USER MOD reduce.3.24.130724 H: found=0, std=0, add=327, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 327 hydrogens (2 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 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN : amide:sc= -0.041 K(o=-0.041,f=-2!) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -4.31 X(o=-4.3,f=-4.3!) USER MOD Single : A 17 LYS NZ :NH3+ -146:sc= 0 (180deg=-0.618) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 ASN : amide:sc= -0.112 X(o=-0.11,f=0) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -10.855 -28.773 -20.792 1.00 0.00 N ATOM 2 CA PRO A 1 -9.393 -28.548 -20.780 1.00 0.00 C ATOM 3 C PRO A 1 -8.979 -27.596 -19.660 1.00 0.00 C ATOM 4 O PRO A 1 -9.825 -27.040 -18.960 1.00 0.00 O ATOM 5 CB PRO A 1 -9.020 -27.970 -22.140 1.00 0.00 C ATOM 6 CG PRO A 1 -10.224 -28.214 -22.991 1.00 0.00 C ATOM 7 CD PRO A 1 -11.416 -28.272 -22.061 1.00 0.00 C ATOM 0 H2 PRO A 1 -11.290 -28.295 -20.003 1.00 0.00 H new ATOM 0 H3 PRO A 1 -11.058 -29.767 -20.687 1.00 0.00 H new ATOM 0 HA PRO A 1 -8.871 -29.487 -20.596 1.00 0.00 H new ATOM 0 HB2 PRO A 1 -8.792 -26.906 -22.071 1.00 0.00 H new ATOM 0 HB3 PRO A 1 -8.137 -28.459 -22.551 1.00 0.00 H new ATOM 0 HG2 PRO A 1 -10.346 -27.418 -23.725 1.00 0.00 H new ATOM 0 HG3 PRO A 1 -10.122 -29.146 -23.546 1.00 0.00 H new ATOM 0 HD2 PRO A 1 -11.872 -27.290 -21.935 1.00 0.00 H new ATOM 0 HD3 PRO A 1 -12.190 -28.937 -22.445 1.00 0.00 H new ATOM 15 N ASP A 2 -7.673 -27.415 -19.498 1.00 0.00 N ATOM 16 CA ASP A 2 -7.145 -26.531 -18.465 1.00 0.00 C ATOM 17 C ASP A 2 -7.088 -25.091 -18.961 1.00 0.00 C ATOM 18 O ASP A 2 -7.517 -24.790 -20.075 1.00 0.00 O ATOM 19 CB ASP A 2 -5.752 -26.992 -18.033 1.00 0.00 C ATOM 20 CG ASP A 2 -5.803 -28.052 -16.950 1.00 0.00 C ATOM 21 OD1 ASP A 2 -6.325 -29.155 -17.222 1.00 0.00 O ATOM 22 OD2 ASP A 2 -5.324 -27.779 -15.829 1.00 0.00 O ATOM 0 H ASP A 2 -6.960 -27.869 -20.069 1.00 0.00 H new ATOM 0 HA ASP A 2 -7.815 -26.574 -17.606 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -5.218 -27.386 -18.898 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -5.184 -26.134 -17.672 1.00 0.00 H new ATOM 27 N LYS A 3 -6.556 -24.202 -18.127 1.00 0.00 N ATOM 28 CA LYS A 3 -6.443 -22.793 -18.483 1.00 0.00 C ATOM 29 C LYS A 3 -5.590 -22.040 -17.467 1.00 0.00 C ATOM 30 O LYS A 3 -4.556 -21.468 -17.812 1.00 0.00 O ATOM 31 CB LYS A 3 -7.830 -22.156 -18.576 1.00 0.00 C ATOM 32 CG LYS A 3 -8.434 -22.213 -19.970 1.00 0.00 C ATOM 33 CD LYS A 3 -9.204 -20.944 -20.298 1.00 0.00 C ATOM 34 CE LYS A 3 -10.258 -21.189 -21.365 1.00 0.00 C ATOM 35 NZ LYS A 3 -11.639 -21.059 -20.823 1.00 0.00 N ATOM 0 H LYS A 3 -6.197 -24.433 -17.201 1.00 0.00 H new ATOM 0 HA LYS A 3 -5.956 -22.728 -19.456 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -8.499 -22.659 -17.878 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -7.764 -21.115 -18.260 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -7.642 -22.359 -20.705 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -9.100 -23.073 -20.044 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -9.681 -20.564 -19.395 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -8.511 -20.175 -20.640 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -10.120 -20.479 -22.181 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -10.125 -22.186 -21.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -12.328 -21.234 -21.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -11.780 -21.753 -20.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -11.775 -20.099 -20.446 1.00 0.00 H new ATOM 49 N ASP A 4 -6.030 -22.043 -16.213 1.00 0.00 N ATOM 50 CA ASP A 4 -5.308 -21.360 -15.147 1.00 0.00 C ATOM 51 C ASP A 4 -5.951 -21.629 -13.791 1.00 0.00 C ATOM 52 O ASP A 4 -5.259 -21.841 -12.796 1.00 0.00 O ATOM 53 CB ASP A 4 -5.268 -19.853 -15.416 1.00 0.00 C ATOM 54 CG ASP A 4 -3.979 -19.418 -16.084 1.00 0.00 C ATOM 55 OD1 ASP A 4 -2.926 -19.437 -15.411 1.00 0.00 O ATOM 56 OD2 ASP A 4 -4.020 -19.059 -17.279 1.00 0.00 O ATOM 0 H ASP A 4 -6.884 -22.511 -15.910 1.00 0.00 H new ATOM 0 HA ASP A 4 -4.289 -21.748 -15.127 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -6.112 -19.577 -16.048 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -5.385 -19.316 -14.475 1.00 0.00 H new ATOM 61 N PHE A 5 -7.280 -21.619 -13.759 1.00 0.00 N ATOM 62 CA PHE A 5 -8.018 -21.863 -12.524 1.00 0.00 C ATOM 63 C PHE A 5 -7.692 -20.801 -11.479 1.00 0.00 C ATOM 64 O PHE A 5 -6.738 -20.941 -10.713 1.00 0.00 O ATOM 65 CB PHE A 5 -7.692 -23.253 -11.976 1.00 0.00 C ATOM 66 CG PHE A 5 -8.623 -24.326 -12.464 1.00 0.00 C ATOM 67 CD1 PHE A 5 -8.385 -24.975 -13.665 1.00 0.00 C ATOM 68 CD2 PHE A 5 -9.736 -24.686 -11.721 1.00 0.00 C ATOM 69 CE1 PHE A 5 -9.239 -25.962 -14.117 1.00 0.00 C ATOM 70 CE2 PHE A 5 -10.594 -25.673 -12.168 1.00 0.00 C ATOM 71 CZ PHE A 5 -10.345 -26.312 -13.367 1.00 0.00 C ATOM 0 H PHE A 5 -7.868 -21.445 -14.574 1.00 0.00 H new ATOM 0 HA PHE A 5 -9.083 -21.811 -12.749 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -6.671 -23.514 -12.256 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -7.726 -23.222 -10.887 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -7.521 -24.706 -14.255 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -9.935 -24.190 -10.783 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -9.042 -26.459 -15.055 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -11.458 -25.944 -11.580 1.00 0.00 H new ATOM 0 HZ PHE A 5 -11.014 -27.084 -13.718 1.00 0.00 H new ATOM 81 N ILE A 6 -8.491 -19.739 -11.453 1.00 0.00 N ATOM 82 CA ILE A 6 -8.290 -18.654 -10.501 1.00 0.00 C ATOM 83 C ILE A 6 -9.578 -18.342 -9.745 1.00 0.00 C ATOM 84 O ILE A 6 -10.095 -17.225 -9.806 1.00 0.00 O ATOM 85 CB ILE A 6 -7.793 -17.375 -11.204 1.00 0.00 C ATOM 86 CG1 ILE A 6 -6.638 -17.702 -12.152 1.00 0.00 C ATOM 87 CG2 ILE A 6 -7.366 -16.337 -10.176 1.00 0.00 C ATOM 88 CD1 ILE A 6 -5.466 -18.370 -11.469 1.00 0.00 C ATOM 0 H ILE A 6 -9.284 -19.607 -12.081 1.00 0.00 H new ATOM 0 HA ILE A 6 -7.530 -18.987 -9.794 1.00 0.00 H new ATOM 0 HB ILE A 6 -8.612 -16.960 -11.791 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -7.004 -18.352 -12.946 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -6.296 -16.782 -12.626 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -7.018 -15.440 -10.688 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -8.214 -16.085 -9.539 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -6.560 -16.741 -9.564 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -4.685 -18.572 -12.202 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -5.074 -17.712 -10.693 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -5.793 -19.307 -11.019 1.00 0.00 H new ATOM 100 N VAL A 7 -10.097 -19.340 -9.035 1.00 0.00 N ATOM 101 CA VAL A 7 -11.323 -19.181 -8.273 1.00 0.00 C ATOM 102 C VAL A 7 -11.041 -18.631 -6.875 1.00 0.00 C ATOM 103 O VAL A 7 -11.474 -19.199 -5.873 1.00 0.00 O ATOM 104 CB VAL A 7 -12.085 -20.517 -8.155 1.00 0.00 C ATOM 105 CG1 VAL A 7 -11.237 -21.560 -7.443 1.00 0.00 C ATOM 106 CG2 VAL A 7 -13.415 -20.318 -7.441 1.00 0.00 C ATOM 0 H VAL A 7 -9.682 -20.270 -8.974 1.00 0.00 H new ATOM 0 HA VAL A 7 -11.943 -18.467 -8.814 1.00 0.00 H new ATOM 0 HB VAL A 7 -12.293 -20.881 -9.161 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -11.794 -22.494 -7.371 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -10.318 -21.728 -8.005 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -10.990 -21.207 -6.442 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -13.936 -21.273 -7.369 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -13.235 -19.926 -6.440 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -14.027 -19.612 -8.002 1.00 0.00 H new ATOM 116 N ASN A 8 -10.313 -17.520 -6.816 1.00 0.00 N ATOM 117 CA ASN A 8 -9.976 -16.896 -5.541 1.00 0.00 C ATOM 118 C ASN A 8 -10.288 -15.401 -5.569 1.00 0.00 C ATOM 119 O ASN A 8 -10.285 -14.779 -6.631 1.00 0.00 O ATOM 120 CB ASN A 8 -8.496 -17.113 -5.218 1.00 0.00 C ATOM 121 CG ASN A 8 -7.590 -16.707 -6.363 1.00 0.00 C ATOM 122 OD1 ASN A 8 -7.261 -17.519 -7.228 1.00 0.00 O ATOM 123 ND2 ASN A 8 -7.179 -15.444 -6.375 1.00 0.00 N ATOM 0 H ASN A 8 -9.946 -17.034 -7.634 1.00 0.00 H new ATOM 0 HA ASN A 8 -10.582 -17.362 -4.765 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -8.233 -16.540 -4.329 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -8.329 -18.164 -4.981 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -6.567 -15.114 -7.121 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -7.476 -14.804 -5.638 1.00 0.00 H new ATOM 130 N PRO A 9 -10.564 -14.798 -4.398 1.00 0.00 N ATOM 131 CA PRO A 9 -10.880 -13.373 -4.290 1.00 0.00 C ATOM 132 C PRO A 9 -9.632 -12.493 -4.343 1.00 0.00 C ATOM 133 O PRO A 9 -9.432 -11.632 -3.486 1.00 0.00 O ATOM 134 CB PRO A 9 -11.564 -13.251 -2.914 1.00 0.00 C ATOM 135 CG PRO A 9 -11.630 -14.638 -2.354 1.00 0.00 C ATOM 136 CD PRO A 9 -10.597 -15.446 -3.085 1.00 0.00 C ATOM 0 HA PRO A 9 -11.503 -13.036 -5.119 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -10.998 -12.592 -2.255 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -12.562 -12.823 -3.012 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -11.431 -14.633 -1.282 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -12.624 -15.064 -2.491 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -9.627 -15.410 -2.589 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -10.879 -16.496 -3.157 1.00 0.00 H new ATOM 144 N SER A 10 -8.797 -12.708 -5.355 1.00 0.00 N ATOM 145 CA SER A 10 -7.572 -11.930 -5.517 1.00 0.00 C ATOM 146 C SER A 10 -6.739 -11.943 -4.236 1.00 0.00 C ATOM 147 O SER A 10 -6.157 -10.930 -3.853 1.00 0.00 O ATOM 148 CB SER A 10 -7.908 -10.490 -5.909 1.00 0.00 C ATOM 149 OG SER A 10 -8.034 -10.359 -7.313 1.00 0.00 O ATOM 0 H SER A 10 -8.946 -13.414 -6.076 1.00 0.00 H new ATOM 0 HA SER A 10 -6.983 -12.389 -6.312 1.00 0.00 H new ATOM 0 HB2 SER A 10 -8.838 -10.187 -5.428 1.00 0.00 H new ATOM 0 HB3 SER A 10 -7.128 -9.820 -5.547 1.00 0.00 H new ATOM 0 HG SER A 10 -8.251 -9.430 -7.537 1.00 0.00 H new ATOM 155 N ASP A 11 -6.690 -13.099 -3.583 1.00 0.00 N ATOM 156 CA ASP A 11 -5.930 -13.249 -2.346 1.00 0.00 C ATOM 157 C ASP A 11 -6.486 -12.345 -1.250 1.00 0.00 C ATOM 158 O ASP A 11 -5.732 -11.692 -0.527 1.00 0.00 O ATOM 159 CB ASP A 11 -4.452 -12.932 -2.590 1.00 0.00 C ATOM 160 CG ASP A 11 -3.662 -14.150 -3.021 1.00 0.00 C ATOM 161 OD1 ASP A 11 -3.707 -15.171 -2.303 1.00 0.00 O ATOM 162 OD2 ASP A 11 -2.999 -14.086 -4.077 1.00 0.00 O ATOM 0 H ASP A 11 -7.168 -13.947 -3.889 1.00 0.00 H new ATOM 0 HA ASP A 11 -6.022 -14.284 -2.015 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -4.371 -12.160 -3.356 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -4.016 -12.524 -1.678 1.00 0.00 H new ATOM 167 N LEU A 12 -7.809 -12.316 -1.128 1.00 0.00 N ATOM 168 CA LEU A 12 -8.466 -11.494 -0.118 1.00 0.00 C ATOM 169 C LEU A 12 -8.136 -10.018 -0.314 1.00 0.00 C ATOM 170 O LEU A 12 -7.061 -9.556 0.068 1.00 0.00 O ATOM 171 CB LEU A 12 -8.044 -11.941 1.283 1.00 0.00 C ATOM 172 CG LEU A 12 -8.180 -13.441 1.553 1.00 0.00 C ATOM 173 CD1 LEU A 12 -7.018 -13.941 2.398 1.00 0.00 C ATOM 174 CD2 LEU A 12 -9.506 -13.740 2.237 1.00 0.00 C ATOM 0 H LEU A 12 -8.447 -12.852 -1.716 1.00 0.00 H new ATOM 0 HA LEU A 12 -9.543 -11.622 -0.226 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -7.005 -11.651 1.443 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -8.642 -11.400 2.016 1.00 0.00 H new ATOM 0 HG LEU A 12 -8.158 -13.966 0.598 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -7.133 -15.010 2.579 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -6.081 -13.761 1.871 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -7.006 -13.411 3.350 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -9.587 -14.811 2.422 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -9.556 -13.204 3.185 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -10.327 -13.420 1.595 1.00 0.00 H new ATOM 186 N VAL A 13 -9.068 -9.284 -0.913 1.00 0.00 N ATOM 187 CA VAL A 13 -8.878 -7.859 -1.160 1.00 0.00 C ATOM 188 C VAL A 13 -10.218 -7.133 -1.247 1.00 0.00 C ATOM 189 O VAL A 13 -10.650 -6.730 -2.326 1.00 0.00 O ATOM 190 CB VAL A 13 -8.080 -7.619 -2.457 1.00 0.00 C ATOM 191 CG1 VAL A 13 -8.801 -8.224 -3.650 1.00 0.00 C ATOM 192 CG2 VAL A 13 -7.831 -6.133 -2.669 1.00 0.00 C ATOM 0 H VAL A 13 -9.963 -9.652 -1.236 1.00 0.00 H new ATOM 0 HA VAL A 13 -8.312 -7.460 -0.318 1.00 0.00 H new ATOM 0 HB VAL A 13 -7.113 -8.113 -2.360 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -8.221 -8.044 -4.555 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -8.915 -9.298 -3.500 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -9.785 -7.765 -3.752 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -7.266 -5.986 -3.590 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -8.785 -5.611 -2.741 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -7.263 -5.736 -1.828 1.00 0.00 H new ATOM 202 N LEU A 14 -10.870 -6.969 -0.100 1.00 0.00 N ATOM 203 CA LEU A 14 -12.154 -6.293 -0.041 1.00 0.00 C ATOM 204 C LEU A 14 -12.199 -5.311 1.125 1.00 0.00 C ATOM 205 O LEU A 14 -12.816 -5.584 2.154 1.00 0.00 O ATOM 206 CB LEU A 14 -13.291 -7.309 0.086 1.00 0.00 C ATOM 207 CG LEU A 14 -13.487 -8.225 -1.127 1.00 0.00 C ATOM 208 CD1 LEU A 14 -13.582 -7.408 -2.407 1.00 0.00 C ATOM 209 CD2 LEU A 14 -12.353 -9.238 -1.218 1.00 0.00 C ATOM 0 H LEU A 14 -10.526 -7.298 0.802 1.00 0.00 H new ATOM 0 HA LEU A 14 -12.282 -5.735 -0.968 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -13.106 -7.929 0.963 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -14.220 -6.769 0.267 1.00 0.00 H new ATOM 0 HG LEU A 14 -14.424 -8.768 -1.000 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -13.721 -8.077 -3.256 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -14.429 -6.725 -2.341 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -12.664 -6.836 -2.542 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -12.508 -9.881 -2.085 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -11.403 -8.713 -1.320 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -12.335 -9.847 -0.314 1.00 0.00 H new ATOM 221 N ASP A 15 -11.543 -4.168 0.954 1.00 0.00 N ATOM 222 CA ASP A 15 -11.508 -3.146 1.987 1.00 0.00 C ATOM 223 C ASP A 15 -11.191 -1.779 1.389 1.00 0.00 C ATOM 224 O ASP A 15 -10.268 -1.093 1.833 1.00 0.00 O ATOM 225 CB ASP A 15 -10.476 -3.506 3.059 1.00 0.00 C ATOM 226 CG ASP A 15 -10.901 -4.696 3.895 1.00 0.00 C ATOM 227 OD1 ASP A 15 -11.887 -4.567 4.651 1.00 0.00 O ATOM 228 OD2 ASP A 15 -10.250 -5.757 3.794 1.00 0.00 O ATOM 0 H ASP A 15 -11.028 -3.928 0.107 1.00 0.00 H new ATOM 0 HA ASP A 15 -12.494 -3.098 2.450 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -9.521 -3.724 2.581 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -10.318 -2.646 3.710 1.00 0.00 H new ATOM 233 N ASN A 16 -11.965 -1.391 0.376 1.00 0.00 N ATOM 234 CA ASN A 16 -11.784 -0.105 -0.297 1.00 0.00 C ATOM 235 C ASN A 16 -10.309 0.193 -0.560 1.00 0.00 C ATOM 236 O ASN A 16 -9.651 0.871 0.229 1.00 0.00 O ATOM 237 CB ASN A 16 -12.407 1.024 0.529 1.00 0.00 C ATOM 238 CG ASN A 16 -11.850 1.092 1.936 1.00 0.00 C ATOM 239 OD1 ASN A 16 -10.879 1.801 2.199 1.00 0.00 O ATOM 240 ND2 ASN A 16 -12.466 0.355 2.853 1.00 0.00 N ATOM 0 H ASN A 16 -12.729 -1.954 0.001 1.00 0.00 H new ATOM 0 HA ASN A 16 -12.290 -0.167 -1.260 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -12.233 1.976 0.027 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -13.487 0.882 0.576 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -12.137 0.363 3.819 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -13.268 -0.219 2.592 1.00 0.00 H new ATOM 247 N LYS A 17 -9.798 -0.315 -1.679 1.00 0.00 N ATOM 248 CA LYS A 17 -8.404 -0.101 -2.055 1.00 0.00 C ATOM 249 C LYS A 17 -7.455 -0.564 -0.951 1.00 0.00 C ATOM 250 O LYS A 17 -6.560 0.172 -0.538 1.00 0.00 O ATOM 251 CB LYS A 17 -8.163 1.379 -2.365 1.00 0.00 C ATOM 252 CG LYS A 17 -8.728 1.820 -3.704 1.00 0.00 C ATOM 253 CD LYS A 17 -7.766 2.738 -4.443 1.00 0.00 C ATOM 254 CE LYS A 17 -7.544 4.037 -3.686 1.00 0.00 C ATOM 255 NZ LYS A 17 -6.520 4.896 -4.346 1.00 0.00 N ATOM 0 H LYS A 17 -10.330 -0.879 -2.342 1.00 0.00 H new ATOM 0 HA LYS A 17 -8.202 -0.694 -2.947 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -8.608 1.984 -1.575 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -7.091 1.575 -2.350 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -8.939 0.944 -4.317 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -9.676 2.335 -3.548 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -6.812 2.230 -4.584 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -8.160 2.957 -5.436 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -8.485 4.582 -3.616 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -7.229 3.814 -2.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -5.984 5.416 -3.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -5.869 4.300 -4.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -6.991 5.572 -4.981 1.00 0.00 H new ATOM 269 N ALA A 18 -7.656 -1.790 -0.480 1.00 0.00 N ATOM 270 CA ALA A 18 -6.818 -2.349 0.571 1.00 0.00 C ATOM 271 C ALA A 18 -5.431 -2.697 0.043 1.00 0.00 C ATOM 272 O ALA A 18 -4.466 -1.967 0.271 1.00 0.00 O ATOM 273 CB ALA A 18 -7.482 -3.575 1.182 1.00 0.00 C ATOM 0 H ALA A 18 -8.392 -2.414 -0.810 1.00 0.00 H new ATOM 0 HA ALA A 18 -6.699 -1.593 1.347 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -6.843 -3.982 1.966 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -8.445 -3.293 1.608 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -7.634 -4.329 0.410 1.00 0.00 H new ATOM 279 N ALA A 19 -5.336 -3.820 -0.664 1.00 0.00 N ATOM 280 CA ALA A 19 -4.069 -4.267 -1.223 1.00 0.00 C ATOM 281 C ALA A 19 -3.641 -3.399 -2.404 1.00 0.00 C ATOM 282 O ALA A 19 -2.480 -3.425 -2.811 1.00 0.00 O ATOM 283 CB ALA A 19 -4.164 -5.725 -1.643 1.00 0.00 C ATOM 0 H ALA A 19 -6.124 -4.436 -0.862 1.00 0.00 H new ATOM 0 HA ALA A 19 -3.309 -4.170 -0.448 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.209 -6.047 -2.059 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -4.406 -6.339 -0.775 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.944 -5.837 -2.396 1.00 0.00 H new ATOM 289 N LEU A 20 -4.581 -2.636 -2.954 1.00 0.00 N ATOM 290 CA LEU A 20 -4.289 -1.764 -4.088 1.00 0.00 C ATOM 291 C LEU A 20 -3.143 -0.813 -3.760 1.00 0.00 C ATOM 292 O LEU A 20 -2.343 -0.466 -4.629 1.00 0.00 O ATOM 293 CB LEU A 20 -5.536 -0.970 -4.483 1.00 0.00 C ATOM 294 CG LEU A 20 -5.821 -0.916 -5.984 1.00 0.00 C ATOM 295 CD1 LEU A 20 -4.668 -0.252 -6.723 1.00 0.00 C ATOM 296 CD2 LEU A 20 -6.071 -2.313 -6.530 1.00 0.00 C ATOM 0 H LEU A 20 -5.549 -2.603 -2.634 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.987 -2.389 -4.929 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -6.400 -1.405 -3.980 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -5.432 0.049 -4.112 1.00 0.00 H new ATOM 0 HG LEU A 20 -6.719 -0.319 -6.142 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -4.889 -0.223 -7.790 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -4.535 0.764 -6.352 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.753 -0.821 -6.557 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -6.272 -2.255 -7.600 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -5.191 -2.933 -6.359 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -6.929 -2.754 -6.023 1.00 0.00 H new ATOM 308 N ARG A 21 -3.068 -0.396 -2.500 1.00 0.00 N ATOM 309 CA ARG A 21 -2.024 0.509 -2.061 1.00 0.00 C ATOM 310 C ARG A 21 -0.895 -0.250 -1.376 1.00 0.00 C ATOM 311 O ARG A 21 0.263 0.163 -1.424 1.00 0.00 O ATOM 312 CB ARG A 21 -2.595 1.573 -1.119 1.00 0.00 C ATOM 313 CG ARG A 21 -2.117 2.981 -1.432 1.00 0.00 C ATOM 314 CD ARG A 21 -2.733 3.504 -2.719 1.00 0.00 C ATOM 315 NE ARG A 21 -1.847 3.316 -3.866 1.00 0.00 N ATOM 316 CZ ARG A 21 -2.127 3.743 -5.096 1.00 0.00 C ATOM 317 NH1 ARG A 21 -3.264 4.383 -5.342 1.00 0.00 N ATOM 318 NH2 ARG A 21 -1.267 3.529 -6.083 1.00 0.00 N ATOM 0 H ARG A 21 -3.721 -0.674 -1.768 1.00 0.00 H new ATOM 0 HA ARG A 21 -1.617 1.004 -2.943 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -3.683 1.547 -1.172 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -2.320 1.324 -0.094 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -2.375 3.646 -0.607 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -1.030 2.987 -1.519 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -3.678 2.992 -2.903 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -2.961 4.564 -2.607 1.00 0.00 H new ATOM 0 HE ARG A 21 -0.963 2.830 -3.716 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -3.929 4.550 -4.587 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -3.473 4.708 -6.286 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -0.392 3.038 -5.900 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -1.481 3.856 -7.025 1.00 0.00 H new ATOM 332 N ASP A 22 -1.241 -1.363 -0.745 1.00 0.00 N ATOM 333 CA ASP A 22 -0.257 -2.182 -0.058 1.00 0.00 C ATOM 334 C ASP A 22 0.622 -2.906 -1.060 1.00 0.00 C ATOM 335 O ASP A 22 1.823 -3.071 -0.847 1.00 0.00 O ATOM 336 CB ASP A 22 -0.941 -3.187 0.871 1.00 0.00 C ATOM 337 CG ASP A 22 -0.070 -3.569 2.052 1.00 0.00 C ATOM 338 OD1 ASP A 22 1.039 -4.096 1.825 1.00 0.00 O ATOM 339 OD2 ASP A 22 -0.497 -3.342 3.202 1.00 0.00 O ATOM 0 H ASP A 22 -2.196 -1.718 -0.695 1.00 0.00 H new ATOM 0 HA ASP A 22 0.369 -1.526 0.547 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -1.876 -2.762 1.235 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.197 -4.084 0.307 1.00 0.00 H new ATOM 344 N TYR A 23 0.020 -3.312 -2.165 1.00 0.00 N ATOM 345 CA TYR A 23 0.757 -3.993 -3.218 1.00 0.00 C ATOM 346 C TYR A 23 1.847 -3.076 -3.741 1.00 0.00 C ATOM 347 O TYR A 23 2.924 -3.524 -4.137 1.00 0.00 O ATOM 348 CB TYR A 23 -0.180 -4.414 -4.351 1.00 0.00 C ATOM 349 CG TYR A 23 0.496 -5.246 -5.419 1.00 0.00 C ATOM 350 CD1 TYR A 23 1.138 -6.434 -5.098 1.00 0.00 C ATOM 351 CD2 TYR A 23 0.491 -4.841 -6.748 1.00 0.00 C ATOM 352 CE1 TYR A 23 1.756 -7.196 -6.070 1.00 0.00 C ATOM 353 CE2 TYR A 23 1.106 -5.597 -7.727 1.00 0.00 C ATOM 354 CZ TYR A 23 1.738 -6.775 -7.383 1.00 0.00 C ATOM 355 OH TYR A 23 2.352 -7.531 -8.354 1.00 0.00 O ATOM 0 H TYR A 23 -0.973 -3.183 -2.357 1.00 0.00 H new ATOM 0 HA TYR A 23 1.211 -4.895 -2.809 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -1.011 -4.981 -3.932 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -0.604 -3.521 -4.811 1.00 0.00 H new ATOM 0 HD1 TYR A 23 1.155 -6.768 -4.071 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -0.002 -3.920 -7.020 1.00 0.00 H new ATOM 0 HE1 TYR A 23 2.251 -8.118 -5.803 1.00 0.00 H new ATOM 0 HE2 TYR A 23 1.092 -5.268 -8.756 1.00 0.00 H new ATOM 0 HH TYR A 23 2.246 -7.094 -9.225 1.00 0.00 H new ATOM 365 N LEU A 24 1.562 -1.781 -3.712 1.00 0.00 N ATOM 366 CA LEU A 24 2.512 -0.780 -4.150 1.00 0.00 C ATOM 367 C LEU A 24 3.518 -0.492 -3.041 1.00 0.00 C ATOM 368 O LEU A 24 4.646 -0.076 -3.303 1.00 0.00 O ATOM 369 CB LEU A 24 1.789 0.506 -4.562 1.00 0.00 C ATOM 370 CG LEU A 24 2.039 0.956 -6.003 1.00 0.00 C ATOM 371 CD1 LEU A 24 3.522 1.195 -6.236 1.00 0.00 C ATOM 372 CD2 LEU A 24 1.503 -0.078 -6.983 1.00 0.00 C ATOM 0 H LEU A 24 0.673 -1.402 -3.386 1.00 0.00 H new ATOM 0 HA LEU A 24 3.047 -1.165 -5.018 1.00 0.00 H new ATOM 0 HB2 LEU A 24 0.717 0.363 -4.423 1.00 0.00 H new ATOM 0 HB3 LEU A 24 2.094 1.308 -3.889 1.00 0.00 H new ATOM 0 HG LEU A 24 1.510 1.894 -6.169 1.00 0.00 H new ATOM 0 HD11 LEU A 24 3.682 1.514 -7.266 1.00 0.00 H new ATOM 0 HD12 LEU A 24 3.877 1.970 -5.557 1.00 0.00 H new ATOM 0 HD13 LEU A 24 4.072 0.272 -6.053 1.00 0.00 H new ATOM 0 HD21 LEU A 24 1.689 0.257 -8.003 1.00 0.00 H new ATOM 0 HD22 LEU A 24 2.005 -1.031 -6.817 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.431 -0.202 -6.831 1.00 0.00 H new ATOM 384 N ARG A 25 3.099 -0.723 -1.799 1.00 0.00 N ATOM 385 CA ARG A 25 3.960 -0.496 -0.650 1.00 0.00 C ATOM 386 C ARG A 25 4.925 -1.660 -0.457 1.00 0.00 C ATOM 387 O ARG A 25 6.015 -1.493 0.087 1.00 0.00 O ATOM 388 CB ARG A 25 3.123 -0.291 0.614 1.00 0.00 C ATOM 389 CG ARG A 25 3.660 0.797 1.530 1.00 0.00 C ATOM 390 CD ARG A 25 4.517 0.214 2.642 1.00 0.00 C ATOM 391 NE ARG A 25 3.716 -0.184 3.799 1.00 0.00 N ATOM 392 CZ ARG A 25 4.149 -1.004 4.752 1.00 0.00 C ATOM 393 NH1 ARG A 25 5.372 -1.513 4.695 1.00 0.00 N ATOM 394 NH2 ARG A 25 3.355 -1.315 5.769 1.00 0.00 N ATOM 0 H ARG A 25 2.167 -1.067 -1.567 1.00 0.00 H new ATOM 0 HA ARG A 25 4.542 0.407 -0.837 1.00 0.00 H new ATOM 0 HB2 ARG A 25 2.102 -0.041 0.327 1.00 0.00 H new ATOM 0 HB3 ARG A 25 3.078 -1.230 1.166 1.00 0.00 H new ATOM 0 HG2 ARG A 25 4.249 1.506 0.948 1.00 0.00 H new ATOM 0 HG3 ARG A 25 2.829 1.353 1.963 1.00 0.00 H new ATOM 0 HD2 ARG A 25 5.063 -0.651 2.264 1.00 0.00 H new ATOM 0 HD3 ARG A 25 5.260 0.949 2.951 1.00 0.00 H new ATOM 0 HE ARG A 25 2.770 0.189 3.880 1.00 0.00 H new ATOM 0 HH11 ARG A 25 5.987 -1.276 3.917 1.00 0.00 H new ATOM 0 HH12 ARG A 25 5.698 -2.141 5.430 1.00 0.00 H new ATOM 0 HH21 ARG A 25 2.414 -0.925 5.819 1.00 0.00 H new ATOM 0 HH22 ARG A 25 3.686 -1.944 6.501 1.00 0.00 H new ATOM 408 N GLN A 26 4.512 -2.840 -0.906 1.00 0.00 N ATOM 409 CA GLN A 26 5.335 -4.033 -0.784 1.00 0.00 C ATOM 410 C GLN A 26 6.144 -4.276 -2.052 1.00 0.00 C ATOM 411 O GLN A 26 7.162 -4.968 -2.026 1.00 0.00 O ATOM 412 CB GLN A 26 4.465 -5.251 -0.473 1.00 0.00 C ATOM 413 CG GLN A 26 3.907 -5.256 0.941 1.00 0.00 C ATOM 414 CD GLN A 26 4.329 -6.480 1.731 1.00 0.00 C ATOM 415 OE1 GLN A 26 3.559 -7.427 1.891 1.00 0.00 O ATOM 416 NE2 GLN A 26 5.560 -6.467 2.232 1.00 0.00 N ATOM 0 H GLN A 26 3.611 -2.994 -1.358 1.00 0.00 H new ATOM 0 HA GLN A 26 6.032 -3.876 0.039 1.00 0.00 H new ATOM 0 HB2 GLN A 26 3.637 -5.286 -1.181 1.00 0.00 H new ATOM 0 HB3 GLN A 26 5.053 -6.156 -0.625 1.00 0.00 H new ATOM 0 HG2 GLN A 26 4.241 -4.359 1.462 1.00 0.00 H new ATOM 0 HG3 GLN A 26 2.819 -5.213 0.898 1.00 0.00 H new ATOM 0 HE21 GLN A 26 6.166 -5.661 2.076 1.00 0.00 H new ATOM 0 HE22 GLN A 26 5.899 -7.263 2.773 1.00 0.00 H new ATOM 425 N ILE A 27 5.691 -3.701 -3.161 1.00 0.00 N ATOM 426 CA ILE A 27 6.381 -3.852 -4.437 1.00 0.00 C ATOM 427 C ILE A 27 7.856 -3.496 -4.294 1.00 0.00 C ATOM 428 O ILE A 27 8.730 -4.178 -4.826 1.00 0.00 O ATOM 429 CB ILE A 27 5.724 -2.977 -5.534 1.00 0.00 C ATOM 430 CG1 ILE A 27 5.665 -3.743 -6.857 1.00 0.00 C ATOM 431 CG2 ILE A 27 6.458 -1.652 -5.716 1.00 0.00 C ATOM 432 CD1 ILE A 27 7.026 -4.061 -7.434 1.00 0.00 C ATOM 0 H ILE A 27 4.849 -3.126 -3.202 1.00 0.00 H new ATOM 0 HA ILE A 27 6.299 -4.896 -4.739 1.00 0.00 H new ATOM 0 HB ILE A 27 4.709 -2.746 -5.211 1.00 0.00 H new ATOM 0 HG12 ILE A 27 5.118 -4.673 -6.704 1.00 0.00 H new ATOM 0 HG13 ILE A 27 5.100 -3.157 -7.582 1.00 0.00 H new ATOM 0 HG21 ILE A 27 5.966 -1.068 -6.494 1.00 0.00 H new ATOM 0 HG22 ILE A 27 6.442 -1.095 -4.779 1.00 0.00 H new ATOM 0 HG23 ILE A 27 7.491 -1.845 -6.005 1.00 0.00 H new ATOM 0 HD11 ILE A 27 6.906 -4.605 -8.371 1.00 0.00 H new ATOM 0 HD12 ILE A 27 7.568 -3.134 -7.619 1.00 0.00 H new ATOM 0 HD13 ILE A 27 7.586 -4.674 -6.728 1.00 0.00 H new ATOM 444 N ASN A 28 8.115 -2.419 -3.565 1.00 0.00 N ATOM 445 CA ASN A 28 9.472 -1.957 -3.336 1.00 0.00 C ATOM 446 C ASN A 28 10.138 -2.754 -2.223 1.00 0.00 C ATOM 447 O ASN A 28 11.364 -2.879 -2.189 1.00 0.00 O ATOM 448 CB ASN A 28 9.480 -0.465 -2.997 1.00 0.00 C ATOM 449 CG ASN A 28 10.382 0.333 -3.918 1.00 0.00 C ATOM 450 OD1 ASN A 28 11.300 1.018 -3.467 1.00 0.00 O ATOM 451 ND2 ASN A 28 10.125 0.246 -5.219 1.00 0.00 N ATOM 0 H ASN A 28 7.396 -1.848 -3.121 1.00 0.00 H new ATOM 0 HA ASN A 28 10.040 -2.111 -4.254 1.00 0.00 H new ATOM 0 HB2 ASN A 28 8.464 -0.075 -3.061 1.00 0.00 H new ATOM 0 HB3 ASN A 28 9.808 -0.331 -1.966 1.00 0.00 H new ATOM 0 HD21 ASN A 28 10.699 0.759 -5.888 1.00 0.00 H new ATOM 0 HD22 ASN A 28 9.354 -0.334 -5.549 1.00 0.00 H new ATOM 458 N GLU A 29 9.334 -3.308 -1.317 1.00 0.00 N ATOM 459 CA GLU A 29 9.869 -4.100 -0.222 1.00 0.00 C ATOM 460 C GLU A 29 9.952 -5.568 -0.612 1.00 0.00 C ATOM 461 O GLU A 29 9.905 -6.459 0.236 1.00 0.00 O ATOM 462 CB GLU A 29 9.024 -3.925 1.040 1.00 0.00 C ATOM 463 CG GLU A 29 9.213 -2.578 1.719 1.00 0.00 C ATOM 464 CD GLU A 29 10.609 -2.403 2.284 1.00 0.00 C ATOM 465 OE1 GLU A 29 11.098 -3.334 2.956 1.00 0.00 O ATOM 466 OE2 GLU A 29 11.212 -1.333 2.054 1.00 0.00 O ATOM 0 H GLU A 29 8.318 -3.221 -1.323 1.00 0.00 H new ATOM 0 HA GLU A 29 10.877 -3.744 -0.008 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.972 -4.048 0.782 1.00 0.00 H new ATOM 0 HB3 GLU A 29 9.274 -4.717 1.747 1.00 0.00 H new ATOM 0 HG2 GLU A 29 9.012 -1.782 1.002 1.00 0.00 H new ATOM 0 HG3 GLU A 29 8.484 -2.474 2.522 1.00 0.00 H new ATOM 473 N TYR A 30 10.099 -5.798 -1.906 1.00 0.00 N ATOM 474 CA TYR A 30 10.220 -7.133 -2.453 1.00 0.00 C ATOM 475 C TYR A 30 11.477 -7.222 -3.303 1.00 0.00 C ATOM 476 O TYR A 30 12.152 -8.249 -3.332 1.00 0.00 O ATOM 477 CB TYR A 30 8.987 -7.492 -3.285 1.00 0.00 C ATOM 478 CG TYR A 30 8.925 -8.952 -3.675 1.00 0.00 C ATOM 479 CD1 TYR A 30 9.724 -9.453 -4.696 1.00 0.00 C ATOM 480 CD2 TYR A 30 8.068 -9.829 -3.023 1.00 0.00 C ATOM 481 CE1 TYR A 30 9.671 -10.787 -5.054 1.00 0.00 C ATOM 482 CE2 TYR A 30 8.009 -11.164 -3.375 1.00 0.00 C ATOM 483 CZ TYR A 30 8.811 -11.638 -4.392 1.00 0.00 C ATOM 484 OH TYR A 30 8.756 -12.966 -4.746 1.00 0.00 O ATOM 0 H TYR A 30 10.138 -5.058 -2.607 1.00 0.00 H new ATOM 0 HA TYR A 30 10.291 -7.846 -1.631 1.00 0.00 H new ATOM 0 HB2 TYR A 30 8.091 -7.237 -2.720 1.00 0.00 H new ATOM 0 HB3 TYR A 30 8.978 -6.882 -4.189 1.00 0.00 H new ATOM 0 HD1 TYR A 30 10.397 -8.789 -5.218 1.00 0.00 H new ATOM 0 HD2 TYR A 30 7.437 -9.461 -2.227 1.00 0.00 H new ATOM 0 HE1 TYR A 30 10.300 -11.161 -5.848 1.00 0.00 H new ATOM 0 HE2 TYR A 30 7.338 -11.833 -2.856 1.00 0.00 H new ATOM 0 HH TYR A 30 8.101 -13.428 -4.182 1.00 0.00 H new ATOM 494 N PHE A 31 11.786 -6.124 -3.982 1.00 0.00 N ATOM 495 CA PHE A 31 12.964 -6.050 -4.823 1.00 0.00 C ATOM 496 C PHE A 31 14.169 -5.552 -4.027 1.00 0.00 C ATOM 497 O PHE A 31 15.311 -5.697 -4.462 1.00 0.00 O ATOM 498 CB PHE A 31 12.708 -5.129 -6.018 1.00 0.00 C ATOM 499 CG PHE A 31 11.982 -5.802 -7.147 1.00 0.00 C ATOM 500 CD1 PHE A 31 10.627 -6.075 -7.052 1.00 0.00 C ATOM 501 CD2 PHE A 31 12.653 -6.161 -8.305 1.00 0.00 C ATOM 502 CE1 PHE A 31 9.955 -6.693 -8.089 1.00 0.00 C ATOM 503 CE2 PHE A 31 11.987 -6.779 -9.346 1.00 0.00 C ATOM 504 CZ PHE A 31 10.637 -7.045 -9.237 1.00 0.00 C ATOM 0 H PHE A 31 11.230 -5.269 -3.963 1.00 0.00 H new ATOM 0 HA PHE A 31 13.183 -7.053 -5.190 1.00 0.00 H new ATOM 0 HB2 PHE A 31 12.128 -4.268 -5.686 1.00 0.00 H new ATOM 0 HB3 PHE A 31 13.661 -4.749 -6.385 1.00 0.00 H new ATOM 0 HD1 PHE A 31 10.089 -5.801 -6.156 1.00 0.00 H new ATOM 0 HD2 PHE A 31 13.709 -5.955 -8.395 1.00 0.00 H new ATOM 0 HE1 PHE A 31 8.899 -6.900 -8.002 1.00 0.00 H new ATOM 0 HE2 PHE A 31 12.522 -7.053 -10.243 1.00 0.00 H new ATOM 0 HZ PHE A 31 10.114 -7.528 -10.049 1.00 0.00 H new ATOM 514 N ALA A 32 13.911 -4.965 -2.856 1.00 0.00 N ATOM 515 CA ALA A 32 14.983 -4.453 -2.011 1.00 0.00 C ATOM 516 C ALA A 32 15.982 -5.552 -1.662 1.00 0.00 C ATOM 517 O ALA A 32 17.184 -5.304 -1.566 1.00 0.00 O ATOM 518 CB ALA A 32 14.406 -3.838 -0.744 1.00 0.00 C ATOM 0 H ALA A 32 12.973 -4.835 -2.476 1.00 0.00 H new ATOM 0 HA ALA A 32 15.514 -3.681 -2.568 1.00 0.00 H new ATOM 0 HB1 ALA A 32 15.217 -3.459 -0.122 1.00 0.00 H new ATOM 0 HB2 ALA A 32 13.739 -3.018 -1.009 1.00 0.00 H new ATOM 0 HB3 ALA A 32 13.849 -4.596 -0.193 1.00 0.00 H new ATOM 524 N ILE A 33 15.476 -6.766 -1.471 1.00 0.00 N ATOM 525 CA ILE A 33 16.319 -7.899 -1.129 1.00 0.00 C ATOM 526 C ILE A 33 16.824 -8.615 -2.379 1.00 0.00 C ATOM 527 O ILE A 33 18.022 -8.628 -2.657 1.00 0.00 O ATOM 528 CB ILE A 33 15.571 -8.909 -0.239 1.00 0.00 C ATOM 529 CG1 ILE A 33 14.895 -8.189 0.929 1.00 0.00 C ATOM 530 CG2 ILE A 33 16.527 -9.978 0.270 1.00 0.00 C ATOM 531 CD1 ILE A 33 14.134 -9.115 1.853 1.00 0.00 C ATOM 0 H ILE A 33 14.483 -6.988 -1.548 1.00 0.00 H new ATOM 0 HA ILE A 33 17.170 -7.499 -0.578 1.00 0.00 H new ATOM 0 HB ILE A 33 14.800 -9.396 -0.836 1.00 0.00 H new ATOM 0 HG12 ILE A 33 15.653 -7.657 1.505 1.00 0.00 H new ATOM 0 HG13 ILE A 33 14.209 -7.439 0.535 1.00 0.00 H new ATOM 0 HG21 ILE A 33 15.983 -10.684 0.897 1.00 0.00 H new ATOM 0 HG22 ILE A 33 16.965 -10.507 -0.576 1.00 0.00 H new ATOM 0 HG23 ILE A 33 17.319 -9.509 0.854 1.00 0.00 H new ATOM 0 HD11 ILE A 33 13.681 -8.535 2.657 1.00 0.00 H new ATOM 0 HD12 ILE A 33 13.353 -9.628 1.292 1.00 0.00 H new ATOM 0 HD13 ILE A 33 14.819 -9.850 2.277 1.00 0.00 H new ATOM 543 N ILE A 34 15.901 -9.215 -3.126 1.00 0.00 N ATOM 544 CA ILE A 34 16.253 -9.938 -4.343 1.00 0.00 C ATOM 545 C ILE A 34 16.976 -9.037 -5.341 1.00 0.00 C ATOM 546 O ILE A 34 17.689 -9.517 -6.222 1.00 0.00 O ATOM 547 CB ILE A 34 15.006 -10.543 -5.019 1.00 0.00 C ATOM 548 CG1 ILE A 34 15.412 -11.423 -6.203 1.00 0.00 C ATOM 549 CG2 ILE A 34 14.052 -9.442 -5.469 1.00 0.00 C ATOM 550 CD1 ILE A 34 14.363 -12.442 -6.589 1.00 0.00 C ATOM 0 H ILE A 34 14.904 -9.214 -2.909 1.00 0.00 H new ATOM 0 HA ILE A 34 16.923 -10.744 -4.043 1.00 0.00 H new ATOM 0 HB ILE A 34 14.488 -11.166 -4.290 1.00 0.00 H new ATOM 0 HG12 ILE A 34 15.622 -10.787 -7.063 1.00 0.00 H new ATOM 0 HG13 ILE A 34 16.338 -11.943 -5.958 1.00 0.00 H new ATOM 0 HG21 ILE A 34 13.178 -9.889 -5.944 1.00 0.00 H new ATOM 0 HG22 ILE A 34 13.736 -8.858 -4.604 1.00 0.00 H new ATOM 0 HG23 ILE A 34 14.558 -8.791 -6.181 1.00 0.00 H new ATOM 0 HD11 ILE A 34 14.720 -13.029 -7.435 1.00 0.00 H new ATOM 0 HD12 ILE A 34 14.170 -13.103 -5.744 1.00 0.00 H new ATOM 0 HD13 ILE A 34 13.442 -11.929 -6.866 1.00 0.00 H new ATOM 562 N GLY A 35 16.788 -7.732 -5.196 1.00 0.00 N ATOM 563 CA GLY A 35 17.430 -6.787 -6.090 1.00 0.00 C ATOM 564 C GLY A 35 18.819 -6.398 -5.624 1.00 0.00 C ATOM 565 O GLY A 35 19.809 -7.011 -6.021 1.00 0.00 O ATOM 0 H GLY A 35 16.202 -7.310 -4.475 1.00 0.00 H new ATOM 0 HA2 GLY A 35 17.493 -7.221 -7.088 1.00 0.00 H new ATOM 0 HA3 GLY A 35 16.813 -5.892 -6.171 1.00 0.00 H new ATOM 569 N ARG A 36 18.889 -5.376 -4.778 1.00 0.00 N ATOM 570 CA ARG A 36 20.166 -4.903 -4.254 1.00 0.00 C ATOM 571 C ARG A 36 19.978 -4.232 -2.897 1.00 0.00 C ATOM 572 O ARG A 36 18.881 -3.785 -2.564 1.00 0.00 O ATOM 573 CB ARG A 36 20.816 -3.926 -5.236 1.00 0.00 C ATOM 574 CG ARG A 36 19.845 -2.923 -5.837 1.00 0.00 C ATOM 575 CD ARG A 36 20.407 -2.288 -7.098 1.00 0.00 C ATOM 576 NE ARG A 36 19.511 -1.274 -7.647 1.00 0.00 N ATOM 577 CZ ARG A 36 19.577 -0.826 -8.898 1.00 0.00 C ATOM 578 NH1 ARG A 36 20.495 -1.298 -9.732 1.00 0.00 N ATOM 579 NH2 ARG A 36 18.724 0.100 -9.318 1.00 0.00 N ATOM 0 H ARG A 36 18.077 -4.859 -4.440 1.00 0.00 H new ATOM 0 HA ARG A 36 20.821 -5.765 -4.127 1.00 0.00 H new ATOM 0 HB2 ARG A 36 21.611 -3.385 -4.723 1.00 0.00 H new ATOM 0 HB3 ARG A 36 21.284 -4.492 -6.041 1.00 0.00 H new ATOM 0 HG2 ARG A 36 18.903 -3.421 -6.068 1.00 0.00 H new ATOM 0 HG3 ARG A 36 19.624 -2.146 -5.105 1.00 0.00 H new ATOM 0 HD2 ARG A 36 21.374 -1.836 -6.876 1.00 0.00 H new ATOM 0 HD3 ARG A 36 20.581 -3.061 -7.846 1.00 0.00 H new ATOM 0 HE ARG A 36 18.792 -0.886 -7.036 1.00 0.00 H new ATOM 0 HH11 ARG A 36 21.155 -2.008 -9.415 1.00 0.00 H new ATOM 0 HH12 ARG A 36 20.541 -0.951 -10.690 1.00 0.00 H new ATOM 0 HH21 ARG A 36 18.017 0.469 -8.682 1.00 0.00 H new ATOM 0 HH22 ARG A 36 18.775 0.443 -10.277 1.00 0.00 H new ATOM 593 N PRO A 37 21.052 -4.151 -2.092 1.00 0.00 N ATOM 594 CA PRO A 37 20.998 -3.528 -0.765 1.00 0.00 C ATOM 595 C PRO A 37 20.552 -2.071 -0.831 1.00 0.00 C ATOM 596 O PRO A 37 20.202 -1.566 -1.898 1.00 0.00 O ATOM 597 CB PRO A 37 22.441 -3.626 -0.252 1.00 0.00 C ATOM 598 CG PRO A 37 23.271 -3.883 -1.463 1.00 0.00 C ATOM 599 CD PRO A 37 22.397 -4.655 -2.407 1.00 0.00 C ATOM 0 HA PRO A 37 20.274 -4.021 -0.116 1.00 0.00 H new ATOM 0 HB2 PRO A 37 22.745 -2.705 0.245 1.00 0.00 H new ATOM 0 HB3 PRO A 37 22.546 -4.431 0.475 1.00 0.00 H new ATOM 0 HG2 PRO A 37 23.602 -2.948 -1.914 1.00 0.00 H new ATOM 0 HG3 PRO A 37 24.167 -4.450 -1.209 1.00 0.00 H new ATOM 0 HD2 PRO A 37 22.664 -4.471 -3.448 1.00 0.00 H new ATOM 0 HD3 PRO A 37 22.475 -5.730 -2.243 1.00 0.00 H new ATOM 607 N ARG A 38 20.564 -1.401 0.317 1.00 0.00 N ATOM 608 CA ARG A 38 20.161 -0.003 0.389 1.00 0.00 C ATOM 609 C ARG A 38 20.408 0.563 1.783 1.00 0.00 C ATOM 610 O ARG A 38 19.760 0.164 2.750 1.00 0.00 O ATOM 611 CB ARG A 38 18.683 0.143 0.021 1.00 0.00 C ATOM 612 CG ARG A 38 18.330 1.508 -0.547 1.00 0.00 C ATOM 613 CD ARG A 38 17.483 1.390 -1.805 1.00 0.00 C ATOM 614 NE ARG A 38 16.703 2.601 -2.055 1.00 0.00 N ATOM 615 CZ ARG A 38 16.171 2.907 -3.235 1.00 0.00 C ATOM 616 NH1 ARG A 38 16.328 2.096 -4.273 1.00 0.00 N ATOM 617 NH2 ARG A 38 15.477 4.028 -3.377 1.00 0.00 N ATOM 0 H ARG A 38 20.849 -1.805 1.210 1.00 0.00 H new ATOM 0 HA ARG A 38 20.763 0.560 -0.324 1.00 0.00 H new ATOM 0 HB2 ARG A 38 18.421 -0.624 -0.708 1.00 0.00 H new ATOM 0 HB3 ARG A 38 18.076 -0.040 0.908 1.00 0.00 H new ATOM 0 HG2 ARG A 38 17.790 2.086 0.203 1.00 0.00 H new ATOM 0 HG3 ARG A 38 19.245 2.056 -0.774 1.00 0.00 H new ATOM 0 HD2 ARG A 38 18.129 1.192 -2.660 1.00 0.00 H new ATOM 0 HD3 ARG A 38 16.810 0.538 -1.710 1.00 0.00 H new ATOM 0 HE ARG A 38 16.559 3.248 -1.280 1.00 0.00 H new ATOM 0 HH11 ARG A 38 16.859 1.232 -4.169 1.00 0.00 H new ATOM 0 HH12 ARG A 38 15.917 2.337 -5.175 1.00 0.00 H new ATOM 0 HH21 ARG A 38 15.352 4.654 -2.582 1.00 0.00 H new ATOM 0 HH22 ARG A 38 15.069 4.264 -4.281 1.00 0.00 H new ATOM 631 N PHE A 39 21.350 1.495 1.878 1.00 0.00 N ATOM 632 CA PHE A 39 21.685 2.118 3.153 1.00 0.00 C ATOM 633 C PHE A 39 21.722 3.636 3.024 1.00 0.00 C ATOM 634 O PHE A 39 21.890 4.173 1.927 1.00 0.00 O ATOM 635 CB PHE A 39 23.035 1.605 3.657 1.00 0.00 C ATOM 636 CG PHE A 39 24.166 1.855 2.703 1.00 0.00 C ATOM 637 CD1 PHE A 39 24.753 3.106 2.616 1.00 0.00 C ATOM 638 CD2 PHE A 39 24.645 0.837 1.891 1.00 0.00 C ATOM 639 CE1 PHE A 39 25.797 3.340 1.740 1.00 0.00 C ATOM 640 CE2 PHE A 39 25.687 1.064 1.013 1.00 0.00 C ATOM 641 CZ PHE A 39 26.263 2.318 0.937 1.00 0.00 C ATOM 0 H PHE A 39 21.896 1.836 1.086 1.00 0.00 H new ATOM 0 HA PHE A 39 20.911 1.851 3.873 1.00 0.00 H new ATOM 0 HB2 PHE A 39 23.263 2.082 4.610 1.00 0.00 H new ATOM 0 HB3 PHE A 39 22.960 0.534 3.846 1.00 0.00 H new ATOM 0 HD1 PHE A 39 24.391 3.909 3.240 1.00 0.00 H new ATOM 0 HD2 PHE A 39 24.198 -0.145 1.946 1.00 0.00 H new ATOM 0 HE1 PHE A 39 26.247 4.320 1.684 1.00 0.00 H new ATOM 0 HE2 PHE A 39 26.051 0.263 0.387 1.00 0.00 H new ATOM 0 HZ PHE A 39 27.077 2.498 0.250 1.00 0.00 H new HETATM 651 N NH2 A 40 21.566 4.332 4.143 1.00 0.00 N TER 654 NH2 A 40