USER MOD reduce.3.24.130724 H: found=0, std=0, add=483, rem=0, adj=12 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -168:sc= 0 (180deg=-0.153) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 76:sc= 1.1 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -0.0543 X(o=-0.054,f=-0.42) USER MOD Single : A 18 LYS NZ :NH3+ -145:sc= -0.37 (180deg=-1.87!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= -4.83! C(o=-4.8!,f=-4.5!) USER MOD Single : A 52 HIS : no HD1:sc= -1.43! K(o=-1.4!,f=-0.58) USER MOD Single : A 53 HIS : no HD1:sc= -1.24! C(o=-1.2!,f=-2.8!) USER MOD Single : A 54 HIS : no HD1:sc= -1.9! C(o=-1.9!,f=-4.3!) USER MOD Single : A 55 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 56 HIS : no HD1:sc= -0.119 X(o=-0.12,f=-0.43) USER MOD Single : A 57 HIS : no HE2:sc= -0.159 K(o=-0.16,f=-2.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.455 -43.766 -5.418 1.00 0.00 N ATOM 2 CA MET A 1 11.869 -43.161 -6.609 1.00 0.00 C ATOM 3 C MET A 1 10.459 -42.660 -6.317 1.00 0.00 C ATOM 4 O MET A 1 10.055 -41.598 -6.792 1.00 0.00 O ATOM 5 CB MET A 1 11.825 -44.184 -7.746 1.00 0.00 C ATOM 6 CG MET A 1 11.014 -43.617 -8.912 1.00 0.00 C ATOM 7 SD MET A 1 11.744 -42.049 -9.448 1.00 0.00 S ATOM 8 CE MET A 1 10.741 -41.829 -10.938 1.00 0.00 C ATOM 0 H1 MET A 1 13.473 -43.916 -5.570 1.00 0.00 H new ATOM 0 H2 MET A 1 12.316 -43.134 -4.604 1.00 0.00 H new ATOM 0 H3 MET A 1 11.995 -44.679 -5.230 1.00 0.00 H new ATOM 0 HA MET A 1 12.488 -42.314 -6.906 1.00 0.00 H new ATOM 0 HB2 MET A 1 12.837 -44.422 -8.075 1.00 0.00 H new ATOM 0 HB3 MET A 1 11.377 -45.114 -7.396 1.00 0.00 H new ATOM 0 HG2 MET A 1 11.002 -44.326 -9.739 1.00 0.00 H new ATOM 0 HG3 MET A 1 9.979 -43.463 -8.608 1.00 0.00 H new ATOM 0 HE1 MET A 1 11.029 -40.904 -11.437 1.00 0.00 H new ATOM 0 HE2 MET A 1 10.902 -42.670 -11.612 1.00 0.00 H new ATOM 0 HE3 MET A 1 9.687 -41.780 -10.663 1.00 0.00 H new ATOM 18 N THR A 2 9.712 -43.430 -5.532 1.00 0.00 N ATOM 19 CA THR A 2 8.347 -43.052 -5.182 1.00 0.00 C ATOM 20 C THR A 2 8.347 -41.996 -4.083 1.00 0.00 C ATOM 21 O THR A 2 7.507 -41.097 -4.074 1.00 0.00 O ATOM 22 CB THR A 2 7.569 -44.283 -4.709 1.00 0.00 C ATOM 23 OG1 THR A 2 7.861 -45.381 -5.562 1.00 0.00 O ATOM 24 CG2 THR A 2 6.069 -43.988 -4.749 1.00 0.00 C ATOM 0 H THR A 2 10.026 -44.313 -5.129 1.00 0.00 H new ATOM 0 HA THR A 2 7.867 -42.637 -6.068 1.00 0.00 H new ATOM 0 HB THR A 2 7.861 -44.528 -3.688 1.00 0.00 H new ATOM 0 HG1 THR A 2 7.365 -46.171 -5.260 1.00 0.00 H new ATOM 0 HG21 THR A 2 5.517 -44.865 -4.412 1.00 0.00 H new ATOM 0 HG22 THR A 2 5.846 -43.145 -4.094 1.00 0.00 H new ATOM 0 HG23 THR A 2 5.773 -43.743 -5.769 1.00 0.00 H new ATOM 32 N TYR A 3 9.294 -42.110 -3.157 1.00 0.00 N ATOM 33 CA TYR A 3 9.392 -41.157 -2.056 1.00 0.00 C ATOM 34 C TYR A 3 9.501 -39.733 -2.591 1.00 0.00 C ATOM 35 O TYR A 3 8.764 -38.843 -2.168 1.00 0.00 O ATOM 36 CB TYR A 3 10.614 -41.476 -1.194 1.00 0.00 C ATOM 37 CG TYR A 3 10.190 -42.305 -0.006 1.00 0.00 C ATOM 38 CD1 TYR A 3 9.329 -41.761 0.955 1.00 0.00 C ATOM 39 CD2 TYR A 3 10.657 -43.618 0.135 1.00 0.00 C ATOM 40 CE1 TYR A 3 8.936 -42.530 2.057 1.00 0.00 C ATOM 41 CE2 TYR A 3 10.263 -44.386 1.236 1.00 0.00 C ATOM 42 CZ TYR A 3 9.403 -43.842 2.198 1.00 0.00 C ATOM 43 OH TYR A 3 9.014 -44.599 3.283 1.00 0.00 O ATOM 0 H TYR A 3 10.000 -42.847 -3.146 1.00 0.00 H new ATOM 0 HA TYR A 3 8.491 -41.238 -1.449 1.00 0.00 H new ATOM 0 HB2 TYR A 3 11.356 -42.017 -1.782 1.00 0.00 H new ATOM 0 HB3 TYR A 3 11.085 -40.553 -0.857 1.00 0.00 H new ATOM 0 HD1 TYR A 3 8.968 -40.749 0.846 1.00 0.00 H new ATOM 0 HD2 TYR A 3 11.321 -44.037 -0.606 1.00 0.00 H new ATOM 0 HE1 TYR A 3 8.272 -42.111 2.799 1.00 0.00 H new ATOM 0 HE2 TYR A 3 10.622 -45.399 1.344 1.00 0.00 H new ATOM 0 HH TYR A 3 9.427 -45.486 3.228 1.00 0.00 H new ATOM 53 N PHE A 4 10.424 -39.524 -3.523 1.00 0.00 N ATOM 54 CA PHE A 4 10.617 -38.202 -4.107 1.00 0.00 C ATOM 55 C PHE A 4 9.276 -37.494 -4.267 1.00 0.00 C ATOM 56 O PHE A 4 9.139 -36.318 -3.926 1.00 0.00 O ATOM 57 CB PHE A 4 11.300 -38.324 -5.470 1.00 0.00 C ATOM 58 CG PHE A 4 11.815 -36.971 -5.897 1.00 0.00 C ATOM 59 CD1 PHE A 4 12.785 -36.316 -5.127 1.00 0.00 C ATOM 60 CD2 PHE A 4 11.323 -36.370 -7.061 1.00 0.00 C ATOM 61 CE1 PHE A 4 13.262 -35.061 -5.522 1.00 0.00 C ATOM 62 CE2 PHE A 4 11.801 -35.114 -7.455 1.00 0.00 C ATOM 63 CZ PHE A 4 12.770 -34.460 -6.686 1.00 0.00 C ATOM 0 H PHE A 4 11.045 -40.246 -3.888 1.00 0.00 H new ATOM 0 HA PHE A 4 11.250 -37.617 -3.440 1.00 0.00 H new ATOM 0 HB2 PHE A 4 12.122 -39.037 -5.414 1.00 0.00 H new ATOM 0 HB3 PHE A 4 10.596 -38.707 -6.209 1.00 0.00 H new ATOM 0 HD1 PHE A 4 13.165 -36.780 -4.229 1.00 0.00 H new ATOM 0 HD2 PHE A 4 10.575 -36.874 -7.655 1.00 0.00 H new ATOM 0 HE1 PHE A 4 14.010 -34.556 -4.928 1.00 0.00 H new ATOM 0 HE2 PHE A 4 11.421 -34.650 -8.353 1.00 0.00 H new ATOM 0 HZ PHE A 4 13.138 -33.492 -6.991 1.00 0.00 H new ATOM 73 N TYR A 5 8.289 -38.218 -4.784 1.00 0.00 N ATOM 74 CA TYR A 5 6.960 -37.651 -4.981 1.00 0.00 C ATOM 75 C TYR A 5 6.312 -37.331 -3.639 1.00 0.00 C ATOM 76 O TYR A 5 5.930 -36.191 -3.378 1.00 0.00 O ATOM 77 CB TYR A 5 6.079 -38.636 -5.750 1.00 0.00 C ATOM 78 CG TYR A 5 6.495 -38.663 -7.202 1.00 0.00 C ATOM 79 CD1 TYR A 5 6.175 -37.591 -8.043 1.00 0.00 C ATOM 80 CD2 TYR A 5 7.198 -39.763 -7.708 1.00 0.00 C ATOM 81 CE1 TYR A 5 6.559 -37.617 -9.389 1.00 0.00 C ATOM 82 CE2 TYR A 5 7.583 -39.789 -9.054 1.00 0.00 C ATOM 83 CZ TYR A 5 7.263 -38.717 -9.894 1.00 0.00 C ATOM 84 OH TYR A 5 7.641 -38.743 -11.222 1.00 0.00 O ATOM 0 H TYR A 5 8.383 -39.192 -5.072 1.00 0.00 H new ATOM 0 HA TYR A 5 7.061 -36.730 -5.555 1.00 0.00 H new ATOM 0 HB2 TYR A 5 6.168 -39.633 -5.318 1.00 0.00 H new ATOM 0 HB3 TYR A 5 5.032 -38.344 -5.667 1.00 0.00 H new ATOM 0 HD1 TYR A 5 5.631 -36.743 -7.653 1.00 0.00 H new ATOM 0 HD2 TYR A 5 7.443 -40.592 -7.060 1.00 0.00 H new ATOM 0 HE1 TYR A 5 6.312 -36.789 -10.037 1.00 0.00 H new ATOM 0 HE2 TYR A 5 8.127 -40.637 -9.444 1.00 0.00 H new ATOM 0 HH TYR A 5 8.122 -39.576 -11.409 1.00 0.00 H new ATOM 94 N VAL A 6 6.193 -38.347 -2.789 1.00 0.00 N ATOM 95 CA VAL A 6 5.590 -38.163 -1.474 1.00 0.00 C ATOM 96 C VAL A 6 6.247 -36.997 -0.743 1.00 0.00 C ATOM 97 O VAL A 6 5.653 -36.403 0.156 1.00 0.00 O ATOM 98 CB VAL A 6 5.742 -39.439 -0.646 1.00 0.00 C ATOM 99 CG1 VAL A 6 5.338 -39.155 0.802 1.00 0.00 C ATOM 100 CG2 VAL A 6 4.838 -40.533 -1.222 1.00 0.00 C ATOM 0 H VAL A 6 6.504 -39.299 -2.985 1.00 0.00 H new ATOM 0 HA VAL A 6 4.531 -37.943 -1.608 1.00 0.00 H new ATOM 0 HB VAL A 6 6.779 -39.772 -0.677 1.00 0.00 H new ATOM 0 HG11 VAL A 6 5.445 -40.063 1.395 1.00 0.00 H new ATOM 0 HG12 VAL A 6 5.980 -38.376 1.213 1.00 0.00 H new ATOM 0 HG13 VAL A 6 4.300 -38.823 0.832 1.00 0.00 H new ATOM 0 HG21 VAL A 6 4.946 -41.443 -0.632 1.00 0.00 H new ATOM 0 HG22 VAL A 6 3.800 -40.201 -1.190 1.00 0.00 H new ATOM 0 HG23 VAL A 6 5.123 -40.734 -2.255 1.00 0.00 H new ATOM 110 N THR A 7 7.475 -36.678 -1.135 1.00 0.00 N ATOM 111 CA THR A 7 8.205 -35.581 -0.511 1.00 0.00 C ATOM 112 C THR A 7 7.998 -34.286 -1.291 1.00 0.00 C ATOM 113 O THR A 7 8.183 -33.193 -0.757 1.00 0.00 O ATOM 114 CB THR A 7 9.698 -35.912 -0.454 1.00 0.00 C ATOM 115 OG1 THR A 7 9.866 -37.321 -0.380 1.00 0.00 O ATOM 116 CG2 THR A 7 10.324 -35.256 0.778 1.00 0.00 C ATOM 0 H THR A 7 7.983 -37.160 -1.877 1.00 0.00 H new ATOM 0 HA THR A 7 7.824 -35.446 0.501 1.00 0.00 H new ATOM 0 HB THR A 7 10.188 -35.533 -1.351 1.00 0.00 H new ATOM 0 HG1 THR A 7 9.711 -37.716 -1.263 1.00 0.00 H new ATOM 0 HG21 THR A 7 11.387 -35.493 0.816 1.00 0.00 H new ATOM 0 HG22 THR A 7 10.195 -34.175 0.720 1.00 0.00 H new ATOM 0 HG23 THR A 7 9.836 -35.631 1.678 1.00 0.00 H new ATOM 124 N ASP A 8 7.612 -34.418 -2.556 1.00 0.00 N ATOM 125 CA ASP A 8 7.383 -33.249 -3.398 1.00 0.00 C ATOM 126 C ASP A 8 6.071 -32.575 -3.027 1.00 0.00 C ATOM 127 O ASP A 8 5.862 -31.393 -3.305 1.00 0.00 O ATOM 128 CB ASP A 8 7.352 -33.657 -4.872 1.00 0.00 C ATOM 129 CG ASP A 8 7.766 -32.479 -5.746 1.00 0.00 C ATOM 130 OD1 ASP A 8 8.192 -31.478 -5.194 1.00 0.00 O ATOM 131 OD2 ASP A 8 7.651 -32.594 -6.955 1.00 0.00 O ATOM 0 H ASP A 8 7.452 -35.314 -3.017 1.00 0.00 H new ATOM 0 HA ASP A 8 8.200 -32.546 -3.238 1.00 0.00 H new ATOM 0 HB2 ASP A 8 8.024 -34.499 -5.039 1.00 0.00 H new ATOM 0 HB3 ASP A 8 6.350 -33.989 -5.145 1.00 0.00 H new ATOM 136 N TYR A 9 5.196 -33.337 -2.396 1.00 0.00 N ATOM 137 CA TYR A 9 3.898 -32.820 -1.981 1.00 0.00 C ATOM 138 C TYR A 9 4.062 -31.808 -0.850 1.00 0.00 C ATOM 139 O TYR A 9 3.150 -31.035 -0.559 1.00 0.00 O ATOM 140 CB TYR A 9 3.001 -33.970 -1.515 1.00 0.00 C ATOM 141 CG TYR A 9 1.610 -33.781 -2.073 1.00 0.00 C ATOM 142 CD1 TYR A 9 1.293 -34.277 -3.344 1.00 0.00 C ATOM 143 CD2 TYR A 9 0.640 -33.110 -1.321 1.00 0.00 C ATOM 144 CE1 TYR A 9 0.004 -34.101 -3.862 1.00 0.00 C ATOM 145 CE2 TYR A 9 -0.650 -32.934 -1.838 1.00 0.00 C ATOM 146 CZ TYR A 9 -0.967 -33.429 -3.109 1.00 0.00 C ATOM 147 OH TYR A 9 -2.237 -33.255 -3.619 1.00 0.00 O ATOM 0 H TYR A 9 5.357 -34.316 -2.158 1.00 0.00 H new ATOM 0 HA TYR A 9 3.436 -32.323 -2.834 1.00 0.00 H new ATOM 0 HB2 TYR A 9 3.411 -34.923 -1.848 1.00 0.00 H new ATOM 0 HB3 TYR A 9 2.967 -34.000 -0.426 1.00 0.00 H new ATOM 0 HD1 TYR A 9 2.042 -34.795 -3.924 1.00 0.00 H new ATOM 0 HD2 TYR A 9 0.886 -32.727 -0.341 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -0.241 -34.483 -4.842 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -1.399 -32.417 -1.257 1.00 0.00 H new ATOM 0 HH TYR A 9 -2.787 -32.770 -2.969 1.00 0.00 H new ATOM 157 N LEU A 10 5.232 -31.820 -0.218 1.00 0.00 N ATOM 158 CA LEU A 10 5.505 -30.897 0.880 1.00 0.00 C ATOM 159 C LEU A 10 6.078 -29.586 0.350 1.00 0.00 C ATOM 160 O LEU A 10 6.917 -28.958 0.998 1.00 0.00 O ATOM 161 CB LEU A 10 6.498 -31.526 1.859 1.00 0.00 C ATOM 162 CG LEU A 10 6.100 -32.978 2.131 1.00 0.00 C ATOM 163 CD1 LEU A 10 7.143 -33.631 3.041 1.00 0.00 C ATOM 164 CD2 LEU A 10 4.733 -33.011 2.818 1.00 0.00 C ATOM 0 H LEU A 10 6.000 -32.452 -0.444 1.00 0.00 H new ATOM 0 HA LEU A 10 4.567 -30.691 1.395 1.00 0.00 H new ATOM 0 HB2 LEU A 10 7.506 -31.486 1.446 1.00 0.00 H new ATOM 0 HB3 LEU A 10 6.512 -30.961 2.791 1.00 0.00 H new ATOM 0 HG LEU A 10 6.047 -33.523 1.189 1.00 0.00 H new ATOM 0 HD11 LEU A 10 6.860 -34.666 3.235 1.00 0.00 H new ATOM 0 HD12 LEU A 10 8.118 -33.607 2.553 1.00 0.00 H new ATOM 0 HD13 LEU A 10 7.195 -33.086 3.984 1.00 0.00 H new ATOM 0 HD21 LEU A 10 4.448 -34.045 3.012 1.00 0.00 H new ATOM 0 HD22 LEU A 10 4.786 -32.466 3.760 1.00 0.00 H new ATOM 0 HD23 LEU A 10 3.989 -32.545 2.171 1.00 0.00 H new ATOM 176 N ASP A 11 5.620 -29.175 -0.828 1.00 0.00 N ATOM 177 CA ASP A 11 6.094 -27.937 -1.431 1.00 0.00 C ATOM 178 C ASP A 11 4.926 -27.146 -2.006 1.00 0.00 C ATOM 179 O ASP A 11 4.137 -27.666 -2.794 1.00 0.00 O ATOM 180 CB ASP A 11 7.103 -28.246 -2.540 1.00 0.00 C ATOM 181 CG ASP A 11 8.494 -27.776 -2.127 1.00 0.00 C ATOM 182 OD1 ASP A 11 8.675 -26.578 -1.985 1.00 0.00 O ATOM 183 OD2 ASP A 11 9.357 -28.622 -1.960 1.00 0.00 O ATOM 0 H ASP A 11 4.926 -29.678 -1.380 1.00 0.00 H new ATOM 0 HA ASP A 11 6.580 -27.340 -0.660 1.00 0.00 H new ATOM 0 HB2 ASP A 11 7.117 -29.317 -2.742 1.00 0.00 H new ATOM 0 HB3 ASP A 11 6.803 -27.752 -3.464 1.00 0.00 H new ATOM 188 N VAL A 12 4.827 -25.885 -1.610 1.00 0.00 N ATOM 189 CA VAL A 12 3.755 -25.024 -2.092 1.00 0.00 C ATOM 190 C VAL A 12 4.223 -24.210 -3.294 1.00 0.00 C ATOM 191 O VAL A 12 5.401 -23.867 -3.403 1.00 0.00 O ATOM 192 CB VAL A 12 3.303 -24.079 -0.978 1.00 0.00 C ATOM 193 CG1 VAL A 12 1.969 -24.563 -0.404 1.00 0.00 C ATOM 194 CG2 VAL A 12 4.356 -24.061 0.132 1.00 0.00 C ATOM 0 H VAL A 12 5.472 -25.437 -0.960 1.00 0.00 H new ATOM 0 HA VAL A 12 2.918 -25.652 -2.396 1.00 0.00 H new ATOM 0 HB VAL A 12 3.181 -23.074 -1.383 1.00 0.00 H new ATOM 0 HG11 VAL A 12 1.648 -23.888 0.390 1.00 0.00 H new ATOM 0 HG12 VAL A 12 1.217 -24.578 -1.193 1.00 0.00 H new ATOM 0 HG13 VAL A 12 2.090 -25.568 0.001 1.00 0.00 H new ATOM 0 HG21 VAL A 12 4.035 -23.388 0.927 1.00 0.00 H new ATOM 0 HG22 VAL A 12 4.477 -25.067 0.535 1.00 0.00 H new ATOM 0 HG23 VAL A 12 5.307 -23.716 -0.274 1.00 0.00 H new ATOM 204 N PRO A 13 3.325 -23.898 -4.189 1.00 0.00 N ATOM 205 CA PRO A 13 3.646 -23.106 -5.413 1.00 0.00 C ATOM 206 C PRO A 13 3.957 -21.647 -5.088 1.00 0.00 C ATOM 207 O PRO A 13 3.251 -21.011 -4.306 1.00 0.00 O ATOM 208 CB PRO A 13 2.377 -23.219 -6.263 1.00 0.00 C ATOM 209 CG PRO A 13 1.275 -23.509 -5.298 1.00 0.00 C ATOM 210 CD PRO A 13 1.903 -24.268 -4.131 1.00 0.00 C ATOM 0 HA PRO A 13 4.536 -23.478 -5.920 1.00 0.00 H new ATOM 0 HB2 PRO A 13 2.187 -22.295 -6.809 1.00 0.00 H new ATOM 0 HB3 PRO A 13 2.470 -24.014 -7.003 1.00 0.00 H new ATOM 0 HG2 PRO A 13 0.809 -22.586 -4.953 1.00 0.00 H new ATOM 0 HG3 PRO A 13 0.493 -24.103 -5.771 1.00 0.00 H new ATOM 0 HD2 PRO A 13 1.454 -23.980 -3.180 1.00 0.00 H new ATOM 0 HD3 PRO A 13 1.766 -25.344 -4.235 1.00 0.00 H new ATOM 218 N SER A 14 5.019 -21.125 -5.695 1.00 0.00 N ATOM 219 CA SER A 14 5.414 -19.741 -5.464 1.00 0.00 C ATOM 220 C SER A 14 4.305 -18.790 -5.897 1.00 0.00 C ATOM 221 O SER A 14 4.320 -17.605 -5.557 1.00 0.00 O ATOM 222 CB SER A 14 6.695 -19.425 -6.237 1.00 0.00 C ATOM 223 OG SER A 14 7.640 -18.831 -5.357 1.00 0.00 O ATOM 0 H SER A 14 5.617 -21.635 -6.345 1.00 0.00 H new ATOM 0 HA SER A 14 5.595 -19.608 -4.397 1.00 0.00 H new ATOM 0 HB2 SER A 14 7.107 -20.337 -6.670 1.00 0.00 H new ATOM 0 HB3 SER A 14 6.477 -18.750 -7.065 1.00 0.00 H new ATOM 0 HG SER A 14 8.463 -18.629 -5.849 1.00 0.00 H new ATOM 229 N ASN A 15 3.339 -19.315 -6.641 1.00 0.00 N ATOM 230 CA ASN A 15 2.228 -18.497 -7.102 1.00 0.00 C ATOM 231 C ASN A 15 1.530 -17.854 -5.909 1.00 0.00 C ATOM 232 O ASN A 15 0.943 -16.779 -6.026 1.00 0.00 O ATOM 233 CB ASN A 15 1.230 -19.352 -7.886 1.00 0.00 C ATOM 234 CG ASN A 15 0.446 -18.477 -8.860 1.00 0.00 C ATOM 235 OD1 ASN A 15 1.037 -17.706 -9.616 1.00 0.00 O ATOM 236 ND2 ASN A 15 -0.856 -18.551 -8.888 1.00 0.00 N ATOM 0 H ASN A 15 3.303 -20.291 -6.934 1.00 0.00 H new ATOM 0 HA ASN A 15 2.615 -17.716 -7.757 1.00 0.00 H new ATOM 0 HB2 ASN A 15 1.758 -20.134 -8.431 1.00 0.00 H new ATOM 0 HB3 ASN A 15 0.545 -19.849 -7.199 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -1.386 -17.969 -9.537 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -1.344 -19.190 -8.261 1.00 0.00 H new ATOM 243 N ILE A 16 1.606 -18.520 -4.760 1.00 0.00 N ATOM 244 CA ILE A 16 0.987 -18.000 -3.548 1.00 0.00 C ATOM 245 C ILE A 16 1.835 -16.885 -2.963 1.00 0.00 C ATOM 246 O ILE A 16 1.354 -16.041 -2.211 1.00 0.00 O ATOM 247 CB ILE A 16 0.811 -19.119 -2.519 1.00 0.00 C ATOM 248 CG1 ILE A 16 -0.074 -20.221 -3.109 1.00 0.00 C ATOM 249 CG2 ILE A 16 0.149 -18.559 -1.259 1.00 0.00 C ATOM 250 CD1 ILE A 16 0.209 -21.542 -2.392 1.00 0.00 C ATOM 0 H ILE A 16 2.086 -19.413 -4.644 1.00 0.00 H new ATOM 0 HA ILE A 16 0.006 -17.600 -3.803 1.00 0.00 H new ATOM 0 HB ILE A 16 1.787 -19.531 -2.264 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -1.125 -19.954 -3.001 1.00 0.00 H new ATOM 0 HG13 ILE A 16 0.120 -20.326 -4.176 1.00 0.00 H new ATOM 0 HG21 ILE A 16 0.025 -19.358 -0.528 1.00 0.00 H new ATOM 0 HG22 ILE A 16 0.777 -17.774 -0.836 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -0.827 -18.145 -1.514 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -0.421 -22.326 -2.812 1.00 0.00 H new ATOM 0 HD12 ILE A 16 1.257 -21.810 -2.523 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -0.008 -21.433 -1.329 1.00 0.00 H new ATOM 262 N ALA A 17 3.096 -16.899 -3.332 1.00 0.00 N ATOM 263 CA ALA A 17 4.045 -15.892 -2.872 1.00 0.00 C ATOM 264 C ALA A 17 3.843 -14.588 -3.635 1.00 0.00 C ATOM 265 O ALA A 17 4.141 -13.504 -3.134 1.00 0.00 O ATOM 266 CB ALA A 17 5.474 -16.390 -3.083 1.00 0.00 C ATOM 0 H ALA A 17 3.497 -17.600 -3.955 1.00 0.00 H new ATOM 0 HA ALA A 17 3.876 -15.713 -1.810 1.00 0.00 H new ATOM 0 HB1 ALA A 17 6.178 -15.633 -2.737 1.00 0.00 H new ATOM 0 HB2 ALA A 17 5.625 -17.311 -2.519 1.00 0.00 H new ATOM 0 HB3 ALA A 17 5.640 -16.582 -4.143 1.00 0.00 H new ATOM 272 N LYS A 18 3.326 -14.713 -4.850 1.00 0.00 N ATOM 273 CA LYS A 18 3.071 -13.554 -5.696 1.00 0.00 C ATOM 274 C LYS A 18 1.672 -13.042 -5.426 1.00 0.00 C ATOM 275 O LYS A 18 1.389 -11.851 -5.545 1.00 0.00 O ATOM 276 CB LYS A 18 3.211 -13.936 -7.172 1.00 0.00 C ATOM 277 CG LYS A 18 3.119 -12.680 -8.040 1.00 0.00 C ATOM 278 CD LYS A 18 2.985 -13.085 -9.509 1.00 0.00 C ATOM 279 CE LYS A 18 2.239 -11.992 -10.277 1.00 0.00 C ATOM 280 NZ LYS A 18 0.930 -11.726 -9.615 1.00 0.00 N ATOM 0 H LYS A 18 3.075 -15.607 -5.273 1.00 0.00 H new ATOM 0 HA LYS A 18 3.797 -12.774 -5.469 1.00 0.00 H new ATOM 0 HB2 LYS A 18 4.165 -14.436 -7.339 1.00 0.00 H new ATOM 0 HB3 LYS A 18 2.428 -14.641 -7.451 1.00 0.00 H new ATOM 0 HG2 LYS A 18 2.262 -12.078 -7.738 1.00 0.00 H new ATOM 0 HG3 LYS A 18 4.007 -12.063 -7.901 1.00 0.00 H new ATOM 0 HD2 LYS A 18 3.972 -13.241 -9.945 1.00 0.00 H new ATOM 0 HD3 LYS A 18 2.448 -14.030 -9.589 1.00 0.00 H new ATOM 0 HE2 LYS A 18 2.836 -11.081 -10.306 1.00 0.00 H new ATOM 0 HE3 LYS A 18 2.080 -12.302 -11.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 0.216 -11.498 -10.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 0.631 -12.570 -9.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 1.029 -10.924 -8.960 1.00 0.00 H new ATOM 294 N ILE A 19 0.810 -13.966 -5.033 1.00 0.00 N ATOM 295 CA ILE A 19 -0.565 -13.629 -4.709 1.00 0.00 C ATOM 296 C ILE A 19 -0.626 -13.169 -3.265 1.00 0.00 C ATOM 297 O ILE A 19 -1.587 -12.531 -2.837 1.00 0.00 O ATOM 298 CB ILE A 19 -1.470 -14.848 -4.898 1.00 0.00 C ATOM 299 CG1 ILE A 19 -1.634 -15.142 -6.392 1.00 0.00 C ATOM 300 CG2 ILE A 19 -2.841 -14.568 -4.281 1.00 0.00 C ATOM 301 CD1 ILE A 19 -2.215 -13.915 -7.098 1.00 0.00 C ATOM 0 H ILE A 19 1.039 -14.955 -4.931 1.00 0.00 H new ATOM 0 HA ILE A 19 -0.910 -12.835 -5.372 1.00 0.00 H new ATOM 0 HB ILE A 19 -1.019 -15.710 -4.407 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.670 -15.403 -6.829 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -2.291 -16.000 -6.534 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -3.485 -15.437 -4.416 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -2.726 -14.364 -3.217 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -3.290 -13.704 -4.770 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -2.330 -14.127 -8.161 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -3.187 -13.674 -6.668 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -1.542 -13.068 -6.968 1.00 0.00 H new ATOM 313 N ILE A 20 0.423 -13.505 -2.519 1.00 0.00 N ATOM 314 CA ILE A 20 0.500 -13.127 -1.112 1.00 0.00 C ATOM 315 C ILE A 20 0.995 -11.689 -0.969 1.00 0.00 C ATOM 316 O ILE A 20 0.396 -10.885 -0.256 1.00 0.00 O ATOM 317 CB ILE A 20 1.445 -14.075 -0.368 1.00 0.00 C ATOM 318 CG1 ILE A 20 0.661 -15.301 0.108 1.00 0.00 C ATOM 319 CG2 ILE A 20 2.048 -13.359 0.845 1.00 0.00 C ATOM 320 CD1 ILE A 20 -0.017 -14.988 1.443 1.00 0.00 C ATOM 0 H ILE A 20 1.225 -14.034 -2.862 1.00 0.00 H new ATOM 0 HA ILE A 20 -0.498 -13.198 -0.680 1.00 0.00 H new ATOM 0 HB ILE A 20 2.246 -14.386 -1.039 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -0.087 -15.579 -0.635 1.00 0.00 H new ATOM 0 HG13 ILE A 20 1.331 -16.153 0.220 1.00 0.00 H new ATOM 0 HG21 ILE A 20 2.720 -14.037 1.371 1.00 0.00 H new ATOM 0 HG22 ILE A 20 2.605 -12.484 0.511 1.00 0.00 H new ATOM 0 HG23 ILE A 20 1.249 -13.046 1.517 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -0.575 -15.861 1.781 1.00 0.00 H new ATOM 0 HD12 ILE A 20 0.740 -14.732 2.184 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -0.700 -14.148 1.316 1.00 0.00 H new ATOM 332 N ILE A 21 2.093 -11.375 -1.650 1.00 0.00 N ATOM 333 CA ILE A 21 2.660 -10.033 -1.586 1.00 0.00 C ATOM 334 C ILE A 21 2.025 -9.123 -2.634 1.00 0.00 C ATOM 335 O ILE A 21 1.756 -7.952 -2.370 1.00 0.00 O ATOM 336 CB ILE A 21 4.173 -10.095 -1.810 1.00 0.00 C ATOM 337 CG1 ILE A 21 4.806 -8.763 -1.396 1.00 0.00 C ATOM 338 CG2 ILE A 21 4.461 -10.360 -3.290 1.00 0.00 C ATOM 339 CD1 ILE A 21 5.923 -9.021 -0.383 1.00 0.00 C ATOM 0 H ILE A 21 2.604 -12.025 -2.247 1.00 0.00 H new ATOM 0 HA ILE A 21 2.453 -9.622 -0.598 1.00 0.00 H new ATOM 0 HB ILE A 21 4.596 -10.900 -1.209 1.00 0.00 H new ATOM 0 HG12 ILE A 21 5.206 -8.251 -2.271 1.00 0.00 H new ATOM 0 HG13 ILE A 21 4.050 -8.109 -0.961 1.00 0.00 H new ATOM 0 HG21 ILE A 21 5.538 -10.404 -3.449 1.00 0.00 H new ATOM 0 HG22 ILE A 21 4.012 -11.309 -3.584 1.00 0.00 H new ATOM 0 HG23 ILE A 21 4.038 -9.556 -3.893 1.00 0.00 H new ATOM 0 HD11 ILE A 21 6.373 -8.073 -0.089 1.00 0.00 H new ATOM 0 HD12 ILE A 21 5.510 -9.515 0.496 1.00 0.00 H new ATOM 0 HD13 ILE A 21 6.683 -9.659 -0.834 1.00 0.00 H new ATOM 351 N GLY A 22 1.787 -9.670 -3.822 1.00 0.00 N ATOM 352 CA GLY A 22 1.183 -8.895 -4.902 1.00 0.00 C ATOM 353 C GLY A 22 0.151 -7.906 -4.367 1.00 0.00 C ATOM 354 O GLY A 22 0.222 -6.705 -4.638 1.00 0.00 O ATOM 0 H GLY A 22 2.001 -10.638 -4.061 1.00 0.00 H new ATOM 0 HA2 GLY A 22 1.960 -8.355 -5.443 1.00 0.00 H new ATOM 0 HA3 GLY A 22 0.708 -9.569 -5.614 1.00 0.00 H new ATOM 358 N PRO A 23 -0.803 -8.387 -3.614 1.00 0.00 N ATOM 359 CA PRO A 23 -1.876 -7.530 -3.031 1.00 0.00 C ATOM 360 C PRO A 23 -1.303 -6.342 -2.263 1.00 0.00 C ATOM 361 O PRO A 23 -1.844 -5.239 -2.317 1.00 0.00 O ATOM 362 CB PRO A 23 -2.635 -8.472 -2.093 1.00 0.00 C ATOM 363 CG PRO A 23 -2.348 -9.849 -2.593 1.00 0.00 C ATOM 364 CD PRO A 23 -0.966 -9.800 -3.241 1.00 0.00 C ATOM 0 HA PRO A 23 -2.512 -7.093 -3.801 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -2.302 -8.351 -1.062 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -3.705 -8.264 -2.109 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -2.367 -10.570 -1.775 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -3.103 -10.164 -3.314 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -0.188 -10.123 -2.549 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -0.909 -10.453 -4.112 1.00 0.00 H new ATOM 372 N LEU A 24 -0.200 -6.570 -1.557 1.00 0.00 N ATOM 373 CA LEU A 24 0.431 -5.499 -0.797 1.00 0.00 C ATOM 374 C LEU A 24 1.151 -4.550 -1.740 1.00 0.00 C ATOM 375 O LEU A 24 1.147 -3.336 -1.538 1.00 0.00 O ATOM 376 CB LEU A 24 1.415 -6.076 0.220 1.00 0.00 C ATOM 377 CG LEU A 24 1.183 -5.424 1.584 1.00 0.00 C ATOM 378 CD1 LEU A 24 -0.233 -5.745 2.072 1.00 0.00 C ATOM 379 CD2 LEU A 24 2.204 -5.963 2.589 1.00 0.00 C ATOM 0 H LEU A 24 0.269 -7.474 -1.496 1.00 0.00 H new ATOM 0 HA LEU A 24 -0.341 -4.949 -0.259 1.00 0.00 H new ATOM 0 HB2 LEU A 24 1.285 -7.156 0.295 1.00 0.00 H new ATOM 0 HB3 LEU A 24 2.439 -5.900 -0.109 1.00 0.00 H new ATOM 0 HG LEU A 24 1.299 -4.344 1.493 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -0.397 -5.280 3.044 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -0.960 -5.359 1.358 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.351 -6.825 2.162 1.00 0.00 H new ATOM 0 HD21 LEU A 24 2.038 -5.498 3.561 1.00 0.00 H new ATOM 0 HD22 LEU A 24 2.090 -7.043 2.679 1.00 0.00 H new ATOM 0 HD23 LEU A 24 3.212 -5.732 2.243 1.00 0.00 H new ATOM 391 N ILE A 25 1.745 -5.107 -2.785 1.00 0.00 N ATOM 392 CA ILE A 25 2.436 -4.290 -3.766 1.00 0.00 C ATOM 393 C ILE A 25 1.509 -3.170 -4.211 1.00 0.00 C ATOM 394 O ILE A 25 1.949 -2.061 -4.511 1.00 0.00 O ATOM 395 CB ILE A 25 2.843 -5.140 -4.972 1.00 0.00 C ATOM 396 CG1 ILE A 25 3.679 -6.330 -4.495 1.00 0.00 C ATOM 397 CG2 ILE A 25 3.668 -4.292 -5.944 1.00 0.00 C ATOM 398 CD1 ILE A 25 4.872 -5.823 -3.684 1.00 0.00 C ATOM 0 H ILE A 25 1.762 -6.109 -2.973 1.00 0.00 H new ATOM 0 HA ILE A 25 3.338 -3.870 -3.321 1.00 0.00 H new ATOM 0 HB ILE A 25 1.949 -5.502 -5.479 1.00 0.00 H new ATOM 0 HG12 ILE A 25 3.068 -6.996 -3.886 1.00 0.00 H new ATOM 0 HG13 ILE A 25 4.027 -6.910 -5.350 1.00 0.00 H new ATOM 0 HG21 ILE A 25 3.957 -4.899 -6.802 1.00 0.00 H new ATOM 0 HG22 ILE A 25 3.072 -3.444 -6.283 1.00 0.00 H new ATOM 0 HG23 ILE A 25 4.563 -3.928 -5.440 1.00 0.00 H new ATOM 0 HD11 ILE A 25 5.467 -6.670 -3.344 1.00 0.00 H new ATOM 0 HD12 ILE A 25 5.487 -5.174 -4.308 1.00 0.00 H new ATOM 0 HD13 ILE A 25 4.513 -5.262 -2.821 1.00 0.00 H new ATOM 410 N PHE A 26 0.216 -3.478 -4.246 1.00 0.00 N ATOM 411 CA PHE A 26 -0.784 -2.497 -4.650 1.00 0.00 C ATOM 412 C PHE A 26 -0.873 -1.375 -3.620 1.00 0.00 C ATOM 413 O PHE A 26 -0.955 -0.199 -3.974 1.00 0.00 O ATOM 414 CB PHE A 26 -2.154 -3.172 -4.796 1.00 0.00 C ATOM 415 CG PHE A 26 -2.630 -3.058 -6.225 1.00 0.00 C ATOM 416 CD1 PHE A 26 -2.257 -4.024 -7.166 1.00 0.00 C ATOM 417 CD2 PHE A 26 -3.447 -1.986 -6.608 1.00 0.00 C ATOM 418 CE1 PHE A 26 -2.700 -3.920 -8.490 1.00 0.00 C ATOM 419 CE2 PHE A 26 -3.889 -1.881 -7.932 1.00 0.00 C ATOM 420 CZ PHE A 26 -3.515 -2.849 -8.873 1.00 0.00 C ATOM 0 H PHE A 26 -0.162 -4.393 -4.001 1.00 0.00 H new ATOM 0 HA PHE A 26 -0.487 -2.074 -5.610 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -2.085 -4.221 -4.508 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -2.874 -2.704 -4.125 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -1.627 -4.850 -6.871 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -3.736 -1.241 -5.882 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -2.413 -4.666 -9.216 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -4.518 -1.054 -8.228 1.00 0.00 H new ATOM 0 HZ PHE A 26 -3.856 -2.769 -9.895 1.00 0.00 H new ATOM 430 N VAL A 27 -0.856 -1.747 -2.343 1.00 0.00 N ATOM 431 CA VAL A 27 -0.932 -0.761 -1.271 1.00 0.00 C ATOM 432 C VAL A 27 0.261 0.185 -1.333 1.00 0.00 C ATOM 433 O VAL A 27 0.127 1.386 -1.094 1.00 0.00 O ATOM 434 CB VAL A 27 -0.959 -1.463 0.088 1.00 0.00 C ATOM 435 CG1 VAL A 27 -1.332 -0.455 1.177 1.00 0.00 C ATOM 436 CG2 VAL A 27 -1.997 -2.587 0.060 1.00 0.00 C ATOM 0 H VAL A 27 -0.791 -2.715 -2.028 1.00 0.00 H new ATOM 0 HA VAL A 27 -1.848 -0.185 -1.397 1.00 0.00 H new ATOM 0 HB VAL A 27 0.025 -1.880 0.300 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.351 -0.956 2.145 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.595 0.347 1.198 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -2.316 -0.038 0.965 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.017 -3.088 1.028 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.981 -2.169 -0.152 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.734 -3.306 -0.715 1.00 0.00 H new ATOM 446 N PHE A 28 1.427 -0.362 -1.661 1.00 0.00 N ATOM 447 CA PHE A 28 2.637 0.446 -1.756 1.00 0.00 C ATOM 448 C PHE A 28 2.575 1.349 -2.982 1.00 0.00 C ATOM 449 O PHE A 28 2.980 2.510 -2.932 1.00 0.00 O ATOM 450 CB PHE A 28 3.869 -0.458 -1.850 1.00 0.00 C ATOM 451 CG PHE A 28 5.058 0.248 -1.241 1.00 0.00 C ATOM 452 CD1 PHE A 28 5.323 0.117 0.127 1.00 0.00 C ATOM 453 CD2 PHE A 28 5.893 1.034 -2.045 1.00 0.00 C ATOM 454 CE1 PHE A 28 6.425 0.772 0.692 1.00 0.00 C ATOM 455 CE2 PHE A 28 6.994 1.689 -1.480 1.00 0.00 C ATOM 456 CZ PHE A 28 7.260 1.558 -0.112 1.00 0.00 C ATOM 0 H PHE A 28 1.559 -1.353 -1.864 1.00 0.00 H new ATOM 0 HA PHE A 28 2.711 1.063 -0.861 1.00 0.00 H new ATOM 0 HB2 PHE A 28 3.685 -1.398 -1.330 1.00 0.00 H new ATOM 0 HB3 PHE A 28 4.073 -0.705 -2.892 1.00 0.00 H new ATOM 0 HD1 PHE A 28 4.678 -0.489 0.747 1.00 0.00 H new ATOM 0 HD2 PHE A 28 5.688 1.135 -3.101 1.00 0.00 H new ATOM 0 HE1 PHE A 28 6.631 0.671 1.747 1.00 0.00 H new ATOM 0 HE2 PHE A 28 7.638 2.295 -2.100 1.00 0.00 H new ATOM 0 HZ PHE A 28 8.109 2.063 0.324 1.00 0.00 H new ATOM 466 N LEU A 29 2.056 0.808 -4.079 1.00 0.00 N ATOM 467 CA LEU A 29 1.939 1.574 -5.312 1.00 0.00 C ATOM 468 C LEU A 29 0.949 2.716 -5.124 1.00 0.00 C ATOM 469 O LEU A 29 1.130 3.806 -5.666 1.00 0.00 O ATOM 470 CB LEU A 29 1.468 0.665 -6.449 1.00 0.00 C ATOM 471 CG LEU A 29 2.336 0.901 -7.685 1.00 0.00 C ATOM 472 CD1 LEU A 29 1.865 -0.006 -8.824 1.00 0.00 C ATOM 473 CD2 LEU A 29 2.216 2.364 -8.116 1.00 0.00 C ATOM 0 H LEU A 29 1.712 -0.151 -4.139 1.00 0.00 H new ATOM 0 HA LEU A 29 2.916 1.986 -5.565 1.00 0.00 H new ATOM 0 HB2 LEU A 29 1.529 -0.379 -6.143 1.00 0.00 H new ATOM 0 HB3 LEU A 29 0.423 0.868 -6.682 1.00 0.00 H new ATOM 0 HG LEU A 29 3.375 0.673 -7.448 1.00 0.00 H new ATOM 0 HD11 LEU A 29 2.485 0.164 -9.704 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.948 -1.049 -8.517 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.826 0.220 -9.063 1.00 0.00 H new ATOM 0 HD21 LEU A 29 2.834 2.536 -8.997 1.00 0.00 H new ATOM 0 HD22 LEU A 29 1.176 2.590 -8.352 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.552 3.011 -7.306 1.00 0.00 H new ATOM 485 N PHE A 30 -0.094 2.460 -4.343 1.00 0.00 N ATOM 486 CA PHE A 30 -1.106 3.475 -4.081 1.00 0.00 C ATOM 487 C PHE A 30 -0.547 4.549 -3.155 1.00 0.00 C ATOM 488 O PHE A 30 -0.821 5.737 -3.328 1.00 0.00 O ATOM 489 CB PHE A 30 -2.337 2.832 -3.436 1.00 0.00 C ATOM 490 CG PHE A 30 -3.472 2.794 -4.432 1.00 0.00 C ATOM 491 CD1 PHE A 30 -4.026 3.988 -4.908 1.00 0.00 C ATOM 492 CD2 PHE A 30 -3.969 1.564 -4.881 1.00 0.00 C ATOM 493 CE1 PHE A 30 -5.078 3.953 -5.832 1.00 0.00 C ATOM 494 CE2 PHE A 30 -5.020 1.528 -5.804 1.00 0.00 C ATOM 495 CZ PHE A 30 -5.574 2.722 -6.280 1.00 0.00 C ATOM 0 H PHE A 30 -0.260 1.565 -3.883 1.00 0.00 H new ATOM 0 HA PHE A 30 -1.393 3.934 -5.027 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -2.099 1.822 -3.103 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -2.634 3.398 -2.553 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -3.642 4.937 -4.563 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -3.541 0.643 -4.515 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -5.506 4.874 -6.199 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -5.404 0.579 -6.149 1.00 0.00 H new ATOM 0 HZ PHE A 30 -6.385 2.694 -6.993 1.00 0.00 H new ATOM 505 N SER A 31 0.242 4.123 -2.172 1.00 0.00 N ATOM 506 CA SER A 31 0.837 5.059 -1.228 1.00 0.00 C ATOM 507 C SER A 31 1.867 5.935 -1.927 1.00 0.00 C ATOM 508 O SER A 31 1.991 7.125 -1.638 1.00 0.00 O ATOM 509 CB SER A 31 1.502 4.298 -0.081 1.00 0.00 C ATOM 510 OG SER A 31 2.884 4.626 -0.037 1.00 0.00 O ATOM 0 H SER A 31 0.481 3.145 -2.011 1.00 0.00 H new ATOM 0 HA SER A 31 0.047 5.694 -0.827 1.00 0.00 H new ATOM 0 HB2 SER A 31 1.026 4.555 0.865 1.00 0.00 H new ATOM 0 HB3 SER A 31 1.376 3.224 -0.221 1.00 0.00 H new ATOM 0 HG SER A 31 3.312 4.141 0.699 1.00 0.00 H new ATOM 516 N VAL A 32 2.600 5.333 -2.853 1.00 0.00 N ATOM 517 CA VAL A 32 3.616 6.061 -3.601 1.00 0.00 C ATOM 518 C VAL A 32 2.975 7.202 -4.382 1.00 0.00 C ATOM 519 O VAL A 32 3.445 8.339 -4.340 1.00 0.00 O ATOM 520 CB VAL A 32 4.335 5.118 -4.567 1.00 0.00 C ATOM 521 CG1 VAL A 32 4.951 5.929 -5.709 1.00 0.00 C ATOM 522 CG2 VAL A 32 5.443 4.368 -3.822 1.00 0.00 C ATOM 0 H VAL A 32 2.511 4.348 -3.104 1.00 0.00 H new ATOM 0 HA VAL A 32 4.340 6.472 -2.897 1.00 0.00 H new ATOM 0 HB VAL A 32 3.620 4.402 -4.972 1.00 0.00 H new ATOM 0 HG11 VAL A 32 5.463 5.257 -6.397 1.00 0.00 H new ATOM 0 HG12 VAL A 32 4.164 6.463 -6.242 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.665 6.645 -5.303 1.00 0.00 H new ATOM 0 HG21 VAL A 32 5.955 3.696 -4.511 1.00 0.00 H new ATOM 0 HG22 VAL A 32 6.157 5.084 -3.416 1.00 0.00 H new ATOM 0 HG23 VAL A 32 5.007 3.789 -3.008 1.00 0.00 H new ATOM 532 N VAL A 33 1.895 6.888 -5.091 1.00 0.00 N ATOM 533 CA VAL A 33 1.189 7.895 -5.874 1.00 0.00 C ATOM 534 C VAL A 33 0.819 9.082 -4.993 1.00 0.00 C ATOM 535 O VAL A 33 1.193 10.220 -5.278 1.00 0.00 O ATOM 536 CB VAL A 33 -0.076 7.288 -6.482 1.00 0.00 C ATOM 537 CG1 VAL A 33 -0.802 8.345 -7.317 1.00 0.00 C ATOM 538 CG2 VAL A 33 0.306 6.108 -7.378 1.00 0.00 C ATOM 0 H VAL A 33 1.493 5.952 -5.139 1.00 0.00 H new ATOM 0 HA VAL A 33 1.843 8.240 -6.675 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.732 6.943 -5.683 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.703 7.911 -7.750 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.074 9.187 -6.681 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.146 8.691 -8.116 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.595 5.674 -7.812 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.963 6.455 -8.176 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.823 5.353 -6.785 1.00 0.00 H new ATOM 548 N ILE A 34 0.088 8.807 -3.916 1.00 0.00 N ATOM 549 CA ILE A 34 -0.322 9.857 -2.990 1.00 0.00 C ATOM 550 C ILE A 34 0.897 10.578 -2.437 1.00 0.00 C ATOM 551 O ILE A 34 0.799 11.697 -1.934 1.00 0.00 O ATOM 552 CB ILE A 34 -1.127 9.256 -1.838 1.00 0.00 C ATOM 553 CG1 ILE A 34 -2.265 8.401 -2.402 1.00 0.00 C ATOM 554 CG2 ILE A 34 -1.714 10.380 -0.982 1.00 0.00 C ATOM 555 CD1 ILE A 34 -2.963 7.662 -1.259 1.00 0.00 C ATOM 0 H ILE A 34 -0.231 7.871 -3.664 1.00 0.00 H new ATOM 0 HA ILE A 34 -0.944 10.571 -3.530 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.473 8.636 -1.225 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -2.979 9.031 -2.932 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -1.873 7.686 -3.125 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.288 9.950 -0.161 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -0.906 10.991 -0.579 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.367 11.001 -1.595 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.773 7.053 -1.660 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -2.245 7.020 -0.749 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.369 8.386 -0.552 1.00 0.00 H new ATOM 567 N GLY A 35 2.042 9.920 -2.531 1.00 0.00 N ATOM 568 CA GLY A 35 3.284 10.495 -2.035 1.00 0.00 C ATOM 569 C GLY A 35 3.747 11.638 -2.920 1.00 0.00 C ATOM 570 O GLY A 35 3.927 12.764 -2.455 1.00 0.00 O ATOM 0 H GLY A 35 2.138 8.992 -2.944 1.00 0.00 H new ATOM 0 HA2 GLY A 35 3.141 10.855 -1.016 1.00 0.00 H new ATOM 0 HA3 GLY A 35 4.055 9.725 -1.996 1.00 0.00 H new ATOM 574 N SER A 36 3.915 11.347 -4.200 1.00 0.00 N ATOM 575 CA SER A 36 4.331 12.368 -5.144 1.00 0.00 C ATOM 576 C SER A 36 3.223 13.394 -5.258 1.00 0.00 C ATOM 577 O SER A 36 3.457 14.559 -5.580 1.00 0.00 O ATOM 578 CB SER A 36 4.613 11.749 -6.513 1.00 0.00 C ATOM 579 OG SER A 36 5.551 10.692 -6.365 1.00 0.00 O ATOM 0 H SER A 36 3.771 10.422 -4.605 1.00 0.00 H new ATOM 0 HA SER A 36 5.247 12.842 -4.792 1.00 0.00 H new ATOM 0 HB2 SER A 36 3.689 11.372 -6.952 1.00 0.00 H new ATOM 0 HB3 SER A 36 5.004 12.505 -7.194 1.00 0.00 H new ATOM 0 HG SER A 36 5.733 10.291 -7.241 1.00 0.00 H new ATOM 585 N ILE A 37 2.010 12.940 -4.973 1.00 0.00 N ATOM 586 CA ILE A 37 0.845 13.814 -5.026 1.00 0.00 C ATOM 587 C ILE A 37 0.847 14.751 -3.821 1.00 0.00 C ATOM 588 O ILE A 37 0.507 15.928 -3.933 1.00 0.00 O ATOM 589 CB ILE A 37 -0.443 12.972 -5.066 1.00 0.00 C ATOM 590 CG1 ILE A 37 -1.219 13.291 -6.347 1.00 0.00 C ATOM 591 CG2 ILE A 37 -1.327 13.280 -3.852 1.00 0.00 C ATOM 592 CD1 ILE A 37 -2.560 12.553 -6.333 1.00 0.00 C ATOM 0 H ILE A 37 1.807 11.977 -4.704 1.00 0.00 H new ATOM 0 HA ILE A 37 0.886 14.418 -5.932 1.00 0.00 H new ATOM 0 HB ILE A 37 -0.171 11.917 -5.045 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -1.385 14.365 -6.426 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.638 12.993 -7.220 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -2.233 12.675 -3.898 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -0.782 13.048 -2.937 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -1.596 14.336 -3.856 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -3.111 12.781 -7.246 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -2.384 11.479 -6.275 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -3.142 12.872 -5.469 1.00 0.00 H new ATOM 604 N TYR A 38 1.237 14.211 -2.670 1.00 0.00 N ATOM 605 CA TYR A 38 1.287 14.998 -1.443 1.00 0.00 C ATOM 606 C TYR A 38 2.073 16.289 -1.664 1.00 0.00 C ATOM 607 O TYR A 38 1.752 17.328 -1.088 1.00 0.00 O ATOM 608 CB TYR A 38 1.946 14.183 -0.329 1.00 0.00 C ATOM 609 CG TYR A 38 1.237 14.449 0.978 1.00 0.00 C ATOM 610 CD1 TYR A 38 -0.135 14.197 1.095 1.00 0.00 C ATOM 611 CD2 TYR A 38 1.953 14.947 2.073 1.00 0.00 C ATOM 612 CE1 TYR A 38 -0.791 14.443 2.306 1.00 0.00 C ATOM 613 CE2 TYR A 38 1.297 15.193 3.285 1.00 0.00 C ATOM 614 CZ TYR A 38 -0.075 14.941 3.401 1.00 0.00 C ATOM 615 OH TYR A 38 -0.722 15.182 4.597 1.00 0.00 O ATOM 0 H TYR A 38 1.521 13.237 -2.562 1.00 0.00 H new ATOM 0 HA TYR A 38 0.267 15.252 -1.155 1.00 0.00 H new ATOM 0 HB2 TYR A 38 1.904 13.120 -0.568 1.00 0.00 H new ATOM 0 HB3 TYR A 38 3.000 14.449 -0.244 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -0.687 13.813 0.250 1.00 0.00 H new ATOM 0 HD2 TYR A 38 3.012 15.141 1.983 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -1.850 14.249 2.396 1.00 0.00 H new ATOM 0 HE2 TYR A 38 1.849 15.577 4.130 1.00 0.00 H new ATOM 0 HH TYR A 38 -0.080 15.524 5.253 1.00 0.00 H new ATOM 625 N LEU A 39 3.104 16.214 -2.500 1.00 0.00 N ATOM 626 CA LEU A 39 3.930 17.383 -2.787 1.00 0.00 C ATOM 627 C LEU A 39 3.056 18.612 -3.021 1.00 0.00 C ATOM 628 O LEU A 39 3.296 19.673 -2.445 1.00 0.00 O ATOM 629 CB LEU A 39 4.789 17.120 -4.027 1.00 0.00 C ATOM 630 CG LEU A 39 6.179 17.729 -3.829 1.00 0.00 C ATOM 631 CD1 LEU A 39 6.922 16.968 -2.728 1.00 0.00 C ATOM 632 CD2 LEU A 39 6.967 17.632 -5.138 1.00 0.00 C ATOM 0 H LEU A 39 3.386 15.364 -2.987 1.00 0.00 H new ATOM 0 HA LEU A 39 4.576 17.570 -1.929 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.873 16.048 -4.203 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.314 17.551 -4.908 1.00 0.00 H new ATOM 0 HG LEU A 39 6.079 18.775 -3.540 1.00 0.00 H new ATOM 0 HD11 LEU A 39 7.911 17.403 -2.589 1.00 0.00 H new ATOM 0 HD12 LEU A 39 6.361 17.037 -1.796 1.00 0.00 H new ATOM 0 HD13 LEU A 39 7.023 15.921 -3.014 1.00 0.00 H new ATOM 0 HD21 LEU A 39 7.958 18.065 -4.999 1.00 0.00 H new ATOM 0 HD22 LEU A 39 7.066 16.586 -5.427 1.00 0.00 H new ATOM 0 HD23 LEU A 39 6.439 18.176 -5.921 1.00 0.00 H new ATOM 644 N PHE A 40 2.042 18.460 -3.865 1.00 0.00 N ATOM 645 CA PHE A 40 1.138 19.565 -4.165 1.00 0.00 C ATOM 646 C PHE A 40 0.461 20.061 -2.892 1.00 0.00 C ATOM 647 O PHE A 40 0.239 21.260 -2.721 1.00 0.00 O ATOM 648 CB PHE A 40 0.075 19.110 -5.167 1.00 0.00 C ATOM 649 CG PHE A 40 0.544 19.415 -6.570 1.00 0.00 C ATOM 650 CD1 PHE A 40 1.465 18.568 -7.200 1.00 0.00 C ATOM 651 CD2 PHE A 40 0.059 20.543 -7.240 1.00 0.00 C ATOM 652 CE1 PHE A 40 1.900 18.851 -8.500 1.00 0.00 C ATOM 653 CE2 PHE A 40 0.495 20.826 -8.541 1.00 0.00 C ATOM 654 CZ PHE A 40 1.416 19.980 -9.170 1.00 0.00 C ATOM 0 H PHE A 40 1.826 17.590 -4.351 1.00 0.00 H new ATOM 0 HA PHE A 40 1.718 20.381 -4.596 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -0.110 18.041 -5.058 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -0.869 19.618 -4.969 1.00 0.00 H new ATOM 0 HD1 PHE A 40 1.839 17.697 -6.683 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -0.651 21.196 -6.754 1.00 0.00 H new ATOM 0 HE1 PHE A 40 2.609 18.198 -8.986 1.00 0.00 H new ATOM 0 HE2 PHE A 40 0.121 21.697 -9.059 1.00 0.00 H new ATOM 0 HZ PHE A 40 1.753 20.199 -10.172 1.00 0.00 H new ATOM 664 N LEU A 41 0.135 19.130 -2.002 1.00 0.00 N ATOM 665 CA LEU A 41 -0.517 19.480 -0.745 1.00 0.00 C ATOM 666 C LEU A 41 0.512 19.889 0.299 1.00 0.00 C ATOM 667 O LEU A 41 0.171 20.432 1.350 1.00 0.00 O ATOM 668 CB LEU A 41 -1.331 18.293 -0.229 1.00 0.00 C ATOM 669 CG LEU A 41 -2.647 18.198 -1.002 1.00 0.00 C ATOM 670 CD1 LEU A 41 -2.368 17.713 -2.427 1.00 0.00 C ATOM 671 CD2 LEU A 41 -3.579 17.207 -0.302 1.00 0.00 C ATOM 0 H LEU A 41 0.310 18.133 -2.126 1.00 0.00 H new ATOM 0 HA LEU A 41 -1.183 20.323 -0.927 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.762 17.371 -0.346 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.531 18.412 0.836 1.00 0.00 H new ATOM 0 HG LEU A 41 -3.119 19.180 -1.037 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -3.306 17.645 -2.978 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -1.703 18.417 -2.927 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -1.896 16.731 -2.391 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.517 17.139 -0.853 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.106 16.225 -0.267 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -3.778 17.550 0.713 1.00 0.00 H new ATOM 683 N ARG A 42 1.770 19.616 -0.002 1.00 0.00 N ATOM 684 CA ARG A 42 2.858 19.949 0.912 1.00 0.00 C ATOM 685 C ARG A 42 3.365 21.366 0.658 1.00 0.00 C ATOM 686 O ARG A 42 4.233 21.860 1.378 1.00 0.00 O ATOM 687 CB ARG A 42 4.010 18.955 0.738 1.00 0.00 C ATOM 688 CG ARG A 42 4.431 18.414 2.107 1.00 0.00 C ATOM 689 CD ARG A 42 5.817 17.771 2.008 1.00 0.00 C ATOM 690 NE ARG A 42 6.739 18.414 2.939 1.00 0.00 N ATOM 691 CZ ARG A 42 7.656 19.284 2.522 1.00 0.00 C ATOM 692 NH1 ARG A 42 7.753 19.585 1.255 1.00 0.00 N ATOM 693 NH2 ARG A 42 8.460 19.842 3.385 1.00 0.00 N ATOM 0 H ARG A 42 2.066 19.166 -0.868 1.00 0.00 H new ATOM 0 HA ARG A 42 2.477 19.891 1.932 1.00 0.00 H new ATOM 0 HB2 ARG A 42 3.701 18.134 0.090 1.00 0.00 H new ATOM 0 HB3 ARG A 42 4.855 19.443 0.253 1.00 0.00 H new ATOM 0 HG2 ARG A 42 4.447 19.222 2.838 1.00 0.00 H new ATOM 0 HG3 ARG A 42 3.704 17.681 2.457 1.00 0.00 H new ATOM 0 HD2 ARG A 42 5.748 16.706 2.230 1.00 0.00 H new ATOM 0 HD3 ARG A 42 6.196 17.861 0.990 1.00 0.00 H new ATOM 0 HE ARG A 42 6.679 18.191 3.933 1.00 0.00 H new ATOM 0 HH11 ARG A 42 7.124 19.153 0.578 1.00 0.00 H new ATOM 0 HH12 ARG A 42 8.458 20.252 0.942 1.00 0.00 H new ATOM 0 HH21 ARG A 42 8.385 19.611 4.376 1.00 0.00 H new ATOM 0 HH22 ARG A 42 9.164 20.509 3.069 1.00 0.00 H new ATOM 707 N LYS A 43 2.824 22.014 -0.369 1.00 0.00 N ATOM 708 CA LYS A 43 3.240 23.373 -0.700 1.00 0.00 C ATOM 709 C LYS A 43 2.032 24.257 -0.995 1.00 0.00 C ATOM 710 O LYS A 43 2.122 25.203 -1.777 1.00 0.00 O ATOM 711 CB LYS A 43 4.167 23.350 -1.917 1.00 0.00 C ATOM 712 CG LYS A 43 3.437 22.720 -3.104 1.00 0.00 C ATOM 713 CD LYS A 43 4.432 21.925 -3.953 1.00 0.00 C ATOM 714 CE LYS A 43 5.392 22.889 -4.653 1.00 0.00 C ATOM 715 NZ LYS A 43 5.057 22.958 -6.103 1.00 0.00 N ATOM 0 H LYS A 43 2.105 21.626 -0.980 1.00 0.00 H new ATOM 0 HA LYS A 43 3.770 23.786 0.158 1.00 0.00 H new ATOM 0 HB2 LYS A 43 4.482 24.363 -2.167 1.00 0.00 H new ATOM 0 HB3 LYS A 43 5.069 22.783 -1.689 1.00 0.00 H new ATOM 0 HG2 LYS A 43 2.641 22.065 -2.749 1.00 0.00 H new ATOM 0 HG3 LYS A 43 2.966 23.496 -3.708 1.00 0.00 H new ATOM 0 HD2 LYS A 43 4.991 21.232 -3.324 1.00 0.00 H new ATOM 0 HD3 LYS A 43 3.899 21.326 -4.691 1.00 0.00 H new ATOM 0 HE2 LYS A 43 5.320 23.880 -4.205 1.00 0.00 H new ATOM 0 HE3 LYS A 43 6.421 22.554 -4.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 5.709 23.613 -6.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 5.147 22.012 -6.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 4.081 23.297 -6.218 1.00 0.00 H new ATOM 729 N ARG A 44 0.905 23.950 -0.361 1.00 0.00 N ATOM 730 CA ARG A 44 -0.308 24.734 -0.566 1.00 0.00 C ATOM 731 C ARG A 44 -0.337 25.925 0.387 1.00 0.00 C ATOM 732 O ARG A 44 -0.955 25.869 1.449 1.00 0.00 O ATOM 733 CB ARG A 44 -1.545 23.859 -0.338 1.00 0.00 C ATOM 734 CG ARG A 44 -2.496 23.995 -1.529 1.00 0.00 C ATOM 735 CD ARG A 44 -3.583 22.922 -1.442 1.00 0.00 C ATOM 736 NE ARG A 44 -4.250 22.775 -2.732 1.00 0.00 N ATOM 737 CZ ARG A 44 -5.552 22.518 -2.811 1.00 0.00 C ATOM 738 NH1 ARG A 44 -6.260 22.383 -1.722 1.00 0.00 N ATOM 739 NH2 ARG A 44 -6.123 22.402 -3.978 1.00 0.00 N ATOM 0 H ARG A 44 0.806 23.173 0.292 1.00 0.00 H new ATOM 0 HA ARG A 44 -0.314 25.102 -1.592 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -1.248 22.818 -0.214 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -2.051 24.158 0.580 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -2.949 24.986 -1.534 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -1.943 23.892 -2.463 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -3.143 21.971 -1.142 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -4.311 23.192 -0.677 1.00 0.00 H new ATOM 0 HE ARG A 44 -3.706 22.871 -3.590 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -5.814 22.475 -0.809 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -7.259 22.186 -1.784 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -5.571 22.508 -4.829 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -7.122 22.205 -4.040 1.00 0.00 H new ATOM 753 N GLN A 45 0.342 27.000 0.000 1.00 0.00 N ATOM 754 CA GLN A 45 0.394 28.198 0.829 1.00 0.00 C ATOM 755 C GLN A 45 0.962 27.868 2.209 1.00 0.00 C ATOM 756 O GLN A 45 0.703 26.794 2.751 1.00 0.00 O ATOM 757 CB GLN A 45 -1.011 28.786 0.981 1.00 0.00 C ATOM 758 CG GLN A 45 -1.509 29.277 -0.379 1.00 0.00 C ATOM 759 CD GLN A 45 -1.761 28.090 -1.301 1.00 0.00 C ATOM 760 OE1 GLN A 45 -0.890 27.717 -2.087 1.00 0.00 O ATOM 761 NE2 GLN A 45 -2.908 27.469 -1.250 1.00 0.00 N ATOM 0 H GLN A 45 0.860 27.066 -0.876 1.00 0.00 H new ATOM 0 HA GLN A 45 1.044 28.927 0.345 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -1.691 28.033 1.379 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -0.996 29.610 1.694 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -2.427 29.852 -0.254 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -0.773 29.945 -0.826 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -3.628 27.780 -0.598 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -3.084 26.673 -1.862 1.00 0.00 H new ATOM 770 N PRO A 46 1.724 28.765 2.780 1.00 0.00 N ATOM 771 CA PRO A 46 2.335 28.561 4.122 1.00 0.00 C ATOM 772 C PRO A 46 1.373 27.886 5.098 1.00 0.00 C ATOM 773 O PRO A 46 0.160 28.086 5.031 1.00 0.00 O ATOM 774 CB PRO A 46 2.671 29.980 4.574 1.00 0.00 C ATOM 775 CG PRO A 46 2.911 30.748 3.316 1.00 0.00 C ATOM 776 CD PRO A 46 2.088 30.073 2.212 1.00 0.00 C ATOM 0 HA PRO A 46 3.202 27.901 4.087 1.00 0.00 H new ATOM 0 HB2 PRO A 46 1.853 30.414 5.149 1.00 0.00 H new ATOM 0 HB3 PRO A 46 3.552 29.990 5.215 1.00 0.00 H new ATOM 0 HG2 PRO A 46 2.612 31.789 3.437 1.00 0.00 H new ATOM 0 HG3 PRO A 46 3.971 30.748 3.061 1.00 0.00 H new ATOM 0 HD2 PRO A 46 1.203 30.658 1.961 1.00 0.00 H new ATOM 0 HD3 PRO A 46 2.667 29.962 1.295 1.00 0.00 H new ATOM 784 N ASP A 47 1.925 27.078 6.000 1.00 0.00 N ATOM 785 CA ASP A 47 1.119 26.370 6.977 1.00 0.00 C ATOM 786 C ASP A 47 0.486 27.334 7.967 1.00 0.00 C ATOM 787 O ASP A 47 0.391 27.049 9.162 1.00 0.00 O ATOM 788 CB ASP A 47 1.969 25.339 7.723 1.00 0.00 C ATOM 789 CG ASP A 47 1.073 24.263 8.327 1.00 0.00 C ATOM 790 OD1 ASP A 47 0.233 23.747 7.609 1.00 0.00 O ATOM 791 OD2 ASP A 47 1.239 23.972 9.501 1.00 0.00 O ATOM 0 H ASP A 47 2.927 26.901 6.070 1.00 0.00 H new ATOM 0 HA ASP A 47 0.321 25.855 6.442 1.00 0.00 H new ATOM 0 HB2 ASP A 47 2.687 24.885 7.040 1.00 0.00 H new ATOM 0 HB3 ASP A 47 2.543 25.829 8.509 1.00 0.00 H new ATOM 796 N GLY A 48 0.053 28.472 7.457 1.00 0.00 N ATOM 797 CA GLY A 48 -0.579 29.486 8.294 1.00 0.00 C ATOM 798 C GLY A 48 -0.385 30.883 7.712 1.00 0.00 C ATOM 799 O GLY A 48 0.604 31.556 8.003 1.00 0.00 O ATOM 0 H GLY A 48 0.125 28.721 6.470 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -1.644 29.273 8.386 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -0.158 29.446 9.298 1.00 0.00 H new ATOM 803 N PRO A 49 -1.308 31.326 6.899 1.00 0.00 N ATOM 804 CA PRO A 49 -1.246 32.670 6.263 1.00 0.00 C ATOM 805 C PRO A 49 -1.708 33.776 7.211 1.00 0.00 C ATOM 806 O PRO A 49 -2.679 33.608 7.948 1.00 0.00 O ATOM 807 CB PRO A 49 -2.192 32.540 5.071 1.00 0.00 C ATOM 808 CG PRO A 49 -3.196 31.507 5.472 1.00 0.00 C ATOM 809 CD PRO A 49 -2.518 30.590 6.496 1.00 0.00 C ATOM 0 HA PRO A 49 -0.231 32.949 5.981 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -2.675 33.491 4.847 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -1.653 32.237 4.173 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -4.080 31.977 5.902 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -3.528 30.936 4.605 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -3.169 30.397 7.349 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -2.268 29.623 6.060 1.00 0.00 H new ATOM 817 N LEU A 50 -1.007 34.905 7.184 1.00 0.00 N ATOM 818 CA LEU A 50 -1.356 36.028 8.047 1.00 0.00 C ATOM 819 C LEU A 50 -0.832 35.799 9.461 1.00 0.00 C ATOM 820 O LEU A 50 -1.583 35.878 10.433 1.00 0.00 O ATOM 821 CB LEU A 50 -2.875 36.208 8.085 1.00 0.00 C ATOM 822 CG LEU A 50 -3.210 37.696 8.201 1.00 0.00 C ATOM 823 CD1 LEU A 50 -2.875 38.401 6.884 1.00 0.00 C ATOM 824 CD2 LEU A 50 -4.704 37.859 8.501 1.00 0.00 C ATOM 0 H LEU A 50 -0.201 35.066 6.580 1.00 0.00 H new ATOM 0 HA LEU A 50 -0.896 36.929 7.642 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.324 35.793 7.183 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -3.295 35.663 8.930 1.00 0.00 H new ATOM 0 HG LEU A 50 -2.625 38.138 9.007 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.114 39.461 6.968 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -1.813 38.284 6.669 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -3.459 37.960 6.076 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.945 38.919 8.584 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -5.288 37.416 7.694 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -4.944 37.358 9.439 1.00 0.00 H new ATOM 836 N GLU A 51 0.462 35.513 9.567 1.00 0.00 N ATOM 837 CA GLU A 51 1.078 35.272 10.868 1.00 0.00 C ATOM 838 C GLU A 51 0.497 36.212 11.919 1.00 0.00 C ATOM 839 O GLU A 51 -0.028 37.276 11.592 1.00 0.00 O ATOM 840 CB GLU A 51 2.592 35.481 10.776 1.00 0.00 C ATOM 841 CG GLU A 51 3.300 34.124 10.803 1.00 0.00 C ATOM 842 CD GLU A 51 3.260 33.542 12.212 1.00 0.00 C ATOM 843 OE1 GLU A 51 2.186 33.162 12.646 1.00 0.00 O ATOM 844 OE2 GLU A 51 4.307 33.485 12.838 1.00 0.00 O ATOM 0 H GLU A 51 1.100 35.443 8.775 1.00 0.00 H new ATOM 0 HA GLU A 51 0.870 34.243 11.162 1.00 0.00 H new ATOM 0 HB2 GLU A 51 2.841 36.014 9.858 1.00 0.00 H new ATOM 0 HB3 GLU A 51 2.935 36.098 11.606 1.00 0.00 H new ATOM 0 HG2 GLU A 51 2.819 33.440 10.104 1.00 0.00 H new ATOM 0 HG3 GLU A 51 4.334 34.238 10.477 1.00 0.00 H new ATOM 851 N HIS A 52 0.598 35.813 13.183 1.00 0.00 N ATOM 852 CA HIS A 52 0.080 36.629 14.277 1.00 0.00 C ATOM 853 C HIS A 52 1.187 37.499 14.863 1.00 0.00 C ATOM 854 O HIS A 52 2.218 37.720 14.229 1.00 0.00 O ATOM 855 CB HIS A 52 -0.498 35.730 15.371 1.00 0.00 C ATOM 856 CG HIS A 52 -1.542 34.824 14.779 1.00 0.00 C ATOM 857 ND1 HIS A 52 -2.802 34.683 15.339 1.00 0.00 N ATOM 858 CD2 HIS A 52 -1.529 34.007 13.675 1.00 0.00 C ATOM 859 CE1 HIS A 52 -3.489 33.812 14.580 1.00 0.00 C ATOM 860 NE2 HIS A 52 -2.760 33.369 13.552 1.00 0.00 N ATOM 0 H HIS A 52 1.030 34.936 13.474 1.00 0.00 H new ATOM 0 HA HIS A 52 -0.707 37.274 13.885 1.00 0.00 H new ATOM 0 HB2 HIS A 52 0.296 35.138 15.827 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -0.936 36.338 16.162 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -0.692 33.879 13.005 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -4.506 33.507 14.777 1.00 0.00 H new ATOM 0 HE2 HIS A 52 -3.044 32.705 12.831 1.00 0.00 H new ATOM 869 N HIS A 53 0.967 37.990 16.079 1.00 0.00 N ATOM 870 CA HIS A 53 1.955 38.835 16.740 1.00 0.00 C ATOM 871 C HIS A 53 2.604 38.092 17.904 1.00 0.00 C ATOM 872 O HIS A 53 2.260 36.944 18.190 1.00 0.00 O ATOM 873 CB HIS A 53 1.289 40.113 17.256 1.00 0.00 C ATOM 874 CG HIS A 53 0.090 40.435 16.406 1.00 0.00 C ATOM 875 ND1 HIS A 53 0.101 40.292 15.028 1.00 0.00 N ATOM 876 CD2 HIS A 53 -1.163 40.894 16.726 1.00 0.00 C ATOM 877 CE1 HIS A 53 -1.110 40.660 14.572 1.00 0.00 C ATOM 878 NE2 HIS A 53 -1.919 41.036 15.566 1.00 0.00 N ATOM 0 H HIS A 53 0.121 37.819 16.622 1.00 0.00 H new ATOM 0 HA HIS A 53 2.726 39.095 16.014 1.00 0.00 H new ATOM 0 HB2 HIS A 53 0.987 39.984 18.295 1.00 0.00 H new ATOM 0 HB3 HIS A 53 1.998 40.940 17.231 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -1.510 41.112 17.725 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -1.393 40.652 13.530 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -2.884 41.358 15.491 1.00 0.00 H new ATOM 887 N HIS A 54 3.543 38.753 18.573 1.00 0.00 N ATOM 888 CA HIS A 54 4.231 38.143 19.704 1.00 0.00 C ATOM 889 C HIS A 54 3.308 38.077 20.917 1.00 0.00 C ATOM 890 O HIS A 54 2.086 38.129 20.782 1.00 0.00 O ATOM 891 CB HIS A 54 5.481 38.953 20.060 1.00 0.00 C ATOM 892 CG HIS A 54 6.080 39.532 18.807 1.00 0.00 C ATOM 893 ND1 HIS A 54 5.761 39.056 17.545 1.00 0.00 N ATOM 894 CD2 HIS A 54 6.980 40.549 18.608 1.00 0.00 C ATOM 895 CE1 HIS A 54 6.459 39.780 16.651 1.00 0.00 C ATOM 896 NE2 HIS A 54 7.218 40.704 17.247 1.00 0.00 N ATOM 0 H HIS A 54 3.843 39.703 18.354 1.00 0.00 H new ATOM 0 HA HIS A 54 4.523 37.131 19.422 1.00 0.00 H new ATOM 0 HB2 HIS A 54 5.223 39.752 20.755 1.00 0.00 H new ATOM 0 HB3 HIS A 54 6.209 38.316 20.563 1.00 0.00 H new ATOM 0 HD2 HIS A 54 7.434 41.139 19.390 1.00 0.00 H new ATOM 0 HE1 HIS A 54 6.411 39.632 15.582 1.00 0.00 H new ATOM 0 HE2 HIS A 54 7.839 41.378 16.800 1.00 0.00 H new ATOM 905 N HIS A 55 3.901 37.962 22.100 1.00 0.00 N ATOM 906 CA HIS A 55 3.120 37.890 23.330 1.00 0.00 C ATOM 907 C HIS A 55 4.020 38.069 24.548 1.00 0.00 C ATOM 908 O HIS A 55 3.827 38.988 25.344 1.00 0.00 O ATOM 909 CB HIS A 55 2.404 36.541 23.418 1.00 0.00 C ATOM 910 CG HIS A 55 1.850 36.359 24.804 1.00 0.00 C ATOM 911 ND1 HIS A 55 2.187 35.275 25.600 1.00 0.00 N ATOM 912 CD2 HIS A 55 0.980 37.116 25.550 1.00 0.00 C ATOM 913 CE1 HIS A 55 1.530 35.409 26.767 1.00 0.00 C ATOM 914 NE2 HIS A 55 0.779 36.513 26.788 1.00 0.00 N ATOM 0 H HIS A 55 4.911 37.917 22.234 1.00 0.00 H new ATOM 0 HA HIS A 55 2.382 38.692 23.315 1.00 0.00 H new ATOM 0 HB2 HIS A 55 1.599 36.495 22.684 1.00 0.00 H new ATOM 0 HB3 HIS A 55 3.097 35.733 23.182 1.00 0.00 H new ATOM 0 HD2 HIS A 55 0.522 38.039 25.225 1.00 0.00 H new ATOM 0 HE1 HIS A 55 1.601 34.709 27.586 1.00 0.00 H new ATOM 0 HE2 HIS A 55 0.185 36.844 27.549 1.00 0.00 H new ATOM 923 N HIS A 56 5.002 37.186 24.687 1.00 0.00 N ATOM 924 CA HIS A 56 5.925 37.256 25.813 1.00 0.00 C ATOM 925 C HIS A 56 5.212 37.780 27.054 1.00 0.00 C ATOM 926 O HIS A 56 4.604 37.014 27.803 1.00 0.00 O ATOM 927 CB HIS A 56 7.098 38.174 25.468 1.00 0.00 C ATOM 928 CG HIS A 56 8.233 37.354 24.918 1.00 0.00 C ATOM 929 ND1 HIS A 56 8.030 36.128 24.303 1.00 0.00 N ATOM 930 CD2 HIS A 56 9.588 37.573 24.882 1.00 0.00 C ATOM 931 CE1 HIS A 56 9.234 35.660 23.927 1.00 0.00 C ATOM 932 NE2 HIS A 56 10.219 36.501 24.256 1.00 0.00 N ATOM 0 H HIS A 56 5.179 36.418 24.039 1.00 0.00 H new ATOM 0 HA HIS A 56 6.299 36.253 26.019 1.00 0.00 H new ATOM 0 HB2 HIS A 56 6.787 38.920 24.737 1.00 0.00 H new ATOM 0 HB3 HIS A 56 7.424 38.715 26.356 1.00 0.00 H new ATOM 0 HD2 HIS A 56 10.088 38.444 25.279 1.00 0.00 H new ATOM 0 HE1 HIS A 56 9.386 34.718 23.420 1.00 0.00 H new ATOM 0 HE2 HIS A 56 11.218 36.383 24.085 1.00 0.00 H new ATOM 941 N HIS A 57 5.290 39.089 27.268 1.00 0.00 N ATOM 942 CA HIS A 57 4.647 39.704 28.424 1.00 0.00 C ATOM 943 C HIS A 57 5.141 39.063 29.717 1.00 0.00 C ATOM 944 O HIS A 57 5.577 39.755 30.637 1.00 0.00 O ATOM 945 CB HIS A 57 3.128 39.547 28.322 1.00 0.00 C ATOM 946 CG HIS A 57 2.457 40.606 29.151 1.00 0.00 C ATOM 947 ND1 HIS A 57 3.053 41.147 30.281 1.00 0.00 N ATOM 948 CD2 HIS A 57 1.244 41.236 29.029 1.00 0.00 C ATOM 949 CE1 HIS A 57 2.203 42.060 30.788 1.00 0.00 C ATOM 950 NE2 HIS A 57 1.085 42.153 30.064 1.00 0.00 N ATOM 0 H HIS A 57 5.788 39.741 26.661 1.00 0.00 H new ATOM 0 HA HIS A 57 4.903 40.764 28.437 1.00 0.00 H new ATOM 0 HB2 HIS A 57 2.812 39.630 27.282 1.00 0.00 H new ATOM 0 HB3 HIS A 57 2.830 38.557 28.667 1.00 0.00 H new ATOM 0 HD1 HIS A 57 3.967 40.899 30.659 1.00 0.00 H new ATOM 0 HD2 HIS A 57 0.522 41.049 28.248 1.00 0.00 H new ATOM 0 HE1 HIS A 57 2.402 42.646 31.673 1.00 0.00 H new TER 959 HIS A 57