USER MOD reduce.3.24.130724 H: found=0, std=0, add=582, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 579 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 37 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 40 ASN : amide:sc= 0.356 K(o=0.36,f=-0.54) USER MOD Set 1.3: A 42 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 12 MET CE :methyl -171:sc=-0.00655 (180deg=-0.0114) USER MOD Set 2.2: A 14 CYS SG : rot 180:sc= 0 USER MOD Set 3.1: A 3 SER OG : rot 156:sc= 1.06 USER MOD Set 3.2: A 47 TYR OH : rot 1:sc= 0.115 USER MOD Single : A 1 ASN : amide:sc= 0.728 K(o=0.73,f=-0.0043) USER MOD Single : A 1 ASN N :NH3+ -110:sc= 0.0079 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 26:sc= 0.784 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 HIS : no HD1:sc= -0.147 X(o=-0.15,f=-0.00064) USER MOD Single : A 15 LYS NZ :NH3+ 162:sc= 2.18 (180deg=1.41) USER MOD Single : A 16 SER OG : rot 180:sc= 0.0492 USER MOD Single : A 17 CYS SG : rot 160:sc= -0.571 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -0.0237 X(o=-0.024,f=-0.04) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 84:sc= 0.0365 USER MOD Single : A 26 SER OG : rot -46:sc= 0.0417 USER MOD Single : A 29 GLN : amide:sc= 0.676 K(o=0.68,f=0) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot -31:sc= 0.29 USER MOD Single : A 33 SER OG : rot 180:sc= 0.00927 USER MOD Single : A 48 ASN : amide:sc= -0.272 X(o=-0.27,f=-0.0089) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 55:sc= 1.24 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0.00396 USER MOD Single : A 59 LYS NZ :NH3+ 175:sc= 2.47 (180deg=2.31) USER MOD Single : A 65 SER OG : rot 115:sc= 1.37 USER MOD Single : A 69 TYR OH : rot 174:sc= -0.0431 USER MOD Single : A 72 SER OG : rot 68:sc= 0.0604 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 11:sc= 0.774 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 -13.873 -14.362 -4.917 1.00 0.00 N ATOM 2 CA ASN A 1 -13.036 -13.572 -5.826 1.00 0.00 C ATOM 3 C ASN A 1 -12.259 -12.458 -5.097 1.00 0.00 C ATOM 4 O ASN A 1 -12.738 -11.877 -4.118 1.00 0.00 O ATOM 5 CB ASN A 1 -13.908 -12.982 -6.954 1.00 0.00 C ATOM 6 CG ASN A 1 -14.674 -11.732 -6.524 1.00 0.00 C ATOM 7 OD1 ASN A 1 -15.804 -11.791 -6.058 1.00 0.00 O ATOM 8 ND2 ASN A 1 -14.062 -10.569 -6.649 1.00 0.00 N ATOM 0 H1 ASN A 1 -13.474 -15.317 -4.819 1.00 0.00 H new ATOM 0 H2 ASN A 1 -13.903 -13.902 -3.985 1.00 0.00 H new ATOM 0 H3 ASN A 1 -14.837 -14.428 -5.302 1.00 0.00 H new ATOM 0 HA ASN A 1 -12.289 -14.241 -6.253 1.00 0.00 H new ATOM 0 HB2 ASN A 1 -13.274 -12.738 -7.806 1.00 0.00 H new ATOM 0 HB3 ASN A 1 -14.617 -13.738 -7.291 1.00 0.00 H new ATOM 0 HD21 ASN A 1 -14.531 -9.712 -6.356 1.00 0.00 H new ATOM 0 HD22 ASN A 1 -13.120 -10.528 -7.038 1.00 0.00 H new ATOM 15 N ASP A 2 -11.092 -12.108 -5.633 1.00 0.00 N ATOM 16 CA ASP A 2 -10.274 -10.970 -5.240 1.00 0.00 C ATOM 17 C ASP A 2 -10.567 -9.682 -6.037 1.00 0.00 C ATOM 18 O ASP A 2 -11.315 -9.650 -7.014 1.00 0.00 O ATOM 19 CB ASP A 2 -8.792 -11.376 -5.351 1.00 0.00 C ATOM 20 CG ASP A 2 -8.376 -11.778 -6.775 1.00 0.00 C ATOM 21 OD1 ASP A 2 -8.896 -12.818 -7.243 1.00 0.00 O ATOM 22 OD2 ASP A 2 -7.527 -11.070 -7.361 1.00 0.00 O ATOM 0 H ASP A 2 -10.672 -12.641 -6.394 1.00 0.00 H new ATOM 0 HA ASP A 2 -10.526 -10.718 -4.210 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -8.169 -10.545 -5.019 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -8.599 -12.209 -4.675 1.00 0.00 H new ATOM 27 N SER A 3 -9.950 -8.603 -5.576 1.00 0.00 N ATOM 28 CA SER A 3 -9.823 -7.276 -6.173 1.00 0.00 C ATOM 29 C SER A 3 -8.393 -6.776 -5.904 1.00 0.00 C ATOM 30 O SER A 3 -7.612 -7.429 -5.205 1.00 0.00 O ATOM 31 CB SER A 3 -10.860 -6.314 -5.572 1.00 0.00 C ATOM 32 OG SER A 3 -10.876 -5.040 -6.203 1.00 0.00 O ATOM 0 H SER A 3 -9.473 -8.638 -4.675 1.00 0.00 H new ATOM 0 HA SER A 3 -10.008 -7.323 -7.246 1.00 0.00 H new ATOM 0 HB2 SER A 3 -11.850 -6.763 -5.650 1.00 0.00 H new ATOM 0 HB3 SER A 3 -10.652 -6.183 -4.510 1.00 0.00 H new ATOM 0 HG SER A 3 -11.751 -4.619 -6.069 1.00 0.00 H new ATOM 38 N THR A 4 -8.016 -5.617 -6.443 1.00 0.00 N ATOM 39 CA THR A 4 -6.623 -5.144 -6.451 1.00 0.00 C ATOM 40 C THR A 4 -6.556 -3.642 -6.658 1.00 0.00 C ATOM 41 O THR A 4 -7.479 -3.021 -7.185 1.00 0.00 O ATOM 42 CB THR A 4 -5.802 -5.943 -7.488 1.00 0.00 C ATOM 43 OG1 THR A 4 -5.429 -7.149 -6.880 1.00 0.00 O ATOM 44 CG2 THR A 4 -4.479 -5.338 -7.965 1.00 0.00 C ATOM 0 H THR A 4 -8.668 -4.973 -6.890 1.00 0.00 H new ATOM 0 HA THR A 4 -6.171 -5.328 -5.476 1.00 0.00 H new ATOM 0 HB THR A 4 -6.458 -5.999 -8.357 1.00 0.00 H new ATOM 0 HG1 THR A 4 -6.070 -7.371 -6.173 1.00 0.00 H new ATOM 0 HG21 THR A 4 -4.013 -6.007 -8.689 1.00 0.00 H new ATOM 0 HG22 THR A 4 -4.668 -4.372 -8.433 1.00 0.00 H new ATOM 0 HG23 THR A 4 -3.812 -5.204 -7.113 1.00 0.00 H new ATOM 52 N ALA A 5 -5.442 -3.065 -6.211 1.00 0.00 N ATOM 53 CA ALA A 5 -5.038 -1.694 -6.474 1.00 0.00 C ATOM 54 C ALA A 5 -3.506 -1.530 -6.368 1.00 0.00 C ATOM 55 O ALA A 5 -2.816 -2.373 -5.769 1.00 0.00 O ATOM 56 CB ALA A 5 -5.782 -0.765 -5.507 1.00 0.00 C ATOM 0 H ALA A 5 -4.770 -3.567 -5.630 1.00 0.00 H new ATOM 0 HA ALA A 5 -5.304 -1.425 -7.496 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -5.487 0.267 -5.695 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -6.857 -0.868 -5.658 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -5.532 -1.033 -4.480 1.00 0.00 H new ATOM 62 N THR A 6 -3.000 -0.417 -6.919 1.00 0.00 N ATOM 63 CA THR A 6 -1.585 -0.025 -6.888 1.00 0.00 C ATOM 64 C THR A 6 -1.443 1.375 -6.313 1.00 0.00 C ATOM 65 O THR A 6 -2.204 2.288 -6.638 1.00 0.00 O ATOM 66 CB THR A 6 -0.956 -0.060 -8.279 1.00 0.00 C ATOM 67 OG1 THR A 6 -1.138 -1.338 -8.837 1.00 0.00 O ATOM 68 CG2 THR A 6 0.546 0.213 -8.242 1.00 0.00 C ATOM 0 H THR A 6 -3.584 0.256 -7.414 1.00 0.00 H new ATOM 0 HA THR A 6 -1.063 -0.744 -6.257 1.00 0.00 H new ATOM 0 HB THR A 6 -1.442 0.716 -8.870 1.00 0.00 H new ATOM 0 HG1 THR A 6 -0.737 -1.365 -9.731 1.00 0.00 H new ATOM 0 HG21 THR A 6 0.947 0.177 -9.255 1.00 0.00 H new ATOM 0 HG22 THR A 6 0.726 1.200 -7.815 1.00 0.00 H new ATOM 0 HG23 THR A 6 1.038 -0.543 -7.630 1.00 0.00 H new ATOM 76 N PHE A 7 -0.412 1.536 -5.491 1.00 0.00 N ATOM 77 CA PHE A 7 -0.120 2.777 -4.783 1.00 0.00 C ATOM 78 C PHE A 7 1.376 3.066 -4.779 1.00 0.00 C ATOM 79 O PHE A 7 2.206 2.177 -4.579 1.00 0.00 O ATOM 80 CB PHE A 7 -0.622 2.724 -3.336 1.00 0.00 C ATOM 81 CG PHE A 7 -2.031 2.165 -3.157 1.00 0.00 C ATOM 82 CD1 PHE A 7 -2.289 0.773 -3.146 1.00 0.00 C ATOM 83 CD2 PHE A 7 -3.116 3.063 -3.082 1.00 0.00 C ATOM 84 CE1 PHE A 7 -3.606 0.301 -3.115 1.00 0.00 C ATOM 85 CE2 PHE A 7 -4.433 2.579 -3.055 1.00 0.00 C ATOM 86 CZ PHE A 7 -4.679 1.201 -3.080 1.00 0.00 C ATOM 0 H PHE A 7 0.258 0.792 -5.294 1.00 0.00 H new ATOM 0 HA PHE A 7 -0.641 3.575 -5.312 1.00 0.00 H new ATOM 0 HB2 PHE A 7 0.069 2.118 -2.750 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -0.593 3.731 -2.921 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -1.467 0.073 -3.162 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -2.933 4.127 -3.045 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -3.796 -0.762 -3.118 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -5.260 3.272 -3.015 1.00 0.00 H new ATOM 0 HZ PHE A 7 -5.694 0.832 -3.072 1.00 0.00 H new ATOM 96 N ILE A 8 1.721 4.334 -4.942 1.00 0.00 N ATOM 97 CA ILE A 8 3.075 4.835 -4.842 1.00 0.00 C ATOM 98 C ILE A 8 3.145 5.872 -3.747 1.00 0.00 C ATOM 99 O ILE A 8 2.229 6.661 -3.556 1.00 0.00 O ATOM 100 CB ILE A 8 3.517 5.365 -6.220 1.00 0.00 C ATOM 101 CG1 ILE A 8 5.050 5.395 -6.298 1.00 0.00 C ATOM 102 CG2 ILE A 8 2.933 6.752 -6.534 1.00 0.00 C ATOM 103 CD1 ILE A 8 5.585 5.250 -7.720 1.00 0.00 C ATOM 0 H ILE A 8 1.040 5.063 -5.154 1.00 0.00 H new ATOM 0 HA ILE A 8 3.772 4.043 -4.567 1.00 0.00 H new ATOM 0 HB ILE A 8 3.125 4.683 -6.974 1.00 0.00 H new ATOM 0 HG12 ILE A 8 5.410 6.333 -5.876 1.00 0.00 H new ATOM 0 HG13 ILE A 8 5.454 4.592 -5.682 1.00 0.00 H new ATOM 0 HG21 ILE A 8 3.276 7.077 -7.516 1.00 0.00 H new ATOM 0 HG22 ILE A 8 1.844 6.698 -6.530 1.00 0.00 H new ATOM 0 HG23 ILE A 8 3.264 7.465 -5.779 1.00 0.00 H new ATOM 0 HD11 ILE A 8 6.674 5.279 -7.704 1.00 0.00 H new ATOM 0 HD12 ILE A 8 5.254 4.299 -8.138 1.00 0.00 H new ATOM 0 HD13 ILE A 8 5.209 6.068 -8.335 1.00 0.00 H new ATOM 115 N ILE A 9 4.245 5.833 -3.022 1.00 0.00 N ATOM 116 CA ILE A 9 4.584 6.768 -1.969 1.00 0.00 C ATOM 117 C ILE A 9 5.648 7.721 -2.520 1.00 0.00 C ATOM 118 O ILE A 9 6.262 7.450 -3.544 1.00 0.00 O ATOM 119 CB ILE A 9 5.096 5.961 -0.752 1.00 0.00 C ATOM 120 CG1 ILE A 9 4.217 4.726 -0.411 1.00 0.00 C ATOM 121 CG2 ILE A 9 5.182 6.853 0.495 1.00 0.00 C ATOM 122 CD1 ILE A 9 4.587 3.420 -1.106 1.00 0.00 C ATOM 0 H ILE A 9 4.958 5.117 -3.157 1.00 0.00 H new ATOM 0 HA ILE A 9 3.727 7.358 -1.644 1.00 0.00 H new ATOM 0 HB ILE A 9 6.083 5.600 -1.040 1.00 0.00 H new ATOM 0 HG12 ILE A 9 4.258 4.564 0.666 1.00 0.00 H new ATOM 0 HG13 ILE A 9 3.182 4.964 -0.658 1.00 0.00 H new ATOM 0 HG21 ILE A 9 5.544 6.265 1.339 1.00 0.00 H new ATOM 0 HG22 ILE A 9 5.869 7.678 0.306 1.00 0.00 H new ATOM 0 HG23 ILE A 9 4.194 7.250 0.727 1.00 0.00 H new ATOM 0 HD11 ILE A 9 3.903 2.633 -0.789 1.00 0.00 H new ATOM 0 HD12 ILE A 9 4.515 3.549 -2.186 1.00 0.00 H new ATOM 0 HD13 ILE A 9 5.607 3.143 -0.841 1.00 0.00 H new ATOM 134 N ASP A 10 5.880 8.830 -1.840 1.00 0.00 N ATOM 135 CA ASP A 10 7.020 9.719 -2.074 1.00 0.00 C ATOM 136 C ASP A 10 7.428 10.342 -0.734 1.00 0.00 C ATOM 137 O ASP A 10 6.558 10.683 0.067 1.00 0.00 O ATOM 138 CB ASP A 10 6.643 10.798 -3.106 1.00 0.00 C ATOM 139 CG ASP A 10 7.674 11.072 -4.204 1.00 0.00 C ATOM 140 OD1 ASP A 10 8.512 10.191 -4.513 1.00 0.00 O ATOM 141 OD2 ASP A 10 7.569 12.174 -4.789 1.00 0.00 O ATOM 0 H ASP A 10 5.269 9.151 -1.089 1.00 0.00 H new ATOM 0 HA ASP A 10 7.864 9.161 -2.480 1.00 0.00 H new ATOM 0 HB2 ASP A 10 5.706 10.506 -3.581 1.00 0.00 H new ATOM 0 HB3 ASP A 10 6.453 11.730 -2.574 1.00 0.00 H new ATOM 146 N GLY A 11 8.736 10.427 -0.470 1.00 0.00 N ATOM 147 CA GLY A 11 9.296 10.924 0.802 1.00 0.00 C ATOM 148 C GLY A 11 9.562 9.801 1.809 1.00 0.00 C ATOM 149 O GLY A 11 10.035 10.033 2.914 1.00 0.00 O ATOM 0 H GLY A 11 9.451 10.149 -1.142 1.00 0.00 H new ATOM 0 HA2 GLY A 11 10.227 11.455 0.602 1.00 0.00 H new ATOM 0 HA3 GLY A 11 8.606 11.645 1.241 1.00 0.00 H new ATOM 153 N MET A 12 9.258 8.567 1.414 1.00 0.00 N ATOM 154 CA MET A 12 9.411 7.333 2.174 1.00 0.00 C ATOM 155 C MET A 12 10.855 7.004 2.564 1.00 0.00 C ATOM 156 O MET A 12 11.821 7.411 1.931 1.00 0.00 O ATOM 157 CB MET A 12 8.778 6.181 1.367 1.00 0.00 C ATOM 158 CG MET A 12 9.510 5.761 0.087 1.00 0.00 C ATOM 159 SD MET A 12 9.843 7.058 -1.141 1.00 0.00 S ATOM 160 CE MET A 12 11.596 6.744 -1.450 1.00 0.00 C ATOM 0 H MET A 12 8.870 8.393 0.487 1.00 0.00 H new ATOM 0 HA MET A 12 8.896 7.471 3.125 1.00 0.00 H new ATOM 0 HB2 MET A 12 8.701 5.310 2.018 1.00 0.00 H new ATOM 0 HB3 MET A 12 7.761 6.470 1.100 1.00 0.00 H new ATOM 0 HG2 MET A 12 10.462 5.314 0.373 1.00 0.00 H new ATOM 0 HG3 MET A 12 8.924 4.980 -0.397 1.00 0.00 H new ATOM 0 HE1 MET A 12 12.008 7.548 -2.060 1.00 0.00 H new ATOM 0 HE2 MET A 12 12.130 6.699 -0.501 1.00 0.00 H new ATOM 0 HE3 MET A 12 11.709 5.796 -1.975 1.00 0.00 H new ATOM 170 N HIS A 13 10.997 6.125 3.559 1.00 0.00 N ATOM 171 CA HIS A 13 12.270 5.562 4.048 1.00 0.00 C ATOM 172 C HIS A 13 12.990 4.587 3.063 1.00 0.00 C ATOM 173 O HIS A 13 13.493 3.545 3.485 1.00 0.00 O ATOM 174 CB HIS A 13 12.042 4.905 5.425 1.00 0.00 C ATOM 175 CG HIS A 13 11.480 5.768 6.531 1.00 0.00 C ATOM 176 ND1 HIS A 13 11.162 5.329 7.799 1.00 0.00 N ATOM 177 CD2 HIS A 13 11.232 7.115 6.506 1.00 0.00 C ATOM 178 CE1 HIS A 13 10.732 6.381 8.513 1.00 0.00 C ATOM 179 NE2 HIS A 13 10.759 7.489 7.763 1.00 0.00 N ATOM 0 H HIS A 13 10.193 5.766 4.074 1.00 0.00 H new ATOM 0 HA HIS A 13 12.960 6.401 4.135 1.00 0.00 H new ATOM 0 HB2 HIS A 13 11.369 4.059 5.285 1.00 0.00 H new ATOM 0 HB3 HIS A 13 12.995 4.502 5.766 1.00 0.00 H new ATOM 0 HD2 HIS A 13 11.377 7.772 5.661 1.00 0.00 H new ATOM 0 HE1 HIS A 13 10.411 6.339 9.543 1.00 0.00 H new ATOM 0 HE2 HIS A 13 10.486 8.427 8.055 1.00 0.00 H new ATOM 187 N CYS A 14 12.975 4.880 1.757 1.00 0.00 N ATOM 188 CA CYS A 14 13.754 4.310 0.632 1.00 0.00 C ATOM 189 C CYS A 14 13.763 2.781 0.418 1.00 0.00 C ATOM 190 O CYS A 14 13.391 2.301 -0.649 1.00 0.00 O ATOM 191 CB CYS A 14 15.178 4.880 0.713 1.00 0.00 C ATOM 192 SG CYS A 14 15.121 6.670 0.394 1.00 0.00 S ATOM 0 H CYS A 14 12.345 5.606 1.415 1.00 0.00 H new ATOM 0 HA CYS A 14 13.213 4.622 -0.262 1.00 0.00 H new ATOM 0 HB2 CYS A 14 15.605 4.687 1.697 1.00 0.00 H new ATOM 0 HB3 CYS A 14 15.822 4.388 -0.016 1.00 0.00 H new ATOM 0 HG CYS A 14 16.323 7.162 0.463 1.00 0.00 H new ATOM 198 N LYS A 15 14.248 2.007 1.385 1.00 0.00 N ATOM 199 CA LYS A 15 14.288 0.537 1.366 1.00 0.00 C ATOM 200 C LYS A 15 13.609 -0.008 2.628 1.00 0.00 C ATOM 201 O LYS A 15 12.655 -0.766 2.520 1.00 0.00 O ATOM 202 CB LYS A 15 15.756 0.076 1.242 1.00 0.00 C ATOM 203 CG LYS A 15 16.493 0.511 -0.045 1.00 0.00 C ATOM 204 CD LYS A 15 16.434 -0.481 -1.221 1.00 0.00 C ATOM 205 CE LYS A 15 15.041 -0.755 -1.801 1.00 0.00 C ATOM 206 NZ LYS A 15 14.429 0.417 -2.482 1.00 0.00 N ATOM 0 H LYS A 15 14.642 2.397 2.241 1.00 0.00 H new ATOM 0 HA LYS A 15 13.742 0.145 0.508 1.00 0.00 H new ATOM 0 HB2 LYS A 15 16.310 0.456 2.101 1.00 0.00 H new ATOM 0 HB3 LYS A 15 15.781 -1.012 1.302 1.00 0.00 H new ATOM 0 HG2 LYS A 15 16.076 1.462 -0.376 1.00 0.00 H new ATOM 0 HG3 LYS A 15 17.539 0.691 0.202 1.00 0.00 H new ATOM 0 HD2 LYS A 15 17.071 -0.104 -2.021 1.00 0.00 H new ATOM 0 HD3 LYS A 15 16.862 -1.428 -0.893 1.00 0.00 H new ATOM 0 HE2 LYS A 15 15.110 -1.580 -2.510 1.00 0.00 H new ATOM 0 HE3 LYS A 15 14.381 -1.081 -0.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 13.656 0.095 -3.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 14.053 1.075 -1.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 15.150 0.901 -3.054 1.00 0.00 H new ATOM 220 N SER A 16 13.955 0.473 3.821 1.00 0.00 N ATOM 221 CA SER A 16 13.256 0.137 5.072 1.00 0.00 C ATOM 222 C SER A 16 11.753 0.445 5.022 1.00 0.00 C ATOM 223 O SER A 16 10.988 -0.255 5.677 1.00 0.00 O ATOM 224 CB SER A 16 13.886 0.913 6.239 1.00 0.00 C ATOM 225 OG SER A 16 15.296 1.021 6.091 1.00 0.00 O ATOM 0 H SER A 16 14.737 1.115 3.953 1.00 0.00 H new ATOM 0 HA SER A 16 13.364 -0.938 5.214 1.00 0.00 H new ATOM 0 HB2 SER A 16 13.447 1.909 6.294 1.00 0.00 H new ATOM 0 HB3 SER A 16 13.655 0.411 7.178 1.00 0.00 H new ATOM 0 HG SER A 16 15.667 1.521 6.848 1.00 0.00 H new ATOM 231 N CYS A 17 11.302 1.418 4.207 1.00 0.00 N ATOM 232 CA CYS A 17 9.886 1.670 3.958 1.00 0.00 C ATOM 233 C CYS A 17 9.139 0.383 3.588 1.00 0.00 C ATOM 234 O CYS A 17 8.138 0.079 4.226 1.00 0.00 O ATOM 235 CB CYS A 17 9.788 2.789 2.902 1.00 0.00 C ATOM 236 SG CYS A 17 10.550 2.347 1.316 1.00 0.00 S ATOM 0 H CYS A 17 11.922 2.052 3.703 1.00 0.00 H new ATOM 0 HA CYS A 17 9.384 2.013 4.863 1.00 0.00 H new ATOM 0 HB2 CYS A 17 8.738 3.033 2.738 1.00 0.00 H new ATOM 0 HB3 CYS A 17 10.267 3.688 3.290 1.00 0.00 H new ATOM 0 HG CYS A 17 10.077 3.114 0.379 1.00 0.00 H new ATOM 242 N VAL A 18 9.673 -0.388 2.640 1.00 0.00 N ATOM 243 CA VAL A 18 9.072 -1.576 2.023 1.00 0.00 C ATOM 244 C VAL A 18 8.616 -2.592 3.066 1.00 0.00 C ATOM 245 O VAL A 18 7.484 -3.065 3.012 1.00 0.00 O ATOM 246 CB VAL A 18 10.113 -2.233 1.075 1.00 0.00 C ATOM 247 CG1 VAL A 18 9.738 -3.659 0.640 1.00 0.00 C ATOM 248 CG2 VAL A 18 10.427 -1.295 -0.106 1.00 0.00 C ATOM 0 H VAL A 18 10.597 -0.188 2.256 1.00 0.00 H new ATOM 0 HA VAL A 18 8.190 -1.261 1.465 1.00 0.00 H new ATOM 0 HB VAL A 18 11.033 -2.368 1.644 1.00 0.00 H new ATOM 0 HG11 VAL A 18 10.511 -4.053 -0.020 1.00 0.00 H new ATOM 0 HG12 VAL A 18 9.652 -4.297 1.520 1.00 0.00 H new ATOM 0 HG13 VAL A 18 8.785 -3.639 0.112 1.00 0.00 H new ATOM 0 HG21 VAL A 18 11.158 -1.768 -0.762 1.00 0.00 H new ATOM 0 HG22 VAL A 18 9.513 -1.095 -0.665 1.00 0.00 H new ATOM 0 HG23 VAL A 18 10.833 -0.357 0.272 1.00 0.00 H new ATOM 258 N SER A 19 9.484 -2.870 4.038 1.00 0.00 N ATOM 259 CA SER A 19 9.234 -3.882 5.072 1.00 0.00 C ATOM 260 C SER A 19 8.018 -3.514 5.925 1.00 0.00 C ATOM 261 O SER A 19 7.150 -4.350 6.168 1.00 0.00 O ATOM 262 CB SER A 19 10.493 -3.967 5.953 1.00 0.00 C ATOM 263 OG SER A 19 10.478 -5.111 6.786 1.00 0.00 O ATOM 0 H SER A 19 10.384 -2.400 4.134 1.00 0.00 H new ATOM 0 HA SER A 19 9.021 -4.843 4.604 1.00 0.00 H new ATOM 0 HB2 SER A 19 11.379 -3.991 5.319 1.00 0.00 H new ATOM 0 HB3 SER A 19 10.566 -3.071 6.569 1.00 0.00 H new ATOM 0 HG SER A 19 11.294 -5.131 7.329 1.00 0.00 H new ATOM 269 N ASN A 20 7.899 -2.239 6.307 1.00 0.00 N ATOM 270 CA ASN A 20 6.710 -1.745 6.997 1.00 0.00 C ATOM 271 C ASN A 20 5.463 -1.850 6.123 1.00 0.00 C ATOM 272 O ASN A 20 4.410 -2.222 6.619 1.00 0.00 O ATOM 273 CB ASN A 20 6.881 -0.271 7.339 1.00 0.00 C ATOM 274 CG ASN A 20 8.099 0.030 8.186 1.00 0.00 C ATOM 275 OD1 ASN A 20 8.477 -0.692 9.093 1.00 0.00 O ATOM 276 ND2 ASN A 20 8.774 1.117 7.866 1.00 0.00 N ATOM 0 H ASN A 20 8.615 -1.531 6.148 1.00 0.00 H new ATOM 0 HA ASN A 20 6.591 -2.357 7.891 1.00 0.00 H new ATOM 0 HB2 ASN A 20 6.945 0.301 6.413 1.00 0.00 H new ATOM 0 HB3 ASN A 20 5.991 0.074 7.866 1.00 0.00 H new ATOM 0 HD21 ASN A 20 9.621 1.361 8.379 1.00 0.00 H new ATOM 0 HD22 ASN A 20 8.449 1.714 7.105 1.00 0.00 H new ATOM 283 N ILE A 21 5.555 -1.493 4.835 1.00 0.00 N ATOM 284 CA ILE A 21 4.366 -1.401 3.972 1.00 0.00 C ATOM 285 C ILE A 21 3.767 -2.791 3.779 1.00 0.00 C ATOM 286 O ILE A 21 2.571 -2.961 3.988 1.00 0.00 O ATOM 287 CB ILE A 21 4.664 -0.709 2.621 1.00 0.00 C ATOM 288 CG1 ILE A 21 5.606 0.517 2.769 1.00 0.00 C ATOM 289 CG2 ILE A 21 3.316 -0.414 1.938 1.00 0.00 C ATOM 290 CD1 ILE A 21 5.348 1.724 1.868 1.00 0.00 C ATOM 0 H ILE A 21 6.433 -1.264 4.369 1.00 0.00 H new ATOM 0 HA ILE A 21 3.633 -0.767 4.471 1.00 0.00 H new ATOM 0 HB ILE A 21 5.236 -1.370 1.970 1.00 0.00 H new ATOM 0 HG12 ILE A 21 5.557 0.855 3.804 1.00 0.00 H new ATOM 0 HG13 ILE A 21 6.627 0.179 2.592 1.00 0.00 H new ATOM 0 HG21 ILE A 21 3.493 0.075 0.980 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.779 -1.348 1.774 1.00 0.00 H new ATOM 0 HG23 ILE A 21 2.721 0.240 2.575 1.00 0.00 H new ATOM 0 HD11 ILE A 21 6.081 2.501 2.082 1.00 0.00 H new ATOM 0 HD12 ILE A 21 5.432 1.423 0.824 1.00 0.00 H new ATOM 0 HD13 ILE A 21 4.346 2.110 2.055 1.00 0.00 H new ATOM 302 N GLU A 22 4.622 -3.773 3.504 1.00 0.00 N ATOM 303 CA GLU A 22 4.295 -5.195 3.484 1.00 0.00 C ATOM 304 C GLU A 22 3.587 -5.611 4.786 1.00 0.00 C ATOM 305 O GLU A 22 2.489 -6.162 4.749 1.00 0.00 O ATOM 306 CB GLU A 22 5.614 -5.953 3.217 1.00 0.00 C ATOM 307 CG GLU A 22 6.032 -5.813 1.734 1.00 0.00 C ATOM 308 CD GLU A 22 6.047 -7.109 0.918 1.00 0.00 C ATOM 309 OE1 GLU A 22 6.357 -8.172 1.493 1.00 0.00 O ATOM 310 OE2 GLU A 22 5.769 -7.007 -0.302 1.00 0.00 O ATOM 0 H GLU A 22 5.600 -3.592 3.280 1.00 0.00 H new ATOM 0 HA GLU A 22 3.584 -5.440 2.695 1.00 0.00 H new ATOM 0 HB2 GLU A 22 6.401 -5.561 3.861 1.00 0.00 H new ATOM 0 HB3 GLU A 22 5.491 -7.007 3.468 1.00 0.00 H new ATOM 0 HG2 GLU A 22 5.354 -5.110 1.250 1.00 0.00 H new ATOM 0 HG3 GLU A 22 7.028 -5.372 1.697 1.00 0.00 H new ATOM 317 N SER A 23 4.140 -5.278 5.953 1.00 0.00 N ATOM 318 CA SER A 23 3.566 -5.706 7.235 1.00 0.00 C ATOM 319 C SER A 23 2.313 -4.959 7.718 1.00 0.00 C ATOM 320 O SER A 23 1.522 -5.542 8.463 1.00 0.00 O ATOM 321 CB SER A 23 4.638 -5.556 8.313 1.00 0.00 C ATOM 322 OG SER A 23 4.214 -6.121 9.548 1.00 0.00 O ATOM 0 H SER A 23 4.985 -4.713 6.040 1.00 0.00 H new ATOM 0 HA SER A 23 3.241 -6.732 7.063 1.00 0.00 H new ATOM 0 HB2 SER A 23 5.557 -6.042 7.985 1.00 0.00 H new ATOM 0 HB3 SER A 23 4.869 -4.500 8.454 1.00 0.00 H new ATOM 0 HG SER A 23 4.921 -6.011 10.218 1.00 0.00 H new ATOM 328 N THR A 24 2.169 -3.669 7.396 1.00 0.00 N ATOM 329 CA THR A 24 1.049 -2.813 7.802 1.00 0.00 C ATOM 330 C THR A 24 -0.151 -3.067 6.920 1.00 0.00 C ATOM 331 O THR A 24 -1.272 -3.138 7.414 1.00 0.00 O ATOM 332 CB THR A 24 1.476 -1.332 7.797 1.00 0.00 C ATOM 333 OG1 THR A 24 2.431 -1.181 8.817 1.00 0.00 O ATOM 334 CG2 THR A 24 0.328 -0.371 8.111 1.00 0.00 C ATOM 0 H THR A 24 2.854 -3.174 6.825 1.00 0.00 H new ATOM 0 HA THR A 24 0.758 -3.060 8.823 1.00 0.00 H new ATOM 0 HB THR A 24 1.847 -1.092 6.801 1.00 0.00 H new ATOM 0 HG1 THR A 24 3.316 -1.430 8.476 1.00 0.00 H new ATOM 0 HG21 THR A 24 0.696 0.655 8.091 1.00 0.00 H new ATOM 0 HG22 THR A 24 -0.459 -0.488 7.366 1.00 0.00 H new ATOM 0 HG23 THR A 24 -0.073 -0.594 9.100 1.00 0.00 H new ATOM 342 N LEU A 25 0.082 -3.223 5.621 1.00 0.00 N ATOM 343 CA LEU A 25 -0.977 -3.560 4.684 1.00 0.00 C ATOM 344 C LEU A 25 -1.384 -5.014 4.814 1.00 0.00 C ATOM 345 O LEU A 25 -2.581 -5.249 4.870 1.00 0.00 O ATOM 346 CB LEU A 25 -0.530 -3.271 3.260 1.00 0.00 C ATOM 347 CG LEU A 25 -0.462 -1.784 2.836 1.00 0.00 C ATOM 348 CD1 LEU A 25 -1.783 -1.403 2.157 1.00 0.00 C ATOM 349 CD2 LEU A 25 -0.167 -0.776 3.966 1.00 0.00 C ATOM 0 H LEU A 25 1.002 -3.120 5.194 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.843 -2.942 4.921 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.458 -3.710 3.119 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.208 -3.787 2.580 1.00 0.00 H new ATOM 0 HG LEU A 25 0.392 -1.714 2.162 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.748 -0.357 1.853 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -1.935 -2.031 1.279 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.607 -1.550 2.855 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.142 0.234 3.556 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.947 -0.841 4.724 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.798 -1.008 4.418 1.00 0.00 H new ATOM 361 N SER A 26 -0.466 -5.984 4.915 1.00 0.00 N ATOM 362 CA SER A 26 -0.855 -7.412 4.920 1.00 0.00 C ATOM 363 C SER A 26 -1.521 -7.858 6.247 1.00 0.00 C ATOM 364 O SER A 26 -1.633 -9.045 6.549 1.00 0.00 O ATOM 365 CB SER A 26 0.359 -8.264 4.543 1.00 0.00 C ATOM 366 OG SER A 26 0.003 -9.556 4.081 1.00 0.00 O ATOM 0 H SER A 26 0.537 -5.817 4.993 1.00 0.00 H new ATOM 0 HA SER A 26 -1.631 -7.561 4.169 1.00 0.00 H new ATOM 0 HB2 SER A 26 0.930 -7.751 3.769 1.00 0.00 H new ATOM 0 HB3 SER A 26 1.012 -8.361 5.410 1.00 0.00 H new ATOM 0 HG SER A 26 -0.672 -9.942 4.677 1.00 0.00 H new ATOM 372 N ALA A 27 -1.984 -6.893 7.050 1.00 0.00 N ATOM 373 CA ALA A 27 -2.699 -7.100 8.309 1.00 0.00 C ATOM 374 C ALA A 27 -4.181 -6.675 8.238 1.00 0.00 C ATOM 375 O ALA A 27 -4.905 -6.801 9.228 1.00 0.00 O ATOM 376 CB ALA A 27 -1.948 -6.306 9.389 1.00 0.00 C ATOM 0 H ALA A 27 -1.864 -5.905 6.828 1.00 0.00 H new ATOM 0 HA ALA A 27 -2.719 -8.165 8.542 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -2.449 -6.433 10.348 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -0.924 -6.672 9.464 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -1.937 -5.249 9.122 1.00 0.00 H new ATOM 382 N LEU A 28 -4.649 -6.120 7.111 1.00 0.00 N ATOM 383 CA LEU A 28 -5.968 -5.488 7.049 1.00 0.00 C ATOM 384 C LEU A 28 -7.102 -6.526 7.013 1.00 0.00 C ATOM 385 O LEU A 28 -7.056 -7.483 6.240 1.00 0.00 O ATOM 386 CB LEU A 28 -6.030 -4.519 5.857 1.00 0.00 C ATOM 387 CG LEU A 28 -5.022 -3.354 5.935 1.00 0.00 C ATOM 388 CD1 LEU A 28 -4.793 -2.727 4.555 1.00 0.00 C ATOM 389 CD2 LEU A 28 -5.541 -2.271 6.879 1.00 0.00 C ATOM 0 H LEU A 28 -4.132 -6.098 6.232 1.00 0.00 H new ATOM 0 HA LEU A 28 -6.117 -4.912 7.963 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -5.851 -5.079 4.939 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -7.038 -4.109 5.789 1.00 0.00 H new ATOM 0 HG LEU A 28 -4.080 -3.759 6.306 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.078 -1.909 4.641 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.401 -3.481 3.873 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.737 -2.344 4.168 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.821 -1.454 6.926 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -6.495 -1.894 6.510 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -5.678 -2.692 7.875 1.00 0.00 H new ATOM 401 N GLN A 29 -8.157 -6.318 7.807 1.00 0.00 N ATOM 402 CA GLN A 29 -9.290 -7.245 7.954 1.00 0.00 C ATOM 403 C GLN A 29 -10.245 -7.194 6.736 1.00 0.00 C ATOM 404 O GLN A 29 -11.411 -6.821 6.851 1.00 0.00 O ATOM 405 CB GLN A 29 -9.989 -6.964 9.297 1.00 0.00 C ATOM 406 CG GLN A 29 -11.005 -8.061 9.680 1.00 0.00 C ATOM 407 CD GLN A 29 -12.350 -7.484 10.118 1.00 0.00 C ATOM 408 OE1 GLN A 29 -12.766 -7.599 11.259 1.00 0.00 O ATOM 409 NE2 GLN A 29 -13.068 -6.829 9.234 1.00 0.00 N ATOM 0 H GLN A 29 -8.252 -5.480 8.381 1.00 0.00 H new ATOM 0 HA GLN A 29 -8.925 -8.272 7.971 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -9.238 -6.880 10.082 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -10.501 -6.003 9.242 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -11.158 -8.724 8.828 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -10.593 -8.668 10.487 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -12.730 -6.727 8.277 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -13.964 -6.423 9.505 1.00 0.00 H new ATOM 418 N TYR A 30 -9.696 -7.575 5.579 1.00 0.00 N ATOM 419 CA TYR A 30 -10.235 -7.539 4.210 1.00 0.00 C ATOM 420 C TYR A 30 -9.193 -7.807 3.104 1.00 0.00 C ATOM 421 O TYR A 30 -9.591 -8.160 1.996 1.00 0.00 O ATOM 422 CB TYR A 30 -10.973 -6.223 3.896 1.00 0.00 C ATOM 423 CG TYR A 30 -10.296 -4.902 4.259 1.00 0.00 C ATOM 424 CD1 TYR A 30 -9.072 -4.507 3.676 1.00 0.00 C ATOM 425 CD2 TYR A 30 -10.958 -4.010 5.128 1.00 0.00 C ATOM 426 CE1 TYR A 30 -8.567 -3.217 3.911 1.00 0.00 C ATOM 427 CE2 TYR A 30 -10.445 -2.725 5.380 1.00 0.00 C ATOM 428 CZ TYR A 30 -9.255 -2.311 4.747 1.00 0.00 C ATOM 429 OH TYR A 30 -8.780 -1.050 4.949 1.00 0.00 O ATOM 0 H TYR A 30 -8.752 -7.962 5.576 1.00 0.00 H new ATOM 0 HA TYR A 30 -10.945 -8.366 4.198 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -11.180 -6.206 2.826 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -11.936 -6.253 4.406 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -8.524 -5.196 3.050 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -11.875 -4.319 5.608 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -7.640 -2.915 3.446 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -10.960 -2.058 6.055 1.00 0.00 H new ATOM 0 HH TYR A 30 -9.382 -0.566 5.552 1.00 0.00 H new ATOM 439 N VAL A 31 -7.888 -7.627 3.341 1.00 0.00 N ATOM 440 CA VAL A 31 -6.865 -7.792 2.285 1.00 0.00 C ATOM 441 C VAL A 31 -6.435 -9.262 2.217 1.00 0.00 C ATOM 442 O VAL A 31 -6.392 -9.946 3.235 1.00 0.00 O ATOM 443 CB VAL A 31 -5.691 -6.804 2.434 1.00 0.00 C ATOM 444 CG1 VAL A 31 -4.843 -7.182 3.600 1.00 0.00 C ATOM 445 CG2 VAL A 31 -4.735 -6.685 1.239 1.00 0.00 C ATOM 0 H VAL A 31 -7.509 -7.367 4.252 1.00 0.00 H new ATOM 0 HA VAL A 31 -7.306 -7.533 1.322 1.00 0.00 H new ATOM 0 HB VAL A 31 -6.196 -5.844 2.543 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -4.018 -6.476 3.694 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.444 -7.160 4.509 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -4.446 -8.186 3.451 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -3.954 -5.960 1.469 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -4.281 -7.655 1.038 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -5.290 -6.355 0.361 1.00 0.00 H new ATOM 455 N SER A 32 -6.158 -9.760 1.013 1.00 0.00 N ATOM 456 CA SER A 32 -5.815 -11.168 0.771 1.00 0.00 C ATOM 457 C SER A 32 -4.384 -11.372 0.249 1.00 0.00 C ATOM 458 O SER A 32 -3.915 -12.504 0.225 1.00 0.00 O ATOM 459 CB SER A 32 -6.818 -11.778 -0.212 1.00 0.00 C ATOM 460 OG SER A 32 -6.687 -13.185 -0.199 1.00 0.00 O ATOM 0 H SER A 32 -6.164 -9.193 0.165 1.00 0.00 H new ATOM 0 HA SER A 32 -5.865 -11.673 1.736 1.00 0.00 H new ATOM 0 HB2 SER A 32 -7.834 -11.493 0.063 1.00 0.00 H new ATOM 0 HB3 SER A 32 -6.640 -11.394 -1.216 1.00 0.00 H new ATOM 0 HG SER A 32 -5.756 -13.425 -0.011 1.00 0.00 H new ATOM 466 N SER A 33 -3.686 -10.308 -0.151 1.00 0.00 N ATOM 467 CA SER A 33 -2.251 -10.309 -0.464 1.00 0.00 C ATOM 468 C SER A 33 -1.691 -8.903 -0.656 1.00 0.00 C ATOM 469 O SER A 33 -2.407 -7.910 -0.797 1.00 0.00 O ATOM 470 CB SER A 33 -1.892 -11.091 -1.742 1.00 0.00 C ATOM 471 OG SER A 33 -0.583 -11.625 -1.627 1.00 0.00 O ATOM 0 H SER A 33 -4.115 -9.391 -0.271 1.00 0.00 H new ATOM 0 HA SER A 33 -1.809 -10.795 0.406 1.00 0.00 H new ATOM 0 HB2 SER A 33 -2.610 -11.895 -1.901 1.00 0.00 H new ATOM 0 HB3 SER A 33 -1.952 -10.434 -2.610 1.00 0.00 H new ATOM 0 HG SER A 33 -0.360 -12.123 -2.441 1.00 0.00 H new ATOM 477 N ILE A 34 -0.376 -8.865 -0.797 1.00 0.00 N ATOM 478 CA ILE A 34 0.414 -7.717 -1.209 1.00 0.00 C ATOM 479 C ILE A 34 1.736 -8.185 -1.822 1.00 0.00 C ATOM 480 O ILE A 34 2.171 -9.305 -1.571 1.00 0.00 O ATOM 481 CB ILE A 34 0.644 -6.766 -0.001 1.00 0.00 C ATOM 482 CG1 ILE A 34 1.372 -5.460 -0.394 1.00 0.00 C ATOM 483 CG2 ILE A 34 1.423 -7.471 1.129 1.00 0.00 C ATOM 484 CD1 ILE A 34 1.257 -4.366 0.666 1.00 0.00 C ATOM 0 H ILE A 34 0.203 -9.685 -0.616 1.00 0.00 H new ATOM 0 HA ILE A 34 -0.127 -7.157 -1.972 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.350 -6.497 0.358 1.00 0.00 H new ATOM 0 HG12 ILE A 34 2.425 -5.677 -0.570 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.961 -5.091 -1.334 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.567 -6.779 1.958 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.859 -8.338 1.474 1.00 0.00 H new ATOM 0 HG23 ILE A 34 2.394 -7.795 0.754 1.00 0.00 H new ATOM 0 HD11 ILE A 34 1.789 -3.476 0.330 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.207 -4.122 0.825 1.00 0.00 H new ATOM 0 HD13 ILE A 34 1.693 -4.718 1.601 1.00 0.00 H new ATOM 496 N VAL A 35 2.322 -7.318 -2.639 1.00 0.00 N ATOM 497 CA VAL A 35 3.702 -7.367 -3.125 1.00 0.00 C ATOM 498 C VAL A 35 4.188 -5.940 -3.229 1.00 0.00 C ATOM 499 O VAL A 35 3.589 -5.123 -3.932 1.00 0.00 O ATOM 500 CB VAL A 35 3.848 -8.032 -4.507 1.00 0.00 C ATOM 501 CG1 VAL A 35 5.200 -7.757 -5.201 1.00 0.00 C ATOM 502 CG2 VAL A 35 3.744 -9.548 -4.328 1.00 0.00 C ATOM 0 H VAL A 35 1.817 -6.510 -3.004 1.00 0.00 H new ATOM 0 HA VAL A 35 4.282 -7.969 -2.426 1.00 0.00 H new ATOM 0 HB VAL A 35 3.060 -7.611 -5.131 1.00 0.00 H new ATOM 0 HG11 VAL A 35 5.222 -8.260 -6.168 1.00 0.00 H new ATOM 0 HG12 VAL A 35 5.322 -6.684 -5.348 1.00 0.00 H new ATOM 0 HG13 VAL A 35 6.012 -8.132 -4.578 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.845 -10.037 -5.297 1.00 0.00 H new ATOM 0 HG22 VAL A 35 4.537 -9.891 -3.664 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.775 -9.798 -3.895 1.00 0.00 H new ATOM 512 N VAL A 36 5.293 -5.662 -2.564 1.00 0.00 N ATOM 513 CA VAL A 36 6.017 -4.404 -2.736 1.00 0.00 C ATOM 514 C VAL A 36 7.121 -4.572 -3.768 1.00 0.00 C ATOM 515 O VAL A 36 7.905 -5.522 -3.756 1.00 0.00 O ATOM 516 CB VAL A 36 6.543 -3.834 -1.409 1.00 0.00 C ATOM 517 CG1 VAL A 36 7.513 -2.662 -1.611 1.00 0.00 C ATOM 518 CG2 VAL A 36 5.381 -3.246 -0.601 1.00 0.00 C ATOM 0 H VAL A 36 5.719 -6.297 -1.889 1.00 0.00 H new ATOM 0 HA VAL A 36 5.310 -3.663 -3.109 1.00 0.00 H new ATOM 0 HB VAL A 36 7.043 -4.664 -0.909 1.00 0.00 H new ATOM 0 HG11 VAL A 36 7.852 -2.299 -0.641 1.00 0.00 H new ATOM 0 HG12 VAL A 36 8.371 -2.996 -2.194 1.00 0.00 H new ATOM 0 HG13 VAL A 36 7.005 -1.857 -2.142 1.00 0.00 H new ATOM 0 HG21 VAL A 36 5.758 -2.843 0.339 1.00 0.00 H new ATOM 0 HG22 VAL A 36 4.907 -2.449 -1.173 1.00 0.00 H new ATOM 0 HG23 VAL A 36 4.650 -4.028 -0.393 1.00 0.00 H new ATOM 528 N SER A 37 7.188 -3.591 -4.664 1.00 0.00 N ATOM 529 CA SER A 37 8.299 -3.420 -5.585 1.00 0.00 C ATOM 530 C SER A 37 9.537 -3.032 -4.772 1.00 0.00 C ATOM 531 O SER A 37 9.750 -1.850 -4.562 1.00 0.00 O ATOM 532 CB SER A 37 7.980 -2.280 -6.561 1.00 0.00 C ATOM 533 OG SER A 37 7.023 -2.624 -7.542 1.00 0.00 O ATOM 0 H SER A 37 6.460 -2.884 -4.769 1.00 0.00 H new ATOM 0 HA SER A 37 8.471 -4.342 -6.140 1.00 0.00 H new ATOM 0 HB2 SER A 37 7.616 -1.421 -5.997 1.00 0.00 H new ATOM 0 HB3 SER A 37 8.900 -1.969 -7.056 1.00 0.00 H new ATOM 0 HG SER A 37 6.865 -1.855 -8.128 1.00 0.00 H new ATOM 539 N LEU A 38 10.350 -3.987 -4.303 1.00 0.00 N ATOM 540 CA LEU A 38 11.422 -3.738 -3.323 1.00 0.00 C ATOM 541 C LEU A 38 12.329 -2.584 -3.737 1.00 0.00 C ATOM 542 O LEU A 38 12.743 -1.816 -2.879 1.00 0.00 O ATOM 543 CB LEU A 38 12.265 -5.010 -3.082 1.00 0.00 C ATOM 544 CG LEU A 38 12.662 -5.265 -1.608 1.00 0.00 C ATOM 545 CD1 LEU A 38 13.396 -6.610 -1.513 1.00 0.00 C ATOM 546 CD2 LEU A 38 13.551 -4.173 -0.989 1.00 0.00 C ATOM 0 H LEU A 38 10.284 -4.963 -4.593 1.00 0.00 H new ATOM 0 HA LEU A 38 10.929 -3.457 -2.392 1.00 0.00 H new ATOM 0 HB2 LEU A 38 11.706 -5.872 -3.446 1.00 0.00 H new ATOM 0 HB3 LEU A 38 13.174 -4.944 -3.681 1.00 0.00 H new ATOM 0 HG LEU A 38 11.732 -5.263 -1.040 1.00 0.00 H new ATOM 0 HD11 LEU A 38 13.679 -6.797 -0.477 1.00 0.00 H new ATOM 0 HD12 LEU A 38 12.740 -7.408 -1.860 1.00 0.00 H new ATOM 0 HD13 LEU A 38 14.291 -6.581 -2.134 1.00 0.00 H new ATOM 0 HD21 LEU A 38 13.780 -4.433 0.044 1.00 0.00 H new ATOM 0 HD22 LEU A 38 14.478 -4.093 -1.557 1.00 0.00 H new ATOM 0 HD23 LEU A 38 13.026 -3.218 -1.015 1.00 0.00 H new ATOM 558 N GLU A 39 12.638 -2.450 -5.028 1.00 0.00 N ATOM 559 CA GLU A 39 13.320 -1.287 -5.548 1.00 0.00 C ATOM 560 C GLU A 39 12.462 -0.027 -5.360 1.00 0.00 C ATOM 561 O GLU A 39 12.791 0.857 -4.571 1.00 0.00 O ATOM 562 CB GLU A 39 13.664 -1.558 -7.021 1.00 0.00 C ATOM 563 CG GLU A 39 14.744 -0.648 -7.599 1.00 0.00 C ATOM 564 CD GLU A 39 14.520 0.845 -7.340 1.00 0.00 C ATOM 565 OE1 GLU A 39 13.560 1.402 -7.927 1.00 0.00 O ATOM 566 OE2 GLU A 39 15.282 1.384 -6.508 1.00 0.00 O ATOM 0 H GLU A 39 12.418 -3.152 -5.735 1.00 0.00 H new ATOM 0 HA GLU A 39 14.245 -1.103 -5.002 1.00 0.00 H new ATOM 0 HB2 GLU A 39 13.989 -2.594 -7.120 1.00 0.00 H new ATOM 0 HB3 GLU A 39 12.758 -1.450 -7.618 1.00 0.00 H new ATOM 0 HG2 GLU A 39 15.708 -0.936 -7.179 1.00 0.00 H new ATOM 0 HG3 GLU A 39 14.803 -0.813 -8.675 1.00 0.00 H new ATOM 573 N ASN A 40 11.333 0.023 -6.058 1.00 0.00 N ATOM 574 CA ASN A 40 10.524 1.226 -6.180 1.00 0.00 C ATOM 575 C ASN A 40 9.887 1.631 -4.850 1.00 0.00 C ATOM 576 O ASN A 40 9.690 0.844 -3.930 1.00 0.00 O ATOM 577 CB ASN A 40 9.413 1.037 -7.225 1.00 0.00 C ATOM 578 CG ASN A 40 9.876 0.353 -8.497 1.00 0.00 C ATOM 579 OD1 ASN A 40 9.152 -0.448 -9.076 1.00 0.00 O ATOM 580 ND2 ASN A 40 11.101 0.587 -8.923 1.00 0.00 N ATOM 0 H ASN A 40 10.952 -0.779 -6.559 1.00 0.00 H new ATOM 0 HA ASN A 40 11.200 2.020 -6.497 1.00 0.00 H new ATOM 0 HB2 ASN A 40 8.607 0.452 -6.782 1.00 0.00 H new ATOM 0 HB3 ASN A 40 8.997 2.012 -7.479 1.00 0.00 H new ATOM 0 HD21 ASN A 40 11.457 0.099 -9.745 1.00 0.00 H new ATOM 0 HD22 ASN A 40 11.693 1.257 -8.431 1.00 0.00 H new ATOM 587 N ARG A 41 9.392 2.865 -4.796 1.00 0.00 N ATOM 588 CA ARG A 41 8.541 3.289 -3.690 1.00 0.00 C ATOM 589 C ARG A 41 7.053 2.967 -3.913 1.00 0.00 C ATOM 590 O ARG A 41 6.206 3.797 -3.596 1.00 0.00 O ATOM 591 CB ARG A 41 8.850 4.730 -3.288 1.00 0.00 C ATOM 592 CG ARG A 41 8.598 5.856 -4.286 1.00 0.00 C ATOM 593 CD ARG A 41 9.684 6.146 -5.317 1.00 0.00 C ATOM 594 NE ARG A 41 9.671 7.591 -5.610 1.00 0.00 N ATOM 595 CZ ARG A 41 10.522 8.287 -6.344 1.00 0.00 C ATOM 596 NH1 ARG A 41 11.527 7.720 -6.981 1.00 0.00 N ATOM 597 NH2 ARG A 41 10.364 9.588 -6.427 1.00 0.00 N ATOM 0 H ARG A 41 9.564 3.583 -5.500 1.00 0.00 H new ATOM 0 HA ARG A 41 8.788 2.685 -2.817 1.00 0.00 H new ATOM 0 HB2 ARG A 41 8.270 4.951 -2.392 1.00 0.00 H new ATOM 0 HB3 ARG A 41 9.902 4.772 -3.006 1.00 0.00 H new ATOM 0 HG2 ARG A 41 7.678 5.628 -4.824 1.00 0.00 H new ATOM 0 HG3 ARG A 41 8.419 6.771 -3.721 1.00 0.00 H new ATOM 0 HD2 ARG A 41 10.660 5.845 -4.936 1.00 0.00 H new ATOM 0 HD3 ARG A 41 9.507 5.573 -6.227 1.00 0.00 H new ATOM 0 HE ARG A 41 8.907 8.122 -5.192 1.00 0.00 H new ATOM 0 HH11 ARG A 41 11.668 6.712 -6.917 1.00 0.00 H new ATOM 0 HH12 ARG A 41 12.164 8.289 -7.538 1.00 0.00 H new ATOM 0 HH21 ARG A 41 9.597 10.041 -5.931 1.00 0.00 H new ATOM 0 HH22 ARG A 41 11.009 10.145 -6.988 1.00 0.00 H new ATOM 611 N SER A 42 6.695 1.799 -4.464 1.00 0.00 N ATOM 612 CA SER A 42 5.293 1.401 -4.687 1.00 0.00 C ATOM 613 C SER A 42 4.936 -0.027 -4.260 1.00 0.00 C ATOM 614 O SER A 42 5.771 -0.927 -4.245 1.00 0.00 O ATOM 615 CB SER A 42 4.950 1.478 -6.179 1.00 0.00 C ATOM 616 OG SER A 42 5.877 0.752 -6.972 1.00 0.00 O ATOM 0 H SER A 42 7.371 1.099 -4.770 1.00 0.00 H new ATOM 0 HA SER A 42 4.729 2.098 -4.067 1.00 0.00 H new ATOM 0 HB2 SER A 42 3.946 1.085 -6.342 1.00 0.00 H new ATOM 0 HB3 SER A 42 4.939 2.521 -6.496 1.00 0.00 H new ATOM 0 HG SER A 42 5.625 0.823 -7.916 1.00 0.00 H new ATOM 622 N ALA A 43 3.640 -0.240 -4.040 1.00 0.00 N ATOM 623 CA ALA A 43 3.015 -1.479 -3.577 1.00 0.00 C ATOM 624 C ALA A 43 1.846 -1.876 -4.484 1.00 0.00 C ATOM 625 O ALA A 43 1.054 -1.027 -4.894 1.00 0.00 O ATOM 626 CB ALA A 43 2.497 -1.221 -2.152 1.00 0.00 C ATOM 0 H ALA A 43 2.952 0.498 -4.190 1.00 0.00 H new ATOM 0 HA ALA A 43 3.740 -2.293 -3.596 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.022 -2.124 -1.769 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.331 -0.947 -1.506 1.00 0.00 H new ATOM 0 HB3 ALA A 43 1.771 -0.409 -2.170 1.00 0.00 H new ATOM 632 N ILE A 44 1.710 -3.169 -4.755 1.00 0.00 N ATOM 633 CA ILE A 44 0.570 -3.790 -5.433 1.00 0.00 C ATOM 634 C ILE A 44 -0.132 -4.616 -4.357 1.00 0.00 C ATOM 635 O ILE A 44 0.476 -5.503 -3.754 1.00 0.00 O ATOM 636 CB ILE A 44 1.052 -4.630 -6.636 1.00 0.00 C ATOM 637 CG1 ILE A 44 1.751 -3.716 -7.675 1.00 0.00 C ATOM 638 CG2 ILE A 44 -0.146 -5.366 -7.267 1.00 0.00 C ATOM 639 CD1 ILE A 44 2.420 -4.475 -8.828 1.00 0.00 C ATOM 0 H ILE A 44 2.425 -3.849 -4.497 1.00 0.00 H new ATOM 0 HA ILE A 44 -0.123 -3.065 -5.860 1.00 0.00 H new ATOM 0 HB ILE A 44 1.774 -5.372 -6.296 1.00 0.00 H new ATOM 0 HG12 ILE A 44 1.016 -3.025 -8.087 1.00 0.00 H new ATOM 0 HG13 ILE A 44 2.504 -3.114 -7.165 1.00 0.00 H new ATOM 0 HG21 ILE A 44 0.197 -5.958 -8.116 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -0.601 -6.023 -6.526 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -0.883 -4.638 -7.606 1.00 0.00 H new ATOM 0 HD11 ILE A 44 2.886 -3.764 -9.510 1.00 0.00 H new ATOM 0 HD12 ILE A 44 3.181 -5.146 -8.429 1.00 0.00 H new ATOM 0 HD13 ILE A 44 1.670 -5.055 -9.365 1.00 0.00 H new ATOM 651 N VAL A 45 -1.383 -4.273 -4.076 1.00 0.00 N ATOM 652 CA VAL A 45 -2.138 -4.760 -2.918 1.00 0.00 C ATOM 653 C VAL A 45 -3.396 -5.464 -3.429 1.00 0.00 C ATOM 654 O VAL A 45 -4.094 -4.904 -4.274 1.00 0.00 O ATOM 655 CB VAL A 45 -2.515 -3.581 -1.999 1.00 0.00 C ATOM 656 CG1 VAL A 45 -3.093 -4.121 -0.681 1.00 0.00 C ATOM 657 CG2 VAL A 45 -1.327 -2.655 -1.671 1.00 0.00 C ATOM 0 H VAL A 45 -1.919 -3.631 -4.660 1.00 0.00 H new ATOM 0 HA VAL A 45 -1.533 -5.458 -2.339 1.00 0.00 H new ATOM 0 HB VAL A 45 -3.250 -2.989 -2.544 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -3.359 -3.287 -0.032 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -3.982 -4.716 -0.890 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -2.348 -4.743 -0.185 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -1.664 -1.848 -1.021 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -0.549 -3.227 -1.166 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -0.928 -2.235 -2.594 1.00 0.00 H new ATOM 667 N VAL A 46 -3.683 -6.668 -2.927 1.00 0.00 N ATOM 668 CA VAL A 46 -4.766 -7.552 -3.397 1.00 0.00 C ATOM 669 C VAL A 46 -5.751 -7.775 -2.248 1.00 0.00 C ATOM 670 O VAL A 46 -5.355 -8.266 -1.198 1.00 0.00 O ATOM 671 CB VAL A 46 -4.204 -8.925 -3.846 1.00 0.00 C ATOM 672 CG1 VAL A 46 -5.285 -9.814 -4.477 1.00 0.00 C ATOM 673 CG2 VAL A 46 -2.995 -8.819 -4.792 1.00 0.00 C ATOM 0 H VAL A 46 -3.153 -7.073 -2.156 1.00 0.00 H new ATOM 0 HA VAL A 46 -5.260 -7.081 -4.247 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.853 -9.394 -2.927 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.845 -10.765 -4.776 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -6.078 -9.993 -3.751 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -5.701 -9.315 -5.353 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -2.657 -9.819 -5.063 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -3.284 -8.277 -5.692 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -2.187 -8.286 -4.291 1.00 0.00 H new ATOM 683 N TYR A 47 -7.025 -7.424 -2.399 1.00 0.00 N ATOM 684 CA TYR A 47 -8.016 -7.410 -1.309 1.00 0.00 C ATOM 685 C TYR A 47 -9.361 -8.022 -1.730 1.00 0.00 C ATOM 686 O TYR A 47 -9.663 -8.126 -2.912 1.00 0.00 O ATOM 687 CB TYR A 47 -8.183 -5.977 -0.782 1.00 0.00 C ATOM 688 CG TYR A 47 -8.733 -4.993 -1.796 1.00 0.00 C ATOM 689 CD1 TYR A 47 -7.850 -4.369 -2.699 1.00 0.00 C ATOM 690 CD2 TYR A 47 -10.111 -4.704 -1.852 1.00 0.00 C ATOM 691 CE1 TYR A 47 -8.329 -3.434 -3.631 1.00 0.00 C ATOM 692 CE2 TYR A 47 -10.606 -3.798 -2.814 1.00 0.00 C ATOM 693 CZ TYR A 47 -9.707 -3.148 -3.692 1.00 0.00 C ATOM 694 OH TYR A 47 -10.154 -2.255 -4.611 1.00 0.00 O ATOM 0 H TYR A 47 -7.412 -7.134 -3.297 1.00 0.00 H new ATOM 0 HA TYR A 47 -7.642 -8.041 -0.503 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -8.846 -5.997 0.083 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -7.215 -5.617 -0.433 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -6.798 -4.611 -2.674 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -10.790 -5.177 -1.157 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -7.643 -2.935 -4.299 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -11.666 -3.602 -2.880 1.00 0.00 H new ATOM 0 HH TYR A 47 -9.399 -1.926 -5.142 1.00 0.00 H new ATOM 704 N ASN A 48 -10.194 -8.425 -0.773 1.00 0.00 N ATOM 705 CA ASN A 48 -11.390 -9.231 -1.056 1.00 0.00 C ATOM 706 C ASN A 48 -12.654 -8.365 -1.236 1.00 0.00 C ATOM 707 O ASN A 48 -13.183 -7.846 -0.251 1.00 0.00 O ATOM 708 CB ASN A 48 -11.535 -10.255 0.083 1.00 0.00 C ATOM 709 CG ASN A 48 -12.687 -11.225 -0.135 1.00 0.00 C ATOM 710 OD1 ASN A 48 -12.492 -12.365 -0.521 1.00 0.00 O ATOM 711 ND2 ASN A 48 -13.916 -10.804 0.109 1.00 0.00 N ATOM 0 H ASN A 48 -10.065 -8.207 0.215 1.00 0.00 H new ATOM 0 HA ASN A 48 -11.274 -9.749 -2.008 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -10.606 -10.818 0.179 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -11.686 -9.725 1.024 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -14.707 -11.434 -0.025 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -14.073 -9.849 0.432 1.00 0.00 H new ATOM 718 N ALA A 49 -13.183 -8.237 -2.462 1.00 0.00 N ATOM 719 CA ALA A 49 -14.356 -7.404 -2.775 1.00 0.00 C ATOM 720 C ALA A 49 -14.970 -7.739 -4.146 1.00 0.00 C ATOM 721 O ALA A 49 -14.277 -8.196 -5.043 1.00 0.00 O ATOM 722 CB ALA A 49 -13.943 -5.922 -2.726 1.00 0.00 C ATOM 0 H ALA A 49 -12.802 -8.717 -3.278 1.00 0.00 H new ATOM 0 HA ALA A 49 -15.124 -7.611 -2.030 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -14.805 -5.296 -2.957 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -13.575 -5.680 -1.729 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -13.156 -5.739 -3.458 1.00 0.00 H new ATOM 728 N SER A 50 -16.249 -7.428 -4.358 1.00 0.00 N ATOM 729 CA SER A 50 -16.934 -7.576 -5.649 1.00 0.00 C ATOM 730 C SER A 50 -16.772 -6.320 -6.529 1.00 0.00 C ATOM 731 O SER A 50 -17.584 -6.067 -7.416 1.00 0.00 O ATOM 732 CB SER A 50 -18.421 -7.863 -5.376 1.00 0.00 C ATOM 733 OG SER A 50 -19.043 -6.812 -4.646 1.00 0.00 O ATOM 0 H SER A 50 -16.853 -7.058 -3.624 1.00 0.00 H new ATOM 0 HA SER A 50 -16.486 -8.403 -6.200 1.00 0.00 H new ATOM 0 HB2 SER A 50 -18.942 -8.004 -6.323 1.00 0.00 H new ATOM 0 HB3 SER A 50 -18.514 -8.795 -4.819 1.00 0.00 H new ATOM 0 HG SER A 50 -19.986 -7.032 -4.495 1.00 0.00 H new ATOM 739 N SER A 51 -15.775 -5.475 -6.249 1.00 0.00 N ATOM 740 CA SER A 51 -15.612 -4.130 -6.817 1.00 0.00 C ATOM 741 C SER A 51 -14.272 -3.486 -6.408 1.00 0.00 C ATOM 742 O SER A 51 -13.476 -4.104 -5.699 1.00 0.00 O ATOM 743 CB SER A 51 -16.809 -3.239 -6.424 1.00 0.00 C ATOM 744 OG SER A 51 -17.894 -3.457 -7.301 1.00 0.00 O ATOM 0 H SER A 51 -15.030 -5.717 -5.596 1.00 0.00 H new ATOM 0 HA SER A 51 -15.591 -4.225 -7.903 1.00 0.00 H new ATOM 0 HB2 SER A 51 -17.112 -3.457 -5.400 1.00 0.00 H new ATOM 0 HB3 SER A 51 -16.515 -2.190 -6.453 1.00 0.00 H new ATOM 0 HG SER A 51 -18.113 -4.412 -7.320 1.00 0.00 H new ATOM 750 N VAL A 52 -14.012 -2.250 -6.856 1.00 0.00 N ATOM 751 CA VAL A 52 -12.774 -1.499 -6.587 1.00 0.00 C ATOM 752 C VAL A 52 -13.043 -0.279 -5.684 1.00 0.00 C ATOM 753 O VAL A 52 -13.827 0.597 -6.043 1.00 0.00 O ATOM 754 CB VAL A 52 -12.048 -1.135 -7.910 1.00 0.00 C ATOM 755 CG1 VAL A 52 -12.881 -0.277 -8.881 1.00 0.00 C ATOM 756 CG2 VAL A 52 -10.691 -0.457 -7.659 1.00 0.00 C ATOM 0 H VAL A 52 -14.674 -1.729 -7.431 1.00 0.00 H new ATOM 0 HA VAL A 52 -12.093 -2.141 -6.028 1.00 0.00 H new ATOM 0 HB VAL A 52 -11.889 -2.098 -8.396 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -12.296 -0.071 -9.777 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -13.788 -0.815 -9.156 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -13.149 0.663 -8.398 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -10.220 -0.221 -8.613 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -10.843 0.462 -7.092 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -10.047 -1.130 -7.093 1.00 0.00 H new ATOM 766 N THR A 53 -12.360 -0.228 -4.529 1.00 0.00 N ATOM 767 CA THR A 53 -12.409 0.862 -3.529 1.00 0.00 C ATOM 768 C THR A 53 -10.996 1.034 -2.950 1.00 0.00 C ATOM 769 O THR A 53 -10.688 0.433 -1.922 1.00 0.00 O ATOM 770 CB THR A 53 -13.433 0.552 -2.427 1.00 0.00 C ATOM 771 OG1 THR A 53 -14.692 0.372 -3.025 1.00 0.00 O ATOM 772 CG2 THR A 53 -13.578 1.703 -1.429 1.00 0.00 C ATOM 0 H THR A 53 -11.728 -0.978 -4.250 1.00 0.00 H new ATOM 0 HA THR A 53 -12.730 1.791 -4.000 1.00 0.00 H new ATOM 0 HB THR A 53 -13.085 -0.336 -1.899 1.00 0.00 H new ATOM 0 HG1 THR A 53 -15.357 0.171 -2.334 1.00 0.00 H new ATOM 0 HG21 THR A 53 -14.313 1.436 -0.670 1.00 0.00 H new ATOM 0 HG22 THR A 53 -12.617 1.894 -0.952 1.00 0.00 H new ATOM 0 HG23 THR A 53 -13.908 2.600 -1.953 1.00 0.00 H new ATOM 780 N PRO A 54 -10.116 1.816 -3.603 1.00 0.00 N ATOM 781 CA PRO A 54 -8.689 1.831 -3.296 1.00 0.00 C ATOM 782 C PRO A 54 -8.275 2.776 -2.157 1.00 0.00 C ATOM 783 O PRO A 54 -7.241 2.531 -1.539 1.00 0.00 O ATOM 784 CB PRO A 54 -8.038 2.227 -4.623 1.00 0.00 C ATOM 785 CG PRO A 54 -9.051 3.199 -5.227 1.00 0.00 C ATOM 786 CD PRO A 54 -10.389 2.596 -4.803 1.00 0.00 C ATOM 0 HA PRO A 54 -8.371 0.860 -2.918 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -7.067 2.699 -4.471 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -7.875 1.362 -5.266 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -8.922 4.210 -4.841 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -8.959 3.258 -6.312 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -11.123 3.377 -4.602 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -10.801 1.967 -5.592 1.00 0.00 H new ATOM 794 N GLU A 55 -9.038 3.835 -1.847 1.00 0.00 N ATOM 795 CA GLU A 55 -8.603 4.835 -0.855 1.00 0.00 C ATOM 796 C GLU A 55 -8.424 4.256 0.562 1.00 0.00 C ATOM 797 O GLU A 55 -7.615 4.780 1.317 1.00 0.00 O ATOM 798 CB GLU A 55 -9.558 6.044 -0.825 1.00 0.00 C ATOM 799 CG GLU A 55 -9.259 7.094 -1.911 1.00 0.00 C ATOM 800 CD GLU A 55 -7.981 7.905 -1.652 1.00 0.00 C ATOM 801 OE1 GLU A 55 -7.790 8.424 -0.529 1.00 0.00 O ATOM 802 OE2 GLU A 55 -7.153 8.040 -2.577 1.00 0.00 O ATOM 0 H GLU A 55 -9.950 4.022 -2.263 1.00 0.00 H new ATOM 0 HA GLU A 55 -7.618 5.167 -1.183 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -10.582 5.690 -0.946 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -9.498 6.519 0.154 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -9.171 6.592 -2.874 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -10.104 7.778 -1.984 1.00 0.00 H new ATOM 809 N SER A 56 -9.085 3.162 0.946 1.00 0.00 N ATOM 810 CA SER A 56 -8.868 2.542 2.264 1.00 0.00 C ATOM 811 C SER A 56 -7.461 1.942 2.419 1.00 0.00 C ATOM 812 O SER A 56 -6.827 2.086 3.467 1.00 0.00 O ATOM 813 CB SER A 56 -9.917 1.446 2.482 1.00 0.00 C ATOM 814 OG SER A 56 -9.936 0.569 1.368 1.00 0.00 O ATOM 0 H SER A 56 -9.775 2.684 0.367 1.00 0.00 H new ATOM 0 HA SER A 56 -8.964 3.328 3.013 1.00 0.00 H new ATOM 0 HB2 SER A 56 -9.690 0.889 3.391 1.00 0.00 H new ATOM 0 HB3 SER A 56 -10.901 1.894 2.620 1.00 0.00 H new ATOM 0 HG SER A 56 -10.607 -0.130 1.514 1.00 0.00 H new ATOM 820 N LEU A 57 -6.949 1.292 1.368 1.00 0.00 N ATOM 821 CA LEU A 57 -5.582 0.775 1.349 1.00 0.00 C ATOM 822 C LEU A 57 -4.562 1.912 1.305 1.00 0.00 C ATOM 823 O LEU A 57 -3.600 1.872 2.067 1.00 0.00 O ATOM 824 CB LEU A 57 -5.369 -0.141 0.142 1.00 0.00 C ATOM 825 CG LEU A 57 -6.256 -1.392 0.011 1.00 0.00 C ATOM 826 CD1 LEU A 57 -5.789 -2.159 -1.231 1.00 0.00 C ATOM 827 CD2 LEU A 57 -6.195 -2.319 1.230 1.00 0.00 C ATOM 0 H LEU A 57 -7.471 1.111 0.511 1.00 0.00 H new ATOM 0 HA LEU A 57 -5.435 0.206 2.267 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -5.504 0.458 -0.758 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.330 -0.470 0.153 1.00 0.00 H new ATOM 0 HG LEU A 57 -7.292 -1.063 -0.068 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -6.397 -3.055 -1.356 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -5.893 -1.524 -2.111 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -4.744 -2.444 -1.111 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -6.845 -3.179 1.066 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -5.170 -2.661 1.376 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -6.526 -1.777 2.116 1.00 0.00 H new ATOM 839 N ARG A 58 -4.782 2.945 0.478 1.00 0.00 N ATOM 840 CA ARG A 58 -3.954 4.148 0.462 1.00 0.00 C ATOM 841 C ARG A 58 -3.833 4.716 1.877 1.00 0.00 C ATOM 842 O ARG A 58 -2.729 4.970 2.347 1.00 0.00 O ATOM 843 CB ARG A 58 -4.593 5.177 -0.474 1.00 0.00 C ATOM 844 CG ARG A 58 -3.732 6.434 -0.587 1.00 0.00 C ATOM 845 CD ARG A 58 -4.526 7.584 -1.187 1.00 0.00 C ATOM 846 NE ARG A 58 -3.909 8.878 -0.882 1.00 0.00 N ATOM 847 CZ ARG A 58 -4.371 10.058 -1.253 1.00 0.00 C ATOM 848 NH1 ARG A 58 -5.424 10.185 -2.033 1.00 0.00 N ATOM 849 NH2 ARG A 58 -3.770 11.122 -0.774 1.00 0.00 N ATOM 0 H ARG A 58 -5.544 2.964 -0.200 1.00 0.00 H new ATOM 0 HA ARG A 58 -2.954 3.905 0.103 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -4.730 4.737 -1.462 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -5.583 5.444 -0.104 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -3.363 6.717 0.399 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -2.859 6.227 -1.206 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -4.593 7.457 -2.268 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -5.545 7.565 -0.800 1.00 0.00 H new ATOM 0 HE ARG A 58 -3.048 8.866 -0.336 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -5.911 9.355 -2.371 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -5.753 11.113 -2.299 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -2.978 11.018 -0.140 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -4.095 12.053 -1.035 1.00 0.00 H new ATOM 863 N LYS A 59 -4.958 4.853 2.583 1.00 0.00 N ATOM 864 CA LYS A 59 -5.002 5.319 3.969 1.00 0.00 C ATOM 865 C LYS A 59 -4.234 4.418 4.950 1.00 0.00 C ATOM 866 O LYS A 59 -3.638 4.946 5.880 1.00 0.00 O ATOM 867 CB LYS A 59 -6.471 5.534 4.375 1.00 0.00 C ATOM 868 CG LYS A 59 -6.903 7.004 4.229 1.00 0.00 C ATOM 869 CD LYS A 59 -6.667 7.565 2.821 1.00 0.00 C ATOM 870 CE LYS A 59 -6.915 9.067 2.727 1.00 0.00 C ATOM 871 NZ LYS A 59 -6.309 9.575 1.480 1.00 0.00 N ATOM 0 H LYS A 59 -5.879 4.639 2.200 1.00 0.00 H new ATOM 0 HA LYS A 59 -4.473 6.271 4.026 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -7.113 4.905 3.758 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -6.611 5.216 5.408 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -7.961 7.091 4.475 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -6.356 7.610 4.951 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -5.642 7.352 2.519 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -7.320 7.050 2.117 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -7.985 9.274 2.737 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -6.484 9.575 3.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -6.545 10.581 1.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -5.276 9.465 1.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -6.679 9.037 0.670 1.00 0.00 H new ATOM 885 N ALA A 60 -4.153 3.102 4.725 1.00 0.00 N ATOM 886 CA ALA A 60 -3.279 2.217 5.502 1.00 0.00 C ATOM 887 C ALA A 60 -1.788 2.515 5.249 1.00 0.00 C ATOM 888 O ALA A 60 -0.991 2.530 6.182 1.00 0.00 O ATOM 889 CB ALA A 60 -3.648 0.764 5.179 1.00 0.00 C ATOM 0 H ALA A 60 -4.689 2.622 4.002 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.433 2.394 6.566 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.007 0.091 5.749 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.690 0.585 5.445 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.509 0.582 4.113 1.00 0.00 H new ATOM 895 N ILE A 61 -1.421 2.844 4.003 1.00 0.00 N ATOM 896 CA ILE A 61 -0.055 3.267 3.651 1.00 0.00 C ATOM 897 C ILE A 61 0.256 4.632 4.280 1.00 0.00 C ATOM 898 O ILE A 61 1.213 4.754 5.042 1.00 0.00 O ATOM 899 CB ILE A 61 0.182 3.273 2.116 1.00 0.00 C ATOM 900 CG1 ILE A 61 -0.228 1.953 1.437 1.00 0.00 C ATOM 901 CG2 ILE A 61 1.669 3.528 1.836 1.00 0.00 C ATOM 902 CD1 ILE A 61 -0.230 1.978 -0.090 1.00 0.00 C ATOM 0 H ILE A 61 -2.061 2.825 3.209 1.00 0.00 H new ATOM 0 HA ILE A 61 0.638 2.533 4.062 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.444 4.063 1.701 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.449 1.166 1.770 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.226 1.681 1.781 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.841 3.533 0.760 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.958 4.492 2.254 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.266 2.740 2.295 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.532 1.002 -0.469 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.930 2.736 -0.441 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.771 2.214 -0.451 1.00 0.00 H new ATOM 914 N GLU A 62 -0.594 5.638 4.051 1.00 0.00 N ATOM 915 CA GLU A 62 -0.489 6.960 4.670 1.00 0.00 C ATOM 916 C GLU A 62 -0.497 6.882 6.207 1.00 0.00 C ATOM 917 O GLU A 62 0.038 7.779 6.839 1.00 0.00 O ATOM 918 CB GLU A 62 -1.601 7.903 4.157 1.00 0.00 C ATOM 919 CG GLU A 62 -1.443 8.243 2.666 1.00 0.00 C ATOM 920 CD GLU A 62 -2.518 9.140 2.038 1.00 0.00 C ATOM 921 OE1 GLU A 62 -3.729 8.904 2.241 1.00 0.00 O ATOM 922 OE2 GLU A 62 -2.169 9.980 1.178 1.00 0.00 O ATOM 0 H GLU A 62 -1.389 5.553 3.418 1.00 0.00 H new ATOM 0 HA GLU A 62 0.474 7.376 4.375 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -2.572 7.436 4.319 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -1.589 8.824 4.740 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.476 8.727 2.530 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -1.413 7.308 2.107 1.00 0.00 H new ATOM 929 N ALA A 63 -1.004 5.803 6.820 1.00 0.00 N ATOM 930 CA ALA A 63 -0.963 5.583 8.269 1.00 0.00 C ATOM 931 C ALA A 63 0.284 4.847 8.792 1.00 0.00 C ATOM 932 O ALA A 63 0.390 4.646 10.000 1.00 0.00 O ATOM 933 CB ALA A 63 -2.258 4.881 8.699 1.00 0.00 C ATOM 0 H ALA A 63 -1.462 5.046 6.312 1.00 0.00 H new ATOM 0 HA ALA A 63 -0.885 6.567 8.731 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -2.240 4.712 9.776 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -3.113 5.507 8.445 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -2.342 3.925 8.183 1.00 0.00 H new ATOM 939 N VAL A 64 1.238 4.504 7.922 1.00 0.00 N ATOM 940 CA VAL A 64 2.520 3.884 8.313 1.00 0.00 C ATOM 941 C VAL A 64 3.606 4.936 8.508 1.00 0.00 C ATOM 942 O VAL A 64 4.516 4.780 9.318 1.00 0.00 O ATOM 943 CB VAL A 64 2.973 2.779 7.331 1.00 0.00 C ATOM 944 CG1 VAL A 64 3.894 3.177 6.190 1.00 0.00 C ATOM 945 CG2 VAL A 64 3.736 1.716 8.122 1.00 0.00 C ATOM 0 H VAL A 64 1.147 4.648 6.916 1.00 0.00 H new ATOM 0 HA VAL A 64 2.350 3.393 9.271 1.00 0.00 H new ATOM 0 HB VAL A 64 2.040 2.456 6.870 1.00 0.00 H new ATOM 0 HG11 VAL A 64 4.126 2.299 5.587 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.401 3.925 5.569 1.00 0.00 H new ATOM 0 HG13 VAL A 64 4.817 3.593 6.595 1.00 0.00 H new ATOM 0 HG21 VAL A 64 4.065 0.926 7.447 1.00 0.00 H new ATOM 0 HG22 VAL A 64 4.604 2.171 8.599 1.00 0.00 H new ATOM 0 HG23 VAL A 64 3.083 1.292 8.885 1.00 0.00 H new ATOM 955 N SER A 65 3.510 6.038 7.765 1.00 0.00 N ATOM 956 CA SER A 65 4.313 7.235 7.991 1.00 0.00 C ATOM 957 C SER A 65 3.533 8.512 7.591 1.00 0.00 C ATOM 958 O SER A 65 3.850 9.156 6.586 1.00 0.00 O ATOM 959 CB SER A 65 5.723 7.094 7.397 1.00 0.00 C ATOM 960 OG SER A 65 6.161 5.757 7.184 1.00 0.00 O ATOM 0 H SER A 65 2.864 6.124 6.980 1.00 0.00 H new ATOM 0 HA SER A 65 4.495 7.352 9.059 1.00 0.00 H new ATOM 0 HB2 SER A 65 5.754 7.625 6.446 1.00 0.00 H new ATOM 0 HB3 SER A 65 6.431 7.589 8.062 1.00 0.00 H new ATOM 0 HG SER A 65 6.280 5.601 6.224 1.00 0.00 H new ATOM 966 N PRO A 66 2.483 8.863 8.364 1.00 0.00 N ATOM 967 CA PRO A 66 1.634 10.028 8.131 1.00 0.00 C ATOM 968 C PRO A 66 2.413 11.339 8.177 1.00 0.00 C ATOM 969 O PRO A 66 3.341 11.502 8.966 1.00 0.00 O ATOM 970 CB PRO A 66 0.520 9.979 9.189 1.00 0.00 C ATOM 971 CG PRO A 66 1.046 9.009 10.247 1.00 0.00 C ATOM 972 CD PRO A 66 1.903 8.054 9.425 1.00 0.00 C ATOM 0 HA PRO A 66 1.214 9.994 7.126 1.00 0.00 H new ATOM 0 HB2 PRO A 66 0.330 10.965 9.613 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -0.420 9.630 8.761 1.00 0.00 H new ATOM 0 HG2 PRO A 66 1.630 9.521 11.012 1.00 0.00 H new ATOM 0 HG3 PRO A 66 0.236 8.489 10.759 1.00 0.00 H new ATOM 0 HD2 PRO A 66 2.680 7.597 10.039 1.00 0.00 H new ATOM 0 HD3 PRO A 66 1.302 7.242 9.015 1.00 0.00 H new ATOM 980 N GLY A 67 2.030 12.268 7.296 1.00 0.00 N ATOM 981 CA GLY A 67 2.698 13.559 7.087 1.00 0.00 C ATOM 982 C GLY A 67 3.941 13.469 6.194 1.00 0.00 C ATOM 983 O GLY A 67 4.260 14.438 5.514 1.00 0.00 O ATOM 0 H GLY A 67 1.221 12.139 6.689 1.00 0.00 H new ATOM 0 HA2 GLY A 67 1.990 14.257 6.641 1.00 0.00 H new ATOM 0 HA3 GLY A 67 2.985 13.971 8.054 1.00 0.00 H new ATOM 987 N LEU A 68 4.610 12.311 6.168 1.00 0.00 N ATOM 988 CA LEU A 68 5.768 12.019 5.318 1.00 0.00 C ATOM 989 C LEU A 68 5.339 11.458 3.956 1.00 0.00 C ATOM 990 O LEU A 68 5.852 11.840 2.911 1.00 0.00 O ATOM 991 CB LEU A 68 6.649 11.012 6.077 1.00 0.00 C ATOM 992 CG LEU A 68 7.970 10.684 5.362 1.00 0.00 C ATOM 993 CD1 LEU A 68 8.930 11.875 5.413 1.00 0.00 C ATOM 994 CD2 LEU A 68 8.608 9.481 6.052 1.00 0.00 C ATOM 0 H LEU A 68 4.350 11.523 6.761 1.00 0.00 H new ATOM 0 HA LEU A 68 6.322 12.935 5.111 1.00 0.00 H new ATOM 0 HB2 LEU A 68 6.871 11.411 7.067 1.00 0.00 H new ATOM 0 HB3 LEU A 68 6.087 10.090 6.224 1.00 0.00 H new ATOM 0 HG LEU A 68 7.765 10.460 4.315 1.00 0.00 H new ATOM 0 HD11 LEU A 68 9.857 11.617 4.900 1.00 0.00 H new ATOM 0 HD12 LEU A 68 8.471 12.734 4.923 1.00 0.00 H new ATOM 0 HD13 LEU A 68 9.147 12.123 6.452 1.00 0.00 H new ATOM 0 HD21 LEU A 68 9.547 9.234 5.557 1.00 0.00 H new ATOM 0 HD22 LEU A 68 8.801 9.721 7.098 1.00 0.00 H new ATOM 0 HD23 LEU A 68 7.932 8.628 5.994 1.00 0.00 H new ATOM 1006 N TYR A 69 4.397 10.518 3.979 1.00 0.00 N ATOM 1007 CA TYR A 69 4.011 9.696 2.835 1.00 0.00 C ATOM 1008 C TYR A 69 3.084 10.410 1.826 1.00 0.00 C ATOM 1009 O TYR A 69 1.861 10.457 1.986 1.00 0.00 O ATOM 1010 CB TYR A 69 3.400 8.396 3.387 1.00 0.00 C ATOM 1011 CG TYR A 69 4.363 7.263 3.703 1.00 0.00 C ATOM 1012 CD1 TYR A 69 5.736 7.462 3.962 1.00 0.00 C ATOM 1013 CD2 TYR A 69 3.870 5.950 3.637 1.00 0.00 C ATOM 1014 CE1 TYR A 69 6.585 6.357 4.168 1.00 0.00 C ATOM 1015 CE2 TYR A 69 4.725 4.846 3.715 1.00 0.00 C ATOM 1016 CZ TYR A 69 6.092 5.043 4.009 1.00 0.00 C ATOM 1017 OH TYR A 69 6.913 3.971 4.173 1.00 0.00 O ATOM 0 H TYR A 69 3.864 10.301 4.821 1.00 0.00 H new ATOM 0 HA TYR A 69 4.899 9.478 2.242 1.00 0.00 H new ATOM 0 HB2 TYR A 69 2.852 8.639 4.297 1.00 0.00 H new ATOM 0 HB3 TYR A 69 2.671 8.030 2.664 1.00 0.00 H new ATOM 0 HD1 TYR A 69 6.137 8.464 4.002 1.00 0.00 H new ATOM 0 HD2 TYR A 69 2.808 5.789 3.524 1.00 0.00 H new ATOM 0 HE1 TYR A 69 7.616 6.515 4.448 1.00 0.00 H new ATOM 0 HE2 TYR A 69 4.342 3.849 3.551 1.00 0.00 H new ATOM 0 HH TYR A 69 6.387 3.146 4.124 1.00 0.00 H new ATOM 1027 N ARG A 70 3.653 10.854 0.700 1.00 0.00 N ATOM 1028 CA ARG A 70 2.983 11.456 -0.474 1.00 0.00 C ATOM 1029 C ARG A 70 2.135 10.471 -1.319 1.00 0.00 C ATOM 1030 O ARG A 70 2.216 10.452 -2.551 1.00 0.00 O ATOM 1031 CB ARG A 70 4.072 12.080 -1.335 1.00 0.00 C ATOM 1032 CG ARG A 70 3.550 13.189 -2.255 1.00 0.00 C ATOM 1033 CD ARG A 70 4.381 13.160 -3.519 1.00 0.00 C ATOM 1034 NE ARG A 70 3.900 14.074 -4.565 1.00 0.00 N ATOM 1035 CZ ARG A 70 4.548 14.369 -5.690 1.00 0.00 C ATOM 1036 NH1 ARG A 70 5.751 13.911 -5.975 1.00 0.00 N ATOM 1037 NH2 ARG A 70 3.974 15.157 -6.578 1.00 0.00 N ATOM 0 H ARG A 70 4.663 10.802 0.569 1.00 0.00 H new ATOM 0 HA ARG A 70 2.264 12.188 -0.107 1.00 0.00 H new ATOM 0 HB2 ARG A 70 4.849 12.488 -0.688 1.00 0.00 H new ATOM 0 HB3 ARG A 70 4.538 11.303 -1.941 1.00 0.00 H new ATOM 0 HG2 ARG A 70 2.496 13.032 -2.485 1.00 0.00 H new ATOM 0 HG3 ARG A 70 3.628 14.161 -1.767 1.00 0.00 H new ATOM 0 HD2 ARG A 70 5.411 13.416 -3.272 1.00 0.00 H new ATOM 0 HD3 ARG A 70 4.391 12.144 -3.913 1.00 0.00 H new ATOM 0 HE ARG A 70 2.994 14.519 -4.417 1.00 0.00 H new ATOM 0 HH11 ARG A 70 6.232 13.298 -5.317 1.00 0.00 H new ATOM 0 HH12 ARG A 70 6.201 14.170 -6.853 1.00 0.00 H new ATOM 0 HH21 ARG A 70 3.043 15.534 -6.399 1.00 0.00 H new ATOM 0 HH22 ARG A 70 4.461 15.390 -7.443 1.00 0.00 H new ATOM 1051 N VAL A 71 1.343 9.625 -0.673 1.00 0.00 N ATOM 1052 CA VAL A 71 0.720 8.463 -1.334 1.00 0.00 C ATOM 1053 C VAL A 71 -0.288 8.850 -2.401 1.00 0.00 C ATOM 1054 O VAL A 71 -1.188 9.662 -2.198 1.00 0.00 O ATOM 1055 CB VAL A 71 0.121 7.389 -0.404 1.00 0.00 C ATOM 1056 CG1 VAL A 71 -0.082 6.032 -1.107 1.00 0.00 C ATOM 1057 CG2 VAL A 71 1.061 7.149 0.774 1.00 0.00 C ATOM 0 H VAL A 71 1.110 9.715 0.316 1.00 0.00 H new ATOM 0 HA VAL A 71 1.580 7.991 -1.809 1.00 0.00 H new ATOM 0 HB VAL A 71 -0.850 7.768 -0.085 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -0.506 5.317 -0.402 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -0.761 6.157 -1.950 1.00 0.00 H new ATOM 0 HG13 VAL A 71 0.878 5.661 -1.467 1.00 0.00 H new ATOM 0 HG21 VAL A 71 0.636 6.390 1.430 1.00 0.00 H new ATOM 0 HG22 VAL A 71 2.028 6.809 0.404 1.00 0.00 H new ATOM 0 HG23 VAL A 71 1.191 8.077 1.330 1.00 0.00 H new ATOM 1067 N SER A 72 -0.100 8.229 -3.557 1.00 0.00 N ATOM 1068 CA SER A 72 -0.898 8.406 -4.755 1.00 0.00 C ATOM 1069 C SER A 72 -1.196 7.045 -5.410 1.00 0.00 C ATOM 1070 O SER A 72 -0.400 6.109 -5.353 1.00 0.00 O ATOM 1071 CB SER A 72 -0.117 9.303 -5.714 1.00 0.00 C ATOM 1072 OG SER A 72 0.274 10.536 -5.118 1.00 0.00 O ATOM 0 H SER A 72 0.653 7.554 -3.688 1.00 0.00 H new ATOM 0 HA SER A 72 -1.853 8.867 -4.505 1.00 0.00 H new ATOM 0 HB2 SER A 72 0.771 8.773 -6.059 1.00 0.00 H new ATOM 0 HB3 SER A 72 -0.728 9.507 -6.593 1.00 0.00 H new ATOM 0 HG SER A 72 0.945 10.366 -4.424 1.00 0.00 H new ATOM 1078 N ILE A 73 -2.348 6.919 -6.058 1.00 0.00 N ATOM 1079 CA ILE A 73 -2.750 5.706 -6.787 1.00 0.00 C ATOM 1080 C ILE A 73 -2.134 5.758 -8.174 1.00 0.00 C ATOM 1081 O ILE A 73 -2.292 6.749 -8.881 1.00 0.00 O ATOM 1082 CB ILE A 73 -4.295 5.599 -6.824 1.00 0.00 C ATOM 1083 CG1 ILE A 73 -4.857 5.446 -5.392 1.00 0.00 C ATOM 1084 CG2 ILE A 73 -4.762 4.427 -7.712 1.00 0.00 C ATOM 1085 CD1 ILE A 73 -6.370 5.660 -5.284 1.00 0.00 C ATOM 0 H ILE A 73 -3.044 7.663 -6.097 1.00 0.00 H new ATOM 0 HA ILE A 73 -2.388 4.809 -6.285 1.00 0.00 H new ATOM 0 HB ILE A 73 -4.681 6.520 -7.261 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -4.615 4.449 -5.024 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -4.353 6.158 -4.738 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -5.851 4.383 -7.714 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -4.403 4.577 -8.730 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -4.362 3.492 -7.320 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -6.682 5.535 -4.247 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -6.620 6.667 -5.619 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -6.886 4.931 -5.909 1.00 0.00 H new ATOM 1097 N THR A 74 -1.413 4.698 -8.544 1.00 0.00 N ATOM 1098 CA THR A 74 -0.710 4.604 -9.820 1.00 0.00 C ATOM 1099 C THR A 74 -1.642 3.977 -10.848 1.00 0.00 C ATOM 1100 O THR A 74 -1.934 2.785 -10.781 1.00 0.00 O ATOM 1101 CB THR A 74 0.598 3.812 -9.664 1.00 0.00 C ATOM 1102 OG1 THR A 74 1.068 3.866 -8.335 1.00 0.00 O ATOM 1103 CG2 THR A 74 1.673 4.468 -10.514 1.00 0.00 C ATOM 0 H THR A 74 -1.301 3.872 -7.957 1.00 0.00 H new ATOM 0 HA THR A 74 -0.430 5.599 -10.166 1.00 0.00 H new ATOM 0 HB THR A 74 0.400 2.781 -9.958 1.00 0.00 H new ATOM 0 HG1 THR A 74 1.900 3.353 -8.261 1.00 0.00 H new ATOM 0 HG21 THR A 74 2.606 3.914 -10.411 1.00 0.00 H new ATOM 0 HG22 THR A 74 1.363 4.465 -11.559 1.00 0.00 H new ATOM 0 HG23 THR A 74 1.822 5.496 -10.182 1.00 0.00 H new ATOM 1111 N SER A 75 -2.165 4.774 -11.775 1.00 0.00 N ATOM 1112 CA SER A 75 -3.142 4.362 -12.794 1.00 0.00 C ATOM 1113 C SER A 75 -3.185 5.377 -13.942 1.00 0.00 C ATOM 1114 O SER A 75 -2.837 6.536 -13.737 1.00 0.00 O ATOM 1115 CB SER A 75 -4.541 4.246 -12.169 1.00 0.00 C ATOM 1116 OG SER A 75 -4.603 3.158 -11.256 1.00 0.00 O ATOM 0 H SER A 75 -1.915 5.761 -11.845 1.00 0.00 H new ATOM 0 HA SER A 75 -2.835 3.392 -13.186 1.00 0.00 H new ATOM 0 HB2 SER A 75 -4.791 5.173 -11.653 1.00 0.00 H new ATOM 0 HB3 SER A 75 -5.284 4.109 -12.955 1.00 0.00 H new ATOM 0 HG SER A 75 -3.699 2.820 -11.088 1.00 0.00 H new ATOM 1122 N GLU A 76 -3.623 4.948 -15.129 1.00 0.00 N ATOM 1123 CA GLU A 76 -3.744 5.805 -16.311 1.00 0.00 C ATOM 1124 C GLU A 76 -4.904 6.796 -16.120 1.00 0.00 C ATOM 1125 O GLU A 76 -6.075 6.421 -16.179 1.00 0.00 O ATOM 1126 CB GLU A 76 -3.909 4.901 -17.546 1.00 0.00 C ATOM 1127 CG GLU A 76 -3.761 5.627 -18.888 1.00 0.00 C ATOM 1128 CD GLU A 76 -3.895 4.655 -20.068 1.00 0.00 C ATOM 1129 OE1 GLU A 76 -3.215 3.603 -20.033 1.00 0.00 O ATOM 1130 OE2 GLU A 76 -4.673 4.967 -20.997 1.00 0.00 O ATOM 0 H GLU A 76 -3.907 3.983 -15.298 1.00 0.00 H new ATOM 0 HA GLU A 76 -2.850 6.411 -16.459 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -3.170 4.101 -17.496 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -4.892 4.431 -17.508 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -4.520 6.405 -18.968 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -2.791 6.122 -18.931 1.00 0.00 H new ATOM 1137 N VAL A 77 -4.563 8.053 -15.835 1.00 0.00 N ATOM 1138 CA VAL A 77 -5.517 9.155 -15.561 1.00 0.00 C ATOM 1139 C VAL A 77 -5.220 10.437 -16.356 1.00 0.00 C ATOM 1140 O VAL A 77 -6.106 11.266 -16.562 1.00 0.00 O ATOM 1141 CB VAL A 77 -5.583 9.492 -14.052 1.00 0.00 C ATOM 1142 CG1 VAL A 77 -6.094 8.306 -13.216 1.00 0.00 C ATOM 1143 CG2 VAL A 77 -4.244 9.983 -13.473 1.00 0.00 C ATOM 0 H VAL A 77 -3.589 8.353 -15.784 1.00 0.00 H new ATOM 0 HA VAL A 77 -6.484 8.779 -15.894 1.00 0.00 H new ATOM 0 HB VAL A 77 -6.295 10.314 -13.984 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -6.124 8.589 -12.164 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -7.096 8.033 -13.547 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.425 7.455 -13.345 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.364 10.200 -12.412 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -3.487 9.210 -13.601 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -3.931 10.887 -13.995 1.00 0.00 H new TER 1153 VAL A 77