -24.624 1.290 6.447 1.00 0.00 C ATOM 883 C ARG A 57 -25.840 0.366 6.289 1.00 0.00 C ATOM 884 O ARG A 57 -25.696 -0.841 6.396 1.00 0.00 O ATOM 885 CB ARG A 57 -24.696 2.010 7.801 1.00 0.00 C ATOM 886 CG ARG A 57 -23.372 2.728 8.086 1.00 0.00 C ATOM 887 CD ARG A 57 -22.391 1.768 8.764 1.00 0.00 C ATOM 888 NE ARG A 57 -22.712 1.664 10.217 1.00 0.00 N ATOM 889 CZ ARG A 57 -22.083 2.413 11.087 1.00 0.00 C ATOM 890 NH1 ARG A 57 -20.947 2.002 11.590 1.00 0.00 N ATOM 891 NH2 ARG A 57 -22.596 3.563 11.444 1.00 0.00 N ATOM 0 H ARG A 57 -24.957 3.213 5.595 1.00 0.00 H new ATOM 0 HA ARG A 57 -23.717 0.688 6.403 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -25.515 2.729 7.796 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -24.907 1.292 8.593 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -22.944 3.102 7.156 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -23.548 3.593 8.726 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -22.449 0.784 8.298 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -21.369 2.124 8.632 1.00 0.00 H new ATOM 0 HE ARG A 57 -23.425 1.007 10.534 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -20.558 1.104 11.304 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -20.451 2.580 12.268 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -23.482 3.872 11.045 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -22.110 4.150 12.122 1.00 0.00 H new ATOM 905 N LEU A 58 -27.004 0.934 6.043 1.00 0.00 N ATOM 906 CA LEU A 58 -28.283 0.177 5.863 1.00 0.00 C ATOM 907 C LEU A 58 -28.723 -0.477 7.182 1.00 0.00 C ATOM 908 O LEU A 58 -28.109 -1.423 7.646 1.00 0.00 O ATOM 909 CB LEU A 58 -28.134 -0.870 4.749 1.00 0.00 C ATOM 910 CG LEU A 58 -29.266 -0.714 3.730 1.00 0.00 C ATOM 911 CD1 LEU A 58 -28.901 -1.454 2.441 1.00 0.00 C ATOM 912 CD2 LEU A 58 -30.562 -1.296 4.302 1.00 0.00 C ATOM 0 H LEU A 58 -27.118 1.944 5.957 1.00 0.00 H new ATOM 0 HA LEU A 58 -29.061 0.881 5.567 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -27.170 -0.753 4.255 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -28.153 -1.873 5.176 1.00 0.00 H new ATOM 0 HG LEU A 58 -29.410 0.345 3.514 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -29.708 -1.342 1.716 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -27.983 -1.036 2.029 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -28.753 -2.512 2.658 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -31.365 -1.183 3.573 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -30.419 -2.354 4.523 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -30.826 -0.766 5.217 1.00 0.00 H new ATOM 924 N GLN A 59 -29.782 0.046 7.766 1.00 0.00 N ATOM 925 CA GLN A 59 -30.358 -0.453 9.056 1.00 0.00 C ATOM 926 C GLN A 59 -29.360 -0.218 10.210 1.00 0.00 C ATOM 927 O GLN A 59 -28.584 -1.100 10.554 1.00 0.00 O ATOM 928 CB GLN A 59 -30.777 -1.926 8.886 1.00 0.00 C ATOM 929 CG GLN A 59 -31.789 -2.329 9.964 1.00 0.00 C ATOM 930 CD GLN A 59 -32.543 -3.594 9.534 1.00 0.00 C ATOM 931 OE1 GLN A 59 -33.751 -3.580 9.407 1.00 0.00 O ATOM 932 NE2 GLN A 59 -31.889 -4.702 9.301 1.00 0.00 N ATOM 0 H GLN A 59 -30.292 0.839 7.376 1.00 0.00 H new ATOM 0 HA GLN A 59 -31.257 0.104 9.321 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -31.213 -2.074 7.898 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -29.899 -2.568 8.946 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -31.275 -2.506 10.908 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -32.495 -1.516 10.133 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -30.875 -4.727 9.404 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -32.393 -5.542 9.016 1.00 0.00 H new TER 941 GLN A 59