USER MOD reduce.3.24.130724 H: found=0, std=0, add=447, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 447 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 29 SER OG : rot 180:sc= 0.0346 USER MOD Set 1.2: A 34 THR OG1 : rot -71:sc= 0.0349 USER MOD Set 2.1: A 4 HIS : no HE2:sc= -1.5 K(o=-2.1,f=-8.8!) USER MOD Set 2.2: A 14 THR OG1 : rot 180:sc= -0.652 USER MOD Single : A 1 LEU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 ASN : amide:sc= -5.42 K(o=-5.4,f=-15!) USER MOD Single : A 6 GLN : amide:sc= -1.46 K(o=-1.5,f=-2!) USER MOD Single : A 7 GLN : amide:sc= -0.592 X(o=-0.59,f=-0.55) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -0.0486 X(o=-0.049,f=0) USER MOD Single : A 13 THR OG1 : rot -47:sc= -1.5! USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.185 USER MOD Single : A 18 SER OG : rot 180:sc= 0.0258 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -0.218 X(o=-0.22,f=-0.2) USER MOD Single : A 24 TYR OH : rot 180:sc= -0.334 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ -109:sc= -0.481 (180deg=-3.94!) USER MOD Single : A 31 HIS : no HD1:sc= -0.276 K(o=-0.28,f=-0.82) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= -0.188 X(o=-0.19,f=0) USER MOD Single : A 52 ASN :FLIP amide:sc= -0.819 F(o=-2,f=-0.82) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -3.07 K(o=-3.1,f=-11!) USER MOD Single : A 61 ASN : amide:sc= -1.11 K(o=-1.1,f=-4.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 3.757 14.602 0.869 1.00 0.00 N ATOM 2 CA LEU A 1 3.198 13.855 -0.289 1.00 0.00 C ATOM 3 C LEU A 1 1.765 13.409 -0.017 1.00 0.00 C ATOM 4 O LEU A 1 1.337 13.330 1.134 1.00 0.00 O ATOM 5 CB LEU A 1 4.088 12.639 -0.558 1.00 0.00 C ATOM 6 CG LEU A 1 4.261 12.279 -2.035 1.00 0.00 C ATOM 7 CD1 LEU A 1 5.648 11.706 -2.285 1.00 0.00 C ATOM 8 CD2 LEU A 1 3.187 11.293 -2.473 1.00 0.00 C ATOM 0 H1 LEU A 1 4.732 14.893 0.656 1.00 0.00 H new ATOM 0 H2 LEU A 1 3.176 15.445 1.051 1.00 0.00 H new ATOM 0 H3 LEU A 1 3.754 13.991 1.711 1.00 0.00 H new ATOM 0 HA LEU A 1 3.178 14.508 -1.162 1.00 0.00 H new ATOM 0 HB2 LEU A 1 5.072 12.825 -0.127 1.00 0.00 H new ATOM 0 HB3 LEU A 1 3.669 11.778 -0.036 1.00 0.00 H new ATOM 0 HG LEU A 1 4.154 13.188 -2.626 1.00 0.00 H new ATOM 0 HD11 LEU A 1 5.753 11.456 -3.341 1.00 0.00 H new ATOM 0 HD12 LEU A 1 6.402 12.444 -2.010 1.00 0.00 H new ATOM 0 HD13 LEU A 1 5.784 10.807 -1.684 1.00 0.00 H new ATOM 0 HD21 LEU A 1 3.325 11.048 -3.526 1.00 0.00 H new ATOM 0 HD22 LEU A 1 3.262 10.384 -1.876 1.00 0.00 H new ATOM 0 HD23 LEU A 1 2.203 11.740 -2.331 1.00 0.00 H new ATOM 22 N GLU A 2 1.029 13.120 -1.085 1.00 0.00 N ATOM 23 CA GLU A 2 -0.358 12.683 -0.960 1.00 0.00 C ATOM 24 C GLU A 2 -0.525 11.253 -1.466 1.00 0.00 C ATOM 25 O GLU A 2 -1.028 11.026 -2.566 1.00 0.00 O ATOM 26 CB GLU A 2 -1.282 13.628 -1.734 1.00 0.00 C ATOM 27 CG GLU A 2 -2.146 14.501 -0.837 1.00 0.00 C ATOM 28 CD GLU A 2 -3.147 15.327 -1.619 1.00 0.00 C ATOM 29 OE1 GLU A 2 -2.787 16.441 -2.056 1.00 0.00 O ATOM 30 OE2 GLU A 2 -4.294 14.862 -1.794 1.00 0.00 O ATOM 0 H GLU A 2 1.368 13.180 -2.045 1.00 0.00 H new ATOM 0 HA GLU A 2 -0.630 12.707 0.095 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -0.678 14.268 -2.377 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -1.928 13.039 -2.386 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -2.678 13.870 -0.125 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -1.506 15.166 -0.257 1.00 0.00 H new ATOM 37 N CYS A 3 -0.100 10.290 -0.654 1.00 0.00 N ATOM 38 CA CYS A 3 -0.200 8.886 -1.013 1.00 0.00 C ATOM 39 C CYS A 3 -1.612 8.361 -0.771 1.00 0.00 C ATOM 40 O CYS A 3 -2.519 9.124 -0.437 1.00 0.00 O ATOM 41 CB CYS A 3 0.805 8.073 -0.202 1.00 0.00 C ATOM 42 SG CYS A 3 2.544 8.519 -0.507 1.00 0.00 S ATOM 0 H CYS A 3 0.318 10.461 0.260 1.00 0.00 H new ATOM 0 HA CYS A 3 0.024 8.784 -2.075 1.00 0.00 H new ATOM 0 HB2 CYS A 3 0.589 8.202 0.858 1.00 0.00 H new ATOM 0 HB3 CYS A 3 0.667 7.016 -0.429 1.00 0.00 H new ATOM 47 N HIS A 4 -1.790 7.056 -0.939 1.00 0.00 N ATOM 48 CA HIS A 4 -3.092 6.430 -0.737 1.00 0.00 C ATOM 49 C HIS A 4 -3.055 5.464 0.443 1.00 0.00 C ATOM 50 O HIS A 4 -1.984 5.071 0.904 1.00 0.00 O ATOM 51 CB HIS A 4 -3.524 5.689 -2.003 1.00 0.00 C ATOM 52 CG HIS A 4 -3.827 6.599 -3.153 1.00 0.00 C ATOM 53 ND1 HIS A 4 -4.853 7.518 -3.134 1.00 0.00 N ATOM 54 CD2 HIS A 4 -3.229 6.728 -4.362 1.00 0.00 C ATOM 55 CE1 HIS A 4 -4.876 8.173 -4.281 1.00 0.00 C ATOM 56 NE2 HIS A 4 -3.901 7.713 -5.043 1.00 0.00 N ATOM 0 H HIS A 4 -1.050 6.411 -1.214 1.00 0.00 H new ATOM 0 HA HIS A 4 -3.815 7.215 -0.517 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -2.735 4.996 -2.296 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -4.408 5.091 -1.781 1.00 0.00 H new ATOM 0 HD1 HIS A 4 -5.495 7.669 -2.356 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -2.383 6.162 -4.722 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -5.574 8.952 -4.550 1.00 0.00 H new ATOM 65 N ASN A 5 -4.234 5.085 0.925 1.00 0.00 N ATOM 66 CA ASN A 5 -4.340 4.165 2.050 1.00 0.00 C ATOM 67 C ASN A 5 -5.703 3.477 2.062 1.00 0.00 C ATOM 68 O ASN A 5 -6.383 3.438 3.088 1.00 0.00 O ATOM 69 CB ASN A 5 -4.115 4.908 3.369 1.00 0.00 C ATOM 70 CG ASN A 5 -5.127 6.016 3.588 1.00 0.00 C ATOM 71 OD1 ASN A 5 -6.183 6.040 2.957 1.00 0.00 O ATOM 72 ND2 ASN A 5 -4.805 6.942 4.484 1.00 0.00 N ATOM 0 H ASN A 5 -5.130 5.401 0.553 1.00 0.00 H new ATOM 0 HA ASN A 5 -3.569 3.402 1.938 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -4.171 4.200 4.196 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -3.110 5.330 3.378 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -5.445 7.714 4.672 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -3.918 6.881 4.984 1.00 0.00 H new ATOM 79 N GLN A 6 -6.095 2.938 0.913 1.00 0.00 N ATOM 80 CA GLN A 6 -7.376 2.252 0.788 1.00 0.00 C ATOM 81 C GLN A 6 -7.181 0.741 0.730 1.00 0.00 C ATOM 82 O GLN A 6 -6.625 0.212 -0.232 1.00 0.00 O ATOM 83 CB GLN A 6 -8.114 2.731 -0.465 1.00 0.00 C ATOM 84 CG GLN A 6 -7.221 2.853 -1.688 1.00 0.00 C ATOM 85 CD GLN A 6 -7.953 2.540 -2.979 1.00 0.00 C ATOM 86 OE1 GLN A 6 -8.530 1.464 -3.133 1.00 0.00 O ATOM 87 NE2 GLN A 6 -7.930 3.481 -3.915 1.00 0.00 N ATOM 0 H GLN A 6 -5.544 2.963 0.055 1.00 0.00 H new ATOM 0 HA GLN A 6 -7.974 2.489 1.668 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -8.925 2.038 -0.686 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -8.570 3.700 -0.260 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -6.818 3.864 -1.739 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -6.373 2.177 -1.583 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -7.439 4.359 -3.744 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -8.403 3.327 -4.805 1.00 0.00 H new ATOM 96 N GLN A 7 -7.642 0.049 1.768 1.00 0.00 N ATOM 97 CA GLN A 7 -7.517 -1.398 1.839 1.00 0.00 C ATOM 98 C GLN A 7 -8.597 -2.080 1.004 1.00 0.00 C ATOM 99 O GLN A 7 -9.449 -1.417 0.412 1.00 0.00 O ATOM 100 CB GLN A 7 -7.611 -1.862 3.292 1.00 0.00 C ATOM 101 CG GLN A 7 -8.745 -1.215 4.070 1.00 0.00 C ATOM 102 CD GLN A 7 -8.277 -0.058 4.930 1.00 0.00 C ATOM 103 OE1 GLN A 7 -8.745 1.070 4.782 1.00 0.00 O ATOM 104 NE2 GLN A 7 -7.346 -0.333 5.836 1.00 0.00 N ATOM 0 H GLN A 7 -8.106 0.471 2.572 1.00 0.00 H new ATOM 0 HA GLN A 7 -6.544 -1.676 1.435 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -7.741 -2.944 3.310 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -6.668 -1.646 3.795 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -9.503 -0.860 3.372 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -9.220 -1.964 4.703 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -6.986 -1.283 5.925 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -6.991 0.406 6.443 1.00 0.00 H new ATOM 113 N SER A 8 -8.553 -3.407 0.962 1.00 0.00 N ATOM 114 CA SER A 8 -9.525 -4.184 0.202 1.00 0.00 C ATOM 115 C SER A 8 -9.449 -3.850 -1.287 1.00 0.00 C ATOM 116 O SER A 8 -8.799 -4.556 -2.056 1.00 0.00 O ATOM 117 CB SER A 8 -10.939 -3.930 0.730 1.00 0.00 C ATOM 118 OG SER A 8 -11.915 -4.467 -0.147 1.00 0.00 O ATOM 0 H SER A 8 -7.853 -3.968 1.447 1.00 0.00 H new ATOM 0 HA SER A 8 -9.286 -5.240 0.327 1.00 0.00 H new ATOM 0 HB2 SER A 8 -11.048 -4.378 1.718 1.00 0.00 H new ATOM 0 HB3 SER A 8 -11.100 -2.858 0.846 1.00 0.00 H new ATOM 0 HG SER A 8 -12.810 -4.293 0.213 1.00 0.00 H new ATOM 124 N SER A 9 -10.116 -2.769 -1.687 1.00 0.00 N ATOM 125 CA SER A 9 -10.120 -2.345 -3.084 1.00 0.00 C ATOM 126 C SER A 9 -10.987 -1.105 -3.273 1.00 0.00 C ATOM 127 O SER A 9 -10.479 -0.015 -3.539 1.00 0.00 O ATOM 128 CB SER A 9 -10.626 -3.476 -3.984 1.00 0.00 C ATOM 129 OG SER A 9 -9.872 -3.552 -5.181 1.00 0.00 O ATOM 0 H SER A 9 -10.660 -2.172 -1.064 1.00 0.00 H new ATOM 0 HA SER A 9 -9.096 -2.098 -3.364 1.00 0.00 H new ATOM 0 HB2 SER A 9 -10.564 -4.425 -3.451 1.00 0.00 H new ATOM 0 HB3 SER A 9 -11.677 -3.313 -4.222 1.00 0.00 H new ATOM 0 HG SER A 9 -10.214 -4.283 -5.737 1.00 0.00 H new ATOM 135 N GLN A 10 -12.298 -1.278 -3.135 1.00 0.00 N ATOM 136 CA GLN A 10 -13.236 -0.172 -3.292 1.00 0.00 C ATOM 137 C GLN A 10 -13.062 0.855 -2.179 1.00 0.00 C ATOM 138 O GLN A 10 -12.166 0.735 -1.342 1.00 0.00 O ATOM 139 CB GLN A 10 -14.672 -0.696 -3.301 1.00 0.00 C ATOM 140 CG GLN A 10 -15.183 -1.024 -4.690 1.00 0.00 C ATOM 141 CD GLN A 10 -16.150 0.018 -5.218 1.00 0.00 C ATOM 142 OE1 GLN A 10 -15.887 0.667 -6.230 1.00 0.00 O ATOM 143 NE2 GLN A 10 -17.275 0.182 -4.534 1.00 0.00 N ATOM 0 H GLN A 10 -12.735 -2.173 -2.915 1.00 0.00 H new ATOM 0 HA GLN A 10 -13.028 0.317 -4.244 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -14.729 -1.590 -2.680 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -15.326 0.049 -2.848 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -14.338 -1.109 -5.373 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -15.677 -1.996 -4.671 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -17.451 -0.378 -3.700 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -17.964 0.869 -4.842 1.00 0.00 H new ATOM 152 N ALA A 11 -13.925 1.866 -2.176 1.00 0.00 N ATOM 153 CA ALA A 11 -13.871 2.916 -1.166 1.00 0.00 C ATOM 154 C ALA A 11 -12.517 3.624 -1.178 1.00 0.00 C ATOM 155 O ALA A 11 -11.724 3.481 -0.247 1.00 0.00 O ATOM 156 CB ALA A 11 -14.156 2.338 0.213 1.00 0.00 C ATOM 0 H ALA A 11 -14.671 1.980 -2.863 1.00 0.00 H new ATOM 0 HA ALA A 11 -14.638 3.653 -1.404 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -14.112 3.133 0.957 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -15.149 1.888 0.221 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -13.411 1.578 0.450 1.00 0.00 H new ATOM 162 N PRO A 12 -12.235 4.398 -2.240 1.00 0.00 N ATOM 163 CA PRO A 12 -10.972 5.133 -2.378 1.00 0.00 C ATOM 164 C PRO A 12 -10.587 5.887 -1.110 1.00 0.00 C ATOM 165 O PRO A 12 -11.432 6.163 -0.258 1.00 0.00 O ATOM 166 CB PRO A 12 -11.272 6.106 -3.513 1.00 0.00 C ATOM 167 CG PRO A 12 -12.233 5.359 -4.362 1.00 0.00 C ATOM 168 CD PRO A 12 -13.123 4.624 -3.397 1.00 0.00 C ATOM 0 HA PRO A 12 -10.128 4.470 -2.568 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -11.703 7.036 -3.142 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -10.370 6.370 -4.065 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -12.810 6.035 -4.993 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -11.716 4.667 -5.026 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -13.999 5.213 -3.126 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -13.487 3.686 -3.817 1.00 0.00 H new ATOM 176 N THR A 13 -9.306 6.219 -0.991 1.00 0.00 N ATOM 177 CA THR A 13 -8.808 6.943 0.173 1.00 0.00 C ATOM 178 C THR A 13 -7.476 7.617 -0.135 1.00 0.00 C ATOM 179 O THR A 13 -6.797 7.263 -1.099 1.00 0.00 O ATOM 180 CB THR A 13 -8.653 5.994 1.361 1.00 0.00 C ATOM 181 OG1 THR A 13 -9.591 4.936 1.285 1.00 0.00 O ATOM 182 CG2 THR A 13 -8.837 6.675 2.700 1.00 0.00 C ATOM 0 H THR A 13 -8.593 5.998 -1.687 1.00 0.00 H new ATOM 0 HA THR A 13 -9.533 7.716 0.428 1.00 0.00 H new ATOM 0 HB THR A 13 -7.631 5.620 1.299 1.00 0.00 H new ATOM 0 HG1 THR A 13 -10.478 5.299 1.080 1.00 0.00 H new ATOM 0 HG21 THR A 13 -8.714 5.945 3.500 1.00 0.00 H new ATOM 0 HG22 THR A 13 -8.094 7.464 2.812 1.00 0.00 H new ATOM 0 HG23 THR A 13 -9.836 7.107 2.754 1.00 0.00 H new ATOM 190 N THR A 14 -7.106 8.591 0.691 1.00 0.00 N ATOM 191 CA THR A 14 -5.853 9.314 0.507 1.00 0.00 C ATOM 192 C THR A 14 -5.427 10.003 1.800 1.00 0.00 C ATOM 193 O THR A 14 -6.263 10.368 2.626 1.00 0.00 O ATOM 194 CB THR A 14 -5.996 10.348 -0.611 1.00 0.00 C ATOM 195 OG1 THR A 14 -6.953 9.924 -1.567 1.00 0.00 O ATOM 196 CG2 THR A 14 -4.701 10.616 -1.347 1.00 0.00 C ATOM 0 H THR A 14 -7.656 8.897 1.494 1.00 0.00 H new ATOM 0 HA THR A 14 -5.084 8.593 0.230 1.00 0.00 H new ATOM 0 HB THR A 14 -6.311 11.267 -0.116 1.00 0.00 H new ATOM 0 HG1 THR A 14 -7.031 10.599 -2.273 1.00 0.00 H new ATOM 0 HG21 THR A 14 -4.872 11.358 -2.127 1.00 0.00 H new ATOM 0 HG22 THR A 14 -3.955 10.991 -0.646 1.00 0.00 H new ATOM 0 HG23 THR A 14 -4.341 9.692 -1.799 1.00 0.00 H new ATOM 204 N LYS A 15 -4.119 10.175 1.970 1.00 0.00 N ATOM 205 CA LYS A 15 -3.581 10.818 3.163 1.00 0.00 C ATOM 206 C LYS A 15 -2.312 11.600 2.833 1.00 0.00 C ATOM 207 O LYS A 15 -1.981 11.801 1.665 1.00 0.00 O ATOM 208 CB LYS A 15 -3.289 9.773 4.243 1.00 0.00 C ATOM 209 CG LYS A 15 -4.104 9.967 5.513 1.00 0.00 C ATOM 210 CD LYS A 15 -3.248 10.494 6.657 1.00 0.00 C ATOM 211 CE LYS A 15 -3.756 11.833 7.164 1.00 0.00 C ATOM 212 NZ LYS A 15 -3.435 12.041 8.604 1.00 0.00 N ATOM 0 H LYS A 15 -3.413 9.878 1.296 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.328 11.517 3.539 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -3.490 8.780 3.840 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -2.229 9.807 4.493 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -4.920 10.663 5.319 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -4.556 9.019 5.804 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -3.246 9.772 7.474 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -2.216 10.599 6.322 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -3.314 12.636 6.574 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -4.835 11.889 7.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -3.799 12.966 8.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -3.878 11.290 9.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -2.404 12.013 8.737 1.00 0.00 H new ATOM 226 N THR A 16 -1.607 12.039 3.871 1.00 0.00 N ATOM 227 CA THR A 16 -0.374 12.798 3.692 1.00 0.00 C ATOM 228 C THR A 16 0.586 12.560 4.852 1.00 0.00 C ATOM 229 O THR A 16 0.176 12.518 6.012 1.00 0.00 O ATOM 230 CB THR A 16 -0.685 14.291 3.568 1.00 0.00 C ATOM 231 OG1 THR A 16 -1.783 14.503 2.699 1.00 0.00 O ATOM 232 CG2 THR A 16 0.479 15.103 3.044 1.00 0.00 C ATOM 0 H THR A 16 -1.868 11.882 4.844 1.00 0.00 H new ATOM 0 HA THR A 16 0.105 12.456 2.774 1.00 0.00 H new ATOM 0 HB THR A 16 -0.912 14.624 4.581 1.00 0.00 H new ATOM 0 HG1 THR A 16 -1.968 15.463 2.634 1.00 0.00 H new ATOM 0 HG21 THR A 16 0.191 16.152 2.980 1.00 0.00 H new ATOM 0 HG22 THR A 16 1.328 15.000 3.720 1.00 0.00 H new ATOM 0 HG23 THR A 16 0.758 14.743 2.054 1.00 0.00 H new ATOM 240 N CYS A 17 1.868 12.408 4.532 1.00 0.00 N ATOM 241 CA CYS A 17 2.887 12.175 5.549 1.00 0.00 C ATOM 242 C CYS A 17 3.869 13.341 5.611 1.00 0.00 C ATOM 243 O CYS A 17 4.551 13.643 4.631 1.00 0.00 O ATOM 244 CB CYS A 17 3.641 10.874 5.260 1.00 0.00 C ATOM 245 SG CYS A 17 2.594 9.384 5.309 1.00 0.00 S ATOM 0 H CYS A 17 2.225 12.442 3.577 1.00 0.00 H new ATOM 0 HA CYS A 17 2.388 12.090 6.514 1.00 0.00 H new ATOM 0 HB2 CYS A 17 4.106 10.946 4.277 1.00 0.00 H new ATOM 0 HB3 CYS A 17 4.446 10.764 5.986 1.00 0.00 H new ATOM 250 N SER A 18 3.936 13.991 6.767 1.00 0.00 N ATOM 251 CA SER A 18 4.835 15.124 6.955 1.00 0.00 C ATOM 252 C SER A 18 6.110 14.693 7.674 1.00 0.00 C ATOM 253 O SER A 18 6.713 15.474 8.410 1.00 0.00 O ATOM 254 CB SER A 18 4.137 16.229 7.749 1.00 0.00 C ATOM 255 OG SER A 18 3.130 15.695 8.592 1.00 0.00 O ATOM 0 H SER A 18 3.379 13.753 7.588 1.00 0.00 H new ATOM 0 HA SER A 18 5.106 15.508 5.972 1.00 0.00 H new ATOM 0 HB2 SER A 18 4.870 16.768 8.349 1.00 0.00 H new ATOM 0 HB3 SER A 18 3.695 16.951 7.062 1.00 0.00 H new ATOM 0 HG SER A 18 2.701 16.422 9.090 1.00 0.00 H new ATOM 261 N GLY A 19 6.515 13.446 7.454 1.00 0.00 N ATOM 262 CA GLY A 19 7.716 12.934 8.087 1.00 0.00 C ATOM 263 C GLY A 19 8.481 11.980 7.191 1.00 0.00 C ATOM 264 O GLY A 19 9.684 12.137 6.990 1.00 0.00 O ATOM 0 H GLY A 19 6.033 12.781 6.849 1.00 0.00 H new ATOM 0 HA2 GLY A 19 8.362 13.768 8.361 1.00 0.00 H new ATOM 0 HA3 GLY A 19 7.446 12.423 9.011 1.00 0.00 H new ATOM 268 N GLU A 20 7.778 10.988 6.651 1.00 0.00 N ATOM 269 CA GLU A 20 8.399 10.005 5.771 1.00 0.00 C ATOM 270 C GLU A 20 8.849 10.653 4.465 1.00 0.00 C ATOM 271 O GLU A 20 8.763 11.870 4.304 1.00 0.00 O ATOM 272 CB GLU A 20 7.423 8.863 5.480 1.00 0.00 C ATOM 273 CG GLU A 20 7.635 7.644 6.363 1.00 0.00 C ATOM 274 CD GLU A 20 6.679 7.604 7.539 1.00 0.00 C ATOM 275 OE1 GLU A 20 5.517 8.029 7.373 1.00 0.00 O ATOM 276 OE2 GLU A 20 7.093 7.146 8.625 1.00 0.00 O ATOM 0 H GLU A 20 6.780 10.845 6.807 1.00 0.00 H new ATOM 0 HA GLU A 20 9.277 9.602 6.276 1.00 0.00 H new ATOM 0 HB2 GLU A 20 6.403 9.225 5.612 1.00 0.00 H new ATOM 0 HB3 GLU A 20 7.523 8.567 4.436 1.00 0.00 H new ATOM 0 HG2 GLU A 20 7.509 6.741 5.766 1.00 0.00 H new ATOM 0 HG3 GLU A 20 8.660 7.641 6.733 1.00 0.00 H new ATOM 283 N THR A 21 9.327 9.832 3.537 1.00 0.00 N ATOM 284 CA THR A 21 9.791 10.327 2.246 1.00 0.00 C ATOM 285 C THR A 21 9.149 9.553 1.101 1.00 0.00 C ATOM 286 O THR A 21 8.528 10.136 0.212 1.00 0.00 O ATOM 287 CB THR A 21 11.314 10.226 2.154 1.00 0.00 C ATOM 288 OG1 THR A 21 11.929 10.929 3.219 1.00 0.00 O ATOM 289 CG2 THR A 21 11.873 10.775 0.859 1.00 0.00 C ATOM 0 H THR A 21 9.403 8.822 3.654 1.00 0.00 H new ATOM 0 HA THR A 21 9.497 11.373 2.162 1.00 0.00 H new ATOM 0 HB THR A 21 11.536 9.160 2.204 1.00 0.00 H new ATOM 0 HG1 THR A 21 12.903 10.851 3.143 1.00 0.00 H new ATOM 0 HG21 THR A 21 12.958 10.673 0.859 1.00 0.00 H new ATOM 0 HG22 THR A 21 11.456 10.220 0.019 1.00 0.00 H new ATOM 0 HG23 THR A 21 11.608 11.828 0.766 1.00 0.00 H new ATOM 297 N ASN A 22 9.307 8.238 1.131 1.00 0.00 N ATOM 298 CA ASN A 22 8.748 7.374 0.099 1.00 0.00 C ATOM 299 C ASN A 22 7.564 6.575 0.635 1.00 0.00 C ATOM 300 O ASN A 22 7.434 6.372 1.842 1.00 0.00 O ATOM 301 CB ASN A 22 9.816 6.419 -0.441 1.00 0.00 C ATOM 302 CG ASN A 22 10.850 6.039 0.600 1.00 0.00 C ATOM 303 OD1 ASN A 22 12.016 6.424 0.507 1.00 0.00 O ATOM 304 ND2 ASN A 22 10.424 5.279 1.597 1.00 0.00 N ATOM 0 H ASN A 22 9.819 7.743 1.861 1.00 0.00 H new ATOM 0 HA ASN A 22 8.398 8.011 -0.713 1.00 0.00 H new ATOM 0 HB2 ASN A 22 9.333 5.515 -0.813 1.00 0.00 H new ATOM 0 HB3 ASN A 22 10.317 6.885 -1.290 1.00 0.00 H new ATOM 0 HD21 ASN A 22 11.072 4.989 2.330 1.00 0.00 H new ATOM 0 HD22 ASN A 22 9.448 4.984 1.633 1.00 0.00 H new ATOM 311 N CYS A 23 6.708 6.123 -0.274 1.00 0.00 N ATOM 312 CA CYS A 23 5.537 5.344 0.090 1.00 0.00 C ATOM 313 C CYS A 23 5.653 3.935 -0.481 1.00 0.00 C ATOM 314 O CYS A 23 6.703 3.559 -0.996 1.00 0.00 O ATOM 315 CB CYS A 23 4.277 6.030 -0.435 1.00 0.00 C ATOM 316 SG CYS A 23 3.580 7.267 0.707 1.00 0.00 S ATOM 0 H CYS A 23 6.807 6.286 -1.276 1.00 0.00 H new ATOM 0 HA CYS A 23 5.473 5.275 1.176 1.00 0.00 H new ATOM 0 HB2 CYS A 23 4.507 6.515 -1.384 1.00 0.00 H new ATOM 0 HB3 CYS A 23 3.521 5.272 -0.640 1.00 0.00 H new ATOM 321 N TYR A 24 4.582 3.155 -0.394 1.00 0.00 N ATOM 322 CA TYR A 24 4.608 1.796 -0.919 1.00 0.00 C ATOM 323 C TYR A 24 3.207 1.253 -1.163 1.00 0.00 C ATOM 324 O TYR A 24 2.206 1.921 -0.908 1.00 0.00 O ATOM 325 CB TYR A 24 5.360 0.865 0.034 1.00 0.00 C ATOM 326 CG TYR A 24 4.687 0.691 1.378 1.00 0.00 C ATOM 327 CD1 TYR A 24 3.520 -0.051 1.500 1.00 0.00 C ATOM 328 CD2 TYR A 24 5.222 1.265 2.525 1.00 0.00 C ATOM 329 CE1 TYR A 24 2.904 -0.215 2.726 1.00 0.00 C ATOM 330 CE2 TYR A 24 4.613 1.104 3.754 1.00 0.00 C ATOM 331 CZ TYR A 24 3.454 0.363 3.849 1.00 0.00 C ATOM 332 OH TYR A 24 2.844 0.202 5.072 1.00 0.00 O ATOM 0 H TYR A 24 3.697 3.435 0.029 1.00 0.00 H new ATOM 0 HA TYR A 24 5.128 1.834 -1.876 1.00 0.00 H new ATOM 0 HB2 TYR A 24 5.467 -0.112 -0.437 1.00 0.00 H new ATOM 0 HB3 TYR A 24 6.366 1.256 0.190 1.00 0.00 H new ATOM 0 HD1 TYR A 24 3.087 -0.507 0.622 1.00 0.00 H new ATOM 0 HD2 TYR A 24 6.129 1.847 2.454 1.00 0.00 H new ATOM 0 HE1 TYR A 24 1.995 -0.794 2.803 1.00 0.00 H new ATOM 0 HE2 TYR A 24 5.042 1.556 4.636 1.00 0.00 H new ATOM 0 HH TYR A 24 3.360 0.672 5.760 1.00 0.00 H new ATOM 342 N LYS A 25 3.164 0.023 -1.652 1.00 0.00 N ATOM 343 CA LYS A 25 1.913 -0.662 -1.936 1.00 0.00 C ATOM 344 C LYS A 25 2.123 -2.167 -1.835 1.00 0.00 C ATOM 345 O LYS A 25 2.961 -2.733 -2.536 1.00 0.00 O ATOM 346 CB LYS A 25 1.398 -0.289 -3.329 1.00 0.00 C ATOM 347 CG LYS A 25 -0.117 -0.275 -3.434 1.00 0.00 C ATOM 348 CD LYS A 25 -0.661 -1.633 -3.846 1.00 0.00 C ATOM 349 CE LYS A 25 -1.817 -1.500 -4.824 1.00 0.00 C ATOM 350 NZ LYS A 25 -1.672 -2.420 -5.985 1.00 0.00 N ATOM 0 H LYS A 25 3.996 -0.528 -1.863 1.00 0.00 H new ATOM 0 HA LYS A 25 1.166 -0.353 -1.205 1.00 0.00 H new ATOM 0 HB2 LYS A 25 1.781 0.695 -3.597 1.00 0.00 H new ATOM 0 HB3 LYS A 25 1.798 -0.996 -4.056 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -0.546 0.014 -2.475 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -0.425 0.477 -4.160 1.00 0.00 H new ATOM 0 HD2 LYS A 25 0.135 -2.222 -4.301 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -0.993 -2.176 -2.961 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -2.754 -1.711 -4.309 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -1.874 -0.472 -5.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -2.480 -2.298 -6.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -0.791 -2.203 -6.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -1.644 -3.403 -5.647 1.00 0.00 H new ATOM 364 N LYS A 26 1.382 -2.809 -0.941 1.00 0.00 N ATOM 365 CA LYS A 26 1.519 -4.246 -0.737 1.00 0.00 C ATOM 366 C LYS A 26 0.227 -4.988 -1.048 1.00 0.00 C ATOM 367 O LYS A 26 -0.864 -4.439 -0.924 1.00 0.00 O ATOM 368 CB LYS A 26 1.943 -4.544 0.705 1.00 0.00 C ATOM 369 CG LYS A 26 1.614 -3.436 1.694 1.00 0.00 C ATOM 370 CD LYS A 26 1.729 -3.923 3.130 1.00 0.00 C ATOM 371 CE LYS A 26 1.406 -2.819 4.124 1.00 0.00 C ATOM 372 NZ LYS A 26 1.080 -3.359 5.474 1.00 0.00 N ATOM 0 H LYS A 26 0.683 -2.361 -0.348 1.00 0.00 H new ATOM 0 HA LYS A 26 2.288 -4.596 -1.426 1.00 0.00 H new ATOM 0 HB2 LYS A 26 1.457 -5.463 1.032 1.00 0.00 H new ATOM 0 HB3 LYS A 26 3.017 -4.727 0.725 1.00 0.00 H new ATOM 0 HG2 LYS A 26 2.289 -2.595 1.538 1.00 0.00 H new ATOM 0 HG3 LYS A 26 0.603 -3.071 1.512 1.00 0.00 H new ATOM 0 HD2 LYS A 26 1.051 -4.763 3.285 1.00 0.00 H new ATOM 0 HD3 LYS A 26 2.739 -4.291 3.310 1.00 0.00 H new ATOM 0 HE2 LYS A 26 2.256 -2.141 4.201 1.00 0.00 H new ATOM 0 HE3 LYS A 26 0.564 -2.234 3.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 0.064 -3.237 5.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 1.320 -4.370 5.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 1.628 -2.847 6.194 1.00 0.00 H new ATOM 386 N TRP A 27 0.368 -6.252 -1.429 1.00 0.00 N ATOM 387 CA TRP A 27 -0.778 -7.095 -1.731 1.00 0.00 C ATOM 388 C TRP A 27 -0.399 -8.559 -1.666 1.00 0.00 C ATOM 389 O TRP A 27 0.770 -8.920 -1.783 1.00 0.00 O ATOM 390 CB TRP A 27 -1.353 -6.800 -3.109 1.00 0.00 C ATOM 391 CG TRP A 27 -0.360 -6.875 -4.208 1.00 0.00 C ATOM 392 CD1 TRP A 27 -0.181 -7.926 -5.029 1.00 0.00 C ATOM 393 CD2 TRP A 27 0.573 -5.867 -4.623 1.00 0.00 C ATOM 394 NE1 TRP A 27 0.808 -7.659 -5.933 1.00 0.00 N ATOM 395 CE2 TRP A 27 1.291 -6.400 -5.707 1.00 0.00 C ATOM 396 CE3 TRP A 27 0.876 -4.571 -4.187 1.00 0.00 C ATOM 397 CZ2 TRP A 27 2.290 -5.689 -6.365 1.00 0.00 C ATOM 398 CZ3 TRP A 27 1.869 -3.866 -4.843 1.00 0.00 C ATOM 399 CH2 TRP A 27 2.565 -4.426 -5.920 1.00 0.00 C ATOM 0 H TRP A 27 1.270 -6.716 -1.536 1.00 0.00 H new ATOM 0 HA TRP A 27 -1.536 -6.873 -0.980 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -2.159 -7.505 -3.313 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -1.795 -5.804 -3.101 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -0.740 -8.849 -4.980 1.00 0.00 H new ATOM 0 HE1 TRP A 27 1.134 -8.296 -6.660 1.00 0.00 H new ATOM 0 HE3 TRP A 27 0.345 -4.131 -3.356 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 2.828 -6.119 -7.197 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 2.112 -2.865 -4.518 1.00 0.00 H new ATOM 0 HH2 TRP A 27 3.335 -3.849 -6.410 1.00 0.00 H new ATOM 410 N TRP A 28 -1.402 -9.398 -1.488 1.00 0.00 N ATOM 411 CA TRP A 28 -1.180 -10.836 -1.413 1.00 0.00 C ATOM 412 C TRP A 28 -2.429 -11.603 -1.828 1.00 0.00 C ATOM 413 O TRP A 28 -3.450 -11.008 -2.179 1.00 0.00 O ATOM 414 CB TRP A 28 -0.785 -11.221 0.007 1.00 0.00 C ATOM 415 CG TRP A 28 -1.778 -10.770 1.007 1.00 0.00 C ATOM 416 CD1 TRP A 28 -2.803 -11.496 1.508 1.00 0.00 C ATOM 417 CD2 TRP A 28 -1.849 -9.480 1.623 1.00 0.00 C ATOM 418 NE1 TRP A 28 -3.514 -10.743 2.395 1.00 0.00 N ATOM 419 CE2 TRP A 28 -2.949 -9.502 2.490 1.00 0.00 C ATOM 420 CE3 TRP A 28 -1.089 -8.312 1.527 1.00 0.00 C ATOM 421 CZ2 TRP A 28 -3.316 -8.404 3.262 1.00 0.00 C ATOM 422 CZ3 TRP A 28 -1.451 -7.220 2.293 1.00 0.00 C ATOM 423 CH2 TRP A 28 -2.555 -7.273 3.152 1.00 0.00 C ATOM 0 H TRP A 28 -2.377 -9.113 -1.393 1.00 0.00 H new ATOM 0 HA TRP A 28 -0.375 -11.097 -2.100 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -0.675 -12.304 0.070 1.00 0.00 H new ATOM 0 HB3 TRP A 28 0.187 -10.787 0.242 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -3.025 -12.520 1.245 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -4.338 -11.057 2.907 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -0.235 -8.263 0.867 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -4.169 -8.443 3.923 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -0.872 -6.310 2.228 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -2.811 -6.404 3.739 1.00 0.00 H new ATOM 434 N SER A 29 -2.341 -12.926 -1.781 1.00 0.00 N ATOM 435 CA SER A 29 -3.463 -13.782 -2.149 1.00 0.00 C ATOM 436 C SER A 29 -3.751 -14.802 -1.051 1.00 0.00 C ATOM 437 O SER A 29 -3.063 -15.816 -0.935 1.00 0.00 O ATOM 438 CB SER A 29 -3.172 -14.500 -3.469 1.00 0.00 C ATOM 439 OG SER A 29 -4.040 -14.050 -4.495 1.00 0.00 O ATOM 0 H SER A 29 -1.503 -13.431 -1.491 1.00 0.00 H new ATOM 0 HA SER A 29 -4.344 -13.153 -2.274 1.00 0.00 H new ATOM 0 HB2 SER A 29 -2.137 -14.325 -3.761 1.00 0.00 H new ATOM 0 HB3 SER A 29 -3.288 -15.575 -3.335 1.00 0.00 H new ATOM 0 HG SER A 29 -3.833 -14.522 -5.329 1.00 0.00 H new ATOM 445 N ASP A 30 -4.774 -14.525 -0.249 1.00 0.00 N ATOM 446 CA ASP A 30 -5.154 -15.418 0.840 1.00 0.00 C ATOM 447 C ASP A 30 -6.328 -16.302 0.431 1.00 0.00 C ATOM 448 O ASP A 30 -6.800 -16.239 -0.705 1.00 0.00 O ATOM 449 CB ASP A 30 -5.518 -14.611 2.088 1.00 0.00 C ATOM 450 CG ASP A 30 -6.480 -13.479 1.784 1.00 0.00 C ATOM 451 OD1 ASP A 30 -7.665 -13.765 1.512 1.00 0.00 O ATOM 452 OD2 ASP A 30 -6.048 -12.307 1.819 1.00 0.00 O ATOM 0 H ASP A 30 -5.354 -13.690 -0.332 1.00 0.00 H new ATOM 0 HA ASP A 30 -4.301 -16.058 1.067 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -5.964 -15.274 2.829 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -4.610 -14.203 2.531 1.00 0.00 H new ATOM 457 N HIS A 31 -6.795 -17.127 1.364 1.00 0.00 N ATOM 458 CA HIS A 31 -7.912 -18.025 1.100 1.00 0.00 C ATOM 459 C HIS A 31 -9.154 -17.242 0.680 1.00 0.00 C ATOM 460 O HIS A 31 -9.889 -17.657 -0.215 1.00 0.00 O ATOM 461 CB HIS A 31 -8.218 -18.869 2.339 1.00 0.00 C ATOM 462 CG HIS A 31 -8.729 -18.070 3.498 1.00 0.00 C ATOM 463 ND1 HIS A 31 -7.918 -17.270 4.277 1.00 0.00 N ATOM 464 CD2 HIS A 31 -9.977 -17.947 4.008 1.00 0.00 C ATOM 465 CE1 HIS A 31 -8.645 -16.691 5.215 1.00 0.00 C ATOM 466 NE2 HIS A 31 -9.898 -17.084 5.075 1.00 0.00 N ATOM 0 H HIS A 31 -6.416 -17.191 2.309 1.00 0.00 H new ATOM 0 HA HIS A 31 -7.629 -18.686 0.281 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -8.956 -19.628 2.078 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -7.313 -19.395 2.642 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -10.869 -18.436 3.644 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -8.277 -16.011 5.969 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -10.680 -16.794 5.663 1.00 0.00 H new ATOM 475 N ARG A 32 -9.381 -16.108 1.335 1.00 0.00 N ATOM 476 CA ARG A 32 -10.533 -15.267 1.031 1.00 0.00 C ATOM 477 C ARG A 32 -10.405 -14.651 -0.358 1.00 0.00 C ATOM 478 O ARG A 32 -11.403 -14.424 -1.042 1.00 0.00 O ATOM 479 CB ARG A 32 -10.676 -14.163 2.081 1.00 0.00 C ATOM 480 CG ARG A 32 -11.550 -14.557 3.262 1.00 0.00 C ATOM 481 CD ARG A 32 -12.838 -13.747 3.301 1.00 0.00 C ATOM 482 NE ARG A 32 -12.583 -12.322 3.491 1.00 0.00 N ATOM 483 CZ ARG A 32 -13.501 -11.453 3.909 1.00 0.00 C ATOM 484 NH1 ARG A 32 -14.735 -11.861 4.181 1.00 0.00 N ATOM 485 NH2 ARG A 32 -13.186 -10.174 4.055 1.00 0.00 N ATOM 0 H ARG A 32 -8.783 -15.750 2.080 1.00 0.00 H new ATOM 0 HA ARG A 32 -11.425 -15.894 1.050 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -9.686 -13.890 2.447 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -11.097 -13.275 1.608 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -11.789 -15.619 3.200 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -10.998 -14.408 4.190 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -13.388 -13.896 2.372 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -13.472 -14.113 4.109 1.00 0.00 H new ATOM 0 HE ARG A 32 -11.646 -11.971 3.292 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -14.983 -12.844 4.070 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -15.435 -11.191 4.501 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -12.240 -9.855 3.847 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -13.890 -9.509 4.375 1.00 0.00 H new ATOM 499 N GLY A 33 -9.169 -14.381 -0.769 1.00 0.00 N ATOM 500 CA GLY A 33 -8.933 -13.793 -2.075 1.00 0.00 C ATOM 501 C GLY A 33 -7.641 -13.003 -2.128 1.00 0.00 C ATOM 502 O GLY A 33 -6.571 -13.527 -1.822 1.00 0.00 O ATOM 0 H GLY A 33 -8.327 -14.559 -0.221 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -8.904 -14.582 -2.826 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -9.766 -13.139 -2.332 1.00 0.00 H new ATOM 506 N THR A 34 -7.740 -11.736 -2.521 1.00 0.00 N ATOM 507 CA THR A 34 -6.571 -10.870 -2.614 1.00 0.00 C ATOM 508 C THR A 34 -6.798 -9.566 -1.857 1.00 0.00 C ATOM 509 O THR A 34 -7.915 -9.050 -1.812 1.00 0.00 O ATOM 510 CB THR A 34 -6.247 -10.573 -4.080 1.00 0.00 C ATOM 511 OG1 THR A 34 -6.322 -11.755 -4.859 1.00 0.00 O ATOM 512 CG2 THR A 34 -4.871 -9.978 -4.281 1.00 0.00 C ATOM 0 H THR A 34 -8.619 -11.287 -2.780 1.00 0.00 H new ATOM 0 HA THR A 34 -5.727 -11.390 -2.160 1.00 0.00 H new ATOM 0 HB THR A 34 -6.990 -9.842 -4.397 1.00 0.00 H new ATOM 0 HG1 THR A 34 -5.569 -12.342 -4.637 1.00 0.00 H new ATOM 0 HG21 THR A 34 -4.706 -9.792 -5.342 1.00 0.00 H new ATOM 0 HG22 THR A 34 -4.797 -9.039 -3.732 1.00 0.00 H new ATOM 0 HG23 THR A 34 -4.117 -10.673 -3.913 1.00 0.00 H new ATOM 520 N ILE A 35 -5.733 -9.037 -1.262 1.00 0.00 N ATOM 521 CA ILE A 35 -5.821 -7.791 -0.509 1.00 0.00 C ATOM 522 C ILE A 35 -4.700 -6.832 -0.896 1.00 0.00 C ATOM 523 O ILE A 35 -3.657 -7.254 -1.395 1.00 0.00 O ATOM 524 CB ILE A 35 -5.763 -8.047 1.009 1.00 0.00 C ATOM 525 CG1 ILE A 35 -6.756 -9.143 1.402 1.00 0.00 C ATOM 526 CG2 ILE A 35 -6.050 -6.763 1.775 1.00 0.00 C ATOM 527 CD1 ILE A 35 -6.766 -9.447 2.885 1.00 0.00 C ATOM 0 H ILE A 35 -4.801 -9.451 -1.287 1.00 0.00 H new ATOM 0 HA ILE A 35 -6.781 -7.339 -0.757 1.00 0.00 H new ATOM 0 HB ILE A 35 -4.759 -8.384 1.268 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -7.757 -8.842 1.094 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -6.515 -10.054 0.854 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -6.005 -6.961 2.846 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -5.307 -6.010 1.514 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -7.044 -6.398 1.515 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -7.493 -10.233 3.090 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -5.775 -9.779 3.195 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -7.037 -8.548 3.439 1.00 0.00 H new ATOM 539 N ILE A 36 -4.926 -5.540 -0.668 1.00 0.00 N ATOM 540 CA ILE A 36 -3.939 -4.518 -1.001 1.00 0.00 C ATOM 541 C ILE A 36 -3.911 -3.406 0.049 1.00 0.00 C ATOM 542 O ILE A 36 -4.926 -2.749 0.289 1.00 0.00 O ATOM 543 CB ILE A 36 -4.238 -3.885 -2.377 1.00 0.00 C ATOM 544 CG1 ILE A 36 -5.688 -3.395 -2.435 1.00 0.00 C ATOM 545 CG2 ILE A 36 -3.963 -4.877 -3.498 1.00 0.00 C ATOM 546 CD1 ILE A 36 -5.826 -1.972 -2.927 1.00 0.00 C ATOM 0 H ILE A 36 -5.785 -5.177 -0.254 1.00 0.00 H new ATOM 0 HA ILE A 36 -2.969 -5.015 -1.028 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.577 -3.029 -2.512 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -6.260 -4.054 -3.089 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -6.129 -3.471 -1.441 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.180 -4.410 -4.459 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -2.916 -5.177 -3.469 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.596 -5.755 -3.370 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -6.880 -1.693 -2.942 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -5.283 -1.302 -2.261 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -5.416 -1.894 -3.934 1.00 0.00 H new ATOM 558 N GLU A 37 -2.750 -3.185 0.666 1.00 0.00 N ATOM 559 CA GLU A 37 -2.617 -2.137 1.675 1.00 0.00 C ATOM 560 C GLU A 37 -1.549 -1.125 1.266 1.00 0.00 C ATOM 561 O GLU A 37 -0.749 -1.383 0.369 1.00 0.00 O ATOM 562 CB GLU A 37 -2.275 -2.732 3.048 1.00 0.00 C ATOM 563 CG GLU A 37 -1.690 -4.133 2.992 1.00 0.00 C ATOM 564 CD GLU A 37 -1.215 -4.620 4.349 1.00 0.00 C ATOM 565 OE1 GLU A 37 -1.449 -3.910 5.350 1.00 0.00 O ATOM 566 OE2 GLU A 37 -0.612 -5.711 4.412 1.00 0.00 O ATOM 0 H GLU A 37 -1.896 -3.713 0.486 1.00 0.00 H new ATOM 0 HA GLU A 37 -3.577 -1.626 1.749 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -1.566 -2.074 3.550 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -3.178 -2.752 3.658 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -2.441 -4.822 2.605 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -0.855 -4.147 2.292 1.00 0.00 H new ATOM 573 N ARG A 38 -1.546 0.027 1.931 1.00 0.00 N ATOM 574 CA ARG A 38 -0.578 1.077 1.631 1.00 0.00 C ATOM 575 C ARG A 38 0.105 1.568 2.904 1.00 0.00 C ATOM 576 O ARG A 38 -0.139 1.047 3.992 1.00 0.00 O ATOM 577 CB ARG A 38 -1.260 2.252 0.923 1.00 0.00 C ATOM 578 CG ARG A 38 -2.373 1.834 -0.027 1.00 0.00 C ATOM 579 CD ARG A 38 -2.210 2.474 -1.397 1.00 0.00 C ATOM 580 NE ARG A 38 -3.443 2.415 -2.179 1.00 0.00 N ATOM 581 CZ ARG A 38 -3.939 1.295 -2.698 1.00 0.00 C ATOM 582 NH1 ARG A 38 -3.311 0.138 -2.524 1.00 0.00 N ATOM 583 NH2 ARG A 38 -5.066 1.331 -3.396 1.00 0.00 N ATOM 0 H ARG A 38 -2.201 0.256 2.679 1.00 0.00 H new ATOM 0 HA ARG A 38 0.178 0.654 0.970 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -1.670 2.928 1.673 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -0.510 2.813 0.365 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -2.376 0.749 -0.130 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -3.337 2.117 0.395 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -1.906 3.514 -1.277 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -1.412 1.969 -1.940 1.00 0.00 H new ATOM 0 HE ARG A 38 -3.954 3.284 -2.336 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -2.443 0.104 -1.990 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -3.697 -0.717 -2.925 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -5.552 2.217 -3.535 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -5.447 0.473 -3.794 1.00 0.00 H new ATOM 597 N GLY A 39 0.961 2.576 2.760 1.00 0.00 N ATOM 598 CA GLY A 39 1.664 3.123 3.904 1.00 0.00 C ATOM 599 C GLY A 39 2.797 4.046 3.500 1.00 0.00 C ATOM 600 O GLY A 39 3.085 4.202 2.314 1.00 0.00 O ATOM 0 H GLY A 39 1.179 3.023 1.870 1.00 0.00 H new ATOM 0 HA2 GLY A 39 0.960 3.670 4.532 1.00 0.00 H new ATOM 0 HA3 GLY A 39 2.062 2.307 4.507 1.00 0.00 H new ATOM 604 N CYS A 40 3.440 4.661 4.488 1.00 0.00 N ATOM 605 CA CYS A 40 4.545 5.575 4.229 1.00 0.00 C ATOM 606 C CYS A 40 5.872 4.967 4.677 1.00 0.00 C ATOM 607 O CYS A 40 6.179 4.935 5.869 1.00 0.00 O ATOM 608 CB CYS A 40 4.308 6.903 4.950 1.00 0.00 C ATOM 609 SG CYS A 40 3.446 8.151 3.939 1.00 0.00 S ATOM 0 H CYS A 40 3.214 4.542 5.476 1.00 0.00 H new ATOM 0 HA CYS A 40 4.595 5.754 3.155 1.00 0.00 H new ATOM 0 HB2 CYS A 40 3.726 6.716 5.852 1.00 0.00 H new ATOM 0 HB3 CYS A 40 5.268 7.308 5.268 1.00 0.00 H new ATOM 614 N GLY A 41 6.653 4.488 3.715 1.00 0.00 N ATOM 615 CA GLY A 41 7.938 3.891 4.031 1.00 0.00 C ATOM 616 C GLY A 41 8.358 2.844 3.016 1.00 0.00 C ATOM 617 O GLY A 41 7.971 2.909 1.850 1.00 0.00 O ATOM 0 H GLY A 41 6.420 4.502 2.722 1.00 0.00 H new ATOM 0 HA2 GLY A 41 8.696 4.672 4.077 1.00 0.00 H new ATOM 0 HA3 GLY A 41 7.890 3.435 5.020 1.00 0.00 H new ATOM 621 N CYS A 42 9.156 1.879 3.464 1.00 0.00 N ATOM 622 CA CYS A 42 9.633 0.812 2.590 1.00 0.00 C ATOM 623 C CYS A 42 10.098 -0.389 3.412 1.00 0.00 C ATOM 624 O CYS A 42 11.286 -0.712 3.440 1.00 0.00 O ATOM 625 CB CYS A 42 10.774 1.323 1.707 1.00 0.00 C ATOM 626 SG CYS A 42 11.190 0.223 0.313 1.00 0.00 S ATOM 0 H CYS A 42 9.486 1.814 4.427 1.00 0.00 H new ATOM 0 HA CYS A 42 8.809 0.494 1.952 1.00 0.00 H new ATOM 0 HB2 CYS A 42 10.503 2.303 1.314 1.00 0.00 H new ATOM 0 HB3 CYS A 42 11.662 1.461 2.324 1.00 0.00 H new ATOM 631 N PRO A 43 9.161 -1.066 4.100 1.00 0.00 N ATOM 632 CA PRO A 43 9.475 -2.230 4.932 1.00 0.00 C ATOM 633 C PRO A 43 9.641 -3.510 4.118 1.00 0.00 C ATOM 634 O PRO A 43 9.707 -3.473 2.889 1.00 0.00 O ATOM 635 CB PRO A 43 8.253 -2.333 5.842 1.00 0.00 C ATOM 636 CG PRO A 43 7.130 -1.808 5.016 1.00 0.00 C ATOM 637 CD PRO A 43 7.720 -0.742 4.128 1.00 0.00 C ATOM 0 HA PRO A 43 10.421 -2.113 5.460 1.00 0.00 H new ATOM 0 HB2 PRO A 43 8.072 -3.363 6.149 1.00 0.00 H new ATOM 0 HB3 PRO A 43 8.385 -1.747 6.752 1.00 0.00 H new ATOM 0 HG2 PRO A 43 6.679 -2.603 4.422 1.00 0.00 H new ATOM 0 HG3 PRO A 43 6.343 -1.396 5.647 1.00 0.00 H new ATOM 0 HD2 PRO A 43 7.285 -0.767 3.129 1.00 0.00 H new ATOM 0 HD3 PRO A 43 7.542 0.256 4.528 1.00 0.00 H new ATOM 645 N LYS A 44 9.708 -4.639 4.816 1.00 0.00 N ATOM 646 CA LYS A 44 9.867 -5.936 4.167 1.00 0.00 C ATOM 647 C LYS A 44 8.527 -6.658 4.060 1.00 0.00 C ATOM 648 O LYS A 44 7.481 -6.095 4.380 1.00 0.00 O ATOM 649 CB LYS A 44 10.864 -6.796 4.945 1.00 0.00 C ATOM 650 CG LYS A 44 10.445 -7.038 6.382 1.00 0.00 C ATOM 651 CD LYS A 44 10.046 -8.487 6.616 1.00 0.00 C ATOM 652 CE LYS A 44 8.950 -8.599 7.663 1.00 0.00 C ATOM 653 NZ LYS A 44 8.533 -10.011 7.883 1.00 0.00 N ATOM 0 H LYS A 44 9.655 -4.682 5.834 1.00 0.00 H new ATOM 0 HA LYS A 44 10.249 -5.769 3.160 1.00 0.00 H new ATOM 0 HB2 LYS A 44 10.979 -7.755 4.440 1.00 0.00 H new ATOM 0 HB3 LYS A 44 11.840 -6.310 4.934 1.00 0.00 H new ATOM 0 HG2 LYS A 44 11.265 -6.774 7.049 1.00 0.00 H new ATOM 0 HG3 LYS A 44 9.608 -6.385 6.632 1.00 0.00 H new ATOM 0 HD2 LYS A 44 9.703 -8.927 5.680 1.00 0.00 H new ATOM 0 HD3 LYS A 44 10.917 -9.058 6.937 1.00 0.00 H new ATOM 0 HE2 LYS A 44 9.302 -8.174 8.603 1.00 0.00 H new ATOM 0 HE3 LYS A 44 8.088 -8.011 7.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 7.784 -10.044 8.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 8.173 -10.410 6.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 9.350 -10.568 8.207 1.00 0.00 H new ATOM 667 N VAL A 45 8.565 -7.908 3.607 1.00 0.00 N ATOM 668 CA VAL A 45 7.352 -8.703 3.459 1.00 0.00 C ATOM 669 C VAL A 45 7.633 -10.189 3.651 1.00 0.00 C ATOM 670 O VAL A 45 8.774 -10.638 3.535 1.00 0.00 O ATOM 671 CB VAL A 45 6.705 -8.492 2.077 1.00 0.00 C ATOM 672 CG1 VAL A 45 6.056 -7.119 1.994 1.00 0.00 C ATOM 673 CG2 VAL A 45 7.732 -8.674 0.970 1.00 0.00 C ATOM 0 H VAL A 45 9.422 -8.391 3.337 1.00 0.00 H new ATOM 0 HA VAL A 45 6.663 -8.365 4.233 1.00 0.00 H new ATOM 0 HB VAL A 45 5.927 -9.244 1.944 1.00 0.00 H new ATOM 0 HG11 VAL A 45 5.605 -6.989 1.010 1.00 0.00 H new ATOM 0 HG12 VAL A 45 5.286 -7.034 2.761 1.00 0.00 H new ATOM 0 HG13 VAL A 45 6.812 -6.349 2.151 1.00 0.00 H new ATOM 0 HG21 VAL A 45 7.255 -8.521 0.002 1.00 0.00 H new ATOM 0 HG22 VAL A 45 8.536 -7.949 1.097 1.00 0.00 H new ATOM 0 HG23 VAL A 45 8.142 -9.683 1.017 1.00 0.00 H new ATOM 683 N LYS A 46 6.583 -10.946 3.949 1.00 0.00 N ATOM 684 CA LYS A 46 6.699 -12.376 4.162 1.00 0.00 C ATOM 685 C LYS A 46 6.767 -13.119 2.828 1.00 0.00 C ATOM 686 O LYS A 46 6.571 -12.521 1.770 1.00 0.00 O ATOM 687 CB LYS A 46 5.512 -12.877 4.990 1.00 0.00 C ATOM 688 CG LYS A 46 5.739 -12.792 6.491 1.00 0.00 C ATOM 689 CD LYS A 46 5.999 -14.161 7.099 1.00 0.00 C ATOM 690 CE LYS A 46 6.814 -14.059 8.378 1.00 0.00 C ATOM 691 NZ LYS A 46 8.231 -14.466 8.166 1.00 0.00 N ATOM 0 H LYS A 46 5.634 -10.584 4.048 1.00 0.00 H new ATOM 0 HA LYS A 46 7.622 -12.573 4.707 1.00 0.00 H new ATOM 0 HB2 LYS A 46 4.627 -12.295 4.731 1.00 0.00 H new ATOM 0 HB3 LYS A 46 5.303 -13.912 4.720 1.00 0.00 H new ATOM 0 HG2 LYS A 46 6.586 -12.137 6.694 1.00 0.00 H new ATOM 0 HG3 LYS A 46 4.867 -12.343 6.966 1.00 0.00 H new ATOM 0 HD2 LYS A 46 5.049 -14.652 7.310 1.00 0.00 H new ATOM 0 HD3 LYS A 46 6.528 -14.785 6.379 1.00 0.00 H new ATOM 0 HE2 LYS A 46 6.782 -13.034 8.749 1.00 0.00 H new ATOM 0 HE3 LYS A 46 6.366 -14.690 9.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 8.754 -14.383 9.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 8.263 -15.452 7.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 8.667 -13.848 7.452 1.00 0.00 H new ATOM 705 N PRO A 47 7.044 -14.438 2.854 1.00 0.00 N ATOM 706 CA PRO A 47 7.127 -15.235 1.642 1.00 0.00 C ATOM 707 C PRO A 47 5.750 -15.548 1.068 1.00 0.00 C ATOM 708 O PRO A 47 5.098 -16.511 1.471 1.00 0.00 O ATOM 709 CB PRO A 47 7.839 -16.517 2.080 1.00 0.00 C ATOM 710 CG PRO A 47 7.895 -16.514 3.563 1.00 0.00 C ATOM 711 CD PRO A 47 7.284 -15.237 4.060 1.00 0.00 C ATOM 0 HA PRO A 47 7.656 -14.707 0.848 1.00 0.00 H new ATOM 0 HB2 PRO A 47 7.304 -17.395 1.719 1.00 0.00 H new ATOM 0 HB3 PRO A 47 8.843 -16.560 1.659 1.00 0.00 H new ATOM 0 HG2 PRO A 47 7.357 -17.373 3.964 1.00 0.00 H new ATOM 0 HG3 PRO A 47 8.927 -16.598 3.903 1.00 0.00 H new ATOM 0 HD2 PRO A 47 6.356 -15.427 4.599 1.00 0.00 H new ATOM 0 HD3 PRO A 47 7.953 -14.721 4.749 1.00 0.00 H new ATOM 719 N GLY A 48 5.314 -14.717 0.127 1.00 0.00 N ATOM 720 CA GLY A 48 4.017 -14.900 -0.495 1.00 0.00 C ATOM 721 C GLY A 48 3.364 -13.576 -0.831 1.00 0.00 C ATOM 722 O GLY A 48 2.880 -13.374 -1.945 1.00 0.00 O ATOM 0 H GLY A 48 5.841 -13.914 -0.217 1.00 0.00 H new ATOM 0 HA2 GLY A 48 4.130 -15.491 -1.404 1.00 0.00 H new ATOM 0 HA3 GLY A 48 3.369 -15.466 0.175 1.00 0.00 H new ATOM 726 N VAL A 49 3.364 -12.674 0.138 1.00 0.00 N ATOM 727 CA VAL A 49 2.783 -11.353 -0.036 1.00 0.00 C ATOM 728 C VAL A 49 3.742 -10.433 -0.791 1.00 0.00 C ATOM 729 O VAL A 49 4.945 -10.423 -0.527 1.00 0.00 O ATOM 730 CB VAL A 49 2.434 -10.732 1.330 1.00 0.00 C ATOM 731 CG1 VAL A 49 3.625 -10.796 2.268 1.00 0.00 C ATOM 732 CG2 VAL A 49 1.945 -9.299 1.176 1.00 0.00 C ATOM 0 H VAL A 49 3.764 -12.836 1.062 1.00 0.00 H new ATOM 0 HA VAL A 49 1.870 -11.463 -0.621 1.00 0.00 H new ATOM 0 HB VAL A 49 1.622 -11.316 1.765 1.00 0.00 H new ATOM 0 HG11 VAL A 49 3.357 -10.352 3.227 1.00 0.00 H new ATOM 0 HG12 VAL A 49 3.915 -11.836 2.418 1.00 0.00 H new ATOM 0 HG13 VAL A 49 4.460 -10.246 1.834 1.00 0.00 H new ATOM 0 HG21 VAL A 49 1.707 -8.888 2.157 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.725 -8.697 0.710 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.053 -9.284 0.550 1.00 0.00 H new ATOM 742 N ASN A 50 3.202 -9.674 -1.740 1.00 0.00 N ATOM 743 CA ASN A 50 4.009 -8.761 -2.544 1.00 0.00 C ATOM 744 C ASN A 50 4.015 -7.352 -1.957 1.00 0.00 C ATOM 745 O ASN A 50 3.126 -6.980 -1.191 1.00 0.00 O ATOM 746 CB ASN A 50 3.482 -8.717 -3.980 1.00 0.00 C ATOM 747 CG ASN A 50 3.183 -10.098 -4.532 1.00 0.00 C ATOM 748 OD1 ASN A 50 4.012 -10.701 -5.213 1.00 0.00 O ATOM 749 ND2 ASN A 50 1.990 -10.606 -4.239 1.00 0.00 N ATOM 0 H ASN A 50 2.209 -9.673 -1.971 1.00 0.00 H new ATOM 0 HA ASN A 50 5.033 -9.135 -2.540 1.00 0.00 H new ATOM 0 HB2 ASN A 50 2.576 -8.112 -4.013 1.00 0.00 H new ATOM 0 HB3 ASN A 50 4.216 -8.225 -4.618 1.00 0.00 H new ATOM 0 HD21 ASN A 50 1.731 -11.531 -4.582 1.00 0.00 H new ATOM 0 HD22 ASN A 50 1.333 -10.071 -3.671 1.00 0.00 H new ATOM 756 N LEU A 51 5.029 -6.577 -2.328 1.00 0.00 N ATOM 757 CA LEU A 51 5.172 -5.208 -1.855 1.00 0.00 C ATOM 758 C LEU A 51 6.095 -4.420 -2.781 1.00 0.00 C ATOM 759 O LEU A 51 7.034 -4.977 -3.351 1.00 0.00 O ATOM 760 CB LEU A 51 5.727 -5.203 -0.431 1.00 0.00 C ATOM 761 CG LEU A 51 6.121 -3.831 0.111 1.00 0.00 C ATOM 762 CD1 LEU A 51 4.893 -3.083 0.599 1.00 0.00 C ATOM 763 CD2 LEU A 51 7.143 -3.982 1.225 1.00 0.00 C ATOM 0 H LEU A 51 5.770 -6.879 -2.961 1.00 0.00 H new ATOM 0 HA LEU A 51 4.191 -4.733 -1.855 1.00 0.00 H new ATOM 0 HB2 LEU A 51 4.980 -5.637 0.234 1.00 0.00 H new ATOM 0 HB3 LEU A 51 6.601 -5.853 -0.397 1.00 0.00 H new ATOM 0 HG LEU A 51 6.574 -3.250 -0.693 1.00 0.00 H new ATOM 0 HD11 LEU A 51 5.190 -2.107 0.982 1.00 0.00 H new ATOM 0 HD12 LEU A 51 4.195 -2.951 -0.228 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.411 -3.653 1.393 1.00 0.00 H new ATOM 0 HD21 LEU A 51 7.417 -2.997 1.604 1.00 0.00 H new ATOM 0 HD22 LEU A 51 6.715 -4.576 2.033 1.00 0.00 H new ATOM 0 HD23 LEU A 51 8.031 -4.482 0.839 1.00 0.00 H new ATOM 775 N ASN A 52 5.828 -3.126 -2.933 1.00 0.00 N ATOM 776 CA ASN A 52 6.649 -2.283 -3.796 1.00 0.00 C ATOM 777 C ASN A 52 6.629 -0.823 -3.344 1.00 0.00 C ATOM 778 O ASN A 52 5.571 -0.201 -3.256 1.00 0.00 O ATOM 779 CB ASN A 52 6.185 -2.409 -5.256 1.00 0.00 C ATOM 780 CG ASN A 52 5.136 -1.382 -5.651 1.00 0.00 C ATOM 781 OD1 ASN A 52 4.008 -1.379 -4.949 1.00 0.00 O flip ATOM 782 ND2 ASN A 52 5.339 -0.598 -6.578 1.00 0.00 N flip ATOM 0 H ASN A 52 5.056 -2.642 -2.474 1.00 0.00 H new ATOM 0 HA ASN A 52 7.680 -2.630 -3.722 1.00 0.00 H new ATOM 0 HB2 ASN A 52 7.048 -2.306 -5.913 1.00 0.00 H new ATOM 0 HB3 ASN A 52 5.781 -3.409 -5.415 1.00 0.00 H new ATOM 0 HD21 ASN A 52 6.219 -0.633 -7.092 1.00 0.00 H new ATOM 0 HD22 ASN A 52 4.627 0.087 -6.832 1.00 0.00 H new ATOM 789 N CYS A 53 7.813 -0.282 -3.062 1.00 0.00 N ATOM 790 CA CYS A 53 7.946 1.097 -2.627 1.00 0.00 C ATOM 791 C CYS A 53 8.084 2.026 -3.829 1.00 0.00 C ATOM 792 O CYS A 53 8.510 1.607 -4.905 1.00 0.00 O ATOM 793 CB CYS A 53 9.161 1.239 -1.712 1.00 0.00 C ATOM 794 SG CYS A 53 9.398 -0.157 -0.561 1.00 0.00 S ATOM 0 H CYS A 53 8.697 -0.787 -3.129 1.00 0.00 H new ATOM 0 HA CYS A 53 7.049 1.377 -2.075 1.00 0.00 H new ATOM 0 HB2 CYS A 53 10.055 1.344 -2.327 1.00 0.00 H new ATOM 0 HB3 CYS A 53 9.062 2.158 -1.135 1.00 0.00 H new ATOM 799 N CYS A 54 7.713 3.286 -3.641 1.00 0.00 N ATOM 800 CA CYS A 54 7.786 4.275 -4.710 1.00 0.00 C ATOM 801 C CYS A 54 7.778 5.679 -4.156 1.00 0.00 C ATOM 802 O CYS A 54 7.333 5.928 -3.036 1.00 0.00 O ATOM 803 CB CYS A 54 6.634 4.089 -5.698 1.00 0.00 C ATOM 804 SG CYS A 54 5.064 3.581 -4.923 1.00 0.00 S ATOM 0 H CYS A 54 7.358 3.648 -2.756 1.00 0.00 H new ATOM 0 HA CYS A 54 8.727 4.123 -5.238 1.00 0.00 H new ATOM 0 HB2 CYS A 54 6.476 5.024 -6.235 1.00 0.00 H new ATOM 0 HB3 CYS A 54 6.921 3.341 -6.437 1.00 0.00 H new ATOM 809 N ARG A 55 8.310 6.586 -4.950 1.00 0.00 N ATOM 810 CA ARG A 55 8.421 7.970 -4.569 1.00 0.00 C ATOM 811 C ARG A 55 7.648 8.877 -5.526 1.00 0.00 C ATOM 812 O ARG A 55 8.103 9.971 -5.859 1.00 0.00 O ATOM 813 CB ARG A 55 9.899 8.346 -4.550 1.00 0.00 C ATOM 814 CG ARG A 55 10.846 7.185 -4.824 1.00 0.00 C ATOM 815 CD ARG A 55 12.268 7.513 -4.403 1.00 0.00 C ATOM 816 NE ARG A 55 12.686 8.821 -4.889 1.00 0.00 N ATOM 817 CZ ARG A 55 13.901 9.330 -4.704 1.00 0.00 C ATOM 818 NH1 ARG A 55 14.823 8.641 -4.042 1.00 0.00 N ATOM 819 NH2 ARG A 55 14.197 10.531 -5.182 1.00 0.00 N ATOM 0 H ARG A 55 8.677 6.379 -5.879 1.00 0.00 H new ATOM 0 HA ARG A 55 7.986 8.107 -3.579 1.00 0.00 H new ATOM 0 HB2 ARG A 55 10.073 9.124 -5.293 1.00 0.00 H new ATOM 0 HB3 ARG A 55 10.140 8.774 -3.577 1.00 0.00 H new ATOM 0 HG2 ARG A 55 10.502 6.300 -4.289 1.00 0.00 H new ATOM 0 HG3 ARG A 55 10.827 6.942 -5.886 1.00 0.00 H new ATOM 0 HD2 ARG A 55 12.340 7.489 -3.316 1.00 0.00 H new ATOM 0 HD3 ARG A 55 12.946 6.749 -4.785 1.00 0.00 H new ATOM 0 HE ARG A 55 12.005 9.381 -5.403 1.00 0.00 H new ATOM 0 HH11 ARG A 55 14.601 7.717 -3.672 1.00 0.00 H new ATOM 0 HH12 ARG A 55 15.753 9.036 -3.903 1.00 0.00 H new ATOM 0 HH21 ARG A 55 13.493 11.065 -5.692 1.00 0.00 H new ATOM 0 HH22 ARG A 55 15.129 10.921 -5.040 1.00 0.00 H new ATOM 833 N THR A 56 6.477 8.420 -5.962 1.00 0.00 N ATOM 834 CA THR A 56 5.649 9.200 -6.876 1.00 0.00 C ATOM 835 C THR A 56 4.252 9.412 -6.301 1.00 0.00 C ATOM 836 O THR A 56 3.786 8.629 -5.474 1.00 0.00 O ATOM 837 CB THR A 56 5.553 8.502 -8.234 1.00 0.00 C ATOM 838 OG1 THR A 56 6.765 7.836 -8.541 1.00 0.00 O ATOM 839 CG2 THR A 56 5.250 9.450 -9.374 1.00 0.00 C ATOM 0 H THR A 56 6.082 7.517 -5.698 1.00 0.00 H new ATOM 0 HA THR A 56 6.119 10.174 -7.008 1.00 0.00 H new ATOM 0 HB THR A 56 4.727 7.797 -8.139 1.00 0.00 H new ATOM 0 HG1 THR A 56 6.684 7.394 -9.412 1.00 0.00 H new ATOM 0 HG21 THR A 56 5.196 8.890 -10.308 1.00 0.00 H new ATOM 0 HG22 THR A 56 4.296 9.945 -9.192 1.00 0.00 H new ATOM 0 HG23 THR A 56 6.040 10.198 -9.445 1.00 0.00 H new ATOM 847 N ASP A 57 3.590 10.476 -6.744 1.00 0.00 N ATOM 848 CA ASP A 57 2.246 10.789 -6.273 1.00 0.00 C ATOM 849 C ASP A 57 1.251 9.730 -6.735 1.00 0.00 C ATOM 850 O ASP A 57 1.173 9.415 -7.922 1.00 0.00 O ATOM 851 CB ASP A 57 1.813 12.167 -6.777 1.00 0.00 C ATOM 852 CG ASP A 57 1.033 12.945 -5.734 1.00 0.00 C ATOM 853 OD1 ASP A 57 -0.090 12.518 -5.394 1.00 0.00 O ATOM 854 OD2 ASP A 57 1.546 13.979 -5.258 1.00 0.00 O ATOM 0 H ASP A 57 3.962 11.135 -7.428 1.00 0.00 H new ATOM 0 HA ASP A 57 2.262 10.799 -5.183 1.00 0.00 H new ATOM 0 HB2 ASP A 57 2.695 12.738 -7.068 1.00 0.00 H new ATOM 0 HB3 ASP A 57 1.201 12.048 -7.671 1.00 0.00 H new ATOM 859 N ARG A 58 0.495 9.180 -5.790 1.00 0.00 N ATOM 860 CA ARG A 58 -0.490 8.153 -6.105 1.00 0.00 C ATOM 861 C ARG A 58 0.180 6.938 -6.739 1.00 0.00 C ATOM 862 O ARG A 58 -0.432 6.220 -7.529 1.00 0.00 O ATOM 863 CB ARG A 58 -1.555 8.712 -7.049 1.00 0.00 C ATOM 864 CG ARG A 58 -2.307 9.905 -6.479 1.00 0.00 C ATOM 865 CD ARG A 58 -3.494 10.285 -7.351 1.00 0.00 C ATOM 866 NE ARG A 58 -3.541 11.721 -7.615 1.00 0.00 N ATOM 867 CZ ARG A 58 -4.336 12.282 -8.525 1.00 0.00 C ATOM 868 NH1 ARG A 58 -5.150 11.532 -9.258 1.00 0.00 N ATOM 869 NH2 ARG A 58 -4.315 13.596 -8.703 1.00 0.00 N ATOM 0 H ARG A 58 0.546 9.428 -4.802 1.00 0.00 H new ATOM 0 HA ARG A 58 -0.966 7.841 -5.175 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -1.081 9.006 -7.985 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -2.268 7.923 -7.287 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -2.654 9.671 -5.473 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -1.631 10.755 -6.393 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -3.438 9.744 -8.296 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -4.417 9.976 -6.861 1.00 0.00 H new ATOM 0 HE ARG A 58 -2.929 12.330 -7.071 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -5.169 10.521 -9.126 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -5.756 11.967 -9.953 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -3.690 14.177 -8.143 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -4.923 14.026 -9.400 1.00 0.00 H new ATOM 883 N CYS A 59 1.444 6.719 -6.390 1.00 0.00 N ATOM 884 CA CYS A 59 2.205 5.602 -6.923 1.00 0.00 C ATOM 885 C CYS A 59 1.645 4.265 -6.440 1.00 0.00 C ATOM 886 O CYS A 59 1.764 3.247 -7.124 1.00 0.00 O ATOM 887 CB CYS A 59 3.674 5.739 -6.520 1.00 0.00 C ATOM 888 SG CYS A 59 4.021 5.315 -4.782 1.00 0.00 S ATOM 0 H CYS A 59 1.962 7.306 -5.736 1.00 0.00 H new ATOM 0 HA CYS A 59 2.124 5.621 -8.010 1.00 0.00 H new ATOM 0 HB2 CYS A 59 4.276 5.099 -7.165 1.00 0.00 H new ATOM 0 HB3 CYS A 59 3.994 6.765 -6.702 1.00 0.00 H new ATOM 893 N ASN A 60 1.039 4.272 -5.256 1.00 0.00 N ATOM 894 CA ASN A 60 0.465 3.059 -4.680 1.00 0.00 C ATOM 895 C ASN A 60 -1.047 3.020 -4.875 1.00 0.00 C ATOM 896 O ASN A 60 -1.758 2.336 -4.139 1.00 0.00 O ATOM 897 CB ASN A 60 0.800 2.975 -3.190 1.00 0.00 C ATOM 898 CG ASN A 60 0.263 4.160 -2.410 1.00 0.00 C ATOM 899 OD1 ASN A 60 -0.557 4.928 -2.912 1.00 0.00 O ATOM 900 ND2 ASN A 60 0.727 4.313 -1.175 1.00 0.00 N ATOM 0 H ASN A 60 0.933 5.104 -4.676 1.00 0.00 H new ATOM 0 HA ASN A 60 0.898 2.202 -5.196 1.00 0.00 H new ATOM 0 HB2 ASN A 60 0.386 2.055 -2.778 1.00 0.00 H new ATOM 0 HB3 ASN A 60 1.882 2.921 -3.066 1.00 0.00 H new ATOM 0 HD21 ASN A 60 0.404 5.092 -0.602 1.00 0.00 H new ATOM 0 HD22 ASN A 60 1.407 3.651 -0.800 1.00 0.00 H new ATOM 907 N ASN A 61 -1.536 3.758 -5.868 1.00 0.00 N ATOM 908 CA ASN A 61 -2.961 3.807 -6.155 1.00 0.00 C ATOM 909 C ASN A 61 -3.468 2.452 -6.639 1.00 0.00 C ATOM 910 O ASN A 61 -2.666 1.494 -6.661 1.00 0.00 O ATOM 911 CB ASN A 61 -3.240 4.878 -7.207 1.00 0.00 C ATOM 912 CG ASN A 61 -2.552 4.588 -8.526 1.00 0.00 C ATOM 913 OD1 ASN A 61 -1.742 3.665 -8.629 1.00 0.00 O ATOM 914 ND2 ASN A 61 -2.871 5.376 -9.546 1.00 0.00 N ATOM 915 OXT ASN A 61 -4.663 2.360 -6.991 1.00 0.00 O ATOM 0 H ASN A 61 -0.962 4.331 -6.487 1.00 0.00 H new ATOM 0 HA ASN A 61 -3.489 4.058 -5.235 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -4.315 4.951 -7.370 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -2.908 5.846 -6.832 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -2.440 5.228 -10.459 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -3.547 6.129 -9.417 1.00 0.00 H new TER 922 ASN A 61