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= -2.87! C(o=-2.9!,f=-7.4!) USER MOD Single : A 10 SER OG : rot -52:sc= 0.54 USER MOD Single : A 16 ASN : amide:sc= -0.348 K(o=-0.35,f=-3.1!) USER MOD Single : A 17 LYS NZ :NH3+ -112:sc= -0.479 (180deg=-0.684) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -0.345 K(o=-0.35,f=-1.1) USER MOD Single : A 28 ASN : amide:sc= -0.024 X(o=-0.024,f=-0.26) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -1.649 -20.148 15.076 1.00 0.00 N ATOM 2 CA PRO A 1 -1.994 -20.456 13.671 1.00 0.00 C ATOM 3 C PRO A 1 -0.745 -20.680 12.822 1.00 0.00 C ATOM 4 O PRO A 1 0.375 -20.426 13.268 1.00 0.00 O ATOM 5 CB PRO A 1 -2.799 -19.275 13.140 1.00 0.00 C ATOM 6 CG PRO A 1 -2.590 -18.195 14.154 1.00 0.00 C ATOM 7 CD PRO A 1 -2.293 -18.884 15.470 1.00 0.00 C ATOM 0 H2 PRO A 1 -0.637 -20.074 15.181 1.00 0.00 H new ATOM 0 H3 PRO A 1 -1.957 -20.904 15.687 1.00 0.00 H new ATOM 0 HA PRO A 1 -2.572 -21.379 13.621 1.00 0.00 H new ATOM 0 HB2 PRO A 1 -2.450 -18.967 12.154 1.00 0.00 H new ATOM 0 HB3 PRO A 1 -3.855 -19.527 13.040 1.00 0.00 H new ATOM 0 HG2 PRO A 1 -1.765 -17.545 13.863 1.00 0.00 H new ATOM 0 HG3 PRO A 1 -3.476 -17.566 14.238 1.00 0.00 H new ATOM 0 HD2 PRO A 1 -1.636 -18.280 16.097 1.00 0.00 H new ATOM 0 HD3 PRO A 1 -3.204 -19.062 16.041 1.00 0.00 H new ATOM 15 N ASP A 2 -0.946 -21.156 11.598 1.00 0.00 N ATOM 16 CA ASP A 2 0.165 -21.413 10.688 1.00 0.00 C ATOM 17 C ASP A 2 -0.139 -20.874 9.293 1.00 0.00 C ATOM 18 O ASP A 2 -0.475 -21.633 8.382 1.00 0.00 O ATOM 19 CB ASP A 2 0.455 -22.914 10.615 1.00 0.00 C ATOM 20 CG ASP A 2 -0.794 -23.732 10.353 1.00 0.00 C ATOM 21 OD1 ASP A 2 -1.786 -23.158 9.858 1.00 0.00 O ATOM 22 OD2 ASP A 2 -0.779 -24.947 10.644 1.00 0.00 O ATOM 0 H ASP A 2 -1.866 -21.371 11.213 1.00 0.00 H new ATOM 0 HA ASP A 2 1.045 -20.898 11.074 1.00 0.00 H new ATOM 0 HB2 ASP A 2 1.182 -23.103 9.825 1.00 0.00 H new ATOM 0 HB3 ASP A 2 0.909 -23.239 11.551 1.00 0.00 H new ATOM 27 N LYS A 3 -0.020 -19.560 9.133 1.00 0.00 N ATOM 28 CA LYS A 3 -0.281 -18.921 7.848 1.00 0.00 C ATOM 29 C LYS A 3 -0.005 -17.422 7.921 1.00 0.00 C ATOM 30 O LYS A 3 -0.557 -16.719 8.768 1.00 0.00 O ATOM 31 CB LYS A 3 -1.730 -19.162 7.420 1.00 0.00 C ATOM 32 CG LYS A 3 -2.750 -18.807 8.490 1.00 0.00 C ATOM 33 CD LYS A 3 -4.158 -18.752 7.920 1.00 0.00 C ATOM 34 CE LYS A 3 -5.180 -19.315 8.895 1.00 0.00 C ATOM 35 NZ LYS A 3 -5.833 -20.546 8.368 1.00 0.00 N ATOM 0 H LYS A 3 0.255 -18.918 9.876 1.00 0.00 H new ATOM 0 HA LYS A 3 0.388 -19.362 7.109 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -1.937 -18.576 6.524 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -1.850 -20.211 7.150 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -2.709 -19.544 9.292 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -2.497 -17.843 8.930 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -4.414 -17.720 7.680 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -4.196 -19.315 6.987 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -4.691 -19.541 9.843 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -5.940 -18.561 9.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -6.522 -20.898 9.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -6.321 -20.326 7.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -5.112 -21.275 8.196 1.00 0.00 H new ATOM 49 N ASP A 4 0.854 -16.940 7.028 1.00 0.00 N ATOM 50 CA ASP A 4 1.203 -15.525 6.991 1.00 0.00 C ATOM 51 C ASP A 4 1.712 -15.127 5.608 1.00 0.00 C ATOM 52 O ASP A 4 2.824 -14.617 5.465 1.00 0.00 O ATOM 53 CB ASP A 4 2.265 -15.213 8.050 1.00 0.00 C ATOM 54 CG ASP A 4 1.654 -14.809 9.378 1.00 0.00 C ATOM 55 OD1 ASP A 4 1.120 -13.685 9.469 1.00 0.00 O ATOM 56 OD2 ASP A 4 1.710 -15.619 10.327 1.00 0.00 O ATOM 0 H ASP A 4 1.321 -17.508 6.321 1.00 0.00 H new ATOM 0 HA ASP A 4 0.304 -14.947 7.207 1.00 0.00 H new ATOM 0 HB2 ASP A 4 2.898 -16.089 8.195 1.00 0.00 H new ATOM 0 HB3 ASP A 4 2.909 -14.411 7.690 1.00 0.00 H new ATOM 61 N PHE A 5 0.890 -15.363 4.591 1.00 0.00 N ATOM 62 CA PHE A 5 1.254 -15.030 3.220 1.00 0.00 C ATOM 63 C PHE A 5 0.013 -14.720 2.388 1.00 0.00 C ATOM 64 O PHE A 5 -0.507 -15.586 1.683 1.00 0.00 O ATOM 65 CB PHE A 5 2.036 -16.182 2.584 1.00 0.00 C ATOM 66 CG PHE A 5 3.513 -15.920 2.478 1.00 0.00 C ATOM 67 CD1 PHE A 5 4.016 -15.118 1.466 1.00 0.00 C ATOM 68 CD2 PHE A 5 4.394 -16.474 3.392 1.00 0.00 C ATOM 69 CE1 PHE A 5 5.373 -14.876 1.367 1.00 0.00 C ATOM 70 CE2 PHE A 5 5.752 -16.234 3.297 1.00 0.00 C ATOM 71 CZ PHE A 5 6.242 -15.434 2.283 1.00 0.00 C ATOM 0 H PHE A 5 -0.034 -15.784 4.691 1.00 0.00 H new ATOM 0 HA PHE A 5 1.885 -14.141 3.243 1.00 0.00 H new ATOM 0 HB2 PHE A 5 1.877 -17.086 3.172 1.00 0.00 H new ATOM 0 HB3 PHE A 5 1.637 -16.375 1.588 1.00 0.00 H new ATOM 0 HD1 PHE A 5 3.341 -14.678 0.747 1.00 0.00 H new ATOM 0 HD2 PHE A 5 4.016 -17.100 4.187 1.00 0.00 H new ATOM 0 HE1 PHE A 5 5.754 -14.250 0.573 1.00 0.00 H new ATOM 0 HE2 PHE A 5 6.430 -16.672 4.015 1.00 0.00 H new ATOM 0 HZ PHE A 5 7.303 -15.246 2.207 1.00 0.00 H new ATOM 81 N ILE A 6 -0.458 -13.480 2.474 1.00 0.00 N ATOM 82 CA ILE A 6 -1.638 -13.058 1.729 1.00 0.00 C ATOM 83 C ILE A 6 -1.245 -12.299 0.466 1.00 0.00 C ATOM 84 O ILE A 6 -1.890 -11.320 0.089 1.00 0.00 O ATOM 85 CB ILE A 6 -2.559 -12.169 2.587 1.00 0.00 C ATOM 86 CG1 ILE A 6 -2.751 -12.782 3.976 1.00 0.00 C ATOM 87 CG2 ILE A 6 -3.902 -11.976 1.898 1.00 0.00 C ATOM 88 CD1 ILE A 6 -3.362 -14.166 3.947 1.00 0.00 C ATOM 0 H ILE A 6 -0.041 -12.750 3.052 1.00 0.00 H new ATOM 0 HA ILE A 6 -2.179 -13.963 1.453 1.00 0.00 H new ATOM 0 HB ILE A 6 -2.088 -11.193 2.704 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -1.785 -12.830 4.479 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -3.387 -12.125 4.569 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -4.541 -11.346 2.517 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -3.749 -11.498 0.930 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -4.379 -12.945 1.753 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -3.469 -14.538 4.966 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -4.342 -14.121 3.473 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -2.716 -14.837 3.381 1.00 0.00 H new ATOM 100 N VAL A 7 -0.182 -12.759 -0.185 1.00 0.00 N ATOM 101 CA VAL A 7 0.300 -12.132 -1.402 1.00 0.00 C ATOM 102 C VAL A 7 -0.081 -12.953 -2.633 1.00 0.00 C ATOM 103 O VAL A 7 0.738 -13.172 -3.525 1.00 0.00 O ATOM 104 CB VAL A 7 1.830 -11.939 -1.367 1.00 0.00 C ATOM 105 CG1 VAL A 7 2.542 -13.282 -1.308 1.00 0.00 C ATOM 106 CG2 VAL A 7 2.293 -11.133 -2.570 1.00 0.00 C ATOM 0 H VAL A 7 0.362 -13.568 0.115 1.00 0.00 H new ATOM 0 HA VAL A 7 -0.176 -11.153 -1.466 1.00 0.00 H new ATOM 0 HB VAL A 7 2.085 -11.383 -0.465 1.00 0.00 H new ATOM 0 HG11 VAL A 7 3.620 -13.122 -1.284 1.00 0.00 H new ATOM 0 HG12 VAL A 7 2.235 -13.818 -0.410 1.00 0.00 H new ATOM 0 HG13 VAL A 7 2.282 -13.871 -2.188 1.00 0.00 H new ATOM 0 HG21 VAL A 7 3.375 -11.007 -2.529 1.00 0.00 H new ATOM 0 HG22 VAL A 7 2.024 -11.659 -3.486 1.00 0.00 H new ATOM 0 HG23 VAL A 7 1.813 -10.155 -2.559 1.00 0.00 H new ATOM 116 N ASN A 8 -1.330 -13.405 -2.671 1.00 0.00 N ATOM 117 CA ASN A 8 -1.821 -14.203 -3.789 1.00 0.00 C ATOM 118 C ASN A 8 -3.077 -13.583 -4.392 1.00 0.00 C ATOM 119 O ASN A 8 -3.610 -12.604 -3.868 1.00 0.00 O ATOM 120 CB ASN A 8 -2.116 -15.633 -3.328 1.00 0.00 C ATOM 121 CG ASN A 8 -1.212 -16.653 -3.991 1.00 0.00 C ATOM 122 OD1 ASN A 8 -0.623 -16.390 -5.039 1.00 0.00 O ATOM 123 ND2 ASN A 8 -1.097 -17.827 -3.380 1.00 0.00 N ATOM 0 H ASN A 8 -2.021 -13.232 -1.941 1.00 0.00 H new ATOM 0 HA ASN A 8 -1.046 -14.225 -4.555 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -1.997 -15.695 -2.246 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -3.156 -15.876 -3.548 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -0.502 -18.553 -3.779 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -1.604 -18.002 -2.512 1.00 0.00 H new ATOM 130 N PRO A 9 -3.573 -14.150 -5.505 1.00 0.00 N ATOM 131 CA PRO A 9 -4.770 -13.658 -6.179 1.00 0.00 C ATOM 132 C PRO A 9 -6.051 -14.216 -5.570 1.00 0.00 C ATOM 133 O PRO A 9 -6.951 -14.658 -6.285 1.00 0.00 O ATOM 134 CB PRO A 9 -4.584 -14.175 -7.602 1.00 0.00 C ATOM 135 CG PRO A 9 -3.849 -15.463 -7.439 1.00 0.00 C ATOM 136 CD PRO A 9 -2.999 -15.323 -6.197 1.00 0.00 C ATOM 0 HA PRO A 9 -4.876 -12.576 -6.105 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -5.543 -14.325 -8.098 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -4.018 -13.469 -8.210 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -4.545 -16.296 -7.340 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -3.229 -15.668 -8.312 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -3.049 -16.217 -5.576 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -1.950 -15.166 -6.446 1.00 0.00 H new ATOM 144 N SER A 10 -6.130 -14.190 -4.242 1.00 0.00 N ATOM 145 CA SER A 10 -7.296 -14.685 -3.535 1.00 0.00 C ATOM 146 C SER A 10 -7.947 -13.573 -2.727 1.00 0.00 C ATOM 147 O SER A 10 -8.497 -13.806 -1.651 1.00 0.00 O ATOM 148 CB SER A 10 -6.914 -15.850 -2.619 1.00 0.00 C ATOM 149 OG SER A 10 -8.066 -16.473 -2.077 1.00 0.00 O ATOM 0 H SER A 10 -5.394 -13.828 -3.636 1.00 0.00 H new ATOM 0 HA SER A 10 -8.014 -15.042 -4.273 1.00 0.00 H new ATOM 0 HB2 SER A 10 -6.331 -16.581 -3.179 1.00 0.00 H new ATOM 0 HB3 SER A 10 -6.279 -15.488 -1.811 1.00 0.00 H new ATOM 0 HG SER A 10 -8.637 -15.796 -1.658 1.00 0.00 H new ATOM 155 N ASP A 11 -7.877 -12.361 -3.260 1.00 0.00 N ATOM 156 CA ASP A 11 -8.458 -11.196 -2.602 1.00 0.00 C ATOM 157 C ASP A 11 -8.931 -10.175 -3.631 1.00 0.00 C ATOM 158 O ASP A 11 -8.809 -8.967 -3.428 1.00 0.00 O ATOM 159 CB ASP A 11 -7.440 -10.559 -1.654 1.00 0.00 C ATOM 160 CG ASP A 11 -7.635 -11.001 -0.216 1.00 0.00 C ATOM 161 OD1 ASP A 11 -7.586 -12.222 0.042 1.00 0.00 O ATOM 162 OD2 ASP A 11 -7.837 -10.126 0.652 1.00 0.00 O ATOM 0 H ASP A 11 -7.422 -12.157 -4.150 1.00 0.00 H new ATOM 0 HA ASP A 11 -9.321 -11.525 -2.022 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -6.433 -10.820 -1.978 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -7.523 -9.474 -1.712 1.00 0.00 H new ATOM 167 N LEU A 12 -9.475 -10.673 -4.736 1.00 0.00 N ATOM 168 CA LEU A 12 -9.971 -9.810 -5.801 1.00 0.00 C ATOM 169 C LEU A 12 -11.197 -9.032 -5.338 1.00 0.00 C ATOM 170 O LEU A 12 -12.332 -9.395 -5.648 1.00 0.00 O ATOM 171 CB LEU A 12 -10.315 -10.641 -7.040 1.00 0.00 C ATOM 172 CG LEU A 12 -10.666 -9.827 -8.289 1.00 0.00 C ATOM 173 CD1 LEU A 12 -9.830 -10.280 -9.477 1.00 0.00 C ATOM 174 CD2 LEU A 12 -12.150 -9.948 -8.606 1.00 0.00 C ATOM 0 H LEU A 12 -9.584 -11.671 -4.917 1.00 0.00 H new ATOM 0 HA LEU A 12 -9.186 -9.099 -6.058 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -9.468 -11.287 -7.272 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -11.156 -11.291 -6.800 1.00 0.00 H new ATOM 0 HG LEU A 12 -10.440 -8.780 -8.089 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -10.094 -9.690 -10.354 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -8.773 -10.142 -9.252 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -10.023 -11.334 -9.677 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -12.381 -9.363 -9.496 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -12.400 -10.994 -8.784 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -12.733 -9.574 -7.765 1.00 0.00 H new ATOM 186 N VAL A 13 -10.959 -7.964 -4.584 1.00 0.00 N ATOM 187 CA VAL A 13 -12.038 -7.136 -4.068 1.00 0.00 C ATOM 188 C VAL A 13 -11.552 -5.713 -3.809 1.00 0.00 C ATOM 189 O VAL A 13 -11.146 -5.374 -2.698 1.00 0.00 O ATOM 190 CB VAL A 13 -12.611 -7.727 -2.767 1.00 0.00 C ATOM 191 CG1 VAL A 13 -11.510 -7.904 -1.734 1.00 0.00 C ATOM 192 CG2 VAL A 13 -13.734 -6.856 -2.221 1.00 0.00 C ATOM 0 H VAL A 13 -10.025 -7.653 -4.317 1.00 0.00 H new ATOM 0 HA VAL A 13 -12.824 -7.113 -4.822 1.00 0.00 H new ATOM 0 HB VAL A 13 -13.030 -8.708 -2.993 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -11.932 -8.323 -0.820 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -10.749 -8.580 -2.125 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -11.058 -6.937 -1.515 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -14.121 -7.296 -1.302 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -13.351 -5.857 -2.012 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -14.535 -6.791 -2.958 1.00 0.00 H new ATOM 202 N LEU A 14 -11.597 -4.883 -4.845 1.00 0.00 N ATOM 203 CA LEU A 14 -11.165 -3.498 -4.743 1.00 0.00 C ATOM 204 C LEU A 14 -12.262 -2.624 -4.138 1.00 0.00 C ATOM 205 O LEU A 14 -12.638 -1.598 -4.704 1.00 0.00 O ATOM 206 CB LEU A 14 -10.771 -2.962 -6.121 1.00 0.00 C ATOM 207 CG LEU A 14 -9.351 -3.311 -6.571 1.00 0.00 C ATOM 208 CD1 LEU A 14 -9.275 -4.761 -7.022 1.00 0.00 C ATOM 209 CD2 LEU A 14 -8.904 -2.379 -7.687 1.00 0.00 C ATOM 0 H LEU A 14 -11.931 -5.150 -5.771 1.00 0.00 H new ATOM 0 HA LEU A 14 -10.297 -3.464 -4.085 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -11.475 -3.348 -6.859 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -10.878 -1.877 -6.116 1.00 0.00 H new ATOM 0 HG LEU A 14 -8.678 -3.181 -5.723 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -8.258 -4.991 -7.338 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -9.554 -5.414 -6.195 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -9.959 -4.919 -7.856 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -7.892 -2.640 -7.996 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -9.580 -2.478 -8.537 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -8.920 -1.349 -7.329 1.00 0.00 H new ATOM 221 N ASP A 15 -12.772 -3.040 -2.984 1.00 0.00 N ATOM 222 CA ASP A 15 -13.825 -2.298 -2.299 1.00 0.00 C ATOM 223 C ASP A 15 -13.403 -0.855 -2.045 1.00 0.00 C ATOM 224 O ASP A 15 -14.140 0.081 -2.354 1.00 0.00 O ATOM 225 CB ASP A 15 -14.177 -2.979 -0.974 1.00 0.00 C ATOM 226 CG ASP A 15 -12.946 -3.321 -0.156 1.00 0.00 C ATOM 227 OD1 ASP A 15 -12.111 -4.112 -0.644 1.00 0.00 O ATOM 228 OD2 ASP A 15 -12.819 -2.798 0.970 1.00 0.00 O ATOM 0 H ASP A 15 -12.473 -3.888 -2.503 1.00 0.00 H new ATOM 0 HA ASP A 15 -14.704 -2.290 -2.943 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -14.826 -2.324 -0.393 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -14.741 -3.890 -1.175 1.00 0.00 H new ATOM 233 N ASN A 16 -12.211 -0.681 -1.482 1.00 0.00 N ATOM 234 CA ASN A 16 -11.693 0.650 -1.189 1.00 0.00 C ATOM 235 C ASN A 16 -10.168 0.667 -1.230 1.00 0.00 C ATOM 236 O ASN A 16 -9.521 1.343 -0.430 1.00 0.00 O ATOM 237 CB ASN A 16 -12.187 1.124 0.180 1.00 0.00 C ATOM 238 CG ASN A 16 -12.794 2.513 0.129 1.00 0.00 C ATOM 239 OD1 ASN A 16 -13.046 3.054 -0.947 1.00 0.00 O ATOM 240 ND2 ASN A 16 -13.032 3.097 1.297 1.00 0.00 N ATOM 0 H ASN A 16 -11.587 -1.444 -1.220 1.00 0.00 H new ATOM 0 HA ASN A 16 -12.063 1.331 -1.956 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -12.929 0.421 0.559 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -11.355 1.120 0.884 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -13.440 4.032 1.326 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -12.807 2.611 2.165 1.00 0.00 H new ATOM 247 N LYS A 17 -9.601 -0.079 -2.172 1.00 0.00 N ATOM 248 CA LYS A 17 -8.150 -0.148 -2.328 1.00 0.00 C ATOM 249 C LYS A 17 -7.471 -0.550 -1.020 1.00 0.00 C ATOM 250 O LYS A 17 -6.565 0.136 -0.543 1.00 0.00 O ATOM 251 CB LYS A 17 -7.609 1.199 -2.807 1.00 0.00 C ATOM 252 CG LYS A 17 -6.238 1.108 -3.458 1.00 0.00 C ATOM 253 CD LYS A 17 -6.309 1.372 -4.953 1.00 0.00 C ATOM 254 CE LYS A 17 -5.146 2.234 -5.423 1.00 0.00 C ATOM 255 NZ LYS A 17 -3.836 1.690 -4.972 1.00 0.00 N ATOM 0 H LYS A 17 -10.123 -0.645 -2.840 1.00 0.00 H new ATOM 0 HA LYS A 17 -7.927 -0.911 -3.073 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -8.312 1.631 -3.519 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -7.555 1.882 -1.959 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -5.565 1.828 -2.992 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -5.816 0.118 -3.282 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -6.302 0.424 -5.492 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -7.250 1.867 -5.192 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -5.158 2.298 -6.511 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -5.269 3.248 -5.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -3.415 2.334 -4.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -3.979 0.755 -4.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -3.198 1.601 -5.788 1.00 0.00 H new ATOM 269 N ALA A 18 -7.911 -1.664 -0.443 1.00 0.00 N ATOM 270 CA ALA A 18 -7.344 -2.153 0.801 1.00 0.00 C ATOM 271 C ALA A 18 -6.298 -3.232 0.549 1.00 0.00 C ATOM 272 O ALA A 18 -6.151 -4.167 1.336 1.00 0.00 O ATOM 273 CB ALA A 18 -8.443 -2.678 1.714 1.00 0.00 C ATOM 0 H ALA A 18 -8.660 -2.244 -0.821 1.00 0.00 H new ATOM 0 HA ALA A 18 -6.847 -1.317 1.294 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -8.002 -3.041 2.642 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -9.146 -1.875 1.936 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -8.969 -3.494 1.218 1.00 0.00 H new ATOM 279 N ALA A 19 -5.572 -3.090 -0.553 1.00 0.00 N ATOM 280 CA ALA A 19 -4.532 -4.043 -0.915 1.00 0.00 C ATOM 281 C ALA A 19 -3.762 -3.555 -2.130 1.00 0.00 C ATOM 282 O ALA A 19 -2.532 -3.525 -2.125 1.00 0.00 O ATOM 283 CB ALA A 19 -5.132 -5.417 -1.173 1.00 0.00 C ATOM 0 H ALA A 19 -5.686 -2.321 -1.213 1.00 0.00 H new ATOM 0 HA ALA A 19 -3.836 -4.127 -0.081 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -4.340 -6.115 -1.442 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -5.636 -5.769 -0.273 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -5.851 -5.352 -1.989 1.00 0.00 H new ATOM 289 N LEU A 20 -4.489 -3.149 -3.167 1.00 0.00 N ATOM 290 CA LEU A 20 -3.858 -2.636 -4.375 1.00 0.00 C ATOM 291 C LEU A 20 -2.856 -1.546 -4.009 1.00 0.00 C ATOM 292 O LEU A 20 -1.861 -1.339 -4.701 1.00 0.00 O ATOM 293 CB LEU A 20 -4.910 -2.089 -5.341 1.00 0.00 C ATOM 294 CG LEU A 20 -4.698 -2.465 -6.810 1.00 0.00 C ATOM 295 CD1 LEU A 20 -5.749 -3.467 -7.266 1.00 0.00 C ATOM 296 CD2 LEU A 20 -4.725 -1.224 -7.691 1.00 0.00 C ATOM 0 H LEU A 20 -5.509 -3.166 -3.194 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.332 -3.452 -4.871 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -5.890 -2.448 -5.028 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.927 -1.002 -5.259 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.717 -2.931 -6.904 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -5.580 -3.721 -8.313 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -5.680 -4.369 -6.658 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -6.741 -3.030 -7.154 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -4.573 -1.513 -8.731 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -5.690 -0.727 -7.590 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -3.932 -0.542 -7.384 1.00 0.00 H new ATOM 308 N ARG A 21 -3.127 -0.865 -2.897 1.00 0.00 N ATOM 309 CA ARG A 21 -2.258 0.185 -2.411 1.00 0.00 C ATOM 310 C ARG A 21 -1.125 -0.410 -1.593 1.00 0.00 C ATOM 311 O ARG A 21 0.007 0.070 -1.635 1.00 0.00 O ATOM 312 CB ARG A 21 -3.046 1.191 -1.570 1.00 0.00 C ATOM 313 CG ARG A 21 -2.511 2.610 -1.653 1.00 0.00 C ATOM 314 CD ARG A 21 -3.498 3.615 -1.081 1.00 0.00 C ATOM 315 NE ARG A 21 -2.852 4.565 -0.179 1.00 0.00 N ATOM 316 CZ ARG A 21 -3.504 5.286 0.731 1.00 0.00 C ATOM 317 NH1 ARG A 21 -4.819 5.169 0.865 1.00 0.00 N ATOM 318 NH2 ARG A 21 -2.838 6.129 1.510 1.00 0.00 N ATOM 0 H ARG A 21 -3.950 -1.030 -2.317 1.00 0.00 H new ATOM 0 HA ARG A 21 -1.837 0.709 -3.269 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -4.087 1.185 -1.894 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -3.034 0.868 -0.529 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -1.568 2.676 -1.110 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -2.299 2.859 -2.693 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -3.976 4.157 -1.896 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -4.286 3.085 -0.545 1.00 0.00 H new ATOM 0 HE ARG A 21 -1.841 4.683 -0.250 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -5.337 4.524 0.269 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -5.312 5.724 1.564 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -1.827 6.224 1.411 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -3.337 6.682 2.207 1.00 0.00 H new ATOM 332 N ASP A 22 -1.438 -1.470 -0.858 1.00 0.00 N ATOM 333 CA ASP A 22 -0.439 -2.141 -0.042 1.00 0.00 C ATOM 334 C ASP A 22 0.593 -2.814 -0.929 1.00 0.00 C ATOM 335 O ASP A 22 1.766 -2.917 -0.568 1.00 0.00 O ATOM 336 CB ASP A 22 -1.096 -3.165 0.887 1.00 0.00 C ATOM 337 CG ASP A 22 -0.546 -3.100 2.299 1.00 0.00 C ATOM 338 OD1 ASP A 22 0.683 -2.952 2.450 1.00 0.00 O ATOM 339 OD2 ASP A 22 -1.348 -3.197 3.253 1.00 0.00 O ATOM 0 H ASP A 22 -2.371 -1.880 -0.811 1.00 0.00 H new ATOM 0 HA ASP A 22 0.061 -1.395 0.575 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -2.172 -2.992 0.911 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -0.943 -4.167 0.486 1.00 0.00 H new ATOM 344 N TYR A 23 0.155 -3.244 -2.103 1.00 0.00 N ATOM 345 CA TYR A 23 1.051 -3.876 -3.057 1.00 0.00 C ATOM 346 C TYR A 23 2.156 -2.901 -3.431 1.00 0.00 C ATOM 347 O TYR A 23 3.286 -3.294 -3.715 1.00 0.00 O ATOM 348 CB TYR A 23 0.287 -4.323 -4.304 1.00 0.00 C ATOM 349 CG TYR A 23 1.151 -5.021 -5.331 1.00 0.00 C ATOM 350 CD1 TYR A 23 2.110 -5.949 -4.946 1.00 0.00 C ATOM 351 CD2 TYR A 23 1.004 -4.753 -6.686 1.00 0.00 C ATOM 352 CE1 TYR A 23 2.899 -6.590 -5.883 1.00 0.00 C ATOM 353 CE2 TYR A 23 1.787 -5.391 -7.630 1.00 0.00 C ATOM 354 CZ TYR A 23 2.735 -6.308 -7.222 1.00 0.00 C ATOM 355 OH TYR A 23 3.517 -6.945 -8.158 1.00 0.00 O ATOM 0 H TYR A 23 -0.813 -3.167 -2.416 1.00 0.00 H new ATOM 0 HA TYR A 23 1.491 -4.762 -2.599 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -0.519 -4.993 -4.004 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -0.178 -3.452 -4.766 1.00 0.00 H new ATOM 0 HD1 TYR A 23 2.241 -6.173 -3.898 1.00 0.00 H new ATOM 0 HD2 TYR A 23 0.265 -4.034 -7.008 1.00 0.00 H new ATOM 0 HE1 TYR A 23 3.641 -7.309 -5.567 1.00 0.00 H new ATOM 0 HE2 TYR A 23 1.658 -5.173 -8.680 1.00 0.00 H new ATOM 0 HH TYR A 23 3.273 -6.633 -9.055 1.00 0.00 H new ATOM 365 N LEU A 24 1.814 -1.618 -3.400 1.00 0.00 N ATOM 366 CA LEU A 24 2.766 -0.566 -3.704 1.00 0.00 C ATOM 367 C LEU A 24 3.705 -0.358 -2.524 1.00 0.00 C ATOM 368 O LEU A 24 4.863 0.020 -2.695 1.00 0.00 O ATOM 369 CB LEU A 24 2.038 0.737 -4.040 1.00 0.00 C ATOM 370 CG LEU A 24 1.823 0.993 -5.534 1.00 0.00 C ATOM 371 CD1 LEU A 24 3.152 1.257 -6.226 1.00 0.00 C ATOM 372 CD2 LEU A 24 1.109 -0.186 -6.178 1.00 0.00 C ATOM 0 H LEU A 24 0.879 -1.284 -3.166 1.00 0.00 H new ATOM 0 HA LEU A 24 3.351 -0.865 -4.573 1.00 0.00 H new ATOM 0 HB2 LEU A 24 1.067 0.731 -3.545 1.00 0.00 H new ATOM 0 HB3 LEU A 24 2.604 1.570 -3.622 1.00 0.00 H new ATOM 0 HG LEU A 24 1.196 1.878 -5.646 1.00 0.00 H new ATOM 0 HD11 LEU A 24 2.980 1.437 -7.287 1.00 0.00 H new ATOM 0 HD12 LEU A 24 3.626 2.132 -5.782 1.00 0.00 H new ATOM 0 HD13 LEU A 24 3.803 0.391 -6.106 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.964 0.012 -7.240 1.00 0.00 H new ATOM 0 HD22 LEU A 24 1.711 -1.087 -6.056 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.140 -0.330 -5.700 1.00 0.00 H new ATOM 384 N ARG A 25 3.194 -0.617 -1.324 1.00 0.00 N ATOM 385 CA ARG A 25 3.983 -0.470 -0.112 1.00 0.00 C ATOM 386 C ARG A 25 5.001 -1.600 0.016 1.00 0.00 C ATOM 387 O ARG A 25 6.001 -1.473 0.724 1.00 0.00 O ATOM 388 CB ARG A 25 3.072 -0.438 1.118 1.00 0.00 C ATOM 389 CG ARG A 25 3.345 0.734 2.048 1.00 0.00 C ATOM 390 CD ARG A 25 3.082 2.065 1.361 1.00 0.00 C ATOM 391 NE ARG A 25 1.692 2.490 1.509 1.00 0.00 N ATOM 392 CZ ARG A 25 1.253 3.708 1.199 1.00 0.00 C ATOM 393 NH1 ARG A 25 2.090 4.622 0.724 1.00 0.00 N ATOM 394 NH2 ARG A 25 -0.027 4.012 1.362 1.00 0.00 N ATOM 0 H ARG A 25 2.236 -0.930 -1.168 1.00 0.00 H new ATOM 0 HA ARG A 25 4.525 0.474 -0.174 1.00 0.00 H new ATOM 0 HB2 ARG A 25 2.034 -0.396 0.790 1.00 0.00 H new ATOM 0 HB3 ARG A 25 3.193 -1.368 1.674 1.00 0.00 H new ATOM 0 HG2 ARG A 25 2.716 0.650 2.934 1.00 0.00 H new ATOM 0 HG3 ARG A 25 4.380 0.697 2.387 1.00 0.00 H new ATOM 0 HD2 ARG A 25 3.741 2.826 1.780 1.00 0.00 H new ATOM 0 HD3 ARG A 25 3.325 1.981 0.302 1.00 0.00 H new ATOM 0 HE ARG A 25 1.019 1.814 1.871 1.00 0.00 H new ATOM 0 HH11 ARG A 25 3.075 4.393 0.595 1.00 0.00 H new ATOM 0 HH12 ARG A 25 1.748 5.553 0.488 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -0.675 3.313 1.725 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -0.364 4.945 1.125 1.00 0.00 H new ATOM 408 N GLN A 26 4.741 -2.708 -0.676 1.00 0.00 N ATOM 409 CA GLN A 26 5.629 -3.857 -0.643 1.00 0.00 C ATOM 410 C GLN A 26 6.354 -4.031 -1.975 1.00 0.00 C ATOM 411 O GLN A 26 7.378 -4.709 -2.049 1.00 0.00 O ATOM 412 CB GLN A 26 4.847 -5.127 -0.299 1.00 0.00 C ATOM 413 CG GLN A 26 5.526 -5.994 0.750 1.00 0.00 C ATOM 414 CD GLN A 26 5.614 -7.450 0.335 1.00 0.00 C ATOM 415 OE1 GLN A 26 6.210 -7.782 -0.690 1.00 0.00 O ATOM 416 NE2 GLN A 26 5.022 -8.329 1.135 1.00 0.00 N ATOM 0 H GLN A 26 3.918 -2.829 -1.267 1.00 0.00 H new ATOM 0 HA GLN A 26 6.376 -3.681 0.131 1.00 0.00 H new ATOM 0 HB2 GLN A 26 3.856 -4.848 0.058 1.00 0.00 H new ATOM 0 HB3 GLN A 26 4.705 -5.713 -1.207 1.00 0.00 H new ATOM 0 HG2 GLN A 26 6.530 -5.612 0.937 1.00 0.00 H new ATOM 0 HG3 GLN A 26 4.976 -5.920 1.688 1.00 0.00 H new ATOM 0 HE21 GLN A 26 4.539 -8.010 1.975 1.00 0.00 H new ATOM 0 HE22 GLN A 26 5.050 -9.323 0.910 1.00 0.00 H new ATOM 425 N ILE A 27 5.819 -3.415 -3.027 1.00 0.00 N ATOM 426 CA ILE A 27 6.423 -3.500 -4.352 1.00 0.00 C ATOM 427 C ILE A 27 7.920 -3.206 -4.285 1.00 0.00 C ATOM 428 O ILE A 27 8.727 -3.899 -4.904 1.00 0.00 O ATOM 429 CB ILE A 27 5.726 -2.532 -5.345 1.00 0.00 C ATOM 430 CG1 ILE A 27 4.877 -3.319 -6.346 1.00 0.00 C ATOM 431 CG2 ILE A 27 6.735 -1.654 -6.079 1.00 0.00 C ATOM 432 CD1 ILE A 27 5.680 -4.290 -7.186 1.00 0.00 C ATOM 0 H ILE A 27 4.969 -2.852 -2.986 1.00 0.00 H new ATOM 0 HA ILE A 27 6.287 -4.518 -4.716 1.00 0.00 H new ATOM 0 HB ILE A 27 5.077 -1.875 -4.766 1.00 0.00 H new ATOM 0 HG12 ILE A 27 4.108 -3.869 -5.804 1.00 0.00 H new ATOM 0 HG13 ILE A 27 4.364 -2.619 -7.005 1.00 0.00 H new ATOM 0 HG21 ILE A 27 6.209 -0.990 -6.765 1.00 0.00 H new ATOM 0 HG22 ILE A 27 7.294 -1.060 -5.356 1.00 0.00 H new ATOM 0 HG23 ILE A 27 7.424 -2.284 -6.641 1.00 0.00 H new ATOM 0 HD11 ILE A 27 5.015 -4.813 -7.873 1.00 0.00 H new ATOM 0 HD12 ILE A 27 6.432 -3.743 -7.755 1.00 0.00 H new ATOM 0 HD13 ILE A 27 6.172 -5.013 -6.536 1.00 0.00 H new ATOM 444 N ASN A 28 8.281 -2.180 -3.524 1.00 0.00 N ATOM 445 CA ASN A 28 9.675 -1.801 -3.370 1.00 0.00 C ATOM 446 C ASN A 28 10.372 -2.705 -2.364 1.00 0.00 C ATOM 447 O ASN A 28 11.588 -2.890 -2.423 1.00 0.00 O ATOM 448 CB ASN A 28 9.792 -0.338 -2.940 1.00 0.00 C ATOM 449 CG ASN A 28 10.890 0.398 -3.686 1.00 0.00 C ATOM 450 OD1 ASN A 28 11.919 -0.184 -4.027 1.00 0.00 O ATOM 451 ND2 ASN A 28 10.673 1.682 -3.942 1.00 0.00 N ATOM 0 H ASN A 28 7.625 -1.597 -3.005 1.00 0.00 H new ATOM 0 HA ASN A 28 10.166 -1.918 -4.336 1.00 0.00 H new ATOM 0 HB2 ASN A 28 8.840 0.165 -3.110 1.00 0.00 H new ATOM 0 HB3 ASN A 28 9.990 -0.292 -1.869 1.00 0.00 H new ATOM 0 HD21 ASN A 28 11.375 2.228 -4.441 1.00 0.00 H new ATOM 0 HD22 ASN A 28 9.804 2.123 -3.640 1.00 0.00 H new ATOM 458 N GLU A 29 9.599 -3.282 -1.446 1.00 0.00 N ATOM 459 CA GLU A 29 10.158 -4.178 -0.450 1.00 0.00 C ATOM 460 C GLU A 29 10.126 -5.616 -0.947 1.00 0.00 C ATOM 461 O GLU A 29 10.077 -6.565 -0.164 1.00 0.00 O ATOM 462 CB GLU A 29 9.408 -4.052 0.878 1.00 0.00 C ATOM 463 CG GLU A 29 10.320 -4.046 2.093 1.00 0.00 C ATOM 464 CD GLU A 29 9.552 -4.105 3.400 1.00 0.00 C ATOM 465 OE1 GLU A 29 8.476 -4.737 3.428 1.00 0.00 O ATOM 466 OE2 GLU A 29 10.027 -3.517 4.394 1.00 0.00 O ATOM 0 H GLU A 29 8.591 -3.143 -1.375 1.00 0.00 H new ATOM 0 HA GLU A 29 11.197 -3.894 -0.282 1.00 0.00 H new ATOM 0 HB2 GLU A 29 8.822 -3.133 0.869 1.00 0.00 H new ATOM 0 HB3 GLU A 29 8.703 -4.878 0.967 1.00 0.00 H new ATOM 0 HG2 GLU A 29 11.000 -4.896 2.037 1.00 0.00 H new ATOM 0 HG3 GLU A 29 10.934 -3.146 2.077 1.00 0.00 H new ATOM 473 N TYR A 30 10.178 -5.755 -2.262 1.00 0.00 N ATOM 474 CA TYR A 30 10.181 -7.048 -2.913 1.00 0.00 C ATOM 475 C TYR A 30 11.390 -7.156 -3.825 1.00 0.00 C ATOM 476 O TYR A 30 11.992 -8.222 -3.962 1.00 0.00 O ATOM 477 CB TYR A 30 8.891 -7.256 -3.710 1.00 0.00 C ATOM 478 CG TYR A 30 8.395 -8.685 -3.696 1.00 0.00 C ATOM 479 CD1 TYR A 30 9.213 -9.728 -4.111 1.00 0.00 C ATOM 480 CD2 TYR A 30 7.109 -8.990 -3.268 1.00 0.00 C ATOM 481 CE1 TYR A 30 8.763 -11.035 -4.100 1.00 0.00 C ATOM 482 CE2 TYR A 30 6.652 -10.294 -3.255 1.00 0.00 C ATOM 483 CZ TYR A 30 7.483 -11.312 -3.671 1.00 0.00 C ATOM 484 OH TYR A 30 7.032 -12.612 -3.658 1.00 0.00 O ATOM 0 H TYR A 30 10.219 -4.967 -2.908 1.00 0.00 H new ATOM 0 HA TYR A 30 10.236 -7.826 -2.151 1.00 0.00 H new ATOM 0 HB2 TYR A 30 8.115 -6.607 -3.305 1.00 0.00 H new ATOM 0 HB3 TYR A 30 9.058 -6.948 -4.742 1.00 0.00 H new ATOM 0 HD1 TYR A 30 10.217 -9.514 -4.448 1.00 0.00 H new ATOM 0 HD2 TYR A 30 6.456 -8.195 -2.940 1.00 0.00 H new ATOM 0 HE1 TYR A 30 9.411 -11.835 -4.426 1.00 0.00 H new ATOM 0 HE2 TYR A 30 5.649 -10.514 -2.921 1.00 0.00 H new ATOM 0 HH TYR A 30 6.110 -12.635 -3.327 1.00 0.00 H new ATOM 494 N PHE A 31 11.747 -6.033 -4.435 1.00 0.00 N ATOM 495 CA PHE A 31 12.892 -5.974 -5.324 1.00 0.00 C ATOM 496 C PHE A 31 14.157 -5.593 -4.556 1.00 0.00 C ATOM 497 O PHE A 31 15.271 -5.815 -5.029 1.00 0.00 O ATOM 498 CB PHE A 31 12.639 -4.973 -6.454 1.00 0.00 C ATOM 499 CG PHE A 31 12.395 -5.623 -7.787 1.00 0.00 C ATOM 500 CD1 PHE A 31 13.196 -6.667 -8.220 1.00 0.00 C ATOM 501 CD2 PHE A 31 11.365 -5.190 -8.605 1.00 0.00 C ATOM 502 CE1 PHE A 31 12.974 -7.267 -9.445 1.00 0.00 C ATOM 503 CE2 PHE A 31 11.137 -5.786 -9.832 1.00 0.00 C ATOM 504 CZ PHE A 31 11.941 -6.825 -10.252 1.00 0.00 C ATOM 0 H PHE A 31 11.254 -5.147 -4.327 1.00 0.00 H new ATOM 0 HA PHE A 31 13.037 -6.964 -5.757 1.00 0.00 H new ATOM 0 HB2 PHE A 31 11.778 -4.356 -6.196 1.00 0.00 H new ATOM 0 HB3 PHE A 31 13.496 -4.305 -6.536 1.00 0.00 H new ATOM 0 HD1 PHE A 31 14.003 -7.016 -7.593 1.00 0.00 H new ATOM 0 HD2 PHE A 31 10.732 -4.377 -8.281 1.00 0.00 H new ATOM 0 HE1 PHE A 31 13.606 -8.080 -9.772 1.00 0.00 H new ATOM 0 HE2 PHE A 31 10.330 -5.438 -10.460 1.00 0.00 H new ATOM 0 HZ PHE A 31 11.764 -7.293 -11.209 1.00 0.00 H new ATOM 514 N ALA A 32 13.979 -5.015 -3.368 1.00 0.00 N ATOM 515 CA ALA A 32 15.106 -4.605 -2.544 1.00 0.00 C ATOM 516 C ALA A 32 15.815 -5.813 -1.940 1.00 0.00 C ATOM 517 O ALA A 32 17.045 -5.878 -1.920 1.00 0.00 O ATOM 518 CB ALA A 32 14.640 -3.662 -1.445 1.00 0.00 C ATOM 0 H ALA A 32 13.065 -4.822 -2.959 1.00 0.00 H new ATOM 0 HA ALA A 32 15.818 -4.081 -3.182 1.00 0.00 H new ATOM 0 HB1 ALA A 32 15.493 -3.363 -0.836 1.00 0.00 H new ATOM 0 HB2 ALA A 32 14.186 -2.778 -1.893 1.00 0.00 H new ATOM 0 HB3 ALA A 32 13.906 -4.168 -0.818 1.00 0.00 H new ATOM 524 N ILE A 33 15.034 -6.766 -1.444 1.00 0.00 N ATOM 525 CA ILE A 33 15.584 -7.970 -0.835 1.00 0.00 C ATOM 526 C ILE A 33 16.278 -8.849 -1.869 1.00 0.00 C ATOM 527 O ILE A 33 17.404 -9.298 -1.660 1.00 0.00 O ATOM 528 CB ILE A 33 14.488 -8.793 -0.131 1.00 0.00 C ATOM 529 CG1 ILE A 33 13.656 -7.897 0.790 1.00 0.00 C ATOM 530 CG2 ILE A 33 15.108 -9.938 0.657 1.00 0.00 C ATOM 531 CD1 ILE A 33 14.479 -7.165 1.828 1.00 0.00 C ATOM 0 H ILE A 33 14.015 -6.727 -1.452 1.00 0.00 H new ATOM 0 HA ILE A 33 16.315 -7.642 -0.097 1.00 0.00 H new ATOM 0 HB ILE A 33 13.829 -9.214 -0.890 1.00 0.00 H new ATOM 0 HG12 ILE A 33 13.118 -7.168 0.184 1.00 0.00 H new ATOM 0 HG13 ILE A 33 12.907 -8.506 1.296 1.00 0.00 H new ATOM 0 HG21 ILE A 33 14.321 -10.510 1.148 1.00 0.00 H new ATOM 0 HG22 ILE A 33 15.660 -10.589 -0.021 1.00 0.00 H new ATOM 0 HG23 ILE A 33 15.788 -9.536 1.409 1.00 0.00 H new ATOM 0 HD11 ILE A 33 13.824 -6.550 2.444 1.00 0.00 H new ATOM 0 HD12 ILE A 33 14.996 -7.888 2.458 1.00 0.00 H new ATOM 0 HD13 ILE A 33 15.211 -6.529 1.330 1.00 0.00 H new ATOM 543 N ILE A 34 15.600 -9.092 -2.985 1.00 0.00 N ATOM 544 CA ILE A 34 16.151 -9.921 -4.050 1.00 0.00 C ATOM 545 C ILE A 34 17.477 -9.363 -4.563 1.00 0.00 C ATOM 546 O ILE A 34 18.273 -10.085 -5.164 1.00 0.00 O ATOM 547 CB ILE A 34 15.165 -10.050 -5.229 1.00 0.00 C ATOM 548 CG1 ILE A 34 15.712 -11.015 -6.284 1.00 0.00 C ATOM 549 CG2 ILE A 34 14.887 -8.686 -5.844 1.00 0.00 C ATOM 550 CD1 ILE A 34 14.634 -11.720 -7.076 1.00 0.00 C ATOM 0 H ILE A 34 14.667 -8.726 -3.176 1.00 0.00 H new ATOM 0 HA ILE A 34 16.324 -10.908 -3.621 1.00 0.00 H new ATOM 0 HB ILE A 34 14.226 -10.453 -4.850 1.00 0.00 H new ATOM 0 HG12 ILE A 34 16.354 -10.463 -6.971 1.00 0.00 H new ATOM 0 HG13 ILE A 34 16.337 -11.761 -5.793 1.00 0.00 H new ATOM 0 HG21 ILE A 34 14.189 -8.797 -6.674 1.00 0.00 H new ATOM 0 HG22 ILE A 34 14.453 -8.029 -5.090 1.00 0.00 H new ATOM 0 HG23 ILE A 34 15.819 -8.254 -6.208 1.00 0.00 H new ATOM 0 HD11 ILE A 34 15.095 -12.387 -7.804 1.00 0.00 H new ATOM 0 HD12 ILE A 34 14.006 -12.300 -6.400 1.00 0.00 H new ATOM 0 HD13 ILE A 34 14.023 -10.982 -7.596 1.00 0.00 H new ATOM 562 N GLY A 35 17.707 -8.078 -4.321 1.00 0.00 N ATOM 563 CA GLY A 35 18.938 -7.449 -4.765 1.00 0.00 C ATOM 564 C GLY A 35 18.854 -6.963 -6.199 1.00 0.00 C ATOM 565 O GLY A 35 19.739 -7.243 -7.007 1.00 0.00 O ATOM 0 H GLY A 35 17.064 -7.460 -3.826 1.00 0.00 H new ATOM 0 HA2 GLY A 35 19.169 -6.607 -4.112 1.00 0.00 H new ATOM 0 HA3 GLY A 35 19.760 -8.159 -4.672 1.00 0.00 H new ATOM 569 N ARG A 36 17.786 -6.235 -6.512 1.00 0.00 N ATOM 570 CA ARG A 36 17.588 -5.707 -7.857 1.00 0.00 C ATOM 571 C ARG A 36 17.470 -6.838 -8.876 1.00 0.00 C ATOM 572 O ARG A 36 18.057 -7.907 -8.702 1.00 0.00 O ATOM 573 CB ARG A 36 18.739 -4.774 -8.240 1.00 0.00 C ATOM 574 CG ARG A 36 18.672 -3.417 -7.560 1.00 0.00 C ATOM 575 CD ARG A 36 19.268 -3.464 -6.162 1.00 0.00 C ATOM 576 NE ARG A 36 18.474 -2.696 -5.205 1.00 0.00 N ATOM 577 CZ ARG A 36 18.764 -2.603 -3.909 1.00 0.00 C ATOM 578 NH1 ARG A 36 19.825 -3.227 -3.411 1.00 0.00 N ATOM 579 NH2 ARG A 36 17.989 -1.885 -3.107 1.00 0.00 N ATOM 0 H ARG A 36 17.045 -5.998 -5.852 1.00 0.00 H new ATOM 0 HA ARG A 36 16.657 -5.141 -7.862 1.00 0.00 H new ATOM 0 HB2 ARG A 36 19.684 -5.253 -7.985 1.00 0.00 H new ATOM 0 HB3 ARG A 36 18.736 -4.631 -9.321 1.00 0.00 H new ATOM 0 HG2 ARG A 36 19.207 -2.681 -8.160 1.00 0.00 H new ATOM 0 HG3 ARG A 36 17.634 -3.088 -7.503 1.00 0.00 H new ATOM 0 HD2 ARG A 36 19.334 -4.500 -5.830 1.00 0.00 H new ATOM 0 HD3 ARG A 36 20.285 -3.072 -6.187 1.00 0.00 H new ATOM 0 HE ARG A 36 17.650 -2.203 -5.550 1.00 0.00 H new ATOM 0 HH11 ARG A 36 20.424 -3.782 -4.022 1.00 0.00 H new ATOM 0 HH12 ARG A 36 20.041 -3.151 -2.417 1.00 0.00 H new ATOM 0 HH21 ARG A 36 17.172 -1.405 -3.483 1.00 0.00 H new ATOM 0 HH22 ARG A 36 18.210 -1.813 -2.114 1.00 0.00 H new ATOM 593 N PRO A 37 16.705 -6.617 -9.960 1.00 0.00 N ATOM 594 CA PRO A 37 16.512 -7.625 -11.008 1.00 0.00 C ATOM 595 C PRO A 37 17.755 -7.807 -11.874 1.00 0.00 C ATOM 596 O PRO A 37 18.170 -6.890 -12.581 1.00 0.00 O ATOM 597 CB PRO A 37 15.363 -7.051 -11.838 1.00 0.00 C ATOM 598 CG PRO A 37 15.461 -5.577 -11.648 1.00 0.00 C ATOM 599 CD PRO A 37 15.969 -5.371 -10.246 1.00 0.00 C ATOM 0 HA PRO A 37 16.308 -8.612 -10.594 1.00 0.00 H new ATOM 0 HB2 PRO A 37 15.459 -7.322 -12.889 1.00 0.00 H new ATOM 0 HB3 PRO A 37 14.400 -7.431 -11.498 1.00 0.00 H new ATOM 0 HG2 PRO A 37 16.139 -5.134 -12.377 1.00 0.00 H new ATOM 0 HG3 PRO A 37 14.490 -5.101 -11.785 1.00 0.00 H new ATOM 0 HD2 PRO A 37 16.617 -4.497 -10.178 1.00 0.00 H new ATOM 0 HD3 PRO A 37 15.152 -5.217 -9.541 1.00 0.00 H new ATOM 607 N ARG A 38 18.343 -8.997 -11.812 1.00 0.00 N ATOM 608 CA ARG A 38 19.537 -9.301 -12.590 1.00 0.00 C ATOM 609 C ARG A 38 19.239 -9.263 -14.086 1.00 0.00 C ATOM 610 O ARG A 38 18.077 -9.262 -14.497 1.00 0.00 O ATOM 611 CB ARG A 38 20.088 -10.674 -12.202 1.00 0.00 C ATOM 612 CG ARG A 38 21.606 -10.725 -12.141 1.00 0.00 C ATOM 613 CD ARG A 38 22.160 -9.713 -11.151 1.00 0.00 C ATOM 614 NE ARG A 38 21.419 -9.716 -9.891 1.00 0.00 N ATOM 615 CZ ARG A 38 21.506 -10.687 -8.982 1.00 0.00 C ATOM 616 NH1 ARG A 38 22.296 -11.732 -9.191 1.00 0.00 N ATOM 617 NH2 ARG A 38 20.798 -10.611 -7.864 1.00 0.00 N ATOM 0 H ARG A 38 18.011 -9.767 -11.231 1.00 0.00 H new ATOM 0 HA ARG A 38 20.286 -8.541 -12.369 1.00 0.00 H new ATOM 0 HB2 ARG A 38 19.684 -10.957 -11.230 1.00 0.00 H new ATOM 0 HB3 ARG A 38 19.736 -11.414 -12.921 1.00 0.00 H new ATOM 0 HG2 ARG A 38 21.926 -11.727 -11.855 1.00 0.00 H new ATOM 0 HG3 ARG A 38 22.017 -10.529 -13.131 1.00 0.00 H new ATOM 0 HD2 ARG A 38 23.209 -9.935 -10.955 1.00 0.00 H new ATOM 0 HD3 ARG A 38 22.122 -8.717 -11.592 1.00 0.00 H new ATOM 0 HE ARG A 38 20.799 -8.929 -9.696 1.00 0.00 H new ATOM 0 HH11 ARG A 38 22.841 -11.795 -10.051 1.00 0.00 H new ATOM 0 HH12 ARG A 38 22.359 -12.472 -8.492 1.00 0.00 H new ATOM 0 HH21 ARG A 38 20.188 -9.810 -7.700 1.00 0.00 H new ATOM 0 HH22 ARG A 38 20.863 -11.353 -7.167 1.00 0.00 H new ATOM 631 N PHE A 39 20.291 -9.231 -14.895 1.00 0.00 N ATOM 632 CA PHE A 39 20.143 -9.194 -16.346 1.00 0.00 C ATOM 633 C PHE A 39 19.355 -7.962 -16.780 1.00 0.00 C ATOM 634 O PHE A 39 19.034 -7.097 -15.965 1.00 0.00 O ATOM 635 CB PHE A 39 19.446 -10.463 -16.839 1.00 0.00 C ATOM 636 CG PHE A 39 20.392 -11.483 -17.409 1.00 0.00 C ATOM 637 CD1 PHE A 39 21.410 -12.010 -16.631 1.00 0.00 C ATOM 638 CD2 PHE A 39 20.261 -11.914 -18.719 1.00 0.00 C ATOM 639 CE1 PHE A 39 22.283 -12.948 -17.152 1.00 0.00 C ATOM 640 CE2 PHE A 39 21.130 -12.851 -19.244 1.00 0.00 C ATOM 641 CZ PHE A 39 22.142 -13.369 -18.460 1.00 0.00 C ATOM 0 H PHE A 39 21.258 -9.230 -14.571 1.00 0.00 H new ATOM 0 HA PHE A 39 21.138 -9.140 -16.789 1.00 0.00 H new ATOM 0 HB2 PHE A 39 18.896 -10.911 -16.011 1.00 0.00 H new ATOM 0 HB3 PHE A 39 18.713 -10.194 -17.600 1.00 0.00 H new ATOM 0 HD1 PHE A 39 21.523 -11.685 -15.607 1.00 0.00 H new ATOM 0 HD2 PHE A 39 19.471 -11.513 -19.337 1.00 0.00 H new ATOM 0 HE1 PHE A 39 23.074 -13.351 -16.537 1.00 0.00 H new ATOM 0 HE2 PHE A 39 21.018 -13.178 -20.267 1.00 0.00 H new ATOM 0 HZ PHE A 39 22.822 -14.102 -18.869 1.00 0.00 H new HETATM 651 N NH2 A 40 19.042 -7.885 -18.069 1.00 0.00 N TER 654 NH2 A 40