USER MOD reduce.3.24.130724 H: found=0, std=0, add=431, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 431 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 41 ASN : amide:sc= -3.94! C(o=-6.6!,f=-19!) USER MOD Set 1.2: A 44 LYS NZ :NH3+ -110:sc= -2.63! (180deg=-7.19!) USER MOD Set 2.1: A 27 THR OG1 : rot 139:sc= 1.14 USER MOD Set 2.2: A 29 SER OG : rot 180:sc= 0.964 USER MOD Set 3.1: A 9 LYS NZ :NH3+ -123:sc= 0.565 (180deg=-2.83!) USER MOD Set 3.2: A 22 TYR OH : rot 60:sc= -1.7 USER MOD Single : A 1 GLU N :NH3+ -138:sc= -3.64! (180deg=-6.52!) USER MOD Single : A 2 THR OG1 : rot -62:sc= 0.622 USER MOD Single : A 6 LYS NZ :NH3+ -106:sc= -4.47! (180deg=-8.09!) USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.152 USER MOD Single : A 20 LYS NZ :NH3+ -117:sc= -1.23 (180deg=-9.04!) USER MOD Single : A 23 TYR OH : rot 89:sc= -0.0687 USER MOD Single : A 26 ASN : amide:sc= -0.498 K(o=-0.5,f=-2.7!) USER MOD Single : A 28 LYS NZ :NH3+ -114:sc= -3.25! (180deg=-4.76!) USER MOD Single : A 35 TYR OH : rot 29:sc= 0.695 USER MOD Single : A 43 ASN : amide:sc= -0.928 K(o=-0.93,f=-7.7!) USER MOD Single : A 47 SER OG : rot 180:sc= -0.0192 USER MOD Single : A 48 GLN : amide:sc= -0.738! K(o=-0.74!,f=0.04) USER MOD Single : A 49 LYS NZ :NH3+ 148:sc= -0.904! (180deg=-3.51!) USER MOD Single : A 53 LYS NZ :NH3+ 140:sc= -5.2! (180deg=-7.03!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -8.258 -13.488 0.698 1.00 0.00 N ATOM 2 CA GLU A 1 -7.846 -12.700 1.913 1.00 0.00 C ATOM 3 C GLU A 1 -6.471 -12.061 1.584 1.00 0.00 C ATOM 4 O GLU A 1 -5.727 -12.742 0.915 1.00 0.00 O ATOM 5 CB GLU A 1 -7.781 -13.712 3.151 1.00 0.00 C ATOM 6 CG GLU A 1 -9.237 -14.305 3.489 1.00 0.00 C ATOM 7 CD GLU A 1 -9.974 -14.586 2.210 1.00 0.00 C ATOM 8 OE1 GLU A 1 -9.707 -15.630 1.665 1.00 0.00 O ATOM 9 OE2 GLU A 1 -10.712 -13.705 1.836 1.00 0.00 O ATOM 0 H1 GLU A 1 -9.271 -13.339 0.515 1.00 0.00 H new ATOM 0 H2 GLU A 1 -7.707 -13.171 -0.125 1.00 0.00 H new ATOM 0 H3 GLU A 1 -8.081 -14.499 0.864 1.00 0.00 H new ATOM 0 HA GLU A 1 -8.544 -11.905 2.175 1.00 0.00 H new ATOM 0 HB2 GLU A 1 -7.096 -14.529 2.922 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -7.382 -13.197 4.025 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -9.142 -15.219 4.075 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -9.798 -13.595 4.096 1.00 0.00 H new ATOM 18 N THR A 2 -6.138 -10.859 2.019 1.00 0.00 N ATOM 19 CA THR A 2 -4.791 -10.196 1.707 1.00 0.00 C ATOM 20 C THR A 2 -4.069 -10.753 0.476 1.00 0.00 C ATOM 21 O THR A 2 -2.930 -11.176 0.440 1.00 0.00 O ATOM 22 CB THR A 2 -3.906 -10.333 2.956 1.00 0.00 C ATOM 23 OG1 THR A 2 -4.652 -9.596 3.909 1.00 0.00 O ATOM 24 CG2 THR A 2 -2.639 -9.501 2.920 1.00 0.00 C ATOM 0 H THR A 2 -6.753 -10.284 2.595 1.00 0.00 H new ATOM 0 HA THR A 2 -4.990 -9.154 1.457 1.00 0.00 H new ATOM 0 HB THR A 2 -3.664 -11.385 3.105 1.00 0.00 H new ATOM 0 HG1 THR A 2 -4.721 -8.662 3.619 1.00 0.00 H new ATOM 0 HG21 THR A 2 -2.075 -9.658 3.839 1.00 0.00 H new ATOM 0 HG22 THR A 2 -2.031 -9.800 2.066 1.00 0.00 H new ATOM 0 HG23 THR A 2 -2.899 -8.446 2.829 1.00 0.00 H new ATOM 32 N ASP A 3 -4.868 -10.699 -0.538 1.00 0.00 N ATOM 33 CA ASP A 3 -4.557 -11.144 -1.919 1.00 0.00 C ATOM 34 C ASP A 3 -4.565 -9.902 -2.860 1.00 0.00 C ATOM 35 O ASP A 3 -5.225 -9.832 -3.888 1.00 0.00 O ATOM 36 CB ASP A 3 -5.656 -12.234 -2.199 1.00 0.00 C ATOM 37 CG ASP A 3 -7.053 -11.817 -1.819 1.00 0.00 C ATOM 38 OD1 ASP A 3 -7.307 -10.675 -1.516 1.00 0.00 O ATOM 39 OD2 ASP A 3 -7.899 -12.671 -1.852 1.00 0.00 O ATOM 0 H ASP A 3 -5.815 -10.328 -0.455 1.00 0.00 H new ATOM 0 HA ASP A 3 -3.571 -11.580 -2.080 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -5.640 -12.485 -3.260 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -5.399 -13.141 -1.653 1.00 0.00 H new ATOM 44 N ILE A 4 -3.787 -8.952 -2.423 1.00 0.00 N ATOM 45 CA ILE A 4 -3.588 -7.638 -3.114 1.00 0.00 C ATOM 46 C ILE A 4 -3.394 -7.750 -4.630 1.00 0.00 C ATOM 47 O ILE A 4 -3.800 -6.914 -5.409 1.00 0.00 O ATOM 48 CB ILE A 4 -2.365 -6.917 -2.428 1.00 0.00 C ATOM 49 CG1 ILE A 4 -1.987 -5.666 -3.270 1.00 0.00 C ATOM 50 CG2 ILE A 4 -1.136 -7.862 -2.286 1.00 0.00 C ATOM 51 CD1 ILE A 4 -0.924 -4.811 -2.551 1.00 0.00 C ATOM 0 H ILE A 4 -3.247 -9.037 -1.562 1.00 0.00 H new ATOM 0 HA ILE A 4 -4.501 -7.053 -3.004 1.00 0.00 H new ATOM 0 HB ILE A 4 -2.657 -6.622 -1.420 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -1.608 -5.980 -4.243 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -2.878 -5.065 -3.454 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -0.317 -7.324 -1.809 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -1.408 -8.724 -1.677 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -0.821 -8.200 -3.273 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -0.680 -3.943 -3.164 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -1.315 -4.478 -1.589 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -0.025 -5.407 -2.391 1.00 0.00 H new ATOM 63 N CYS A 5 -2.777 -8.825 -4.994 1.00 0.00 N ATOM 64 CA CYS A 5 -2.468 -9.148 -6.421 1.00 0.00 C ATOM 65 C CYS A 5 -3.677 -9.012 -7.373 1.00 0.00 C ATOM 66 O CYS A 5 -3.554 -8.854 -8.571 1.00 0.00 O ATOM 67 CB CYS A 5 -1.909 -10.568 -6.407 1.00 0.00 C ATOM 68 SG CYS A 5 -0.371 -10.851 -5.504 1.00 0.00 S ATOM 0 H CYS A 5 -2.455 -9.533 -4.335 1.00 0.00 H new ATOM 0 HA CYS A 5 -1.753 -8.429 -6.820 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -2.671 -11.225 -5.987 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -1.754 -10.879 -7.440 1.00 0.00 H new ATOM 73 N LYS A 6 -4.831 -9.085 -6.777 1.00 0.00 N ATOM 74 CA LYS A 6 -6.127 -8.987 -7.500 1.00 0.00 C ATOM 75 C LYS A 6 -6.905 -7.650 -7.232 1.00 0.00 C ATOM 76 O LYS A 6 -8.092 -7.553 -7.469 1.00 0.00 O ATOM 77 CB LYS A 6 -6.791 -10.330 -7.030 1.00 0.00 C ATOM 78 CG LYS A 6 -8.266 -10.158 -6.726 1.00 0.00 C ATOM 79 CD LYS A 6 -8.861 -11.452 -6.079 1.00 0.00 C ATOM 80 CE LYS A 6 -8.136 -11.827 -4.776 1.00 0.00 C ATOM 81 NZ LYS A 6 -8.095 -10.602 -3.934 1.00 0.00 N ATOM 0 H LYS A 6 -4.932 -9.215 -5.770 1.00 0.00 H new ATOM 0 HA LYS A 6 -6.074 -8.908 -8.586 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -6.666 -11.087 -7.805 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -6.278 -10.696 -6.141 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -8.406 -9.313 -6.052 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -8.805 -9.926 -7.644 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -9.921 -11.301 -5.874 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -8.787 -12.278 -6.786 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -8.660 -12.632 -4.261 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -7.128 -12.186 -4.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -7.131 -10.213 -3.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -8.754 -9.895 -4.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -8.372 -10.841 -2.960 1.00 0.00 H new ATOM 95 N LEU A 7 -6.223 -6.654 -6.743 1.00 0.00 N ATOM 96 CA LEU A 7 -6.853 -5.338 -6.451 1.00 0.00 C ATOM 97 C LEU A 7 -6.457 -4.185 -7.432 1.00 0.00 C ATOM 98 O LEU A 7 -5.512 -4.283 -8.192 1.00 0.00 O ATOM 99 CB LEU A 7 -6.478 -4.970 -4.988 1.00 0.00 C ATOM 100 CG LEU A 7 -6.831 -6.098 -4.007 1.00 0.00 C ATOM 101 CD1 LEU A 7 -6.514 -5.607 -2.588 1.00 0.00 C ATOM 102 CD2 LEU A 7 -8.333 -6.398 -4.042 1.00 0.00 C ATOM 0 H LEU A 7 -5.227 -6.699 -6.528 1.00 0.00 H new ATOM 0 HA LEU A 7 -7.929 -5.443 -6.589 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -5.410 -4.758 -4.929 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -7.001 -4.059 -4.697 1.00 0.00 H new ATOM 0 HG LEU A 7 -6.266 -6.989 -4.280 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -6.756 -6.390 -1.869 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -5.454 -5.363 -2.516 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -7.107 -4.719 -2.370 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -8.560 -7.200 -3.340 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -8.889 -5.503 -3.763 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -8.619 -6.705 -5.048 1.00 0.00 H new ATOM 114 N PRO A 8 -7.205 -3.105 -7.393 1.00 0.00 N ATOM 115 CA PRO A 8 -6.890 -1.860 -8.138 1.00 0.00 C ATOM 116 C PRO A 8 -6.263 -0.732 -7.284 1.00 0.00 C ATOM 117 O PRO A 8 -5.838 -0.871 -6.154 1.00 0.00 O ATOM 118 CB PRO A 8 -8.261 -1.562 -8.720 1.00 0.00 C ATOM 119 CG PRO A 8 -9.166 -1.783 -7.458 1.00 0.00 C ATOM 120 CD PRO A 8 -8.495 -2.945 -6.659 1.00 0.00 C ATOM 0 HA PRO A 8 -6.101 -1.956 -8.884 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -8.334 -0.546 -9.109 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -8.519 -2.235 -9.537 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -9.227 -0.877 -6.855 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -10.185 -2.043 -7.747 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -8.341 -2.687 -5.611 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -9.094 -3.856 -6.679 1.00 0.00 H new ATOM 128 N LYS A 9 -6.223 0.389 -7.940 1.00 0.00 N ATOM 129 CA LYS A 9 -5.673 1.649 -7.324 1.00 0.00 C ATOM 130 C LYS A 9 -6.395 1.904 -5.946 1.00 0.00 C ATOM 131 O LYS A 9 -7.540 1.512 -5.824 1.00 0.00 O ATOM 132 CB LYS A 9 -5.954 2.825 -8.306 1.00 0.00 C ATOM 133 CG LYS A 9 -5.157 2.823 -9.655 1.00 0.00 C ATOM 134 CD LYS A 9 -5.572 1.709 -10.725 1.00 0.00 C ATOM 135 CE LYS A 9 -4.483 0.639 -10.767 1.00 0.00 C ATOM 136 NZ LYS A 9 -4.483 -0.143 -12.048 1.00 0.00 N ATOM 0 H LYS A 9 -6.553 0.499 -8.899 1.00 0.00 H new ATOM 0 HA LYS A 9 -4.601 1.563 -7.147 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -7.019 2.825 -8.540 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -5.741 3.760 -7.787 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -5.270 3.802 -10.120 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -4.098 2.699 -9.426 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -6.529 1.263 -10.454 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -5.697 2.159 -11.710 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -3.510 1.112 -10.636 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -4.620 -0.045 -9.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -4.591 -1.156 -11.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -5.273 0.172 -12.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -3.585 0.012 -12.550 1.00 0.00 H new ATOM 150 N ASP A 10 -5.762 2.519 -4.978 1.00 0.00 N ATOM 151 CA ASP A 10 -6.464 2.765 -3.664 1.00 0.00 C ATOM 152 C ASP A 10 -6.568 4.276 -3.306 1.00 0.00 C ATOM 153 O ASP A 10 -5.779 5.073 -3.770 1.00 0.00 O ATOM 154 CB ASP A 10 -5.687 2.018 -2.521 1.00 0.00 C ATOM 155 CG ASP A 10 -6.462 2.141 -1.216 1.00 0.00 C ATOM 156 OD1 ASP A 10 -7.649 1.930 -1.243 1.00 0.00 O ATOM 157 OD2 ASP A 10 -5.858 2.441 -0.207 1.00 0.00 O ATOM 0 H ASP A 10 -4.802 2.860 -5.031 1.00 0.00 H new ATOM 0 HA ASP A 10 -7.481 2.386 -3.764 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -5.557 0.968 -2.781 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -4.690 2.444 -2.406 1.00 0.00 H new ATOM 162 N GLU A 11 -7.536 4.594 -2.485 1.00 0.00 N ATOM 163 CA GLU A 11 -7.787 5.992 -2.022 1.00 0.00 C ATOM 164 C GLU A 11 -8.852 6.103 -0.878 1.00 0.00 C ATOM 165 O GLU A 11 -8.540 6.448 0.245 1.00 0.00 O ATOM 166 CB GLU A 11 -8.215 6.825 -3.313 1.00 0.00 C ATOM 167 CG GLU A 11 -9.694 6.516 -3.823 1.00 0.00 C ATOM 168 CD GLU A 11 -10.016 7.223 -5.120 1.00 0.00 C ATOM 169 OE1 GLU A 11 -9.424 6.930 -6.133 1.00 0.00 O ATOM 170 OE2 GLU A 11 -10.872 8.081 -5.049 1.00 0.00 O ATOM 0 H GLU A 11 -8.190 3.911 -2.101 1.00 0.00 H new ATOM 0 HA GLU A 11 -6.879 6.391 -1.569 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -8.133 7.889 -3.090 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -7.512 6.613 -4.119 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -9.811 5.441 -3.960 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -10.410 6.820 -3.059 1.00 0.00 H new ATOM 177 N GLY A 12 -10.100 5.826 -1.145 1.00 0.00 N ATOM 178 CA GLY A 12 -11.212 5.906 -0.114 1.00 0.00 C ATOM 179 C GLY A 12 -12.240 7.020 -0.391 1.00 0.00 C ATOM 180 O GLY A 12 -13.355 6.739 -0.769 1.00 0.00 O ATOM 0 H GLY A 12 -10.420 5.535 -2.069 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -11.730 4.948 -0.077 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -10.771 6.068 0.870 1.00 0.00 H new ATOM 184 N THR A 13 -11.864 8.257 -0.200 1.00 0.00 N ATOM 185 CA THR A 13 -12.827 9.422 -0.453 1.00 0.00 C ATOM 186 C THR A 13 -12.195 10.782 -0.831 1.00 0.00 C ATOM 187 O THR A 13 -12.488 11.374 -1.848 1.00 0.00 O ATOM 188 CB THR A 13 -13.709 9.676 0.803 1.00 0.00 C ATOM 189 OG1 THR A 13 -14.429 8.482 1.045 1.00 0.00 O ATOM 190 CG2 THR A 13 -14.890 10.561 0.485 1.00 0.00 C ATOM 0 H THR A 13 -10.936 8.533 0.120 1.00 0.00 H new ATOM 0 HA THR A 13 -13.389 9.084 -1.324 1.00 0.00 H new ATOM 0 HB THR A 13 -13.046 10.061 1.578 1.00 0.00 H new ATOM 0 HG1 THR A 13 -15.000 8.598 1.833 1.00 0.00 H new ATOM 0 HG21 THR A 13 -15.482 10.716 1.387 1.00 0.00 H new ATOM 0 HG22 THR A 13 -14.535 11.523 0.115 1.00 0.00 H new ATOM 0 HG23 THR A 13 -15.507 10.085 -0.277 1.00 0.00 H new ATOM 198 N CYS A 14 -11.334 11.231 0.033 1.00 0.00 N ATOM 199 CA CYS A 14 -10.585 12.526 -0.095 1.00 0.00 C ATOM 200 C CYS A 14 -9.309 12.362 -0.969 1.00 0.00 C ATOM 201 O CYS A 14 -9.143 11.303 -1.552 1.00 0.00 O ATOM 202 CB CYS A 14 -10.349 12.893 1.379 1.00 0.00 C ATOM 203 SG CYS A 14 -11.656 12.265 2.469 1.00 0.00 S ATOM 0 H CYS A 14 -11.100 10.720 0.884 1.00 0.00 H new ATOM 0 HA CYS A 14 -11.105 13.325 -0.623 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -9.388 12.492 1.701 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -10.290 13.977 1.475 1.00 0.00 H new ATOM 208 N ARG A 15 -8.444 13.341 -1.093 1.00 0.00 N ATOM 209 CA ARG A 15 -7.220 13.112 -1.960 1.00 0.00 C ATOM 210 C ARG A 15 -5.988 14.046 -1.789 1.00 0.00 C ATOM 211 O ARG A 15 -5.333 14.479 -2.721 1.00 0.00 O ATOM 212 CB ARG A 15 -7.834 13.092 -3.393 1.00 0.00 C ATOM 213 CG ARG A 15 -6.851 13.093 -4.591 1.00 0.00 C ATOM 214 CD ARG A 15 -7.520 12.362 -5.776 1.00 0.00 C ATOM 215 NE ARG A 15 -7.515 10.911 -5.368 1.00 0.00 N ATOM 216 CZ ARG A 15 -8.520 10.142 -5.307 1.00 0.00 C ATOM 217 NH1 ARG A 15 -8.859 9.545 -6.342 1.00 0.00 N ATOM 218 NH2 ARG A 15 -9.122 10.004 -4.221 1.00 0.00 N ATOM 0 H ARG A 15 -8.517 14.259 -0.654 1.00 0.00 H new ATOM 0 HA ARG A 15 -6.712 12.194 -1.664 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -8.465 12.207 -3.476 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -8.486 13.960 -3.492 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -6.597 14.115 -4.871 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -5.920 12.597 -4.317 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -8.534 12.724 -5.946 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -6.967 12.517 -6.702 1.00 0.00 H new ATOM 0 HE ARG A 15 -6.613 10.508 -5.116 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -8.333 9.682 -7.205 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -9.663 8.918 -6.329 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -8.803 10.508 -3.394 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -9.932 9.387 -4.162 1.00 0.00 H new ATOM 232 N ASP A 16 -5.691 14.279 -0.555 1.00 0.00 N ATOM 233 CA ASP A 16 -4.571 15.147 -0.115 1.00 0.00 C ATOM 234 C ASP A 16 -3.386 14.278 0.452 1.00 0.00 C ATOM 235 O ASP A 16 -3.068 14.323 1.625 1.00 0.00 O ATOM 236 CB ASP A 16 -5.313 16.093 0.897 1.00 0.00 C ATOM 237 CG ASP A 16 -6.699 16.545 0.406 1.00 0.00 C ATOM 238 OD1 ASP A 16 -7.594 15.707 0.375 1.00 0.00 O ATOM 239 OD2 ASP A 16 -6.781 17.711 0.086 1.00 0.00 O ATOM 0 H ASP A 16 -6.215 13.876 0.222 1.00 0.00 H new ATOM 0 HA ASP A 16 -4.057 15.727 -0.882 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -5.424 15.577 1.851 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -4.696 16.973 1.080 1.00 0.00 H new ATOM 244 N PHE A 17 -2.736 13.488 -0.380 1.00 0.00 N ATOM 245 CA PHE A 17 -1.592 12.626 0.146 1.00 0.00 C ATOM 246 C PHE A 17 -0.080 12.749 -0.246 1.00 0.00 C ATOM 247 O PHE A 17 0.665 13.543 0.283 1.00 0.00 O ATOM 248 CB PHE A 17 -1.942 11.115 -0.095 1.00 0.00 C ATOM 249 CG PHE A 17 -3.206 10.530 0.506 1.00 0.00 C ATOM 250 CD1 PHE A 17 -4.078 11.176 1.343 1.00 0.00 C ATOM 251 CD2 PHE A 17 -3.416 9.211 0.204 1.00 0.00 C ATOM 252 CE1 PHE A 17 -5.143 10.491 1.872 1.00 0.00 C ATOM 253 CE2 PHE A 17 -4.474 8.519 0.726 1.00 0.00 C ATOM 254 CZ PHE A 17 -5.335 9.162 1.567 1.00 0.00 C ATOM 0 H PHE A 17 -2.933 13.396 -1.377 1.00 0.00 H new ATOM 0 HA PHE A 17 -1.582 13.054 1.149 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -1.993 10.961 -1.173 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -1.103 10.524 0.273 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -3.928 12.218 1.585 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -2.731 8.706 -0.461 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -5.834 10.997 2.531 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -4.626 7.479 0.476 1.00 0.00 H new ATOM 0 HZ PHE A 17 -6.170 8.627 1.995 1.00 0.00 H new ATOM 264 N ILE A 18 0.318 11.936 -1.191 1.00 0.00 N ATOM 265 CA ILE A 18 1.707 11.831 -1.721 1.00 0.00 C ATOM 266 C ILE A 18 1.692 10.809 -2.900 1.00 0.00 C ATOM 267 O ILE A 18 0.658 10.221 -3.168 1.00 0.00 O ATOM 268 CB ILE A 18 2.576 11.396 -0.463 1.00 0.00 C ATOM 269 CG1 ILE A 18 4.055 11.070 -0.799 1.00 0.00 C ATOM 270 CG2 ILE A 18 1.865 10.196 0.298 1.00 0.00 C ATOM 271 CD1 ILE A 18 4.264 9.555 -1.003 1.00 0.00 C ATOM 0 H ILE A 18 -0.324 11.290 -1.650 1.00 0.00 H new ATOM 0 HA ILE A 18 2.128 12.746 -2.138 1.00 0.00 H new ATOM 0 HB ILE A 18 2.627 12.261 0.198 1.00 0.00 H new ATOM 0 HG12 ILE A 18 4.351 11.605 -1.701 1.00 0.00 H new ATOM 0 HG13 ILE A 18 4.699 11.423 0.006 1.00 0.00 H new ATOM 0 HG21 ILE A 18 2.467 9.904 1.159 1.00 0.00 H new ATOM 0 HG22 ILE A 18 0.878 10.513 0.636 1.00 0.00 H new ATOM 0 HG23 ILE A 18 1.762 9.347 -0.378 1.00 0.00 H new ATOM 0 HD11 ILE A 18 5.311 9.360 -1.237 1.00 0.00 H new ATOM 0 HD12 ILE A 18 3.991 9.024 -0.091 1.00 0.00 H new ATOM 0 HD13 ILE A 18 3.638 9.209 -1.825 1.00 0.00 H new ATOM 283 N LEU A 19 2.804 10.615 -3.551 1.00 0.00 N ATOM 284 CA LEU A 19 2.918 9.663 -4.705 1.00 0.00 C ATOM 285 C LEU A 19 3.434 8.281 -4.204 1.00 0.00 C ATOM 286 O LEU A 19 4.385 8.168 -3.448 1.00 0.00 O ATOM 287 CB LEU A 19 3.854 10.421 -5.678 1.00 0.00 C ATOM 288 CG LEU A 19 4.386 9.501 -6.803 1.00 0.00 C ATOM 289 CD1 LEU A 19 3.252 8.917 -7.657 1.00 0.00 C ATOM 290 CD2 LEU A 19 5.264 10.298 -7.764 1.00 0.00 C ATOM 0 H LEU A 19 3.676 11.094 -3.325 1.00 0.00 H new ATOM 0 HA LEU A 19 1.985 9.406 -5.207 1.00 0.00 H new ATOM 0 HB2 LEU A 19 3.316 11.260 -6.119 1.00 0.00 H new ATOM 0 HB3 LEU A 19 4.694 10.838 -5.123 1.00 0.00 H new ATOM 0 HG LEU A 19 4.936 8.703 -6.305 1.00 0.00 H new ATOM 0 HD11 LEU A 19 3.673 8.278 -8.433 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.586 8.329 -7.025 1.00 0.00 H new ATOM 0 HD13 LEU A 19 2.690 9.728 -8.120 1.00 0.00 H new ATOM 0 HD21 LEU A 19 5.632 9.640 -8.551 1.00 0.00 H new ATOM 0 HD22 LEU A 19 4.679 11.103 -8.208 1.00 0.00 H new ATOM 0 HD23 LEU A 19 6.108 10.721 -7.220 1.00 0.00 H new ATOM 302 N LYS A 20 2.814 7.208 -4.603 1.00 0.00 N ATOM 303 CA LYS A 20 3.282 5.852 -4.121 1.00 0.00 C ATOM 304 C LYS A 20 3.395 4.793 -5.244 1.00 0.00 C ATOM 305 O LYS A 20 3.028 5.075 -6.363 1.00 0.00 O ATOM 306 CB LYS A 20 2.262 5.396 -3.000 1.00 0.00 C ATOM 307 CG LYS A 20 1.962 6.539 -1.954 1.00 0.00 C ATOM 308 CD LYS A 20 2.489 6.269 -0.507 1.00 0.00 C ATOM 309 CE LYS A 20 3.883 5.663 -0.413 1.00 0.00 C ATOM 310 NZ LYS A 20 4.772 6.285 -1.445 1.00 0.00 N ATOM 0 H LYS A 20 2.012 7.195 -5.234 1.00 0.00 H new ATOM 0 HA LYS A 20 4.297 5.940 -3.734 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.329 5.083 -3.468 1.00 0.00 H new ATOM 0 HB3 LYS A 20 2.665 4.527 -2.479 1.00 0.00 H new ATOM 0 HG2 LYS A 20 2.403 7.467 -2.317 1.00 0.00 H new ATOM 0 HG3 LYS A 20 0.884 6.695 -1.908 1.00 0.00 H new ATOM 0 HD2 LYS A 20 2.484 7.210 0.043 1.00 0.00 H new ATOM 0 HD3 LYS A 20 1.789 5.602 -0.004 1.00 0.00 H new ATOM 0 HE2 LYS A 20 4.295 5.826 0.583 1.00 0.00 H new ATOM 0 HE3 LYS A 20 3.833 4.585 -0.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 5.086 5.556 -2.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 4.247 7.024 -1.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 5.601 6.707 -0.980 1.00 0.00 H new ATOM 324 N TRP A 21 3.876 3.616 -4.929 1.00 0.00 N ATOM 325 CA TRP A 21 4.000 2.553 -5.982 1.00 0.00 C ATOM 326 C TRP A 21 2.916 1.525 -5.667 1.00 0.00 C ATOM 327 O TRP A 21 2.751 1.177 -4.520 1.00 0.00 O ATOM 328 CB TRP A 21 5.374 1.851 -5.917 1.00 0.00 C ATOM 329 CG TRP A 21 6.495 2.781 -6.370 1.00 0.00 C ATOM 330 CD1 TRP A 21 7.097 3.715 -5.590 1.00 0.00 C ATOM 331 CD2 TRP A 21 7.039 2.799 -7.605 1.00 0.00 C ATOM 332 NE1 TRP A 21 7.984 4.256 -6.409 1.00 0.00 N ATOM 333 CE2 TRP A 21 8.029 3.771 -7.636 1.00 0.00 C ATOM 334 CE3 TRP A 21 6.778 2.037 -8.751 1.00 0.00 C ATOM 335 CZ2 TRP A 21 8.764 3.992 -8.789 1.00 0.00 C ATOM 336 CZ3 TRP A 21 7.516 2.253 -9.914 1.00 0.00 C ATOM 337 CH2 TRP A 21 8.510 3.230 -9.936 1.00 0.00 C ATOM 0 H TRP A 21 4.187 3.343 -3.997 1.00 0.00 H new ATOM 0 HA TRP A 21 3.898 2.992 -6.975 1.00 0.00 H new ATOM 0 HB2 TRP A 21 5.566 1.517 -4.897 1.00 0.00 H new ATOM 0 HB3 TRP A 21 5.360 0.961 -6.547 1.00 0.00 H new ATOM 0 HD1 TRP A 21 6.900 3.957 -4.556 1.00 0.00 H new ATOM 0 HE1 TRP A 21 8.602 5.010 -6.108 1.00 0.00 H new ATOM 0 HE3 TRP A 21 6.005 1.283 -8.734 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 9.532 4.751 -8.803 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 7.318 1.664 -10.797 1.00 0.00 H new ATOM 0 HH2 TRP A 21 9.083 3.399 -10.836 1.00 0.00 H new ATOM 348 N TYR A 22 2.209 1.063 -6.638 1.00 0.00 N ATOM 349 CA TYR A 22 1.142 0.057 -6.365 1.00 0.00 C ATOM 350 C TYR A 22 1.302 -1.079 -7.382 1.00 0.00 C ATOM 351 O TYR A 22 1.919 -0.886 -8.411 1.00 0.00 O ATOM 352 CB TYR A 22 -0.231 0.768 -6.509 1.00 0.00 C ATOM 353 CG TYR A 22 -0.686 0.663 -7.966 1.00 0.00 C ATOM 354 CD1 TYR A 22 -0.329 1.613 -8.886 1.00 0.00 C ATOM 355 CD2 TYR A 22 -1.449 -0.417 -8.370 1.00 0.00 C ATOM 356 CE1 TYR A 22 -0.743 1.468 -10.189 1.00 0.00 C ATOM 357 CE2 TYR A 22 -1.858 -0.549 -9.678 1.00 0.00 C ATOM 358 CZ TYR A 22 -1.492 0.416 -10.583 1.00 0.00 C ATOM 359 OH TYR A 22 -1.875 0.425 -11.899 1.00 0.00 O ATOM 0 H TYR A 22 2.315 1.332 -7.616 1.00 0.00 H new ATOM 0 HA TYR A 22 1.211 -0.361 -5.361 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -0.966 0.307 -5.849 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -0.148 1.814 -6.213 1.00 0.00 H new ATOM 0 HD1 TYR A 22 0.269 2.463 -8.592 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -1.729 -1.169 -7.648 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -0.462 2.215 -10.916 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -2.455 -1.395 -9.986 1.00 0.00 H new ATOM 0 HH TYR A 22 -1.079 0.428 -12.471 1.00 0.00 H new ATOM 369 N TYR A 23 0.711 -2.178 -7.059 1.00 0.00 N ATOM 370 CA TYR A 23 0.751 -3.393 -7.915 1.00 0.00 C ATOM 371 C TYR A 23 -0.442 -3.414 -8.899 1.00 0.00 C ATOM 372 O TYR A 23 -1.579 -3.320 -8.465 1.00 0.00 O ATOM 373 CB TYR A 23 0.709 -4.538 -6.943 1.00 0.00 C ATOM 374 CG TYR A 23 0.805 -5.859 -7.696 1.00 0.00 C ATOM 375 CD1 TYR A 23 2.024 -6.409 -8.011 1.00 0.00 C ATOM 376 CD2 TYR A 23 -0.353 -6.507 -8.068 1.00 0.00 C ATOM 377 CE1 TYR A 23 2.078 -7.607 -8.696 1.00 0.00 C ATOM 378 CE2 TYR A 23 -0.288 -7.703 -8.753 1.00 0.00 C ATOM 379 CZ TYR A 23 0.924 -8.250 -9.063 1.00 0.00 C ATOM 380 OH TYR A 23 0.975 -9.449 -9.727 1.00 0.00 O ATOM 0 H TYR A 23 0.176 -2.296 -6.199 1.00 0.00 H new ATOM 0 HA TYR A 23 1.639 -3.438 -8.545 1.00 0.00 H new ATOM 0 HB2 TYR A 23 1.531 -4.454 -6.232 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -0.216 -4.504 -6.367 1.00 0.00 H new ATOM 0 HD1 TYR A 23 2.936 -5.907 -7.724 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -1.313 -6.078 -7.823 1.00 0.00 H new ATOM 0 HE1 TYR A 23 3.036 -8.040 -8.944 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -1.197 -8.207 -9.044 1.00 0.00 H new ATOM 0 HH TYR A 23 1.001 -10.182 -9.077 1.00 0.00 H new ATOM 390 N ASP A 24 -0.196 -3.537 -10.173 1.00 0.00 N ATOM 391 CA ASP A 24 -1.346 -3.560 -11.119 1.00 0.00 C ATOM 392 C ASP A 24 -1.467 -5.000 -11.723 1.00 0.00 C ATOM 393 O ASP A 24 -0.651 -5.371 -12.550 1.00 0.00 O ATOM 394 CB ASP A 24 -1.129 -2.532 -12.256 1.00 0.00 C ATOM 395 CG ASP A 24 -2.490 -2.129 -12.857 1.00 0.00 C ATOM 396 OD1 ASP A 24 -3.527 -2.640 -12.478 1.00 0.00 O ATOM 397 OD2 ASP A 24 -2.489 -1.271 -13.705 1.00 0.00 O ATOM 0 H ASP A 24 0.729 -3.621 -10.594 1.00 0.00 H new ATOM 0 HA ASP A 24 -2.261 -3.297 -10.588 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -0.616 -1.651 -11.870 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -0.491 -2.960 -13.029 1.00 0.00 H new ATOM 402 N PRO A 25 -2.434 -5.800 -11.330 1.00 0.00 N ATOM 403 CA PRO A 25 -2.794 -7.049 -12.079 1.00 0.00 C ATOM 404 C PRO A 25 -2.575 -6.969 -13.625 1.00 0.00 C ATOM 405 O PRO A 25 -2.276 -7.940 -14.304 1.00 0.00 O ATOM 406 CB PRO A 25 -4.264 -7.296 -11.614 1.00 0.00 C ATOM 407 CG PRO A 25 -4.635 -6.011 -10.795 1.00 0.00 C ATOM 408 CD PRO A 25 -3.319 -5.604 -10.151 1.00 0.00 C ATOM 0 HA PRO A 25 -2.141 -7.893 -11.856 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -4.932 -7.432 -12.464 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -4.341 -8.194 -11.001 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -5.026 -5.224 -11.440 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -5.400 -6.220 -10.047 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -3.324 -4.575 -9.790 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -3.047 -6.237 -9.306 1.00 0.00 H new ATOM 416 N ASN A 26 -2.716 -5.780 -14.142 1.00 0.00 N ATOM 417 CA ASN A 26 -2.552 -5.488 -15.601 1.00 0.00 C ATOM 418 C ASN A 26 -1.155 -5.974 -16.037 1.00 0.00 C ATOM 419 O ASN A 26 -0.953 -6.718 -16.983 1.00 0.00 O ATOM 420 CB ASN A 26 -2.724 -3.953 -15.756 1.00 0.00 C ATOM 421 CG ASN A 26 -2.514 -3.528 -17.190 1.00 0.00 C ATOM 422 OD1 ASN A 26 -1.504 -3.775 -17.797 1.00 0.00 O ATOM 423 ND2 ASN A 26 -3.421 -2.878 -17.819 1.00 0.00 N ATOM 0 H ASN A 26 -2.950 -4.957 -13.586 1.00 0.00 H new ATOM 0 HA ASN A 26 -3.281 -5.997 -16.231 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -3.721 -3.660 -15.428 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -2.012 -3.437 -15.112 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -3.268 -2.596 -18.787 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -4.297 -2.642 -17.352 1.00 0.00 H new ATOM 430 N THR A 27 -0.219 -5.558 -15.247 1.00 0.00 N ATOM 431 CA THR A 27 1.225 -5.914 -15.515 1.00 0.00 C ATOM 432 C THR A 27 1.624 -7.152 -14.738 1.00 0.00 C ATOM 433 O THR A 27 2.134 -8.073 -15.340 1.00 0.00 O ATOM 434 CB THR A 27 2.193 -4.769 -15.091 1.00 0.00 C ATOM 435 OG1 THR A 27 2.180 -4.742 -13.676 1.00 0.00 O ATOM 436 CG2 THR A 27 1.620 -3.398 -15.340 1.00 0.00 C ATOM 0 H THR A 27 -0.374 -4.983 -14.419 1.00 0.00 H new ATOM 0 HA THR A 27 1.304 -6.085 -16.589 1.00 0.00 H new ATOM 0 HB THR A 27 3.132 -4.949 -15.614 1.00 0.00 H new ATOM 0 HG1 THR A 27 3.091 -4.603 -13.343 1.00 0.00 H new ATOM 0 HG21 THR A 27 2.338 -2.641 -15.025 1.00 0.00 H new ATOM 0 HG22 THR A 27 1.409 -3.279 -16.403 1.00 0.00 H new ATOM 0 HG23 THR A 27 0.697 -3.281 -14.772 1.00 0.00 H new ATOM 444 N LYS A 28 1.340 -7.113 -13.474 1.00 0.00 N ATOM 445 CA LYS A 28 1.591 -8.136 -12.411 1.00 0.00 C ATOM 446 C LYS A 28 2.925 -7.853 -11.685 1.00 0.00 C ATOM 447 O LYS A 28 3.638 -8.699 -11.180 1.00 0.00 O ATOM 448 CB LYS A 28 1.557 -9.590 -13.052 1.00 0.00 C ATOM 449 CG LYS A 28 0.065 -9.916 -13.354 1.00 0.00 C ATOM 450 CD LYS A 28 -0.124 -10.908 -14.576 1.00 0.00 C ATOM 451 CE LYS A 28 0.349 -10.291 -15.897 1.00 0.00 C ATOM 452 NZ LYS A 28 -0.366 -8.991 -16.090 1.00 0.00 N ATOM 0 H LYS A 28 0.877 -6.293 -13.082 1.00 0.00 H new ATOM 0 HA LYS A 28 0.804 -8.080 -11.659 1.00 0.00 H new ATOM 0 HB2 LYS A 28 2.152 -9.624 -13.965 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.982 -10.324 -12.367 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -0.391 -10.353 -12.466 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.468 -8.988 -13.562 1.00 0.00 H new ATOM 0 HD2 LYS A 28 0.431 -11.827 -14.386 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -1.175 -11.183 -14.660 1.00 0.00 H new ATOM 0 HE2 LYS A 28 1.427 -10.132 -15.878 1.00 0.00 H new ATOM 0 HE3 LYS A 28 0.141 -10.966 -16.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -0.997 -9.061 -16.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -0.927 -8.774 -15.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 0.328 -8.233 -16.249 1.00 0.00 H new ATOM 466 N SER A 29 3.187 -6.582 -11.692 1.00 0.00 N ATOM 467 CA SER A 29 4.372 -5.930 -11.081 1.00 0.00 C ATOM 468 C SER A 29 3.774 -4.565 -10.580 1.00 0.00 C ATOM 469 O SER A 29 2.565 -4.428 -10.487 1.00 0.00 O ATOM 470 CB SER A 29 5.444 -5.706 -12.169 1.00 0.00 C ATOM 471 OG SER A 29 4.874 -4.714 -13.035 1.00 0.00 O ATOM 0 H SER A 29 2.565 -5.910 -12.141 1.00 0.00 H new ATOM 0 HA SER A 29 4.854 -6.501 -10.287 1.00 0.00 H new ATOM 0 HB2 SER A 29 6.383 -5.362 -11.736 1.00 0.00 H new ATOM 0 HB3 SER A 29 5.660 -6.628 -12.709 1.00 0.00 H new ATOM 0 HG SER A 29 5.502 -4.513 -13.760 1.00 0.00 H new ATOM 477 N CYS A 30 4.563 -3.573 -10.285 1.00 0.00 N ATOM 478 CA CYS A 30 4.019 -2.260 -9.801 1.00 0.00 C ATOM 479 C CYS A 30 4.402 -1.003 -10.626 1.00 0.00 C ATOM 480 O CYS A 30 5.326 -0.982 -11.413 1.00 0.00 O ATOM 481 CB CYS A 30 4.488 -2.173 -8.337 1.00 0.00 C ATOM 482 SG CYS A 30 3.923 -3.497 -7.243 1.00 0.00 S ATOM 0 H CYS A 30 5.580 -3.610 -10.358 1.00 0.00 H new ATOM 0 HA CYS A 30 2.935 -2.251 -9.916 1.00 0.00 H new ATOM 0 HB2 CYS A 30 5.578 -2.160 -8.326 1.00 0.00 H new ATOM 0 HB3 CYS A 30 4.153 -1.221 -7.925 1.00 0.00 H new ATOM 487 N ALA A 31 3.647 0.034 -10.407 1.00 0.00 N ATOM 488 CA ALA A 31 3.827 1.351 -11.080 1.00 0.00 C ATOM 489 C ALA A 31 3.577 2.487 -10.049 1.00 0.00 C ATOM 490 O ALA A 31 3.247 2.236 -8.914 1.00 0.00 O ATOM 491 CB ALA A 31 2.840 1.370 -12.273 1.00 0.00 C ATOM 0 H ALA A 31 2.867 0.020 -9.750 1.00 0.00 H new ATOM 0 HA ALA A 31 4.837 1.506 -11.459 1.00 0.00 H new ATOM 0 HB1 ALA A 31 2.930 2.317 -12.804 1.00 0.00 H new ATOM 0 HB2 ALA A 31 3.074 0.550 -12.952 1.00 0.00 H new ATOM 0 HB3 ALA A 31 1.821 1.256 -11.904 1.00 0.00 H new ATOM 497 N ARG A 32 3.719 3.695 -10.487 1.00 0.00 N ATOM 498 CA ARG A 32 3.540 4.928 -9.649 1.00 0.00 C ATOM 499 C ARG A 32 2.167 5.672 -9.689 1.00 0.00 C ATOM 500 O ARG A 32 1.681 5.966 -10.763 1.00 0.00 O ATOM 501 CB ARG A 32 4.642 5.864 -10.103 1.00 0.00 C ATOM 502 CG ARG A 32 6.032 5.239 -9.933 1.00 0.00 C ATOM 503 CD ARG A 32 7.083 6.074 -10.674 1.00 0.00 C ATOM 504 NE ARG A 32 7.205 7.371 -9.920 1.00 0.00 N ATOM 505 CZ ARG A 32 7.051 8.490 -10.488 1.00 0.00 C ATOM 506 NH1 ARG A 32 5.899 8.791 -10.873 1.00 0.00 N ATOM 507 NH2 ARG A 32 8.053 9.224 -10.633 1.00 0.00 N ATOM 0 H ARG A 32 3.968 3.902 -11.454 1.00 0.00 H new ATOM 0 HA ARG A 32 3.578 4.607 -8.608 1.00 0.00 H new ATOM 0 HB2 ARG A 32 4.487 6.125 -11.150 1.00 0.00 H new ATOM 0 HB3 ARG A 32 4.589 6.791 -9.532 1.00 0.00 H new ATOM 0 HG2 ARG A 32 6.285 5.179 -8.874 1.00 0.00 H new ATOM 0 HG3 ARG A 32 6.030 4.219 -10.318 1.00 0.00 H new ATOM 0 HD2 ARG A 32 8.040 5.553 -10.707 1.00 0.00 H new ATOM 0 HD3 ARG A 32 6.781 6.252 -11.706 1.00 0.00 H new ATOM 0 HE ARG A 32 7.418 7.346 -8.923 1.00 0.00 H new ATOM 0 HH11 ARG A 32 5.126 8.143 -10.724 1.00 0.00 H new ATOM 0 HH12 ARG A 32 5.733 9.685 -11.336 1.00 0.00 H new ATOM 0 HH21 ARG A 32 8.965 8.915 -10.297 1.00 0.00 H new ATOM 0 HH22 ARG A 32 7.958 10.132 -11.088 1.00 0.00 H new ATOM 521 N PHE A 33 1.571 5.976 -8.564 1.00 0.00 N ATOM 522 CA PHE A 33 0.249 6.704 -8.593 1.00 0.00 C ATOM 523 C PHE A 33 0.020 7.666 -7.392 1.00 0.00 C ATOM 524 O PHE A 33 0.622 7.545 -6.341 1.00 0.00 O ATOM 525 CB PHE A 33 -0.886 5.624 -8.677 1.00 0.00 C ATOM 526 CG PHE A 33 -1.370 5.094 -7.315 1.00 0.00 C ATOM 527 CD1 PHE A 33 -0.528 4.446 -6.437 1.00 0.00 C ATOM 528 CD2 PHE A 33 -2.695 5.262 -6.963 1.00 0.00 C ATOM 529 CE1 PHE A 33 -1.007 3.973 -5.227 1.00 0.00 C ATOM 530 CE2 PHE A 33 -3.177 4.794 -5.760 1.00 0.00 C ATOM 531 CZ PHE A 33 -2.331 4.148 -4.890 1.00 0.00 C ATOM 0 H PHE A 33 1.930 5.759 -7.634 1.00 0.00 H new ATOM 0 HA PHE A 33 0.243 7.357 -9.466 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -1.736 6.051 -9.209 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -0.527 4.784 -9.272 1.00 0.00 H new ATOM 0 HD1 PHE A 33 0.512 4.306 -6.694 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -3.365 5.769 -7.642 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -0.341 3.465 -4.545 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -4.216 4.934 -5.501 1.00 0.00 H new ATOM 0 HZ PHE A 33 -2.703 3.779 -3.946 1.00 0.00 H new ATOM 541 N TRP A 34 -0.862 8.601 -7.572 1.00 0.00 N ATOM 542 CA TRP A 34 -1.180 9.596 -6.491 1.00 0.00 C ATOM 543 C TRP A 34 -2.213 9.062 -5.489 1.00 0.00 C ATOM 544 O TRP A 34 -3.355 9.475 -5.507 1.00 0.00 O ATOM 545 CB TRP A 34 -1.715 10.884 -7.164 1.00 0.00 C ATOM 546 CG TRP A 34 -0.597 11.838 -7.464 1.00 0.00 C ATOM 547 CD1 TRP A 34 -0.337 12.111 -8.734 1.00 0.00 C ATOM 548 CD2 TRP A 34 0.222 12.521 -6.619 1.00 0.00 C ATOM 549 NE1 TRP A 34 0.657 12.972 -8.665 1.00 0.00 N ATOM 550 CE2 TRP A 34 1.058 13.279 -7.448 1.00 0.00 C ATOM 551 CE3 TRP A 34 0.385 12.640 -5.215 1.00 0.00 C ATOM 552 CZ2 TRP A 34 2.022 14.126 -6.942 1.00 0.00 C ATOM 553 CZ3 TRP A 34 1.364 13.508 -4.722 1.00 0.00 C ATOM 554 CH2 TRP A 34 2.178 14.244 -5.571 1.00 0.00 C ATOM 0 H TRP A 34 -1.391 8.729 -8.434 1.00 0.00 H new ATOM 0 HA TRP A 34 -0.270 9.797 -5.926 1.00 0.00 H new ATOM 0 HB2 TRP A 34 -2.236 10.627 -8.086 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -2.443 11.365 -6.510 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -0.824 11.721 -9.615 1.00 0.00 H new ATOM 0 HE1 TRP A 34 1.088 13.374 -9.498 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -0.236 12.071 -4.539 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 2.651 14.694 -7.611 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 1.490 13.608 -3.654 1.00 0.00 H new ATOM 0 HH2 TRP A 34 2.929 14.905 -5.165 1.00 0.00 H new ATOM 565 N TYR A 35 -1.775 8.153 -4.660 1.00 0.00 N ATOM 566 CA TYR A 35 -2.655 7.526 -3.608 1.00 0.00 C ATOM 567 C TYR A 35 -3.819 8.426 -3.119 1.00 0.00 C ATOM 568 O TYR A 35 -4.901 7.949 -2.861 1.00 0.00 O ATOM 569 CB TYR A 35 -1.712 7.089 -2.426 1.00 0.00 C ATOM 570 CG TYR A 35 -2.518 6.397 -1.297 1.00 0.00 C ATOM 571 CD1 TYR A 35 -3.685 5.734 -1.590 1.00 0.00 C ATOM 572 CD2 TYR A 35 -2.102 6.406 0.024 1.00 0.00 C ATOM 573 CE1 TYR A 35 -4.413 5.104 -0.623 1.00 0.00 C ATOM 574 CE2 TYR A 35 -2.848 5.760 1.007 1.00 0.00 C ATOM 575 CZ TYR A 35 -4.012 5.103 0.678 1.00 0.00 C ATOM 576 OH TYR A 35 -4.790 4.429 1.591 1.00 0.00 O ATOM 0 H TYR A 35 -0.817 7.803 -4.662 1.00 0.00 H new ATOM 0 HA TYR A 35 -3.169 6.671 -4.047 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -0.946 6.409 -2.800 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -1.196 7.962 -2.026 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -4.035 5.711 -2.611 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -1.191 6.919 0.294 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -5.326 4.596 -0.895 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -2.511 5.775 2.033 1.00 0.00 H new ATOM 0 HH TYR A 35 -5.250 3.688 1.145 1.00 0.00 H new ATOM 586 N GLY A 36 -3.521 9.700 -3.006 1.00 0.00 N ATOM 587 CA GLY A 36 -4.508 10.764 -2.556 1.00 0.00 C ATOM 588 C GLY A 36 -5.915 10.235 -2.300 1.00 0.00 C ATOM 589 O GLY A 36 -6.766 10.258 -3.151 1.00 0.00 O ATOM 0 H GLY A 36 -2.594 10.071 -3.215 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -4.134 11.229 -1.644 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -4.557 11.544 -3.315 1.00 0.00 H new ATOM 593 N GLY A 37 -6.115 9.778 -1.117 1.00 0.00 N ATOM 594 CA GLY A 37 -7.423 9.202 -0.656 1.00 0.00 C ATOM 595 C GLY A 37 -7.877 9.780 0.694 1.00 0.00 C ATOM 596 O GLY A 37 -7.802 10.954 0.974 1.00 0.00 O ATOM 0 H GLY A 37 -5.393 9.772 -0.396 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -8.188 9.398 -1.407 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -7.330 8.119 -0.571 1.00 0.00 H new ATOM 600 N CYS A 38 -8.349 8.873 1.492 1.00 0.00 N ATOM 601 CA CYS A 38 -8.847 9.123 2.887 1.00 0.00 C ATOM 602 C CYS A 38 -8.509 7.869 3.773 1.00 0.00 C ATOM 603 O CYS A 38 -8.450 7.927 4.982 1.00 0.00 O ATOM 604 CB CYS A 38 -10.378 9.396 2.846 1.00 0.00 C ATOM 605 SG CYS A 38 -10.804 10.927 3.721 1.00 0.00 S ATOM 0 H CYS A 38 -8.417 7.893 1.219 1.00 0.00 H new ATOM 0 HA CYS A 38 -8.362 9.997 3.321 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -10.709 9.464 1.810 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -10.910 8.558 3.296 1.00 0.00 H new ATOM 610 N GLY A 39 -8.285 6.752 3.112 1.00 0.00 N ATOM 611 CA GLY A 39 -7.945 5.431 3.780 1.00 0.00 C ATOM 612 C GLY A 39 -8.804 4.286 3.216 1.00 0.00 C ATOM 613 O GLY A 39 -9.959 4.185 3.566 1.00 0.00 O ATOM 0 H GLY A 39 -8.324 6.693 2.094 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -6.889 5.205 3.630 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -8.104 5.513 4.855 1.00 0.00 H new ATOM 617 N GLY A 40 -8.251 3.466 2.355 1.00 0.00 N ATOM 618 CA GLY A 40 -9.061 2.312 1.760 1.00 0.00 C ATOM 619 C GLY A 40 -8.570 0.855 1.907 1.00 0.00 C ATOM 620 O GLY A 40 -9.090 0.096 2.698 1.00 0.00 O ATOM 0 H GLY A 40 -7.286 3.530 2.030 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -10.059 2.361 2.195 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -9.168 2.510 0.693 1.00 0.00 H new ATOM 624 N ASN A 41 -7.582 0.481 1.145 1.00 0.00 N ATOM 625 CA ASN A 41 -7.027 -0.924 1.203 1.00 0.00 C ATOM 626 C ASN A 41 -5.503 -1.079 1.518 1.00 0.00 C ATOM 627 O ASN A 41 -4.867 -0.229 2.110 1.00 0.00 O ATOM 628 CB ASN A 41 -7.409 -1.582 -0.173 1.00 0.00 C ATOM 629 CG ASN A 41 -6.601 -1.038 -1.338 1.00 0.00 C ATOM 630 OD1 ASN A 41 -5.389 -0.980 -1.306 1.00 0.00 O ATOM 631 ND2 ASN A 41 -7.204 -0.632 -2.394 1.00 0.00 N ATOM 0 H ASN A 41 -7.120 1.090 0.470 1.00 0.00 H new ATOM 0 HA ASN A 41 -7.468 -1.423 2.066 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -7.260 -2.660 -0.107 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -8.469 -1.418 -0.366 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -6.666 -0.271 -3.182 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -8.222 -0.670 -2.447 1.00 0.00 H new ATOM 638 N GLU A 42 -4.945 -2.174 1.088 1.00 0.00 N ATOM 639 CA GLU A 42 -3.493 -2.521 1.292 1.00 0.00 C ATOM 640 C GLU A 42 -2.509 -1.803 0.318 1.00 0.00 C ATOM 641 O GLU A 42 -1.612 -1.102 0.715 1.00 0.00 O ATOM 642 CB GLU A 42 -3.388 -4.065 1.132 1.00 0.00 C ATOM 643 CG GLU A 42 -4.578 -4.811 1.859 1.00 0.00 C ATOM 644 CD GLU A 42 -4.616 -6.304 1.544 1.00 0.00 C ATOM 645 OE1 GLU A 42 -4.553 -6.606 0.365 1.00 0.00 O ATOM 646 OE2 GLU A 42 -4.717 -7.054 2.495 1.00 0.00 O ATOM 0 H GLU A 42 -5.460 -2.888 0.573 1.00 0.00 H new ATOM 0 HA GLU A 42 -3.189 -2.175 2.280 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.390 -4.322 0.073 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -2.438 -4.409 1.541 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -4.484 -4.673 2.936 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -5.523 -4.357 1.561 1.00 0.00 H new ATOM 653 N ASN A 43 -2.734 -2.000 -0.942 1.00 0.00 N ATOM 654 CA ASN A 43 -1.940 -1.443 -2.114 1.00 0.00 C ATOM 655 C ASN A 43 -1.353 0.025 -2.340 1.00 0.00 C ATOM 656 O ASN A 43 -1.948 0.840 -3.015 1.00 0.00 O ATOM 657 CB ASN A 43 -2.832 -1.903 -3.303 1.00 0.00 C ATOM 658 CG ASN A 43 -2.302 -1.508 -4.647 1.00 0.00 C ATOM 659 OD1 ASN A 43 -1.159 -1.733 -4.969 1.00 0.00 O ATOM 660 ND2 ASN A 43 -3.074 -0.926 -5.487 1.00 0.00 N ATOM 0 H ASN A 43 -3.512 -2.582 -1.254 1.00 0.00 H new ATOM 0 HA ASN A 43 -0.928 -1.801 -1.926 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -2.936 -2.988 -3.268 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -3.830 -1.483 -3.179 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -2.720 -0.662 -6.407 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -4.042 -0.726 -5.236 1.00 0.00 H new ATOM 667 N LYS A 44 -0.213 0.307 -1.764 1.00 0.00 N ATOM 668 CA LYS A 44 0.524 1.659 -1.883 1.00 0.00 C ATOM 669 C LYS A 44 1.897 1.719 -1.111 1.00 0.00 C ATOM 670 O LYS A 44 2.032 2.029 0.055 1.00 0.00 O ATOM 671 CB LYS A 44 -0.386 2.893 -1.393 1.00 0.00 C ATOM 672 CG LYS A 44 -0.749 2.968 0.119 1.00 0.00 C ATOM 673 CD LYS A 44 -1.680 1.832 0.498 1.00 0.00 C ATOM 674 CE LYS A 44 -2.989 1.946 -0.251 1.00 0.00 C ATOM 675 NZ LYS A 44 -3.827 0.816 0.190 1.00 0.00 N ATOM 0 H LYS A 44 0.283 -0.365 -1.179 1.00 0.00 H new ATOM 0 HA LYS A 44 0.734 1.746 -2.949 1.00 0.00 H new ATOM 0 HB2 LYS A 44 0.128 3.816 -1.661 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -1.316 2.870 -1.961 1.00 0.00 H new ATOM 0 HG2 LYS A 44 0.159 2.918 0.720 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -1.224 3.924 0.338 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -1.207 0.876 0.272 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -1.866 1.850 1.572 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -3.477 2.897 -0.036 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -2.824 1.909 -1.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -3.927 0.133 -0.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -3.380 0.349 1.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -4.766 1.167 0.465 1.00 0.00 H new ATOM 689 N PHE A 45 2.933 1.432 -1.839 1.00 0.00 N ATOM 690 CA PHE A 45 4.350 1.397 -1.334 1.00 0.00 C ATOM 691 C PHE A 45 5.281 2.620 -1.604 1.00 0.00 C ATOM 692 O PHE A 45 4.962 3.588 -2.278 1.00 0.00 O ATOM 693 CB PHE A 45 4.914 0.078 -1.948 1.00 0.00 C ATOM 694 CG PHE A 45 3.928 -1.073 -1.667 1.00 0.00 C ATOM 695 CD1 PHE A 45 3.956 -1.735 -0.462 1.00 0.00 C ATOM 696 CD2 PHE A 45 2.999 -1.459 -2.614 1.00 0.00 C ATOM 697 CE1 PHE A 45 3.074 -2.763 -0.205 1.00 0.00 C ATOM 698 CE2 PHE A 45 2.118 -2.486 -2.363 1.00 0.00 C ATOM 699 CZ PHE A 45 2.157 -3.135 -1.157 1.00 0.00 C ATOM 0 H PHE A 45 2.858 1.204 -2.830 1.00 0.00 H new ATOM 0 HA PHE A 45 4.330 1.443 -0.245 1.00 0.00 H new ATOM 0 HB2 PHE A 45 5.058 0.195 -3.022 1.00 0.00 H new ATOM 0 HB3 PHE A 45 5.889 -0.150 -1.518 1.00 0.00 H new ATOM 0 HD1 PHE A 45 4.676 -1.447 0.290 1.00 0.00 H new ATOM 0 HD2 PHE A 45 2.964 -0.948 -3.565 1.00 0.00 H new ATOM 0 HE1 PHE A 45 3.104 -3.276 0.745 1.00 0.00 H new ATOM 0 HE2 PHE A 45 1.399 -2.779 -3.114 1.00 0.00 H new ATOM 0 HZ PHE A 45 1.466 -3.940 -0.955 1.00 0.00 H new ATOM 709 N GLY A 46 6.453 2.536 -1.034 1.00 0.00 N ATOM 710 CA GLY A 46 7.514 3.614 -1.178 1.00 0.00 C ATOM 711 C GLY A 46 8.302 3.497 -2.490 1.00 0.00 C ATOM 712 O GLY A 46 8.656 4.483 -3.093 1.00 0.00 O ATOM 0 H GLY A 46 6.741 1.747 -0.455 1.00 0.00 H new ATOM 0 HA2 GLY A 46 7.039 4.594 -1.130 1.00 0.00 H new ATOM 0 HA3 GLY A 46 8.205 3.553 -0.337 1.00 0.00 H new ATOM 716 N SER A 47 8.550 2.293 -2.904 1.00 0.00 N ATOM 717 CA SER A 47 9.320 2.017 -4.181 1.00 0.00 C ATOM 718 C SER A 47 8.766 0.814 -4.947 1.00 0.00 C ATOM 719 O SER A 47 8.223 -0.074 -4.317 1.00 0.00 O ATOM 720 CB SER A 47 10.777 1.774 -3.832 1.00 0.00 C ATOM 721 OG SER A 47 11.209 3.028 -3.315 1.00 0.00 O ATOM 0 H SER A 47 8.250 1.453 -2.409 1.00 0.00 H new ATOM 0 HA SER A 47 9.218 2.886 -4.831 1.00 0.00 H new ATOM 0 HB2 SER A 47 10.886 0.978 -3.096 1.00 0.00 H new ATOM 0 HB3 SER A 47 11.356 1.480 -4.708 1.00 0.00 H new ATOM 0 HG SER A 47 12.152 2.968 -3.057 1.00 0.00 H new ATOM 727 N GLN A 48 8.902 0.761 -6.250 1.00 0.00 N ATOM 728 CA GLN A 48 8.360 -0.413 -7.025 1.00 0.00 C ATOM 729 C GLN A 48 8.732 -1.718 -6.334 1.00 0.00 C ATOM 730 O GLN A 48 7.921 -2.497 -5.896 1.00 0.00 O ATOM 731 CB GLN A 48 8.943 -0.397 -8.463 1.00 0.00 C ATOM 732 CG GLN A 48 8.111 -1.407 -9.344 1.00 0.00 C ATOM 733 CD GLN A 48 8.717 -1.582 -10.724 1.00 0.00 C ATOM 734 OE1 GLN A 48 9.025 -0.641 -11.418 1.00 0.00 O ATOM 735 NE2 GLN A 48 8.918 -2.760 -11.191 1.00 0.00 N ATOM 0 H GLN A 48 9.363 1.475 -6.814 1.00 0.00 H new ATOM 0 HA GLN A 48 7.274 -0.338 -7.071 1.00 0.00 H new ATOM 0 HB2 GLN A 48 8.890 0.607 -8.884 1.00 0.00 H new ATOM 0 HB3 GLN A 48 9.995 -0.682 -8.450 1.00 0.00 H new ATOM 0 HG2 GLN A 48 8.064 -2.374 -8.842 1.00 0.00 H new ATOM 0 HG3 GLN A 48 7.087 -1.047 -9.440 1.00 0.00 H new ATOM 0 HE21 GLN A 48 8.671 -3.578 -10.634 1.00 0.00 H new ATOM 0 HE22 GLN A 48 9.325 -2.878 -12.119 1.00 0.00 H new ATOM 744 N LYS A 49 10.012 -1.899 -6.248 1.00 0.00 N ATOM 745 CA LYS A 49 10.552 -3.129 -5.594 1.00 0.00 C ATOM 746 C LYS A 49 9.870 -3.497 -4.272 1.00 0.00 C ATOM 747 O LYS A 49 9.728 -4.662 -3.959 1.00 0.00 O ATOM 748 CB LYS A 49 12.108 -2.902 -5.412 1.00 0.00 C ATOM 749 CG LYS A 49 12.726 -3.840 -4.314 1.00 0.00 C ATOM 750 CD LYS A 49 12.588 -3.166 -2.882 1.00 0.00 C ATOM 751 CE LYS A 49 12.774 -4.190 -1.763 1.00 0.00 C ATOM 752 NZ LYS A 49 12.574 -3.478 -0.464 1.00 0.00 N ATOM 0 H LYS A 49 10.716 -1.251 -6.601 1.00 0.00 H new ATOM 0 HA LYS A 49 10.343 -3.988 -6.232 1.00 0.00 H new ATOM 0 HB2 LYS A 49 12.612 -3.079 -6.362 1.00 0.00 H new ATOM 0 HB3 LYS A 49 12.292 -1.862 -5.143 1.00 0.00 H new ATOM 0 HG2 LYS A 49 12.219 -4.805 -4.321 1.00 0.00 H new ATOM 0 HG3 LYS A 49 13.776 -4.030 -4.536 1.00 0.00 H new ATOM 0 HD2 LYS A 49 13.329 -2.373 -2.779 1.00 0.00 H new ATOM 0 HD3 LYS A 49 11.607 -2.699 -2.791 1.00 0.00 H new ATOM 0 HE2 LYS A 49 12.059 -5.006 -1.867 1.00 0.00 H new ATOM 0 HE3 LYS A 49 13.770 -4.631 -1.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 12.162 -4.133 0.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 13.490 -3.132 -0.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 11.931 -2.673 -0.605 1.00 0.00 H new ATOM 766 N GLU A 50 9.459 -2.522 -3.512 1.00 0.00 N ATOM 767 CA GLU A 50 8.806 -2.878 -2.240 1.00 0.00 C ATOM 768 C GLU A 50 7.450 -3.542 -2.508 1.00 0.00 C ATOM 769 O GLU A 50 7.135 -4.576 -1.942 1.00 0.00 O ATOM 770 CB GLU A 50 8.682 -1.617 -1.426 1.00 0.00 C ATOM 771 CG GLU A 50 8.584 -2.073 0.073 1.00 0.00 C ATOM 772 CD GLU A 50 9.873 -2.775 0.441 1.00 0.00 C ATOM 773 OE1 GLU A 50 10.847 -2.094 0.645 1.00 0.00 O ATOM 774 OE2 GLU A 50 9.873 -3.992 0.482 1.00 0.00 O ATOM 0 H GLU A 50 9.546 -1.526 -3.713 1.00 0.00 H new ATOM 0 HA GLU A 50 9.395 -3.605 -1.680 1.00 0.00 H new ATOM 0 HB2 GLU A 50 9.544 -0.968 -1.580 1.00 0.00 H new ATOM 0 HB3 GLU A 50 7.799 -1.049 -1.719 1.00 0.00 H new ATOM 0 HG2 GLU A 50 8.422 -1.212 0.722 1.00 0.00 H new ATOM 0 HG3 GLU A 50 7.734 -2.742 0.212 1.00 0.00 H new ATOM 781 N CYS A 51 6.745 -2.881 -3.384 1.00 0.00 N ATOM 782 CA CYS A 51 5.381 -3.306 -3.848 1.00 0.00 C ATOM 783 C CYS A 51 5.507 -4.706 -4.496 1.00 0.00 C ATOM 784 O CYS A 51 4.808 -5.657 -4.184 1.00 0.00 O ATOM 785 CB CYS A 51 4.919 -2.246 -4.846 1.00 0.00 C ATOM 786 SG CYS A 51 3.305 -2.479 -5.618 1.00 0.00 S ATOM 0 H CYS A 51 7.072 -2.020 -3.822 1.00 0.00 H new ATOM 0 HA CYS A 51 4.654 -3.383 -3.040 1.00 0.00 H new ATOM 0 HB2 CYS A 51 4.912 -1.283 -4.335 1.00 0.00 H new ATOM 0 HB3 CYS A 51 5.665 -2.181 -5.638 1.00 0.00 H new ATOM 791 N GLU A 52 6.438 -4.810 -5.407 1.00 0.00 N ATOM 792 CA GLU A 52 6.674 -6.106 -6.110 1.00 0.00 C ATOM 793 C GLU A 52 6.904 -7.118 -4.965 1.00 0.00 C ATOM 794 O GLU A 52 6.247 -8.132 -4.874 1.00 0.00 O ATOM 795 CB GLU A 52 7.898 -5.852 -7.037 1.00 0.00 C ATOM 796 CG GLU A 52 7.632 -6.446 -8.474 1.00 0.00 C ATOM 797 CD GLU A 52 7.915 -5.418 -9.561 1.00 0.00 C ATOM 798 OE1 GLU A 52 7.122 -4.510 -9.690 1.00 0.00 O ATOM 799 OE2 GLU A 52 8.908 -5.564 -10.233 1.00 0.00 O ATOM 0 H GLU A 52 7.050 -4.047 -5.697 1.00 0.00 H new ATOM 0 HA GLU A 52 5.875 -6.493 -6.743 1.00 0.00 H new ATOM 0 HB2 GLU A 52 8.092 -4.782 -7.109 1.00 0.00 H new ATOM 0 HB3 GLU A 52 8.789 -6.309 -6.607 1.00 0.00 H new ATOM 0 HG2 GLU A 52 8.260 -7.323 -8.629 1.00 0.00 H new ATOM 0 HG3 GLU A 52 6.596 -6.778 -8.546 1.00 0.00 H new ATOM 806 N LYS A 53 7.813 -6.804 -4.083 1.00 0.00 N ATOM 807 CA LYS A 53 8.118 -7.710 -2.926 1.00 0.00 C ATOM 808 C LYS A 53 6.889 -7.944 -1.967 1.00 0.00 C ATOM 809 O LYS A 53 7.059 -8.417 -0.866 1.00 0.00 O ATOM 810 CB LYS A 53 9.383 -7.023 -2.253 1.00 0.00 C ATOM 811 CG LYS A 53 10.189 -7.871 -1.190 1.00 0.00 C ATOM 812 CD LYS A 53 9.562 -8.080 0.249 1.00 0.00 C ATOM 813 CE LYS A 53 9.145 -6.802 1.006 1.00 0.00 C ATOM 814 NZ LYS A 53 8.105 -6.082 0.217 1.00 0.00 N ATOM 0 H LYS A 53 8.367 -5.948 -4.111 1.00 0.00 H new ATOM 0 HA LYS A 53 8.334 -8.735 -3.227 1.00 0.00 H new ATOM 0 HB2 LYS A 53 10.072 -6.734 -3.047 1.00 0.00 H new ATOM 0 HB3 LYS A 53 9.051 -6.104 -1.770 1.00 0.00 H new ATOM 0 HG2 LYS A 53 10.367 -8.857 -1.620 1.00 0.00 H new ATOM 0 HG3 LYS A 53 11.163 -7.399 -1.061 1.00 0.00 H new ATOM 0 HD2 LYS A 53 8.685 -8.720 0.150 1.00 0.00 H new ATOM 0 HD3 LYS A 53 10.284 -8.620 0.861 1.00 0.00 H new ATOM 0 HE2 LYS A 53 8.757 -7.059 1.992 1.00 0.00 H new ATOM 0 HE3 LYS A 53 10.011 -6.158 1.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 7.380 -5.706 0.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 8.546 -5.298 -0.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 7.663 -6.740 -0.456 1.00 0.00 H new ATOM 828 N VAL A 54 5.685 -7.594 -2.325 1.00 0.00 N ATOM 829 CA VAL A 54 4.495 -7.832 -1.443 1.00 0.00 C ATOM 830 C VAL A 54 3.599 -8.838 -2.206 1.00 0.00 C ATOM 831 O VAL A 54 3.018 -9.723 -1.615 1.00 0.00 O ATOM 832 CB VAL A 54 3.854 -6.464 -1.207 1.00 0.00 C ATOM 833 CG1 VAL A 54 2.480 -6.668 -0.547 1.00 0.00 C ATOM 834 CG2 VAL A 54 4.730 -5.756 -0.167 1.00 0.00 C ATOM 0 H VAL A 54 5.466 -7.142 -3.213 1.00 0.00 H new ATOM 0 HA VAL A 54 4.711 -8.259 -0.464 1.00 0.00 H new ATOM 0 HB VAL A 54 3.759 -5.910 -2.141 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.012 -5.699 -0.373 1.00 0.00 H new ATOM 0 HG12 VAL A 54 1.846 -7.264 -1.203 1.00 0.00 H new ATOM 0 HG13 VAL A 54 2.606 -7.185 0.404 1.00 0.00 H new ATOM 0 HG21 VAL A 54 4.319 -4.768 0.043 1.00 0.00 H new ATOM 0 HG22 VAL A 54 4.751 -6.343 0.751 1.00 0.00 H new ATOM 0 HG23 VAL A 54 5.743 -5.653 -0.555 1.00 0.00 H new ATOM 844 N CYS A 55 3.518 -8.652 -3.497 1.00 0.00 N ATOM 845 CA CYS A 55 2.699 -9.562 -4.376 1.00 0.00 C ATOM 846 C CYS A 55 3.594 -10.443 -5.298 1.00 0.00 C ATOM 847 O CYS A 55 3.373 -11.628 -5.446 1.00 0.00 O ATOM 848 CB CYS A 55 1.748 -8.732 -5.259 1.00 0.00 C ATOM 849 SG CYS A 55 0.970 -9.753 -6.534 1.00 0.00 S ATOM 0 H CYS A 55 3.990 -7.897 -3.995 1.00 0.00 H new ATOM 0 HA CYS A 55 2.131 -10.217 -3.716 1.00 0.00 H new ATOM 0 HB2 CYS A 55 0.978 -8.275 -4.637 1.00 0.00 H new ATOM 0 HB3 CYS A 55 2.302 -7.920 -5.729 1.00 0.00 H new ATOM 854 N ALA A 56 4.597 -9.858 -5.899 1.00 0.00 N ATOM 855 CA ALA A 56 5.518 -10.621 -6.811 1.00 0.00 C ATOM 856 C ALA A 56 6.480 -11.581 -6.013 1.00 0.00 C ATOM 857 O ALA A 56 7.473 -11.141 -5.468 1.00 0.00 O ATOM 858 CB ALA A 56 6.301 -9.560 -7.620 1.00 0.00 C ATOM 0 H ALA A 56 4.825 -8.869 -5.798 1.00 0.00 H new ATOM 0 HA ALA A 56 4.952 -11.276 -7.473 1.00 0.00 H new ATOM 0 HB1 ALA A 56 6.989 -10.058 -8.303 1.00 0.00 H new ATOM 0 HB2 ALA A 56 5.602 -8.949 -8.191 1.00 0.00 H new ATOM 0 HB3 ALA A 56 6.864 -8.924 -6.937 1.00 0.00 H new ATOM 864 N PRO A 57 6.174 -12.860 -5.959 1.00 0.00 N ATOM 865 CA PRO A 57 6.769 -13.790 -4.943 1.00 0.00 C ATOM 866 C PRO A 57 8.181 -14.363 -5.291 1.00 0.00 C ATOM 867 O PRO A 57 8.309 -15.520 -5.655 1.00 0.00 O ATOM 868 CB PRO A 57 5.658 -14.837 -4.825 1.00 0.00 C ATOM 869 CG PRO A 57 5.281 -15.021 -6.323 1.00 0.00 C ATOM 870 CD PRO A 57 5.213 -13.571 -6.860 1.00 0.00 C ATOM 0 HA PRO A 57 7.019 -13.298 -4.003 1.00 0.00 H new ATOM 0 HB2 PRO A 57 6.008 -15.763 -4.369 1.00 0.00 H new ATOM 0 HB3 PRO A 57 4.818 -14.484 -4.226 1.00 0.00 H new ATOM 0 HG2 PRO A 57 6.027 -15.611 -6.855 1.00 0.00 H new ATOM 0 HG3 PRO A 57 4.327 -15.536 -6.436 1.00 0.00 H new ATOM 0 HD2 PRO A 57 5.512 -13.509 -7.906 1.00 0.00 H new ATOM 0 HD3 PRO A 57 4.207 -13.157 -6.791 1.00 0.00 H new ATOM 878 N VAL A 58 9.163 -13.520 -5.170 1.00 0.00 N ATOM 879 CA VAL A 58 10.597 -13.879 -5.455 1.00 0.00 C ATOM 880 C VAL A 58 11.543 -13.511 -4.274 1.00 0.00 C ATOM 881 O VAL A 58 11.069 -12.895 -3.329 1.00 0.00 O ATOM 882 CB VAL A 58 11.044 -13.128 -6.773 1.00 0.00 C ATOM 883 CG1 VAL A 58 10.244 -13.668 -7.971 1.00 0.00 C ATOM 884 CG2 VAL A 58 10.721 -11.626 -6.651 1.00 0.00 C ATOM 885 OXT VAL A 58 12.707 -13.871 -4.382 1.00 0.00 O ATOM 0 H VAL A 58 9.034 -12.553 -4.873 1.00 0.00 H new ATOM 0 HA VAL A 58 10.668 -14.959 -5.585 1.00 0.00 H new ATOM 0 HB VAL A 58 12.113 -13.285 -6.914 1.00 0.00 H new ATOM 0 HG11 VAL A 58 10.553 -13.149 -8.878 1.00 0.00 H new ATOM 0 HG12 VAL A 58 10.431 -14.736 -8.082 1.00 0.00 H new ATOM 0 HG13 VAL A 58 9.180 -13.502 -7.803 1.00 0.00 H new ATOM 0 HG21 VAL A 58 11.031 -11.112 -7.561 1.00 0.00 H new ATOM 0 HG22 VAL A 58 9.649 -11.495 -6.507 1.00 0.00 H new ATOM 0 HG23 VAL A 58 11.255 -11.207 -5.798 1.00 0.00 H new TER 895 VAL A 58