USER MOD reduce.3.24.130724 H: found=0, std=0, add=582, rem=0, adj=30 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 13 HIS : no HE2:sc=-0.00315 K(o=2.3,f=1.5) USER MOD Set 1.2: A 17 CYS SG : rot -156:sc= 0.336 USER MOD Set 1.3: A 65 SER OG : rot 112:sc= 0.756 USER MOD Set 1.4: A 69 TYR OH : rot 8:sc= 1.16 USER MOD Single : A 1 ASN : amide:sc= -0.251 X(o=-0.25,f=-0.007) USER MOD Single : A 1 ASN N :NH3+ 167:sc= -0.17 (180deg=-0.344) USER MOD Single : A 3 SER OG : rot 180:sc= 0.0741 USER MOD Single : A 4 THR OG1 : rot 26:sc= 1 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 MET CE :methyl -175:sc= -0.522 (180deg=-0.682) USER MOD Single : A 14 CYS SG : rot -152:sc= 0.228 USER MOD Single : A 15 LYS NZ :NH3+ 144:sc= 1.13 (180deg=-0.847!) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -1.11 K(o=-1.1,f=-0.012) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 85:sc= 0.0864 USER MOD Single : A 26 SER OG : rot -38:sc= 0.984 USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 TYR OH : rot 30:sc= 0 USER MOD Single : A 32 SER OG : rot -39:sc= 0.00166 USER MOD Single : A 33 SER OG : rot 35:sc= 1.26 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= -0.436 K(o=-0.44,f=-0.95) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot -161:sc= 0.474 USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=-0.028) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.231 USER MOD Single : A 56 SER OG : rot 83:sc= 0.0545 USER MOD Single : A 59 LYS NZ :NH3+ 169:sc= 1.26 (180deg=1.15) USER MOD Single : A 72 SER OG : rot 13:sc= 0.188 USER MOD Single : A 74 THR OG1 : rot 170:sc= -0.0934 USER MOD Single : A 75 SER OG : rot 49:sc= 0.482 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 -12.678 -14.122 -5.983 1.00 0.00 N ATOM 2 CA ASN A 1 -13.359 -12.819 -6.159 1.00 0.00 C ATOM 3 C ASN A 1 -12.525 -11.643 -5.586 1.00 0.00 C ATOM 4 O ASN A 1 -13.033 -10.606 -5.160 1.00 0.00 O ATOM 5 CB ASN A 1 -14.818 -12.871 -5.653 1.00 0.00 C ATOM 6 CG ASN A 1 -15.716 -11.800 -6.268 1.00 0.00 C ATOM 7 OD1 ASN A 1 -16.408 -11.059 -5.583 1.00 0.00 O ATOM 8 ND2 ASN A 1 -15.774 -11.705 -7.586 1.00 0.00 N ATOM 0 H1 ASN A 1 -13.349 -14.893 -6.173 1.00 0.00 H new ATOM 0 H2 ASN A 1 -11.879 -14.188 -6.645 1.00 0.00 H new ATOM 0 H3 ASN A 1 -12.327 -14.201 -5.007 1.00 0.00 H new ATOM 0 HA ASN A 1 -13.429 -12.615 -7.227 1.00 0.00 H new ATOM 0 HB2 ASN A 1 -15.235 -13.854 -5.873 1.00 0.00 H new ATOM 0 HB3 ASN A 1 -14.822 -12.758 -4.569 1.00 0.00 H new ATOM 0 HD21 ASN A 1 -16.391 -11.019 -8.021 1.00 0.00 H new ATOM 0 HD22 ASN A 1 -15.202 -12.317 -8.167 1.00 0.00 H new ATOM 15 N ASP A 2 -11.212 -11.851 -5.561 1.00 0.00 N ATOM 16 CA ASP A 2 -10.156 -10.899 -5.256 1.00 0.00 C ATOM 17 C ASP A 2 -10.057 -9.744 -6.272 1.00 0.00 C ATOM 18 O ASP A 2 -10.430 -9.848 -7.437 1.00 0.00 O ATOM 19 CB ASP A 2 -8.826 -11.667 -5.089 1.00 0.00 C ATOM 20 CG ASP A 2 -8.611 -12.799 -6.114 1.00 0.00 C ATOM 21 OD1 ASP A 2 -9.369 -13.802 -6.034 1.00 0.00 O ATOM 22 OD2 ASP A 2 -7.694 -12.670 -6.950 1.00 0.00 O ATOM 0 H ASP A 2 -10.829 -12.772 -5.773 1.00 0.00 H new ATOM 0 HA ASP A 2 -10.401 -10.402 -4.317 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -8.000 -10.960 -5.168 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -8.788 -12.090 -4.085 1.00 0.00 H new ATOM 27 N SER A 3 -9.554 -8.613 -5.788 1.00 0.00 N ATOM 28 CA SER A 3 -9.242 -7.398 -6.527 1.00 0.00 C ATOM 29 C SER A 3 -7.759 -7.029 -6.354 1.00 0.00 C ATOM 30 O SER A 3 -6.974 -7.748 -5.729 1.00 0.00 O ATOM 31 CB SER A 3 -10.118 -6.243 -6.007 1.00 0.00 C ATOM 32 OG SER A 3 -10.209 -5.202 -6.968 1.00 0.00 O ATOM 0 H SER A 3 -9.339 -8.516 -4.796 1.00 0.00 H new ATOM 0 HA SER A 3 -9.442 -7.570 -7.585 1.00 0.00 H new ATOM 0 HB2 SER A 3 -11.115 -6.615 -5.773 1.00 0.00 H new ATOM 0 HB3 SER A 3 -9.698 -5.852 -5.080 1.00 0.00 H new ATOM 0 HG SER A 3 -10.771 -4.481 -6.616 1.00 0.00 H new ATOM 38 N THR A 4 -7.350 -5.873 -6.883 1.00 0.00 N ATOM 39 CA THR A 4 -5.961 -5.397 -6.878 1.00 0.00 C ATOM 40 C THR A 4 -5.923 -3.913 -7.179 1.00 0.00 C ATOM 41 O THR A 4 -6.721 -3.401 -7.959 1.00 0.00 O ATOM 42 CB THR A 4 -5.098 -6.207 -7.865 1.00 0.00 C ATOM 43 OG1 THR A 4 -4.738 -7.394 -7.223 1.00 0.00 O ATOM 44 CG2 THR A 4 -3.769 -5.573 -8.288 1.00 0.00 C ATOM 0 H THR A 4 -7.991 -5.224 -7.339 1.00 0.00 H new ATOM 0 HA THR A 4 -5.536 -5.550 -5.886 1.00 0.00 H new ATOM 0 HB THR A 4 -5.712 -6.304 -8.760 1.00 0.00 H new ATOM 0 HG1 THR A 4 -5.407 -7.613 -6.542 1.00 0.00 H new ATOM 0 HG21 THR A 4 -3.254 -6.237 -8.982 1.00 0.00 H new ATOM 0 HG22 THR A 4 -3.961 -4.617 -8.775 1.00 0.00 H new ATOM 0 HG23 THR A 4 -3.146 -5.414 -7.408 1.00 0.00 H new ATOM 52 N ALA A 5 -4.946 -3.237 -6.582 1.00 0.00 N ATOM 53 CA ALA A 5 -4.576 -1.861 -6.885 1.00 0.00 C ATOM 54 C ALA A 5 -3.078 -1.618 -6.635 1.00 0.00 C ATOM 55 O ALA A 5 -2.431 -2.356 -5.874 1.00 0.00 O ATOM 56 CB ALA A 5 -5.453 -0.923 -6.052 1.00 0.00 C ATOM 0 H ALA A 5 -4.370 -3.649 -5.848 1.00 0.00 H new ATOM 0 HA ALA A 5 -4.746 -1.660 -7.943 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -5.187 0.112 -6.269 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -6.501 -1.088 -6.301 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -5.296 -1.124 -4.992 1.00 0.00 H new ATOM 62 N THR A 6 -2.549 -0.566 -7.276 1.00 0.00 N ATOM 63 CA THR A 6 -1.142 -0.160 -7.197 1.00 0.00 C ATOM 64 C THR A 6 -1.027 1.252 -6.652 1.00 0.00 C ATOM 65 O THR A 6 -1.756 2.151 -7.067 1.00 0.00 O ATOM 66 CB THR A 6 -0.468 -0.215 -8.565 1.00 0.00 C ATOM 67 OG1 THR A 6 -0.685 -1.477 -9.146 1.00 0.00 O ATOM 68 CG2 THR A 6 1.039 -0.004 -8.450 1.00 0.00 C ATOM 0 H THR A 6 -3.104 0.041 -7.879 1.00 0.00 H new ATOM 0 HA THR A 6 -0.641 -0.859 -6.527 1.00 0.00 H new ATOM 0 HB THR A 6 -0.897 0.578 -9.177 1.00 0.00 H new ATOM 0 HG1 THR A 6 -0.253 -1.511 -10.025 1.00 0.00 H new ATOM 0 HG21 THR A 6 1.489 -0.049 -9.442 1.00 0.00 H new ATOM 0 HG22 THR A 6 1.237 0.971 -8.005 1.00 0.00 H new ATOM 0 HG23 THR A 6 1.469 -0.784 -7.821 1.00 0.00 H new ATOM 76 N PHE A 7 -0.064 1.446 -5.757 1.00 0.00 N ATOM 77 CA PHE A 7 0.129 2.696 -5.025 1.00 0.00 C ATOM 78 C PHE A 7 1.599 3.111 -4.932 1.00 0.00 C ATOM 79 O PHE A 7 2.494 2.269 -4.858 1.00 0.00 O ATOM 80 CB PHE A 7 -0.468 2.594 -3.618 1.00 0.00 C ATOM 81 CG PHE A 7 -1.866 1.993 -3.540 1.00 0.00 C ATOM 82 CD1 PHE A 7 -2.085 0.597 -3.528 1.00 0.00 C ATOM 83 CD2 PHE A 7 -2.976 2.856 -3.536 1.00 0.00 C ATOM 84 CE1 PHE A 7 -3.388 0.085 -3.533 1.00 0.00 C ATOM 85 CE2 PHE A 7 -4.281 2.340 -3.537 1.00 0.00 C ATOM 86 CZ PHE A 7 -4.488 0.956 -3.529 1.00 0.00 C ATOM 0 H PHE A 7 0.617 0.727 -5.515 1.00 0.00 H new ATOM 0 HA PHE A 7 -0.391 3.468 -5.592 1.00 0.00 H new ATOM 0 HB2 PHE A 7 0.201 1.994 -3.001 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -0.496 3.592 -3.181 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -1.243 -0.079 -3.515 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -2.823 3.925 -3.532 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -3.547 -0.983 -3.540 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -5.127 3.012 -3.544 1.00 0.00 H new ATOM 0 HZ PHE A 7 -5.492 0.559 -3.520 1.00 0.00 H new ATOM 96 N ILE A 8 1.855 4.419 -4.887 1.00 0.00 N ATOM 97 CA ILE A 8 3.197 4.997 -4.893 1.00 0.00 C ATOM 98 C ILE A 8 3.334 6.143 -3.899 1.00 0.00 C ATOM 99 O ILE A 8 2.433 6.968 -3.789 1.00 0.00 O ATOM 100 CB ILE A 8 3.557 5.408 -6.333 1.00 0.00 C ATOM 101 CG1 ILE A 8 5.062 5.705 -6.412 1.00 0.00 C ATOM 102 CG2 ILE A 8 2.721 6.573 -6.899 1.00 0.00 C ATOM 103 CD1 ILE A 8 5.656 5.361 -7.779 1.00 0.00 C ATOM 0 H ILE A 8 1.117 5.121 -4.844 1.00 0.00 H new ATOM 0 HA ILE A 8 3.913 4.246 -4.558 1.00 0.00 H new ATOM 0 HB ILE A 8 3.305 4.563 -6.973 1.00 0.00 H new ATOM 0 HG12 ILE A 8 5.232 6.761 -6.201 1.00 0.00 H new ATOM 0 HG13 ILE A 8 5.582 5.138 -5.640 1.00 0.00 H new ATOM 0 HG21 ILE A 8 3.045 6.792 -7.916 1.00 0.00 H new ATOM 0 HG22 ILE A 8 1.667 6.295 -6.905 1.00 0.00 H new ATOM 0 HG23 ILE A 8 2.859 7.457 -6.276 1.00 0.00 H new ATOM 0 HD11 ILE A 8 6.722 5.590 -7.781 1.00 0.00 H new ATOM 0 HD12 ILE A 8 5.513 4.300 -7.981 1.00 0.00 H new ATOM 0 HD13 ILE A 8 5.158 5.948 -8.550 1.00 0.00 H new ATOM 115 N ILE A 9 4.452 6.154 -3.170 1.00 0.00 N ATOM 116 CA ILE A 9 4.699 7.015 -2.021 1.00 0.00 C ATOM 117 C ILE A 9 5.929 7.909 -2.218 1.00 0.00 C ATOM 118 O ILE A 9 7.071 7.472 -2.095 1.00 0.00 O ATOM 119 CB ILE A 9 4.920 6.167 -0.745 1.00 0.00 C ATOM 120 CG1 ILE A 9 3.944 4.997 -0.474 1.00 0.00 C ATOM 121 CG2 ILE A 9 4.881 7.150 0.440 1.00 0.00 C ATOM 122 CD1 ILE A 9 4.131 3.706 -1.269 1.00 0.00 C ATOM 0 H ILE A 9 5.238 5.538 -3.375 1.00 0.00 H new ATOM 0 HA ILE A 9 3.817 7.647 -1.915 1.00 0.00 H new ATOM 0 HB ILE A 9 5.871 5.655 -0.888 1.00 0.00 H new ATOM 0 HG12 ILE A 9 4.007 4.748 0.585 1.00 0.00 H new ATOM 0 HG13 ILE A 9 2.932 5.358 -0.657 1.00 0.00 H new ATOM 0 HG21 ILE A 9 5.032 6.604 1.371 1.00 0.00 H new ATOM 0 HG22 ILE A 9 5.670 7.893 0.323 1.00 0.00 H new ATOM 0 HG23 ILE A 9 3.913 7.650 0.466 1.00 0.00 H new ATOM 0 HD11 ILE A 9 3.374 2.981 -0.969 1.00 0.00 H new ATOM 0 HD12 ILE A 9 4.030 3.917 -2.334 1.00 0.00 H new ATOM 0 HD13 ILE A 9 5.122 3.298 -1.072 1.00 0.00 H new ATOM 134 N ASP A 10 5.687 9.197 -2.412 1.00 0.00 N ATOM 135 CA ASP A 10 6.729 10.230 -2.376 1.00 0.00 C ATOM 136 C ASP A 10 6.926 10.688 -0.913 1.00 0.00 C ATOM 137 O ASP A 10 6.260 11.593 -0.424 1.00 0.00 O ATOM 138 CB ASP A 10 6.303 11.351 -3.333 1.00 0.00 C ATOM 139 CG ASP A 10 6.837 11.183 -4.766 1.00 0.00 C ATOM 140 OD1 ASP A 10 8.038 10.885 -4.920 1.00 0.00 O ATOM 141 OD2 ASP A 10 6.009 11.329 -5.704 1.00 0.00 O ATOM 0 H ASP A 10 4.755 9.565 -2.601 1.00 0.00 H new ATOM 0 HA ASP A 10 7.700 9.865 -2.713 1.00 0.00 H new ATOM 0 HB2 ASP A 10 5.214 11.395 -3.364 1.00 0.00 H new ATOM 0 HB3 ASP A 10 6.649 12.305 -2.936 1.00 0.00 H new ATOM 146 N GLY A 11 7.799 9.999 -0.176 1.00 0.00 N ATOM 147 CA GLY A 11 7.925 10.132 1.293 1.00 0.00 C ATOM 148 C GLY A 11 8.611 8.963 1.984 1.00 0.00 C ATOM 149 O GLY A 11 9.131 9.116 3.085 1.00 0.00 O ATOM 0 H GLY A 11 8.449 9.324 -0.578 1.00 0.00 H new ATOM 0 HA2 GLY A 11 8.480 11.043 1.515 1.00 0.00 H new ATOM 0 HA3 GLY A 11 6.929 10.254 1.719 1.00 0.00 H new ATOM 153 N MET A 12 8.598 7.775 1.375 1.00 0.00 N ATOM 154 CA MET A 12 9.029 6.566 2.079 1.00 0.00 C ATOM 155 C MET A 12 10.554 6.412 2.137 1.00 0.00 C ATOM 156 O MET A 12 11.246 6.563 1.134 1.00 0.00 O ATOM 157 CB MET A 12 8.269 5.349 1.528 1.00 0.00 C ATOM 158 CG MET A 12 8.894 4.604 0.357 1.00 0.00 C ATOM 159 SD MET A 12 7.822 3.260 -0.191 1.00 0.00 S ATOM 160 CE MET A 12 9.011 1.907 -0.236 1.00 0.00 C ATOM 0 H MET A 12 8.299 7.625 0.411 1.00 0.00 H new ATOM 0 HA MET A 12 8.759 6.653 3.132 1.00 0.00 H new ATOM 0 HB2 MET A 12 8.132 4.640 2.344 1.00 0.00 H new ATOM 0 HB3 MET A 12 7.276 5.681 1.225 1.00 0.00 H new ATOM 0 HG2 MET A 12 9.070 5.295 -0.468 1.00 0.00 H new ATOM 0 HG3 MET A 12 9.865 4.205 0.650 1.00 0.00 H new ATOM 0 HE1 MET A 12 8.533 1.016 -0.642 1.00 0.00 H new ATOM 0 HE2 MET A 12 9.855 2.185 -0.867 1.00 0.00 H new ATOM 0 HE3 MET A 12 9.366 1.701 0.774 1.00 0.00 H new ATOM 170 N HIS A 13 11.079 5.983 3.288 1.00 0.00 N ATOM 171 CA HIS A 13 12.486 5.614 3.546 1.00 0.00 C ATOM 172 C HIS A 13 12.973 4.360 2.768 1.00 0.00 C ATOM 173 O HIS A 13 13.817 3.591 3.232 1.00 0.00 O ATOM 174 CB HIS A 13 12.656 5.389 5.051 1.00 0.00 C ATOM 175 CG HIS A 13 12.492 6.622 5.907 1.00 0.00 C ATOM 176 ND1 HIS A 13 13.511 7.354 6.479 1.00 0.00 N ATOM 177 CD2 HIS A 13 11.318 7.209 6.292 1.00 0.00 C ATOM 178 CE1 HIS A 13 12.963 8.348 7.195 1.00 0.00 C ATOM 179 NE2 HIS A 13 11.627 8.293 7.116 1.00 0.00 N ATOM 0 H HIS A 13 10.501 5.875 4.122 1.00 0.00 H new ATOM 0 HA HIS A 13 13.103 6.437 3.186 1.00 0.00 H new ATOM 0 HB2 HIS A 13 11.931 4.642 5.375 1.00 0.00 H new ATOM 0 HB3 HIS A 13 13.646 4.971 5.230 1.00 0.00 H new ATOM 0 HD1 HIS A 13 14.509 7.171 6.376 1.00 0.00 H new ATOM 0 HD2 HIS A 13 10.326 6.890 6.008 1.00 0.00 H new ATOM 0 HE1 HIS A 13 13.519 9.086 7.754 1.00 0.00 H new ATOM 187 N CYS A 14 12.374 4.107 1.606 1.00 0.00 N ATOM 188 CA CYS A 14 12.694 3.040 0.668 1.00 0.00 C ATOM 189 C CYS A 14 12.726 1.673 1.364 1.00 0.00 C ATOM 190 O CYS A 14 11.707 1.231 1.886 1.00 0.00 O ATOM 191 CB CYS A 14 13.952 3.419 -0.133 1.00 0.00 C ATOM 192 SG CYS A 14 13.607 4.862 -1.184 1.00 0.00 S ATOM 0 H CYS A 14 11.600 4.683 1.275 1.00 0.00 H new ATOM 0 HA CYS A 14 11.901 2.927 -0.072 1.00 0.00 H new ATOM 0 HB2 CYS A 14 14.773 3.642 0.548 1.00 0.00 H new ATOM 0 HB3 CYS A 14 14.269 2.577 -0.749 1.00 0.00 H new ATOM 0 HG CYS A 14 14.376 4.830 -2.232 1.00 0.00 H new ATOM 198 N LYS A 15 13.883 1.016 1.418 1.00 0.00 N ATOM 199 CA LYS A 15 14.022 -0.405 1.768 1.00 0.00 C ATOM 200 C LYS A 15 13.675 -0.793 3.215 1.00 0.00 C ATOM 201 O LYS A 15 13.391 -1.958 3.462 1.00 0.00 O ATOM 202 CB LYS A 15 15.390 -0.899 1.263 1.00 0.00 C ATOM 203 CG LYS A 15 15.461 -0.596 -0.246 1.00 0.00 C ATOM 204 CD LYS A 15 16.538 -1.349 -1.026 1.00 0.00 C ATOM 205 CE LYS A 15 16.224 -1.292 -2.531 1.00 0.00 C ATOM 206 NZ LYS A 15 16.036 0.098 -3.040 1.00 0.00 N ATOM 0 H LYS A 15 14.776 1.465 1.215 1.00 0.00 H new ATOM 0 HA LYS A 15 13.234 -0.950 1.248 1.00 0.00 H new ATOM 0 HB2 LYS A 15 16.199 -0.397 1.794 1.00 0.00 H new ATOM 0 HB3 LYS A 15 15.504 -1.968 1.446 1.00 0.00 H new ATOM 0 HG2 LYS A 15 14.492 -0.824 -0.689 1.00 0.00 H new ATOM 0 HG3 LYS A 15 15.627 0.474 -0.375 1.00 0.00 H new ATOM 0 HD2 LYS A 15 17.516 -0.909 -0.832 1.00 0.00 H new ATOM 0 HD3 LYS A 15 16.584 -2.386 -0.693 1.00 0.00 H new ATOM 0 HE2 LYS A 15 17.035 -1.768 -3.083 1.00 0.00 H new ATOM 0 HE3 LYS A 15 15.321 -1.870 -2.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 16.422 0.170 -4.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 15.022 0.328 -3.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 16.533 0.766 -2.417 1.00 0.00 H new ATOM 220 N SER A 16 13.613 0.145 4.160 1.00 0.00 N ATOM 221 CA SER A 16 12.993 -0.138 5.470 1.00 0.00 C ATOM 222 C SER A 16 11.493 0.150 5.424 1.00 0.00 C ATOM 223 O SER A 16 10.702 -0.679 5.871 1.00 0.00 O ATOM 224 CB SER A 16 13.634 0.698 6.583 1.00 0.00 C ATOM 225 OG SER A 16 13.671 2.079 6.245 1.00 0.00 O ATOM 0 H SER A 16 13.975 1.093 4.054 1.00 0.00 H new ATOM 0 HA SER A 16 13.157 -1.193 5.688 1.00 0.00 H new ATOM 0 HB2 SER A 16 13.073 0.564 7.508 1.00 0.00 H new ATOM 0 HB3 SER A 16 14.647 0.341 6.770 1.00 0.00 H new ATOM 0 HG SER A 16 14.084 2.584 6.976 1.00 0.00 H new ATOM 231 N CYS A 17 11.077 1.272 4.814 1.00 0.00 N ATOM 232 CA CYS A 17 9.679 1.605 4.621 1.00 0.00 C ATOM 233 C CYS A 17 8.921 0.499 3.873 1.00 0.00 C ATOM 234 O CYS A 17 7.865 0.125 4.363 1.00 0.00 O ATOM 235 CB CYS A 17 9.627 2.999 3.997 1.00 0.00 C ATOM 236 SG CYS A 17 9.353 4.206 5.328 1.00 0.00 S ATOM 0 H CYS A 17 11.718 1.973 4.442 1.00 0.00 H new ATOM 0 HA CYS A 17 9.138 1.652 5.566 1.00 0.00 H new ATOM 0 HB2 CYS A 17 10.558 3.216 3.473 1.00 0.00 H new ATOM 0 HB3 CYS A 17 8.825 3.056 3.261 1.00 0.00 H new ATOM 0 HG CYS A 17 8.812 5.280 4.835 1.00 0.00 H new ATOM 242 N VAL A 18 9.489 -0.088 2.812 1.00 0.00 N ATOM 243 CA VAL A 18 8.982 -1.272 2.095 1.00 0.00 C ATOM 244 C VAL A 18 8.371 -2.292 3.056 1.00 0.00 C ATOM 245 O VAL A 18 7.201 -2.634 2.927 1.00 0.00 O ATOM 246 CB VAL A 18 10.129 -1.968 1.295 1.00 0.00 C ATOM 247 CG1 VAL A 18 9.876 -3.452 0.958 1.00 0.00 C ATOM 248 CG2 VAL A 18 10.536 -1.205 0.020 1.00 0.00 C ATOM 0 H VAL A 18 10.357 0.264 2.408 1.00 0.00 H new ATOM 0 HA VAL A 18 8.211 -0.920 1.410 1.00 0.00 H new ATOM 0 HB VAL A 18 10.963 -1.940 1.997 1.00 0.00 H new ATOM 0 HG11 VAL A 18 10.726 -3.849 0.403 1.00 0.00 H new ATOM 0 HG12 VAL A 18 9.749 -4.018 1.881 1.00 0.00 H new ATOM 0 HG13 VAL A 18 8.974 -3.539 0.352 1.00 0.00 H new ATOM 0 HG21 VAL A 18 11.337 -1.744 -0.486 1.00 0.00 H new ATOM 0 HG22 VAL A 18 9.676 -1.123 -0.645 1.00 0.00 H new ATOM 0 HG23 VAL A 18 10.883 -0.207 0.288 1.00 0.00 H new ATOM 258 N SER A 19 9.155 -2.733 4.036 1.00 0.00 N ATOM 259 CA SER A 19 8.777 -3.808 4.952 1.00 0.00 C ATOM 260 C SER A 19 7.594 -3.405 5.840 1.00 0.00 C ATOM 261 O SER A 19 6.648 -4.179 5.999 1.00 0.00 O ATOM 262 CB SER A 19 10.025 -4.116 5.791 1.00 0.00 C ATOM 263 OG SER A 19 9.859 -5.277 6.580 1.00 0.00 O ATOM 0 H SER A 19 10.082 -2.350 4.220 1.00 0.00 H new ATOM 0 HA SER A 19 8.446 -4.688 4.401 1.00 0.00 H new ATOM 0 HB2 SER A 19 10.883 -4.246 5.131 1.00 0.00 H new ATOM 0 HB3 SER A 19 10.246 -3.267 6.438 1.00 0.00 H new ATOM 0 HG SER A 19 10.675 -5.440 7.098 1.00 0.00 H new ATOM 269 N ASN A 20 7.566 -2.151 6.307 1.00 0.00 N ATOM 270 CA ASN A 20 6.389 -1.611 6.992 1.00 0.00 C ATOM 271 C ASN A 20 5.143 -1.610 6.108 1.00 0.00 C ATOM 272 O ASN A 20 4.050 -1.853 6.601 1.00 0.00 O ATOM 273 CB ASN A 20 6.610 -0.160 7.387 1.00 0.00 C ATOM 274 CG ASN A 20 7.788 0.042 8.309 1.00 0.00 C ATOM 275 OD1 ASN A 20 8.009 -0.667 9.277 1.00 0.00 O ATOM 276 ND2 ASN A 20 8.580 1.044 7.997 1.00 0.00 N ATOM 0 H ASN A 20 8.342 -1.495 6.223 1.00 0.00 H new ATOM 0 HA ASN A 20 6.242 -2.257 7.858 1.00 0.00 H new ATOM 0 HB2 ASN A 20 6.758 0.435 6.486 1.00 0.00 H new ATOM 0 HB3 ASN A 20 5.710 0.217 7.873 1.00 0.00 H new ATOM 0 HD21 ASN A 20 9.401 1.243 8.569 1.00 0.00 H new ATOM 0 HD22 ASN A 20 8.374 1.622 7.183 1.00 0.00 H new ATOM 283 N ILE A 21 5.284 -1.274 4.819 1.00 0.00 N ATOM 284 CA ILE A 21 4.124 -1.171 3.923 1.00 0.00 C ATOM 285 C ILE A 21 3.550 -2.562 3.660 1.00 0.00 C ATOM 286 O ILE A 21 2.340 -2.731 3.769 1.00 0.00 O ATOM 287 CB ILE A 21 4.433 -0.417 2.608 1.00 0.00 C ATOM 288 CG1 ILE A 21 5.463 0.735 2.773 1.00 0.00 C ATOM 289 CG2 ILE A 21 3.086 0.014 1.995 1.00 0.00 C ATOM 290 CD1 ILE A 21 5.284 1.945 1.855 1.00 0.00 C ATOM 0 H ILE A 21 6.180 -1.071 4.376 1.00 0.00 H new ATOM 0 HA ILE A 21 3.372 -0.566 4.429 1.00 0.00 H new ATOM 0 HB ILE A 21 4.945 -1.082 1.912 1.00 0.00 H new ATOM 0 HG12 ILE A 21 5.425 1.081 3.806 1.00 0.00 H new ATOM 0 HG13 ILE A 21 6.461 0.327 2.610 1.00 0.00 H new ATOM 0 HG21 ILE A 21 3.265 0.550 1.063 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.478 -0.869 1.795 1.00 0.00 H new ATOM 0 HG23 ILE A 21 2.560 0.665 2.693 1.00 0.00 H new ATOM 0 HD11 ILE A 21 6.062 2.679 2.065 1.00 0.00 H new ATOM 0 HD12 ILE A 21 5.357 1.627 0.815 1.00 0.00 H new ATOM 0 HD13 ILE A 21 4.306 2.393 2.030 1.00 0.00 H new ATOM 302 N GLU A 22 4.413 -3.553 3.426 1.00 0.00 N ATOM 303 CA GLU A 22 4.040 -4.962 3.371 1.00 0.00 C ATOM 304 C GLU A 22 3.310 -5.388 4.661 1.00 0.00 C ATOM 305 O GLU A 22 2.194 -5.899 4.600 1.00 0.00 O ATOM 306 CB GLU A 22 5.304 -5.799 3.076 1.00 0.00 C ATOM 307 CG GLU A 22 5.851 -5.512 1.664 1.00 0.00 C ATOM 308 CD GLU A 22 6.534 -6.698 0.986 1.00 0.00 C ATOM 309 OE1 GLU A 22 7.417 -7.290 1.634 1.00 0.00 O ATOM 310 OE2 GLU A 22 6.181 -6.964 -0.192 1.00 0.00 O ATOM 0 H GLU A 22 5.408 -3.392 3.267 1.00 0.00 H new ATOM 0 HA GLU A 22 3.329 -5.137 2.563 1.00 0.00 H new ATOM 0 HB2 GLU A 22 6.071 -5.576 3.817 1.00 0.00 H new ATOM 0 HB3 GLU A 22 5.070 -6.860 3.169 1.00 0.00 H new ATOM 0 HG2 GLU A 22 5.028 -5.176 1.033 1.00 0.00 H new ATOM 0 HG3 GLU A 22 6.562 -4.689 1.726 1.00 0.00 H new ATOM 317 N SER A 23 3.876 -5.112 5.838 1.00 0.00 N ATOM 318 CA SER A 23 3.282 -5.541 7.113 1.00 0.00 C ATOM 319 C SER A 23 1.990 -4.822 7.525 1.00 0.00 C ATOM 320 O SER A 23 1.089 -5.463 8.072 1.00 0.00 O ATOM 321 CB SER A 23 4.317 -5.354 8.226 1.00 0.00 C ATOM 322 OG SER A 23 3.833 -5.855 9.463 1.00 0.00 O ATOM 0 H SER A 23 4.748 -4.592 5.938 1.00 0.00 H new ATOM 0 HA SER A 23 3.001 -6.583 6.962 1.00 0.00 H new ATOM 0 HB2 SER A 23 5.240 -5.868 7.958 1.00 0.00 H new ATOM 0 HB3 SER A 23 4.559 -4.296 8.328 1.00 0.00 H new ATOM 0 HG SER A 23 4.513 -5.725 10.157 1.00 0.00 H new ATOM 328 N THR A 24 1.913 -3.500 7.335 1.00 0.00 N ATOM 329 CA THR A 24 0.772 -2.662 7.729 1.00 0.00 C ATOM 330 C THR A 24 -0.424 -2.947 6.838 1.00 0.00 C ATOM 331 O THR A 24 -1.551 -3.016 7.322 1.00 0.00 O ATOM 332 CB THR A 24 1.170 -1.173 7.737 1.00 0.00 C ATOM 333 OG1 THR A 24 2.091 -1.013 8.790 1.00 0.00 O ATOM 334 CG2 THR A 24 0.004 -0.227 8.025 1.00 0.00 C ATOM 0 H THR A 24 2.662 -2.968 6.891 1.00 0.00 H new ATOM 0 HA THR A 24 0.476 -2.912 8.748 1.00 0.00 H new ATOM 0 HB THR A 24 1.559 -0.925 6.749 1.00 0.00 H new ATOM 0 HG1 THR A 24 2.992 -1.234 8.473 1.00 0.00 H new ATOM 0 HG21 THR A 24 0.360 0.803 8.014 1.00 0.00 H new ATOM 0 HG22 THR A 24 -0.764 -0.353 7.262 1.00 0.00 H new ATOM 0 HG23 THR A 24 -0.417 -0.455 9.004 1.00 0.00 H new ATOM 342 N LEU A 25 -0.183 -3.134 5.540 1.00 0.00 N ATOM 343 CA LEU A 25 -1.221 -3.501 4.586 1.00 0.00 C ATOM 344 C LEU A 25 -1.622 -4.961 4.732 1.00 0.00 C ATOM 345 O LEU A 25 -2.817 -5.220 4.780 1.00 0.00 O ATOM 346 CB LEU A 25 -0.762 -3.195 3.157 1.00 0.00 C ATOM 347 CG LEU A 25 -0.709 -1.706 2.735 1.00 0.00 C ATOM 348 CD1 LEU A 25 -1.985 -1.353 1.962 1.00 0.00 C ATOM 349 CD2 LEU A 25 -0.502 -0.688 3.874 1.00 0.00 C ATOM 0 H LEU A 25 0.742 -3.034 5.123 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.105 -2.901 4.801 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.233 -3.620 3.023 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.427 -3.718 2.469 1.00 0.00 H new ATOM 0 HG LEU A 25 0.184 -1.619 2.116 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.951 -0.305 1.663 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.058 -1.981 1.074 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.854 -1.521 2.598 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.481 0.321 3.461 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.320 -0.771 4.589 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.442 -0.893 4.378 1.00 0.00 H new ATOM 361 N SER A 26 -0.695 -5.918 4.852 1.00 0.00 N ATOM 362 CA SER A 26 -1.059 -7.350 4.919 1.00 0.00 C ATOM 363 C SER A 26 -1.745 -7.760 6.247 1.00 0.00 C ATOM 364 O SER A 26 -1.931 -8.948 6.520 1.00 0.00 O ATOM 365 CB SER A 26 0.172 -8.225 4.640 1.00 0.00 C ATOM 366 OG SER A 26 -0.179 -9.596 4.598 1.00 0.00 O ATOM 0 H SER A 26 0.307 -5.736 4.905 1.00 0.00 H new ATOM 0 HA SER A 26 -1.805 -7.515 4.142 1.00 0.00 H new ATOM 0 HB2 SER A 26 0.623 -7.932 3.692 1.00 0.00 H new ATOM 0 HB3 SER A 26 0.922 -8.061 5.414 1.00 0.00 H new ATOM 0 HG SER A 26 -0.853 -9.782 5.285 1.00 0.00 H new ATOM 372 N ALA A 27 -2.141 -6.784 7.067 1.00 0.00 N ATOM 373 CA ALA A 27 -2.897 -6.969 8.301 1.00 0.00 C ATOM 374 C ALA A 27 -4.379 -6.609 8.108 1.00 0.00 C ATOM 375 O ALA A 27 -5.188 -6.790 9.020 1.00 0.00 O ATOM 376 CB ALA A 27 -2.242 -6.092 9.376 1.00 0.00 C ATOM 0 H ALA A 27 -1.933 -5.803 6.879 1.00 0.00 H new ATOM 0 HA ALA A 27 -2.876 -8.016 8.605 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -2.782 -6.205 10.316 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -1.205 -6.399 9.514 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -2.273 -5.048 9.063 1.00 0.00 H new ATOM 382 N LEU A 28 -4.758 -6.069 6.940 1.00 0.00 N ATOM 383 CA LEU A 28 -6.101 -5.564 6.719 1.00 0.00 C ATOM 384 C LEU A 28 -7.039 -6.751 6.489 1.00 0.00 C ATOM 385 O LEU A 28 -6.821 -7.563 5.595 1.00 0.00 O ATOM 386 CB LEU A 28 -6.105 -4.570 5.544 1.00 0.00 C ATOM 387 CG LEU A 28 -5.188 -3.344 5.742 1.00 0.00 C ATOM 388 CD1 LEU A 28 -4.920 -2.635 4.408 1.00 0.00 C ATOM 389 CD2 LEU A 28 -5.810 -2.338 6.710 1.00 0.00 C ATOM 0 H LEU A 28 -4.140 -5.975 6.134 1.00 0.00 H new ATOM 0 HA LEU A 28 -6.456 -5.016 7.592 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -5.799 -5.095 4.639 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -7.125 -4.223 5.381 1.00 0.00 H new ATOM 0 HG LEU A 28 -4.250 -3.714 6.156 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.272 -1.775 4.577 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.434 -3.326 3.720 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.864 -2.299 3.979 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -5.141 -1.486 6.829 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -6.766 -1.996 6.314 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -5.967 -2.814 7.678 1.00 0.00 H new ATOM 401 N GLN A 29 -8.116 -6.849 7.263 1.00 0.00 N ATOM 402 CA GLN A 29 -8.968 -8.045 7.282 1.00 0.00 C ATOM 403 C GLN A 29 -9.653 -8.349 5.940 1.00 0.00 C ATOM 404 O GLN A 29 -10.110 -9.470 5.752 1.00 0.00 O ATOM 405 CB GLN A 29 -10.002 -7.899 8.404 1.00 0.00 C ATOM 406 CG GLN A 29 -9.343 -7.931 9.791 1.00 0.00 C ATOM 407 CD GLN A 29 -10.335 -7.515 10.863 1.00 0.00 C ATOM 408 OE1 GLN A 29 -10.396 -6.369 11.267 1.00 0.00 O ATOM 409 NE2 GLN A 29 -11.183 -8.401 11.337 1.00 0.00 N ATOM 0 H GLN A 29 -8.426 -6.109 7.893 1.00 0.00 H new ATOM 0 HA GLN A 29 -8.319 -8.901 7.467 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -10.544 -6.961 8.280 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -10.735 -8.703 8.331 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -8.972 -8.934 10.000 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -8.482 -7.263 9.806 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -11.147 -9.367 11.010 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -11.876 -8.123 12.031 1.00 0.00 H new ATOM 418 N TYR A 30 -9.687 -7.397 5.001 1.00 0.00 N ATOM 419 CA TYR A 30 -10.110 -7.643 3.624 1.00 0.00 C ATOM 420 C TYR A 30 -8.982 -8.015 2.645 1.00 0.00 C ATOM 421 O TYR A 30 -9.301 -8.397 1.524 1.00 0.00 O ATOM 422 CB TYR A 30 -10.903 -6.430 3.102 1.00 0.00 C ATOM 423 CG TYR A 30 -10.345 -5.026 3.313 1.00 0.00 C ATOM 424 CD1 TYR A 30 -8.971 -4.715 3.194 1.00 0.00 C ATOM 425 CD2 TYR A 30 -11.255 -3.985 3.593 1.00 0.00 C ATOM 426 CE1 TYR A 30 -8.527 -3.392 3.330 1.00 0.00 C ATOM 427 CE2 TYR A 30 -10.811 -2.660 3.752 1.00 0.00 C ATOM 428 CZ TYR A 30 -9.441 -2.356 3.618 1.00 0.00 C ATOM 429 OH TYR A 30 -9.009 -1.075 3.774 1.00 0.00 O ATOM 0 H TYR A 30 -9.419 -6.429 5.180 1.00 0.00 H new ATOM 0 HA TYR A 30 -10.741 -8.531 3.665 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -11.045 -6.568 2.030 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -11.891 -6.462 3.561 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -8.258 -5.502 2.997 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -12.307 -4.209 3.687 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -7.478 -3.164 3.213 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -11.519 -1.876 3.977 1.00 0.00 H new ATOM 0 HH TYR A 30 -8.210 -0.930 3.225 1.00 0.00 H new ATOM 439 N VAL A 31 -7.689 -7.865 2.970 1.00 0.00 N ATOM 440 CA VAL A 31 -6.617 -8.015 1.968 1.00 0.00 C ATOM 441 C VAL A 31 -6.199 -9.482 1.866 1.00 0.00 C ATOM 442 O VAL A 31 -6.091 -10.176 2.873 1.00 0.00 O ATOM 443 CB VAL A 31 -5.436 -7.024 2.114 1.00 0.00 C ATOM 444 CG1 VAL A 31 -4.472 -7.297 3.231 1.00 0.00 C ATOM 445 CG2 VAL A 31 -4.562 -6.997 0.848 1.00 0.00 C ATOM 0 H VAL A 31 -7.360 -7.642 3.909 1.00 0.00 H new ATOM 0 HA VAL A 31 -7.037 -7.719 1.007 1.00 0.00 H new ATOM 0 HB VAL A 31 -5.957 -6.088 2.315 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -3.691 -6.537 3.231 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.002 -7.273 4.183 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -4.022 -8.280 3.091 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -3.743 -6.291 0.986 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -4.156 -7.992 0.665 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -5.167 -6.689 -0.005 1.00 0.00 H new ATOM 455 N SER A 32 -6.025 -9.980 0.641 1.00 0.00 N ATOM 456 CA SER A 32 -5.748 -11.398 0.378 1.00 0.00 C ATOM 457 C SER A 32 -4.274 -11.669 0.039 1.00 0.00 C ATOM 458 O SER A 32 -3.846 -12.821 0.073 1.00 0.00 O ATOM 459 CB SER A 32 -6.658 -11.880 -0.761 1.00 0.00 C ATOM 460 OG SER A 32 -6.832 -13.284 -0.710 1.00 0.00 O ATOM 0 H SER A 32 -6.072 -9.410 -0.203 1.00 0.00 H new ATOM 0 HA SER A 32 -5.956 -11.953 1.293 1.00 0.00 H new ATOM 0 HB2 SER A 32 -7.627 -11.387 -0.691 1.00 0.00 H new ATOM 0 HB3 SER A 32 -6.226 -11.598 -1.721 1.00 0.00 H new ATOM 0 HG SER A 32 -5.984 -13.710 -0.467 1.00 0.00 H new ATOM 466 N SER A 33 -3.498 -10.625 -0.282 1.00 0.00 N ATOM 467 CA SER A 33 -2.094 -10.637 -0.713 1.00 0.00 C ATOM 468 C SER A 33 -1.564 -9.224 -1.020 1.00 0.00 C ATOM 469 O SER A 33 -2.299 -8.236 -1.050 1.00 0.00 O ATOM 470 CB SER A 33 -1.908 -11.552 -1.928 1.00 0.00 C ATOM 471 OG SER A 33 -1.738 -12.884 -1.495 1.00 0.00 O ATOM 0 H SER A 33 -3.866 -9.674 -0.244 1.00 0.00 H new ATOM 0 HA SER A 33 -1.510 -11.028 0.120 1.00 0.00 H new ATOM 0 HB2 SER A 33 -2.774 -11.480 -2.586 1.00 0.00 H new ATOM 0 HB3 SER A 33 -1.041 -11.233 -2.507 1.00 0.00 H new ATOM 0 HG SER A 33 -2.285 -13.041 -0.697 1.00 0.00 H new ATOM 477 N ILE A 34 -0.269 -9.128 -1.290 1.00 0.00 N ATOM 478 CA ILE A 34 0.512 -7.902 -1.502 1.00 0.00 C ATOM 479 C ILE A 34 1.926 -8.284 -1.952 1.00 0.00 C ATOM 480 O ILE A 34 2.387 -9.375 -1.625 1.00 0.00 O ATOM 481 CB ILE A 34 0.533 -7.010 -0.224 1.00 0.00 C ATOM 482 CG1 ILE A 34 1.295 -5.682 -0.455 1.00 0.00 C ATOM 483 CG2 ILE A 34 1.118 -7.750 0.997 1.00 0.00 C ATOM 484 CD1 ILE A 34 1.036 -4.627 0.622 1.00 0.00 C ATOM 0 H ILE A 34 0.312 -9.962 -1.374 1.00 0.00 H new ATOM 0 HA ILE A 34 0.041 -7.306 -2.283 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.509 -6.774 -0.008 1.00 0.00 H new ATOM 0 HG12 ILE A 34 2.364 -5.890 -0.497 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.011 -5.275 -1.425 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.111 -7.087 1.862 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.515 -8.632 1.211 1.00 0.00 H new ATOM 0 HG23 ILE A 34 2.142 -8.055 0.781 1.00 0.00 H new ATOM 0 HD11 ILE A 34 1.604 -3.725 0.392 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -0.027 -4.389 0.650 1.00 0.00 H new ATOM 0 HD13 ILE A 34 1.347 -5.014 1.592 1.00 0.00 H new ATOM 496 N VAL A 35 2.560 -7.391 -2.707 1.00 0.00 N ATOM 497 CA VAL A 35 3.990 -7.372 -3.047 1.00 0.00 C ATOM 498 C VAL A 35 4.430 -5.925 -3.121 1.00 0.00 C ATOM 499 O VAL A 35 3.832 -5.131 -3.851 1.00 0.00 O ATOM 500 CB VAL A 35 4.304 -8.025 -4.411 1.00 0.00 C ATOM 501 CG1 VAL A 35 5.707 -7.695 -4.969 1.00 0.00 C ATOM 502 CG2 VAL A 35 4.240 -9.545 -4.248 1.00 0.00 C ATOM 0 H VAL A 35 2.061 -6.608 -3.128 1.00 0.00 H new ATOM 0 HA VAL A 35 4.514 -7.941 -2.280 1.00 0.00 H new ATOM 0 HB VAL A 35 3.568 -7.628 -5.110 1.00 0.00 H new ATOM 0 HG11 VAL A 35 5.844 -8.194 -5.928 1.00 0.00 H new ATOM 0 HG12 VAL A 35 5.801 -6.617 -5.104 1.00 0.00 H new ATOM 0 HG13 VAL A 35 6.468 -8.041 -4.269 1.00 0.00 H new ATOM 0 HG21 VAL A 35 4.459 -10.023 -5.203 1.00 0.00 H new ATOM 0 HG22 VAL A 35 4.973 -9.863 -3.506 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.242 -9.834 -3.919 1.00 0.00 H new ATOM 512 N VAL A 36 5.511 -5.601 -2.426 1.00 0.00 N ATOM 513 CA VAL A 36 6.177 -4.298 -2.578 1.00 0.00 C ATOM 514 C VAL A 36 7.325 -4.374 -3.584 1.00 0.00 C ATOM 515 O VAL A 36 8.117 -5.314 -3.627 1.00 0.00 O ATOM 516 CB VAL A 36 6.594 -3.702 -1.223 1.00 0.00 C ATOM 517 CG1 VAL A 36 7.605 -2.563 -1.350 1.00 0.00 C ATOM 518 CG2 VAL A 36 5.382 -3.059 -0.534 1.00 0.00 C ATOM 0 H VAL A 36 5.953 -6.220 -1.746 1.00 0.00 H new ATOM 0 HA VAL A 36 5.451 -3.600 -2.994 1.00 0.00 H new ATOM 0 HB VAL A 36 7.023 -4.537 -0.669 1.00 0.00 H new ATOM 0 HG11 VAL A 36 7.857 -2.188 -0.358 1.00 0.00 H new ATOM 0 HG12 VAL A 36 8.507 -2.930 -1.839 1.00 0.00 H new ATOM 0 HG13 VAL A 36 7.173 -1.758 -1.944 1.00 0.00 H new ATOM 0 HG21 VAL A 36 5.688 -2.640 0.425 1.00 0.00 H new ATOM 0 HG22 VAL A 36 4.983 -2.266 -1.166 1.00 0.00 H new ATOM 0 HG23 VAL A 36 4.613 -3.814 -0.371 1.00 0.00 H new ATOM 528 N SER A 37 7.426 -3.326 -4.401 1.00 0.00 N ATOM 529 CA SER A 37 8.538 -3.117 -5.323 1.00 0.00 C ATOM 530 C SER A 37 9.795 -2.672 -4.566 1.00 0.00 C ATOM 531 O SER A 37 10.067 -1.484 -4.494 1.00 0.00 O ATOM 532 CB SER A 37 8.130 -2.058 -6.352 1.00 0.00 C ATOM 533 OG SER A 37 7.158 -2.594 -7.232 1.00 0.00 O ATOM 0 H SER A 37 6.724 -2.587 -4.440 1.00 0.00 H new ATOM 0 HA SER A 37 8.771 -4.053 -5.830 1.00 0.00 H new ATOM 0 HB2 SER A 37 7.730 -1.180 -5.845 1.00 0.00 H new ATOM 0 HB3 SER A 37 9.003 -1.730 -6.916 1.00 0.00 H new ATOM 0 HG SER A 37 6.899 -1.913 -7.887 1.00 0.00 H new ATOM 539 N LEU A 38 10.573 -3.624 -4.042 1.00 0.00 N ATOM 540 CA LEU A 38 11.687 -3.444 -3.095 1.00 0.00 C ATOM 541 C LEU A 38 12.692 -2.383 -3.505 1.00 0.00 C ATOM 542 O LEU A 38 13.175 -1.658 -2.642 1.00 0.00 O ATOM 543 CB LEU A 38 12.365 -4.809 -2.851 1.00 0.00 C ATOM 544 CG LEU A 38 12.926 -4.998 -1.420 1.00 0.00 C ATOM 545 CD1 LEU A 38 13.218 -6.480 -1.163 1.00 0.00 C ATOM 546 CD2 LEU A 38 14.187 -4.180 -1.103 1.00 0.00 C ATOM 0 H LEU A 38 10.436 -4.606 -4.281 1.00 0.00 H new ATOM 0 HA LEU A 38 11.262 -3.065 -2.165 1.00 0.00 H new ATOM 0 HB2 LEU A 38 11.643 -5.601 -3.053 1.00 0.00 H new ATOM 0 HB3 LEU A 38 13.179 -4.930 -3.566 1.00 0.00 H new ATOM 0 HG LEU A 38 12.145 -4.622 -0.759 1.00 0.00 H new ATOM 0 HD11 LEU A 38 13.612 -6.604 -0.154 1.00 0.00 H new ATOM 0 HD12 LEU A 38 12.298 -7.055 -1.266 1.00 0.00 H new ATOM 0 HD13 LEU A 38 13.952 -6.837 -1.886 1.00 0.00 H new ATOM 0 HD21 LEU A 38 14.503 -4.380 -0.079 1.00 0.00 H new ATOM 0 HD22 LEU A 38 14.985 -4.461 -1.790 1.00 0.00 H new ATOM 0 HD23 LEU A 38 13.969 -3.118 -1.215 1.00 0.00 H new ATOM 558 N GLU A 39 13.023 -2.262 -4.793 1.00 0.00 N ATOM 559 CA GLU A 39 13.821 -1.139 -5.231 1.00 0.00 C ATOM 560 C GLU A 39 13.111 0.184 -4.892 1.00 0.00 C ATOM 561 O GLU A 39 13.589 1.011 -4.112 1.00 0.00 O ATOM 562 CB GLU A 39 14.115 -1.271 -6.729 1.00 0.00 C ATOM 563 CG GLU A 39 15.334 -0.480 -7.203 1.00 0.00 C ATOM 564 CD GLU A 39 15.469 0.932 -6.614 1.00 0.00 C ATOM 565 OE1 GLU A 39 14.823 1.880 -7.117 1.00 0.00 O ATOM 566 OE2 GLU A 39 16.150 1.048 -5.568 1.00 0.00 O ATOM 0 H GLU A 39 12.753 -2.916 -5.528 1.00 0.00 H new ATOM 0 HA GLU A 39 14.775 -1.135 -4.703 1.00 0.00 H new ATOM 0 HB2 GLU A 39 14.265 -2.324 -6.966 1.00 0.00 H new ATOM 0 HB3 GLU A 39 13.241 -0.939 -7.289 1.00 0.00 H new ATOM 0 HG2 GLU A 39 16.232 -1.046 -6.957 1.00 0.00 H new ATOM 0 HG3 GLU A 39 15.295 -0.401 -8.289 1.00 0.00 H new ATOM 573 N ASN A 40 11.926 0.298 -5.474 1.00 0.00 N ATOM 574 CA ASN A 40 11.089 1.465 -5.577 1.00 0.00 C ATOM 575 C ASN A 40 10.262 1.808 -4.342 1.00 0.00 C ATOM 576 O ASN A 40 10.368 1.242 -3.255 1.00 0.00 O ATOM 577 CB ASN A 40 10.263 1.338 -6.876 1.00 0.00 C ATOM 578 CG ASN A 40 11.096 1.936 -7.987 1.00 0.00 C ATOM 579 OD1 ASN A 40 11.021 3.130 -8.238 1.00 0.00 O ATOM 580 ND2 ASN A 40 11.989 1.150 -8.553 1.00 0.00 N ATOM 0 H ASN A 40 11.493 -0.507 -5.927 1.00 0.00 H new ATOM 0 HA ASN A 40 11.738 2.339 -5.630 1.00 0.00 H new ATOM 0 HB2 ASN A 40 10.032 0.294 -7.086 1.00 0.00 H new ATOM 0 HB3 ASN A 40 9.312 1.862 -6.782 1.00 0.00 H new ATOM 0 HD21 ASN A 40 12.651 1.533 -9.228 1.00 0.00 H new ATOM 0 HD22 ASN A 40 12.019 0.158 -8.316 1.00 0.00 H new ATOM 587 N ARG A 41 9.470 2.860 -4.546 1.00 0.00 N ATOM 588 CA ARG A 41 8.654 3.528 -3.550 1.00 0.00 C ATOM 589 C ARG A 41 7.167 3.172 -3.734 1.00 0.00 C ATOM 590 O ARG A 41 6.295 4.020 -3.565 1.00 0.00 O ATOM 591 CB ARG A 41 8.982 5.040 -3.574 1.00 0.00 C ATOM 592 CG ARG A 41 10.488 5.308 -3.370 1.00 0.00 C ATOM 593 CD ARG A 41 11.271 5.444 -4.684 1.00 0.00 C ATOM 594 NE ARG A 41 12.683 5.040 -4.504 1.00 0.00 N ATOM 595 CZ ARG A 41 13.438 4.328 -5.347 1.00 0.00 C ATOM 596 NH1 ARG A 41 13.167 4.146 -6.619 1.00 0.00 N ATOM 597 NH2 ARG A 41 14.510 3.710 -4.918 1.00 0.00 N ATOM 0 H ARG A 41 9.380 3.289 -5.467 1.00 0.00 H new ATOM 0 HA ARG A 41 8.888 3.179 -2.544 1.00 0.00 H new ATOM 0 HB2 ARG A 41 8.664 5.465 -4.526 1.00 0.00 H new ATOM 0 HB3 ARG A 41 8.415 5.547 -2.793 1.00 0.00 H new ATOM 0 HG2 ARG A 41 10.611 6.221 -2.787 1.00 0.00 H new ATOM 0 HG3 ARG A 41 10.917 4.496 -2.783 1.00 0.00 H new ATOM 0 HD2 ARG A 41 10.808 4.826 -5.453 1.00 0.00 H new ATOM 0 HD3 ARG A 41 11.226 6.476 -5.033 1.00 0.00 H new ATOM 0 HE ARG A 41 13.132 5.339 -3.638 1.00 0.00 H new ATOM 0 HH11 ARG A 41 12.330 4.562 -7.027 1.00 0.00 H new ATOM 0 HH12 ARG A 41 13.794 3.588 -7.199 1.00 0.00 H new ATOM 0 HH21 ARG A 41 14.774 3.770 -3.935 1.00 0.00 H new ATOM 0 HH22 ARG A 41 15.081 3.169 -5.567 1.00 0.00 H new ATOM 611 N SER A 42 6.851 1.946 -4.176 1.00 0.00 N ATOM 612 CA SER A 42 5.495 1.541 -4.574 1.00 0.00 C ATOM 613 C SER A 42 5.135 0.085 -4.227 1.00 0.00 C ATOM 614 O SER A 42 6.002 -0.768 -4.036 1.00 0.00 O ATOM 615 CB SER A 42 5.302 1.739 -6.086 1.00 0.00 C ATOM 616 OG SER A 42 6.411 1.265 -6.835 1.00 0.00 O ATOM 0 H SER A 42 7.539 1.198 -4.268 1.00 0.00 H new ATOM 0 HA SER A 42 4.829 2.182 -3.997 1.00 0.00 H new ATOM 0 HB2 SER A 42 4.400 1.218 -6.407 1.00 0.00 H new ATOM 0 HB3 SER A 42 5.150 2.798 -6.296 1.00 0.00 H new ATOM 0 HG SER A 42 6.246 1.409 -7.790 1.00 0.00 H new ATOM 622 N ALA A 43 3.830 -0.202 -4.200 1.00 0.00 N ATOM 623 CA ALA A 43 3.239 -1.457 -3.731 1.00 0.00 C ATOM 624 C ALA A 43 2.097 -1.907 -4.645 1.00 0.00 C ATOM 625 O ALA A 43 1.253 -1.102 -5.036 1.00 0.00 O ATOM 626 CB ALA A 43 2.707 -1.215 -2.307 1.00 0.00 C ATOM 0 H ALA A 43 3.126 0.464 -4.519 1.00 0.00 H new ATOM 0 HA ALA A 43 3.992 -2.245 -3.739 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.258 -2.132 -1.925 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.529 -0.916 -1.657 1.00 0.00 H new ATOM 0 HB3 ALA A 43 1.956 -0.425 -2.329 1.00 0.00 H new ATOM 632 N ILE A 44 2.041 -3.203 -4.940 1.00 0.00 N ATOM 633 CA ILE A 44 0.920 -3.865 -5.614 1.00 0.00 C ATOM 634 C ILE A 44 0.206 -4.669 -4.529 1.00 0.00 C ATOM 635 O ILE A 44 0.784 -5.594 -3.957 1.00 0.00 O ATOM 636 CB ILE A 44 1.434 -4.741 -6.777 1.00 0.00 C ATOM 637 CG1 ILE A 44 2.136 -3.851 -7.834 1.00 0.00 C ATOM 638 CG2 ILE A 44 0.261 -5.518 -7.407 1.00 0.00 C ATOM 639 CD1 ILE A 44 2.880 -4.644 -8.916 1.00 0.00 C ATOM 0 H ILE A 44 2.799 -3.846 -4.710 1.00 0.00 H new ATOM 0 HA ILE A 44 0.227 -3.159 -6.072 1.00 0.00 H new ATOM 0 HB ILE A 44 2.158 -5.461 -6.396 1.00 0.00 H new ATOM 0 HG12 ILE A 44 1.391 -3.214 -8.311 1.00 0.00 H new ATOM 0 HG13 ILE A 44 2.843 -3.192 -7.329 1.00 0.00 H new ATOM 0 HG21 ILE A 44 0.631 -6.134 -8.227 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -0.199 -6.156 -6.653 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -0.479 -4.814 -7.787 1.00 0.00 H new ATOM 0 HD11 ILE A 44 3.345 -3.953 -9.619 1.00 0.00 H new ATOM 0 HD12 ILE A 44 3.649 -5.261 -8.451 1.00 0.00 H new ATOM 0 HD13 ILE A 44 2.175 -5.283 -9.448 1.00 0.00 H new ATOM 651 N VAL A 45 -1.015 -4.262 -4.199 1.00 0.00 N ATOM 652 CA VAL A 45 -1.804 -4.768 -3.064 1.00 0.00 C ATOM 653 C VAL A 45 -3.007 -5.520 -3.635 1.00 0.00 C ATOM 654 O VAL A 45 -3.665 -4.996 -4.533 1.00 0.00 O ATOM 655 CB VAL A 45 -2.290 -3.611 -2.173 1.00 0.00 C ATOM 656 CG1 VAL A 45 -2.922 -4.180 -0.892 1.00 0.00 C ATOM 657 CG2 VAL A 45 -1.166 -2.630 -1.791 1.00 0.00 C ATOM 0 H VAL A 45 -1.507 -3.544 -4.730 1.00 0.00 H new ATOM 0 HA VAL A 45 -1.188 -5.424 -2.449 1.00 0.00 H new ATOM 0 HB VAL A 45 -3.023 -3.051 -2.753 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -3.266 -3.360 -0.261 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -3.768 -4.815 -1.155 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -2.181 -4.768 -0.351 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -1.573 -1.837 -1.163 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -0.388 -3.163 -1.245 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -0.741 -2.194 -2.695 1.00 0.00 H new ATOM 667 N VAL A 46 -3.303 -6.720 -3.131 1.00 0.00 N ATOM 668 CA VAL A 46 -4.265 -7.665 -3.718 1.00 0.00 C ATOM 669 C VAL A 46 -5.356 -7.959 -2.678 1.00 0.00 C ATOM 670 O VAL A 46 -5.170 -8.777 -1.781 1.00 0.00 O ATOM 671 CB VAL A 46 -3.521 -8.956 -4.149 1.00 0.00 C ATOM 672 CG1 VAL A 46 -4.433 -9.999 -4.809 1.00 0.00 C ATOM 673 CG2 VAL A 46 -2.302 -8.682 -5.055 1.00 0.00 C ATOM 0 H VAL A 46 -2.869 -7.075 -2.279 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.735 -7.241 -4.605 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.160 -9.375 -3.210 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -3.845 -10.875 -5.084 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -5.216 -10.293 -4.109 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -4.887 -9.572 -5.703 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -1.826 -9.626 -5.320 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.630 -8.173 -5.962 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -1.588 -8.053 -4.524 1.00 0.00 H new ATOM 683 N TYR A 47 -6.480 -7.238 -2.739 1.00 0.00 N ATOM 684 CA TYR A 47 -7.511 -7.232 -1.688 1.00 0.00 C ATOM 685 C TYR A 47 -8.846 -7.830 -2.140 1.00 0.00 C ATOM 686 O TYR A 47 -9.240 -7.664 -3.285 1.00 0.00 O ATOM 687 CB TYR A 47 -7.714 -5.808 -1.154 1.00 0.00 C ATOM 688 CG TYR A 47 -8.383 -4.853 -2.128 1.00 0.00 C ATOM 689 CD1 TYR A 47 -7.643 -4.292 -3.188 1.00 0.00 C ATOM 690 CD2 TYR A 47 -9.745 -4.529 -1.983 1.00 0.00 C ATOM 691 CE1 TYR A 47 -8.242 -3.368 -4.063 1.00 0.00 C ATOM 692 CE2 TYR A 47 -10.352 -3.616 -2.866 1.00 0.00 C ATOM 693 CZ TYR A 47 -9.594 -3.003 -3.888 1.00 0.00 C ATOM 694 OH TYR A 47 -10.157 -2.053 -4.684 1.00 0.00 O ATOM 0 H TYR A 47 -6.705 -6.633 -3.529 1.00 0.00 H new ATOM 0 HA TYR A 47 -7.144 -7.876 -0.889 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -8.314 -5.858 -0.245 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -6.744 -5.398 -0.873 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -6.610 -4.573 -3.329 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -10.326 -4.982 -1.193 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -7.667 -2.937 -4.869 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -11.401 -3.383 -2.762 1.00 0.00 H new ATOM 0 HH TYR A 47 -10.972 -1.712 -4.260 1.00 0.00 H new ATOM 704 N ASN A 48 -9.571 -8.507 -1.252 1.00 0.00 N ATOM 705 CA ASN A 48 -10.836 -9.163 -1.573 1.00 0.00 C ATOM 706 C ASN A 48 -12.029 -8.230 -1.322 1.00 0.00 C ATOM 707 O ASN A 48 -12.219 -7.744 -0.206 1.00 0.00 O ATOM 708 CB ASN A 48 -10.939 -10.463 -0.764 1.00 0.00 C ATOM 709 CG ASN A 48 -12.034 -11.364 -1.309 1.00 0.00 C ATOM 710 OD1 ASN A 48 -13.209 -11.185 -1.026 1.00 0.00 O ATOM 711 ND2 ASN A 48 -11.667 -12.327 -2.135 1.00 0.00 N ATOM 0 H ASN A 48 -9.293 -8.617 -0.277 1.00 0.00 H new ATOM 0 HA ASN A 48 -10.861 -9.408 -2.635 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -9.984 -10.989 -0.792 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -11.143 -10.229 0.281 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -12.370 -12.938 -2.550 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -10.680 -12.459 -2.358 1.00 0.00 H new ATOM 718 N ALA A 49 -12.826 -7.968 -2.363 1.00 0.00 N ATOM 719 CA ALA A 49 -13.929 -7.011 -2.328 1.00 0.00 C ATOM 720 C ALA A 49 -14.737 -7.015 -3.629 1.00 0.00 C ATOM 721 O ALA A 49 -14.181 -6.783 -4.698 1.00 0.00 O ATOM 722 CB ALA A 49 -13.358 -5.600 -2.110 1.00 0.00 C ATOM 0 H ALA A 49 -12.718 -8.425 -3.268 1.00 0.00 H new ATOM 0 HA ALA A 49 -14.595 -7.300 -1.515 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -14.174 -4.878 -2.082 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -12.814 -5.569 -1.166 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -12.681 -5.351 -2.927 1.00 0.00 H new ATOM 728 N SER A 50 -16.060 -7.162 -3.528 1.00 0.00 N ATOM 729 CA SER A 50 -16.960 -6.936 -4.671 1.00 0.00 C ATOM 730 C SER A 50 -17.001 -5.445 -5.056 1.00 0.00 C ATOM 731 O SER A 50 -17.013 -5.115 -6.238 1.00 0.00 O ATOM 732 CB SER A 50 -18.366 -7.468 -4.333 1.00 0.00 C ATOM 733 OG SER A 50 -19.362 -7.058 -5.257 1.00 0.00 O ATOM 0 H SER A 50 -16.536 -7.436 -2.668 1.00 0.00 H new ATOM 0 HA SER A 50 -16.580 -7.480 -5.536 1.00 0.00 H new ATOM 0 HB2 SER A 50 -18.336 -8.557 -4.302 1.00 0.00 H new ATOM 0 HB3 SER A 50 -18.645 -7.128 -3.336 1.00 0.00 H new ATOM 0 HG SER A 50 -20.229 -7.428 -4.989 1.00 0.00 H new ATOM 739 N SER A 51 -16.943 -4.532 -4.078 1.00 0.00 N ATOM 740 CA SER A 51 -16.808 -3.092 -4.311 1.00 0.00 C ATOM 741 C SER A 51 -16.360 -2.368 -3.029 1.00 0.00 C ATOM 742 O SER A 51 -17.165 -2.063 -2.151 1.00 0.00 O ATOM 743 CB SER A 51 -18.099 -2.478 -4.870 1.00 0.00 C ATOM 744 OG SER A 51 -17.824 -1.163 -5.325 1.00 0.00 O ATOM 0 H SER A 51 -16.989 -4.778 -3.089 1.00 0.00 H new ATOM 0 HA SER A 51 -16.035 -2.957 -5.067 1.00 0.00 H new ATOM 0 HB2 SER A 51 -18.482 -3.087 -5.688 1.00 0.00 H new ATOM 0 HB3 SER A 51 -18.870 -2.457 -4.100 1.00 0.00 H new ATOM 0 HG SER A 51 -18.643 -0.764 -5.685 1.00 0.00 H new ATOM 750 N VAL A 52 -15.056 -2.105 -2.921 1.00 0.00 N ATOM 751 CA VAL A 52 -14.426 -1.250 -1.904 1.00 0.00 C ATOM 752 C VAL A 52 -13.385 -0.419 -2.649 1.00 0.00 C ATOM 753 O VAL A 52 -12.696 -0.947 -3.528 1.00 0.00 O ATOM 754 CB VAL A 52 -13.772 -2.063 -0.755 1.00 0.00 C ATOM 755 CG1 VAL A 52 -13.001 -1.162 0.228 1.00 0.00 C ATOM 756 CG2 VAL A 52 -14.813 -2.864 0.045 1.00 0.00 C ATOM 0 H VAL A 52 -14.375 -2.500 -3.570 1.00 0.00 H new ATOM 0 HA VAL A 52 -15.176 -0.627 -1.416 1.00 0.00 H new ATOM 0 HB VAL A 52 -13.077 -2.747 -1.241 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -12.561 -1.775 1.015 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -12.211 -0.634 -0.306 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -13.685 -0.439 0.672 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -14.313 -3.419 0.839 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -15.541 -2.180 0.482 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -15.324 -3.562 -0.619 1.00 0.00 H new ATOM 766 N THR A 53 -13.308 0.879 -2.339 1.00 0.00 N ATOM 767 CA THR A 53 -12.405 1.810 -3.021 1.00 0.00 C ATOM 768 C THR A 53 -10.938 1.436 -2.765 1.00 0.00 C ATOM 769 O THR A 53 -10.593 1.124 -1.621 1.00 0.00 O ATOM 770 CB THR A 53 -12.717 3.268 -2.658 1.00 0.00 C ATOM 771 OG1 THR A 53 -11.788 4.105 -3.304 1.00 0.00 O ATOM 772 CG2 THR A 53 -12.650 3.573 -1.165 1.00 0.00 C ATOM 0 H THR A 53 -13.871 1.314 -1.608 1.00 0.00 H new ATOM 0 HA THR A 53 -12.573 1.722 -4.094 1.00 0.00 H new ATOM 0 HB THR A 53 -13.744 3.444 -2.979 1.00 0.00 H new ATOM 0 HG1 THR A 53 -11.979 5.040 -3.080 1.00 0.00 H new ATOM 0 HG21 THR A 53 -12.884 4.624 -0.998 1.00 0.00 H new ATOM 0 HG22 THR A 53 -13.371 2.952 -0.634 1.00 0.00 H new ATOM 0 HG23 THR A 53 -11.647 3.361 -0.795 1.00 0.00 H new ATOM 780 N PRO A 54 -10.048 1.530 -3.777 1.00 0.00 N ATOM 781 CA PRO A 54 -8.608 1.417 -3.566 1.00 0.00 C ATOM 782 C PRO A 54 -8.084 2.522 -2.641 1.00 0.00 C ATOM 783 O PRO A 54 -7.019 2.352 -2.052 1.00 0.00 O ATOM 784 CB PRO A 54 -7.987 1.487 -4.965 1.00 0.00 C ATOM 785 CG PRO A 54 -8.998 2.296 -5.771 1.00 0.00 C ATOM 786 CD PRO A 54 -10.326 1.833 -5.177 1.00 0.00 C ATOM 0 HA PRO A 54 -8.344 0.486 -3.065 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -7.011 1.972 -4.946 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -7.841 0.493 -5.388 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -8.850 3.369 -5.651 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -8.933 2.083 -6.838 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -11.086 2.609 -5.266 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -10.704 0.955 -5.700 1.00 0.00 H new ATOM 794 N GLU A 55 -8.834 3.618 -2.442 1.00 0.00 N ATOM 795 CA GLU A 55 -8.441 4.650 -1.485 1.00 0.00 C ATOM 796 C GLU A 55 -8.274 4.104 -0.053 1.00 0.00 C ATOM 797 O GLU A 55 -7.460 4.640 0.689 1.00 0.00 O ATOM 798 CB GLU A 55 -9.394 5.858 -1.546 1.00 0.00 C ATOM 799 CG GLU A 55 -8.999 6.904 -0.487 1.00 0.00 C ATOM 800 CD GLU A 55 -9.331 8.360 -0.786 1.00 0.00 C ATOM 801 OE1 GLU A 55 -9.799 8.661 -1.897 1.00 0.00 O ATOM 802 OE2 GLU A 55 -8.895 9.207 0.027 1.00 0.00 O ATOM 0 H GLU A 55 -9.709 3.806 -2.930 1.00 0.00 H new ATOM 0 HA GLU A 55 -7.452 5.000 -1.782 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -9.361 6.306 -2.539 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -10.420 5.530 -1.378 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -9.483 6.633 0.451 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -7.924 6.830 -0.324 1.00 0.00 H new ATOM 809 N SER A 56 -8.948 3.029 0.364 1.00 0.00 N ATOM 810 CA SER A 56 -8.809 2.505 1.723 1.00 0.00 C ATOM 811 C SER A 56 -7.437 1.861 1.954 1.00 0.00 C ATOM 812 O SER A 56 -6.867 1.966 3.043 1.00 0.00 O ATOM 813 CB SER A 56 -9.877 1.442 1.960 1.00 0.00 C ATOM 814 OG SER A 56 -11.152 1.812 1.467 1.00 0.00 O ATOM 0 H SER A 56 -9.597 2.504 -0.223 1.00 0.00 H new ATOM 0 HA SER A 56 -8.919 3.343 2.411 1.00 0.00 H new ATOM 0 HB2 SER A 56 -9.567 0.512 1.484 1.00 0.00 H new ATOM 0 HB3 SER A 56 -9.952 1.243 3.029 1.00 0.00 H new ATOM 0 HG SER A 56 -11.204 1.610 0.509 1.00 0.00 H new ATOM 820 N LEU A 57 -6.881 1.210 0.921 1.00 0.00 N ATOM 821 CA LEU A 57 -5.503 0.732 0.966 1.00 0.00 C ATOM 822 C LEU A 57 -4.548 1.923 0.921 1.00 0.00 C ATOM 823 O LEU A 57 -3.633 1.979 1.735 1.00 0.00 O ATOM 824 CB LEU A 57 -5.216 -0.213 -0.205 1.00 0.00 C ATOM 825 CG LEU A 57 -6.095 -1.473 -0.329 1.00 0.00 C ATOM 826 CD1 LEU A 57 -5.608 -2.231 -1.568 1.00 0.00 C ATOM 827 CD2 LEU A 57 -6.045 -2.401 0.896 1.00 0.00 C ATOM 0 H LEU A 57 -7.369 1.006 0.049 1.00 0.00 H new ATOM 0 HA LEU A 57 -5.355 0.180 1.894 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -5.311 0.357 -1.129 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.176 -0.533 -0.133 1.00 0.00 H new ATOM 0 HG LEU A 57 -7.135 -1.156 -0.406 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -6.203 -3.135 -1.698 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -5.715 -1.597 -2.448 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -4.560 -2.501 -1.440 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -6.691 -3.262 0.726 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -5.021 -2.740 1.054 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -6.387 -1.859 1.777 1.00 0.00 H new ATOM 839 N ARG A 58 -4.793 2.900 0.037 1.00 0.00 N ATOM 840 CA ARG A 58 -4.002 4.131 -0.054 1.00 0.00 C ATOM 841 C ARG A 58 -3.902 4.834 1.314 1.00 0.00 C ATOM 842 O ARG A 58 -2.806 5.169 1.756 1.00 0.00 O ATOM 843 CB ARG A 58 -4.602 5.019 -1.160 1.00 0.00 C ATOM 844 CG ARG A 58 -3.602 6.034 -1.733 1.00 0.00 C ATOM 845 CD ARG A 58 -3.974 7.477 -1.408 1.00 0.00 C ATOM 846 NE ARG A 58 -5.068 7.961 -2.264 1.00 0.00 N ATOM 847 CZ ARG A 58 -6.098 8.690 -1.855 1.00 0.00 C ATOM 848 NH1 ARG A 58 -6.178 9.148 -0.624 1.00 0.00 N ATOM 849 NH2 ARG A 58 -7.091 8.937 -2.686 1.00 0.00 N ATOM 0 H ARG A 58 -5.554 2.856 -0.641 1.00 0.00 H new ATOM 0 HA ARG A 58 -2.973 3.901 -0.330 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -4.968 4.385 -1.967 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -5.463 5.554 -0.760 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -2.609 5.822 -1.338 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -3.547 5.912 -2.815 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -4.271 7.550 -0.362 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -3.101 8.116 -1.537 1.00 0.00 H new ATOM 0 HE ARG A 58 -5.032 7.716 -3.253 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -5.435 8.945 0.045 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -6.983 9.706 -0.339 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -7.064 8.568 -3.637 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -7.886 9.497 -2.378 1.00 0.00 H new ATOM 863 N LYS A 59 -5.022 4.930 2.041 1.00 0.00 N ATOM 864 CA LYS A 59 -5.111 5.357 3.439 1.00 0.00 C ATOM 865 C LYS A 59 -4.346 4.456 4.415 1.00 0.00 C ATOM 866 O LYS A 59 -3.640 4.990 5.266 1.00 0.00 O ATOM 867 CB LYS A 59 -6.593 5.464 3.844 1.00 0.00 C ATOM 868 CG LYS A 59 -7.057 6.923 3.888 1.00 0.00 C ATOM 869 CD LYS A 59 -6.880 7.665 2.561 1.00 0.00 C ATOM 870 CE LYS A 59 -7.056 9.179 2.727 1.00 0.00 C ATOM 871 NZ LYS A 59 -8.472 9.599 2.672 1.00 0.00 N ATOM 0 H LYS A 59 -5.935 4.700 1.649 1.00 0.00 H new ATOM 0 HA LYS A 59 -4.627 6.331 3.505 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -7.206 4.907 3.136 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -6.739 5.005 4.822 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -8.109 6.952 4.173 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -6.502 7.448 4.665 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -5.889 7.456 2.157 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -7.604 7.292 1.837 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -6.627 9.488 3.680 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -6.498 9.693 1.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -8.552 10.592 2.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -8.825 9.502 1.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -9.037 8.999 3.306 1.00 0.00 H new ATOM 885 N ALA A 60 -4.422 3.123 4.299 1.00 0.00 N ATOM 886 CA ALA A 60 -3.593 2.247 5.133 1.00 0.00 C ATOM 887 C ALA A 60 -2.087 2.486 4.904 1.00 0.00 C ATOM 888 O ALA A 60 -1.308 2.416 5.851 1.00 0.00 O ATOM 889 CB ALA A 60 -3.998 0.793 4.887 1.00 0.00 C ATOM 0 H ALA A 60 -5.038 2.636 3.648 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.768 2.484 6.182 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.386 0.135 5.504 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -5.048 0.659 5.146 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.849 0.547 3.836 1.00 0.00 H new ATOM 895 N ILE A 61 -1.682 2.857 3.680 1.00 0.00 N ATOM 896 CA ILE A 61 -0.311 3.306 3.400 1.00 0.00 C ATOM 897 C ILE A 61 -0.029 4.646 4.081 1.00 0.00 C ATOM 898 O ILE A 61 0.882 4.700 4.906 1.00 0.00 O ATOM 899 CB ILE A 61 0.026 3.324 1.884 1.00 0.00 C ATOM 900 CG1 ILE A 61 -0.276 2.000 1.156 1.00 0.00 C ATOM 901 CG2 ILE A 61 1.506 3.684 1.699 1.00 0.00 C ATOM 902 CD1 ILE A 61 0.162 1.954 -0.312 1.00 0.00 C ATOM 0 H ILE A 61 -2.291 2.854 2.862 1.00 0.00 H new ATOM 0 HA ILE A 61 0.364 2.567 3.832 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.624 4.074 1.433 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.215 1.188 1.692 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.348 1.812 1.206 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.747 3.698 0.636 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.697 4.668 2.127 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.126 2.942 2.202 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.093 0.983 -0.738 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.349 2.740 -0.869 1.00 0.00 H new ATOM 0 HD13 ILE A 61 1.239 2.106 -0.375 1.00 0.00 H new ATOM 914 N GLU A 62 -0.819 5.695 3.814 1.00 0.00 N ATOM 915 CA GLU A 62 -0.682 7.016 4.440 1.00 0.00 C ATOM 916 C GLU A 62 -0.507 6.905 5.965 1.00 0.00 C ATOM 917 O GLU A 62 0.289 7.635 6.548 1.00 0.00 O ATOM 918 CB GLU A 62 -1.925 7.890 4.171 1.00 0.00 C ATOM 919 CG GLU A 62 -2.182 8.366 2.726 1.00 0.00 C ATOM 920 CD GLU A 62 -3.601 8.931 2.512 1.00 0.00 C ATOM 921 OE1 GLU A 62 -4.279 9.284 3.495 1.00 0.00 O ATOM 922 OE2 GLU A 62 -4.068 8.949 1.344 1.00 0.00 O ATOM 0 H GLU A 62 -1.586 5.647 3.143 1.00 0.00 H new ATOM 0 HA GLU A 62 0.204 7.474 4.000 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -2.802 7.332 4.499 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -1.854 8.774 4.805 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -1.451 9.132 2.468 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -2.024 7.532 2.043 1.00 0.00 H new ATOM 929 N ALA A 63 -1.177 5.940 6.607 1.00 0.00 N ATOM 930 CA ALA A 63 -1.212 5.769 8.060 1.00 0.00 C ATOM 931 C ALA A 63 0.023 5.080 8.669 1.00 0.00 C ATOM 932 O ALA A 63 0.082 4.914 9.885 1.00 0.00 O ATOM 933 CB ALA A 63 -2.514 5.035 8.413 1.00 0.00 C ATOM 0 H ALA A 63 -1.726 5.237 6.112 1.00 0.00 H new ATOM 0 HA ALA A 63 -1.185 6.761 8.511 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -2.570 4.892 9.492 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -3.367 5.627 8.081 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -2.531 4.065 7.917 1.00 0.00 H new ATOM 939 N VAL A 64 1.010 4.728 7.842 1.00 0.00 N ATOM 940 CA VAL A 64 2.257 4.064 8.259 1.00 0.00 C ATOM 941 C VAL A 64 3.400 5.057 8.464 1.00 0.00 C ATOM 942 O VAL A 64 4.287 4.829 9.281 1.00 0.00 O ATOM 943 CB VAL A 64 2.673 2.935 7.287 1.00 0.00 C ATOM 944 CG1 VAL A 64 3.560 3.326 6.122 1.00 0.00 C ATOM 945 CG2 VAL A 64 3.441 1.866 8.069 1.00 0.00 C ATOM 0 H VAL A 64 0.968 4.899 6.837 1.00 0.00 H new ATOM 0 HA VAL A 64 2.045 3.604 9.224 1.00 0.00 H new ATOM 0 HB VAL A 64 1.728 2.600 6.859 1.00 0.00 H new ATOM 0 HG11 VAL A 64 3.778 2.445 5.519 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.049 4.068 5.509 1.00 0.00 H new ATOM 0 HG13 VAL A 64 4.492 3.747 6.499 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.739 1.065 7.393 1.00 0.00 H new ATOM 0 HG22 VAL A 64 4.329 2.311 8.518 1.00 0.00 H new ATOM 0 HG23 VAL A 64 2.802 1.460 8.853 1.00 0.00 H new ATOM 955 N SER A 65 3.399 6.178 7.739 1.00 0.00 N ATOM 956 CA SER A 65 4.302 7.299 8.009 1.00 0.00 C ATOM 957 C SER A 65 3.670 8.659 7.648 1.00 0.00 C ATOM 958 O SER A 65 4.193 9.393 6.797 1.00 0.00 O ATOM 959 CB SER A 65 5.686 7.078 7.385 1.00 0.00 C ATOM 960 OG SER A 65 6.089 5.722 7.256 1.00 0.00 O ATOM 0 H SER A 65 2.773 6.334 6.949 1.00 0.00 H new ATOM 0 HA SER A 65 4.464 7.335 9.086 1.00 0.00 H new ATOM 0 HB2 SER A 65 5.697 7.538 6.397 1.00 0.00 H new ATOM 0 HB3 SER A 65 6.426 7.603 7.989 1.00 0.00 H new ATOM 0 HG SER A 65 6.120 5.479 6.307 1.00 0.00 H new ATOM 966 N PRO A 66 2.526 8.991 8.280 1.00 0.00 N ATOM 967 CA PRO A 66 1.760 10.191 7.983 1.00 0.00 C ATOM 968 C PRO A 66 2.597 11.449 8.204 1.00 0.00 C ATOM 969 O PRO A 66 3.376 11.536 9.152 1.00 0.00 O ATOM 970 CB PRO A 66 0.508 10.139 8.869 1.00 0.00 C ATOM 971 CG PRO A 66 0.883 9.164 9.985 1.00 0.00 C ATOM 972 CD PRO A 66 1.821 8.197 9.273 1.00 0.00 C ATOM 0 HA PRO A 66 1.467 10.231 6.934 1.00 0.00 H new ATOM 0 HB2 PRO A 66 0.259 11.123 9.266 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -0.361 9.791 8.311 1.00 0.00 H new ATOM 0 HG2 PRO A 66 1.375 9.668 10.817 1.00 0.00 H new ATOM 0 HG3 PRO A 66 0.008 8.656 10.392 1.00 0.00 H new ATOM 0 HD2 PRO A 66 2.518 7.739 9.975 1.00 0.00 H new ATOM 0 HD3 PRO A 66 1.264 7.386 8.803 1.00 0.00 H new ATOM 980 N GLY A 67 2.436 12.416 7.300 1.00 0.00 N ATOM 981 CA GLY A 67 3.288 13.600 7.183 1.00 0.00 C ATOM 982 C GLY A 67 4.235 13.470 5.991 1.00 0.00 C ATOM 983 O GLY A 67 4.207 14.326 5.112 1.00 0.00 O ATOM 0 H GLY A 67 1.687 12.396 6.608 1.00 0.00 H new ATOM 0 HA2 GLY A 67 2.669 14.489 7.066 1.00 0.00 H new ATOM 0 HA3 GLY A 67 3.864 13.731 8.099 1.00 0.00 H new ATOM 987 N LEU A 68 5.020 12.386 5.916 1.00 0.00 N ATOM 988 CA LEU A 68 5.881 12.103 4.766 1.00 0.00 C ATOM 989 C LEU A 68 5.091 11.594 3.575 1.00 0.00 C ATOM 990 O LEU A 68 5.329 11.995 2.444 1.00 0.00 O ATOM 991 CB LEU A 68 6.848 10.955 5.108 1.00 0.00 C ATOM 992 CG LEU A 68 7.797 11.135 6.274 1.00 0.00 C ATOM 993 CD1 LEU A 68 8.901 10.073 6.263 1.00 0.00 C ATOM 994 CD2 LEU A 68 8.400 12.541 6.424 1.00 0.00 C ATOM 0 H LEU A 68 5.074 11.682 6.653 1.00 0.00 H new ATOM 0 HA LEU A 68 6.388 13.039 4.531 1.00 0.00 H new ATOM 0 HB2 LEU A 68 6.250 10.064 5.301 1.00 0.00 H new ATOM 0 HB3 LEU A 68 7.447 10.751 4.221 1.00 0.00 H new ATOM 0 HG LEU A 68 7.168 11.002 7.154 1.00 0.00 H new ATOM 0 HD11 LEU A 68 9.565 10.230 7.113 1.00 0.00 H new ATOM 0 HD12 LEU A 68 8.453 9.082 6.331 1.00 0.00 H new ATOM 0 HD13 LEU A 68 9.471 10.151 5.337 1.00 0.00 H new ATOM 0 HD21 LEU A 68 9.064 12.562 7.288 1.00 0.00 H new ATOM 0 HD22 LEU A 68 8.965 12.792 5.526 1.00 0.00 H new ATOM 0 HD23 LEU A 68 7.599 13.267 6.564 1.00 0.00 H new ATOM 1006 N TYR A 69 4.190 10.648 3.843 1.00 0.00 N ATOM 1007 CA TYR A 69 3.620 9.799 2.816 1.00 0.00 C ATOM 1008 C TYR A 69 2.693 10.493 1.792 1.00 0.00 C ATOM 1009 O TYR A 69 1.465 10.464 1.905 1.00 0.00 O ATOM 1010 CB TYR A 69 2.995 8.548 3.472 1.00 0.00 C ATOM 1011 CG TYR A 69 3.940 7.372 3.697 1.00 0.00 C ATOM 1012 CD1 TYR A 69 5.318 7.535 3.952 1.00 0.00 C ATOM 1013 CD2 TYR A 69 3.435 6.067 3.579 1.00 0.00 C ATOM 1014 CE1 TYR A 69 6.149 6.416 4.145 1.00 0.00 C ATOM 1015 CE2 TYR A 69 4.280 4.949 3.630 1.00 0.00 C ATOM 1016 CZ TYR A 69 5.635 5.115 3.967 1.00 0.00 C ATOM 1017 OH TYR A 69 6.406 4.016 4.167 1.00 0.00 O ATOM 0 H TYR A 69 3.840 10.455 4.781 1.00 0.00 H new ATOM 0 HA TYR A 69 4.449 9.494 2.177 1.00 0.00 H new ATOM 0 HB2 TYR A 69 2.572 8.839 4.434 1.00 0.00 H new ATOM 0 HB3 TYR A 69 2.167 8.210 2.849 1.00 0.00 H new ATOM 0 HD1 TYR A 69 5.739 8.528 4.000 1.00 0.00 H new ATOM 0 HD2 TYR A 69 2.373 5.921 3.446 1.00 0.00 H new ATOM 0 HE1 TYR A 69 7.182 6.554 4.430 1.00 0.00 H new ATOM 0 HE2 TYR A 69 3.892 3.965 3.411 1.00 0.00 H new ATOM 0 HH TYR A 69 7.265 4.285 4.555 1.00 0.00 H new ATOM 1027 N ARG A 70 3.258 11.022 0.701 1.00 0.00 N ATOM 1028 CA ARG A 70 2.535 11.507 -0.486 1.00 0.00 C ATOM 1029 C ARG A 70 2.052 10.305 -1.305 1.00 0.00 C ATOM 1030 O ARG A 70 2.571 10.017 -2.388 1.00 0.00 O ATOM 1031 CB ARG A 70 3.522 12.356 -1.275 1.00 0.00 C ATOM 1032 CG ARG A 70 3.127 13.221 -2.471 1.00 0.00 C ATOM 1033 CD ARG A 70 1.858 12.918 -3.289 1.00 0.00 C ATOM 1034 NE ARG A 70 2.131 13.003 -4.738 1.00 0.00 N ATOM 1035 CZ ARG A 70 3.013 12.230 -5.371 1.00 0.00 C ATOM 1036 NH1 ARG A 70 3.330 11.014 -4.980 1.00 0.00 N ATOM 1037 NH2 ARG A 70 3.691 12.707 -6.388 1.00 0.00 N ATOM 0 H ARG A 70 4.269 11.129 0.615 1.00 0.00 H new ATOM 0 HA ARG A 70 1.658 12.099 -0.224 1.00 0.00 H new ATOM 0 HB2 ARG A 70 3.994 13.025 -0.556 1.00 0.00 H new ATOM 0 HB3 ARG A 70 4.295 11.675 -1.631 1.00 0.00 H new ATOM 0 HG2 ARG A 70 3.035 14.244 -2.107 1.00 0.00 H new ATOM 0 HG3 ARG A 70 3.966 13.205 -3.167 1.00 0.00 H new ATOM 0 HD2 ARG A 70 1.491 11.922 -3.042 1.00 0.00 H new ATOM 0 HD3 ARG A 70 1.071 13.623 -3.021 1.00 0.00 H new ATOM 0 HE ARG A 70 1.615 13.692 -5.285 1.00 0.00 H new ATOM 0 HH11 ARG A 70 2.892 10.615 -4.150 1.00 0.00 H new ATOM 0 HH12 ARG A 70 4.013 10.471 -5.507 1.00 0.00 H new ATOM 0 HH21 ARG A 70 3.543 13.669 -6.694 1.00 0.00 H new ATOM 0 HH22 ARG A 70 4.366 12.116 -6.873 1.00 0.00 H new ATOM 1051 N VAL A 71 1.085 9.569 -0.773 1.00 0.00 N ATOM 1052 CA VAL A 71 0.560 8.380 -1.457 1.00 0.00 C ATOM 1053 C VAL A 71 -0.361 8.773 -2.600 1.00 0.00 C ATOM 1054 O VAL A 71 -1.174 9.692 -2.514 1.00 0.00 O ATOM 1055 CB VAL A 71 -0.107 7.318 -0.556 1.00 0.00 C ATOM 1056 CG1 VAL A 71 -0.053 5.941 -1.247 1.00 0.00 C ATOM 1057 CG2 VAL A 71 0.588 7.189 0.802 1.00 0.00 C ATOM 0 H VAL A 71 0.646 9.768 0.126 1.00 0.00 H new ATOM 0 HA VAL A 71 1.449 7.883 -1.845 1.00 0.00 H new ATOM 0 HB VAL A 71 -1.135 7.642 -0.394 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -0.525 5.194 -0.608 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -0.582 5.990 -2.199 1.00 0.00 H new ATOM 0 HG13 VAL A 71 0.986 5.663 -1.424 1.00 0.00 H new ATOM 0 HG21 VAL A 71 0.082 6.430 1.399 1.00 0.00 H new ATOM 0 HG22 VAL A 71 1.628 6.899 0.652 1.00 0.00 H new ATOM 0 HG23 VAL A 71 0.549 8.146 1.323 1.00 0.00 H new ATOM 1067 N SER A 72 -0.210 8.053 -3.700 1.00 0.00 N ATOM 1068 CA SER A 72 -1.045 8.146 -4.889 1.00 0.00 C ATOM 1069 C SER A 72 -1.248 6.754 -5.506 1.00 0.00 C ATOM 1070 O SER A 72 -0.590 5.797 -5.109 1.00 0.00 O ATOM 1071 CB SER A 72 -0.369 9.125 -5.847 1.00 0.00 C ATOM 1072 OG SER A 72 -0.599 10.445 -5.379 1.00 0.00 O ATOM 0 H SER A 72 0.530 7.357 -3.794 1.00 0.00 H new ATOM 0 HA SER A 72 -2.042 8.517 -4.650 1.00 0.00 H new ATOM 0 HB2 SER A 72 0.701 8.924 -5.902 1.00 0.00 H new ATOM 0 HB3 SER A 72 -0.768 9.005 -6.854 1.00 0.00 H new ATOM 0 HG SER A 72 -0.952 10.411 -4.466 1.00 0.00 H new ATOM 1078 N ILE A 73 -2.168 6.621 -6.462 1.00 0.00 N ATOM 1079 CA ILE A 73 -2.428 5.396 -7.235 1.00 0.00 C ATOM 1080 C ILE A 73 -1.696 5.500 -8.568 1.00 0.00 C ATOM 1081 O ILE A 73 -1.755 6.531 -9.233 1.00 0.00 O ATOM 1082 CB ILE A 73 -3.959 5.210 -7.419 1.00 0.00 C ATOM 1083 CG1 ILE A 73 -4.634 5.017 -6.040 1.00 0.00 C ATOM 1084 CG2 ILE A 73 -4.292 4.029 -8.352 1.00 0.00 C ATOM 1085 CD1 ILE A 73 -6.161 4.877 -6.064 1.00 0.00 C ATOM 0 H ILE A 73 -2.779 7.391 -6.733 1.00 0.00 H new ATOM 0 HA ILE A 73 -2.058 4.517 -6.708 1.00 0.00 H new ATOM 0 HB ILE A 73 -4.349 6.111 -7.892 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -4.213 4.128 -5.570 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -4.375 5.865 -5.407 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -5.374 3.937 -8.451 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -3.851 4.205 -9.333 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -3.887 3.108 -7.932 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -6.530 4.747 -5.047 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -6.602 5.774 -6.498 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -6.438 4.010 -6.664 1.00 0.00 H new ATOM 1097 N THR A 74 -0.962 4.450 -8.937 1.00 0.00 N ATOM 1098 CA THR A 74 -0.026 4.450 -10.067 1.00 0.00 C ATOM 1099 C THR A 74 -0.707 4.038 -11.377 1.00 0.00 C ATOM 1100 O THR A 74 -0.192 3.215 -12.123 1.00 0.00 O ATOM 1101 CB THR A 74 1.198 3.584 -9.721 1.00 0.00 C ATOM 1102 OG1 THR A 74 1.464 3.638 -8.334 1.00 0.00 O ATOM 1103 CG2 THR A 74 2.435 4.147 -10.402 1.00 0.00 C ATOM 0 H THR A 74 -1.001 3.555 -8.449 1.00 0.00 H new ATOM 0 HA THR A 74 0.325 5.468 -10.239 1.00 0.00 H new ATOM 0 HB THR A 74 0.982 2.566 -10.044 1.00 0.00 H new ATOM 0 HG1 THR A 74 2.137 2.964 -8.103 1.00 0.00 H new ATOM 0 HG21 THR A 74 3.299 3.531 -10.154 1.00 0.00 H new ATOM 0 HG22 THR A 74 2.287 4.147 -11.482 1.00 0.00 H new ATOM 0 HG23 THR A 74 2.607 5.167 -10.059 1.00 0.00 H new ATOM 1111 N SER A 75 -1.878 4.610 -11.646 1.00 0.00 N ATOM 1112 CA SER A 75 -2.790 4.220 -12.737 1.00 0.00 C ATOM 1113 C SER A 75 -3.972 5.188 -12.852 1.00 0.00 C ATOM 1114 O SER A 75 -5.089 4.922 -12.406 1.00 0.00 O ATOM 1115 CB SER A 75 -3.268 2.764 -12.649 1.00 0.00 C ATOM 1116 OG SER A 75 -4.036 2.529 -11.480 1.00 0.00 O ATOM 0 H SER A 75 -2.238 5.388 -11.094 1.00 0.00 H new ATOM 0 HA SER A 75 -2.202 4.286 -13.652 1.00 0.00 H new ATOM 0 HB2 SER A 75 -3.864 2.524 -13.529 1.00 0.00 H new ATOM 0 HB3 SER A 75 -2.405 2.098 -12.657 1.00 0.00 H new ATOM 0 HG SER A 75 -4.722 3.224 -11.394 1.00 0.00 H new ATOM 1122 N GLU A 76 -3.648 6.342 -13.418 1.00 0.00 N ATOM 1123 CA GLU A 76 -4.528 7.390 -13.930 1.00 0.00 C ATOM 1124 C GLU A 76 -3.695 8.129 -14.987 1.00 0.00 C ATOM 1125 O GLU A 76 -3.506 9.339 -14.974 1.00 0.00 O ATOM 1126 CB GLU A 76 -5.094 8.265 -12.806 1.00 0.00 C ATOM 1127 CG GLU A 76 -6.266 9.105 -13.334 1.00 0.00 C ATOM 1128 CD GLU A 76 -7.030 9.838 -12.232 1.00 0.00 C ATOM 1129 OE1 GLU A 76 -6.402 10.215 -11.217 1.00 0.00 O ATOM 1130 OE2 GLU A 76 -8.255 10.003 -12.410 1.00 0.00 O ATOM 0 H GLU A 76 -2.668 6.595 -13.544 1.00 0.00 H new ATOM 0 HA GLU A 76 -5.434 6.999 -14.392 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -5.428 7.638 -11.979 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -4.314 8.919 -12.415 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -5.888 9.834 -14.051 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -6.955 8.456 -13.874 1.00 0.00 H new ATOM 1137 N VAL A 77 -3.075 7.311 -15.837 1.00 0.00 N ATOM 1138 CA VAL A 77 -2.033 7.662 -16.820 1.00 0.00 C ATOM 1139 C VAL A 77 -2.441 7.261 -18.251 1.00 0.00 C ATOM 1140 O VAL A 77 -1.625 7.250 -19.172 1.00 0.00 O ATOM 1141 CB VAL A 77 -0.675 7.031 -16.418 1.00 0.00 C ATOM 1142 CG1 VAL A 77 -0.244 7.468 -15.003 1.00 0.00 C ATOM 1143 CG2 VAL A 77 -0.675 5.492 -16.448 1.00 0.00 C ATOM 0 H VAL A 77 -3.298 6.316 -15.864 1.00 0.00 H new ATOM 0 HA VAL A 77 -1.919 8.746 -16.817 1.00 0.00 H new ATOM 0 HB VAL A 77 0.026 7.395 -17.169 1.00 0.00 H new ATOM 0 HG11 VAL A 77 0.712 7.007 -14.755 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -0.142 8.553 -14.972 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -0.997 7.154 -14.280 1.00 0.00 H new ATOM 0 HG21 VAL A 77 0.308 5.122 -16.155 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -1.426 5.115 -15.754 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -0.907 5.148 -17.456 1.00 0.00 H new TER 1153 VAL A 77