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 50 SER OG : rot 180:sc= 0.115 USER MOD Set 1.2: A 51 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 37 SER OG : rot -104:sc= 1.41 USER MOD Set 2.2: A 42 SER OG : rot 71:sc= 0.29 USER MOD Set 3.1: A 13 HIS : no HD1:sc= -0.183 X(o=0.0026,f=-0.072) USER MOD Set 3.2: A 17 CYS SG : rot -154:sc= -0.654 USER MOD Set 3.3: A 69 TYR OH : rot 12:sc= 0.839 USER MOD Single : A 1 ASN : amide:sc= 0.259 X(o=0.26,f=0) USER MOD Single : A 1 ASN N :NH3+ -107:sc= 0.0672 (180deg=0) USER MOD Single : A 3 SER OG : rot -114:sc= 0.839 USER MOD Single : A 4 THR OG1 : rot 31:sc= 0.181 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 MET CE :methyl 149:sc= -0.697 (180deg=-3.26!) USER MOD Single : A 14 CYS SG : rot 180:sc= 0.745 USER MOD Single : A 15 LYS NZ :NH3+ 138:sc= 1.09 (180deg=-0.3) USER MOD Single : A 16 SER OG : rot 180:sc= 0.0497 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -0.592 X(o=-0.59,f=-0.098) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 85:sc= 0.0323 USER MOD Single : A 26 SER OG : rot -31:sc= 0.984 USER MOD Single : A 29 GLN : amide:sc= -0.0176 X(o=-0.018,f=-0.28) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot -21:sc= 0.518 USER MOD Single : A 33 SER OG : rot 51:sc= 1.22 USER MOD Single : A 40 ASN : amide:sc= 0.345 X(o=0.34,f=-0.0011) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 ASN :FLIP amide:sc= 0.0217 F(o=-0.86,f=0.022) USER MOD Single : A 53 THR OG1 : rot 170:sc= -0.0405 USER MOD Single : A 56 SER OG : rot 180:sc= 0.00717 USER MOD Single : A 59 LYS NZ :NH3+ 176:sc= 1.18 (180deg=1.11) USER MOD Single : A 65 SER OG : rot 104:sc= 1.76 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 -13.301 -14.698 -7.447 1.00 0.00 N ATOM 2 CA ASN A 1 -12.080 -13.973 -7.816 1.00 0.00 C ATOM 3 C ASN A 1 -11.930 -12.743 -6.889 1.00 0.00 C ATOM 4 O ASN A 1 -12.939 -12.203 -6.426 1.00 0.00 O ATOM 5 CB ASN A 1 -12.185 -13.559 -9.300 1.00 0.00 C ATOM 6 CG ASN A 1 -10.840 -13.255 -9.950 1.00 0.00 C ATOM 7 OD1 ASN A 1 -10.362 -14.016 -10.778 1.00 0.00 O ATOM 8 ND2 ASN A 1 -10.201 -12.147 -9.620 1.00 0.00 N ATOM 0 H1 ASN A 1 -13.047 -15.580 -6.958 1.00 0.00 H new ATOM 0 H2 ASN A 1 -13.879 -14.106 -6.816 1.00 0.00 H new ATOM 0 H3 ASN A 1 -13.844 -14.922 -8.305 1.00 0.00 H new ATOM 0 HA ASN A 1 -11.196 -14.599 -7.694 1.00 0.00 H new ATOM 0 HB2 ASN A 1 -12.675 -14.358 -9.857 1.00 0.00 H new ATOM 0 HB3 ASN A 1 -12.823 -12.679 -9.378 1.00 0.00 H new ATOM 0 HD21 ASN A 1 -9.306 -11.925 -10.057 1.00 0.00 H new ATOM 0 HD22 ASN A 1 -10.602 -11.514 -8.929 1.00 0.00 H new ATOM 15 N ASP A 2 -10.700 -12.315 -6.611 1.00 0.00 N ATOM 16 CA ASP A 2 -10.313 -11.148 -5.807 1.00 0.00 C ATOM 17 C ASP A 2 -10.236 -9.833 -6.617 1.00 0.00 C ATOM 18 O ASP A 2 -10.610 -9.782 -7.791 1.00 0.00 O ATOM 19 CB ASP A 2 -8.944 -11.464 -5.171 1.00 0.00 C ATOM 20 CG ASP A 2 -7.897 -11.765 -6.252 1.00 0.00 C ATOM 21 OD1 ASP A 2 -7.930 -12.914 -6.753 1.00 0.00 O ATOM 22 OD2 ASP A 2 -7.144 -10.835 -6.605 1.00 0.00 O ATOM 0 H ASP A 2 -9.883 -12.810 -6.967 1.00 0.00 H new ATOM 0 HA ASP A 2 -11.083 -10.978 -5.054 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -8.616 -10.619 -4.566 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -9.038 -12.319 -4.501 1.00 0.00 H new ATOM 27 N SER A 3 -9.735 -8.766 -5.986 1.00 0.00 N ATOM 28 CA SER A 3 -9.356 -7.517 -6.645 1.00 0.00 C ATOM 29 C SER A 3 -7.898 -7.137 -6.346 1.00 0.00 C ATOM 30 O SER A 3 -7.236 -7.682 -5.459 1.00 0.00 O ATOM 31 CB SER A 3 -10.301 -6.395 -6.201 1.00 0.00 C ATOM 32 OG SER A 3 -10.127 -5.181 -6.921 1.00 0.00 O ATOM 0 H SER A 3 -9.579 -8.749 -4.978 1.00 0.00 H new ATOM 0 HA SER A 3 -9.441 -7.661 -7.722 1.00 0.00 H new ATOM 0 HB2 SER A 3 -11.331 -6.732 -6.318 1.00 0.00 H new ATOM 0 HB3 SER A 3 -10.148 -6.202 -5.139 1.00 0.00 H new ATOM 0 HG SER A 3 -9.795 -4.486 -6.315 1.00 0.00 H new ATOM 38 N THR A 4 -7.395 -6.136 -7.070 1.00 0.00 N ATOM 39 CA THR A 4 -6.033 -5.614 -6.940 1.00 0.00 C ATOM 40 C THR A 4 -6.024 -4.117 -7.223 1.00 0.00 C ATOM 41 O THR A 4 -6.791 -3.613 -8.041 1.00 0.00 O ATOM 42 CB THR A 4 -5.059 -6.420 -7.814 1.00 0.00 C ATOM 43 OG1 THR A 4 -4.724 -7.576 -7.100 1.00 0.00 O ATOM 44 CG2 THR A 4 -3.727 -5.734 -8.128 1.00 0.00 C ATOM 0 H THR A 4 -7.939 -5.652 -7.784 1.00 0.00 H new ATOM 0 HA THR A 4 -5.680 -5.737 -5.916 1.00 0.00 H new ATOM 0 HB THR A 4 -5.575 -6.579 -8.761 1.00 0.00 H new ATOM 0 HG1 THR A 4 -5.479 -7.841 -6.533 1.00 0.00 H new ATOM 0 HG21 THR A 4 -3.118 -6.390 -8.750 1.00 0.00 H new ATOM 0 HG22 THR A 4 -3.915 -4.801 -8.660 1.00 0.00 H new ATOM 0 HG23 THR A 4 -3.199 -5.522 -7.198 1.00 0.00 H new ATOM 52 N ALA A 5 -5.137 -3.412 -6.525 1.00 0.00 N ATOM 53 CA ALA A 5 -4.848 -1.990 -6.688 1.00 0.00 C ATOM 54 C ALA A 5 -3.352 -1.710 -6.464 1.00 0.00 C ATOM 55 O ALA A 5 -2.654 -2.518 -5.838 1.00 0.00 O ATOM 56 CB ALA A 5 -5.705 -1.202 -5.692 1.00 0.00 C ATOM 0 H ALA A 5 -4.571 -3.840 -5.792 1.00 0.00 H new ATOM 0 HA ALA A 5 -5.089 -1.679 -7.705 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -5.502 -0.137 -5.800 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -6.760 -1.392 -5.890 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -5.464 -1.516 -4.676 1.00 0.00 H new ATOM 62 N THR A 6 -2.874 -0.552 -6.932 1.00 0.00 N ATOM 63 CA THR A 6 -1.457 -0.165 -6.885 1.00 0.00 C ATOM 64 C THR A 6 -1.302 1.259 -6.386 1.00 0.00 C ATOM 65 O THR A 6 -2.106 2.144 -6.683 1.00 0.00 O ATOM 66 CB THR A 6 -0.806 -0.340 -8.252 1.00 0.00 C ATOM 67 OG1 THR A 6 -0.889 -1.698 -8.601 1.00 0.00 O ATOM 68 CG2 THR A 6 0.673 0.035 -8.301 1.00 0.00 C ATOM 0 H THR A 6 -3.470 0.156 -7.362 1.00 0.00 H new ATOM 0 HA THR A 6 -0.947 -0.823 -6.181 1.00 0.00 H new ATOM 0 HB THR A 6 -1.337 0.328 -8.930 1.00 0.00 H new ATOM 0 HG1 THR A 6 -0.477 -1.836 -9.480 1.00 0.00 H new ATOM 0 HG21 THR A 6 1.054 -0.120 -9.310 1.00 0.00 H new ATOM 0 HG22 THR A 6 0.792 1.083 -8.025 1.00 0.00 H new ATOM 0 HG23 THR A 6 1.230 -0.590 -7.603 1.00 0.00 H new ATOM 76 N PHE A 7 -0.242 1.451 -5.608 1.00 0.00 N ATOM 77 CA PHE A 7 0.016 2.646 -4.816 1.00 0.00 C ATOM 78 C PHE A 7 1.516 2.954 -4.756 1.00 0.00 C ATOM 79 O PHE A 7 2.341 2.050 -4.618 1.00 0.00 O ATOM 80 CB PHE A 7 -0.522 2.443 -3.393 1.00 0.00 C ATOM 81 CG PHE A 7 -1.952 1.909 -3.288 1.00 0.00 C ATOM 82 CD1 PHE A 7 -2.253 0.527 -3.350 1.00 0.00 C ATOM 83 CD2 PHE A 7 -3.018 2.822 -3.178 1.00 0.00 C ATOM 84 CE1 PHE A 7 -3.582 0.089 -3.363 1.00 0.00 C ATOM 85 CE2 PHE A 7 -4.349 2.377 -3.170 1.00 0.00 C ATOM 86 CZ PHE A 7 -4.631 1.011 -3.295 1.00 0.00 C ATOM 0 H PHE A 7 0.491 0.748 -5.509 1.00 0.00 H new ATOM 0 HA PHE A 7 -0.489 3.488 -5.289 1.00 0.00 H new ATOM 0 HB2 PHE A 7 0.141 1.755 -2.870 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -0.471 3.396 -2.867 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -1.451 -0.195 -3.388 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -2.809 3.879 -3.099 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -3.799 -0.967 -3.426 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -5.156 3.088 -3.067 1.00 0.00 H new ATOM 0 HZ PHE A 7 -5.655 0.671 -3.339 1.00 0.00 H new ATOM 96 N ILE A 8 1.906 4.225 -4.839 1.00 0.00 N ATOM 97 CA ILE A 8 3.299 4.663 -4.843 1.00 0.00 C ATOM 98 C ILE A 8 3.535 5.818 -3.875 1.00 0.00 C ATOM 99 O ILE A 8 2.773 6.780 -3.839 1.00 0.00 O ATOM 100 CB ILE A 8 3.734 4.963 -6.291 1.00 0.00 C ATOM 101 CG1 ILE A 8 5.260 5.160 -6.313 1.00 0.00 C ATOM 102 CG2 ILE A 8 3.000 6.148 -6.931 1.00 0.00 C ATOM 103 CD1 ILE A 8 5.890 4.947 -7.691 1.00 0.00 C ATOM 0 H ILE A 8 1.244 4.998 -4.907 1.00 0.00 H new ATOM 0 HA ILE A 8 3.936 3.860 -4.471 1.00 0.00 H new ATOM 0 HB ILE A 8 3.454 4.108 -6.906 1.00 0.00 H new ATOM 0 HG12 ILE A 8 5.492 6.168 -5.970 1.00 0.00 H new ATOM 0 HG13 ILE A 8 5.717 4.469 -5.604 1.00 0.00 H new ATOM 0 HG21 ILE A 8 3.363 6.294 -7.948 1.00 0.00 H new ATOM 0 HG22 ILE A 8 1.930 5.944 -6.953 1.00 0.00 H new ATOM 0 HG23 ILE A 8 3.185 7.049 -6.347 1.00 0.00 H new ATOM 0 HD11 ILE A 8 6.967 5.103 -7.627 1.00 0.00 H new ATOM 0 HD12 ILE A 8 5.690 3.930 -8.029 1.00 0.00 H new ATOM 0 HD13 ILE A 8 5.462 5.656 -8.400 1.00 0.00 H new ATOM 115 N ILE A 9 4.583 5.677 -3.066 1.00 0.00 N ATOM 116 CA ILE A 9 4.918 6.502 -1.914 1.00 0.00 C ATOM 117 C ILE A 9 6.143 7.374 -2.231 1.00 0.00 C ATOM 118 O ILE A 9 7.289 6.986 -2.022 1.00 0.00 O ATOM 119 CB ILE A 9 5.173 5.608 -0.675 1.00 0.00 C ATOM 120 CG1 ILE A 9 4.084 4.552 -0.359 1.00 0.00 C ATOM 121 CG2 ILE A 9 5.320 6.525 0.552 1.00 0.00 C ATOM 122 CD1 ILE A 9 4.083 3.259 -1.169 1.00 0.00 C ATOM 0 H ILE A 9 5.265 4.932 -3.210 1.00 0.00 H new ATOM 0 HA ILE A 9 4.080 7.162 -1.688 1.00 0.00 H new ATOM 0 HB ILE A 9 6.071 5.036 -0.909 1.00 0.00 H new ATOM 0 HG12 ILE A 9 4.173 4.286 0.694 1.00 0.00 H new ATOM 0 HG13 ILE A 9 3.111 5.027 -0.487 1.00 0.00 H new ATOM 0 HG21 ILE A 9 5.501 5.919 1.440 1.00 0.00 H new ATOM 0 HG22 ILE A 9 6.158 7.205 0.400 1.00 0.00 H new ATOM 0 HG23 ILE A 9 4.405 7.102 0.687 1.00 0.00 H new ATOM 0 HD11 ILE A 9 3.265 2.621 -0.835 1.00 0.00 H new ATOM 0 HD12 ILE A 9 3.953 3.492 -2.226 1.00 0.00 H new ATOM 0 HD13 ILE A 9 5.030 2.739 -1.026 1.00 0.00 H new ATOM 134 N ASP A 10 5.896 8.596 -2.677 1.00 0.00 N ATOM 135 CA ASP A 10 6.907 9.620 -3.016 1.00 0.00 C ATOM 136 C ASP A 10 7.581 10.278 -1.793 1.00 0.00 C ATOM 137 O ASP A 10 8.364 11.215 -1.925 1.00 0.00 O ATOM 138 CB ASP A 10 6.200 10.695 -3.866 1.00 0.00 C ATOM 139 CG ASP A 10 6.489 10.681 -5.370 1.00 0.00 C ATOM 140 OD1 ASP A 10 7.392 9.950 -5.834 1.00 0.00 O ATOM 141 OD2 ASP A 10 5.725 11.396 -6.058 1.00 0.00 O ATOM 0 H ASP A 10 4.943 8.930 -2.824 1.00 0.00 H new ATOM 0 HA ASP A 10 7.716 9.126 -3.555 1.00 0.00 H new ATOM 0 HB2 ASP A 10 5.125 10.588 -3.725 1.00 0.00 H new ATOM 0 HB3 ASP A 10 6.477 11.674 -3.475 1.00 0.00 H new ATOM 146 N GLY A 11 7.244 9.796 -0.597 1.00 0.00 N ATOM 147 CA GLY A 11 7.723 10.282 0.699 1.00 0.00 C ATOM 148 C GLY A 11 8.171 9.123 1.571 1.00 0.00 C ATOM 149 O GLY A 11 8.051 9.180 2.788 1.00 0.00 O ATOM 0 H GLY A 11 6.595 9.015 -0.500 1.00 0.00 H new ATOM 0 HA2 GLY A 11 8.552 10.974 0.550 1.00 0.00 H new ATOM 0 HA3 GLY A 11 6.930 10.837 1.201 1.00 0.00 H new ATOM 153 N MET A 12 8.598 8.022 0.953 1.00 0.00 N ATOM 154 CA MET A 12 9.077 6.838 1.650 1.00 0.00 C ATOM 155 C MET A 12 10.499 7.075 2.142 1.00 0.00 C ATOM 156 O MET A 12 11.320 7.585 1.387 1.00 0.00 O ATOM 157 CB MET A 12 9.024 5.640 0.694 1.00 0.00 C ATOM 158 CG MET A 12 8.818 4.318 1.400 1.00 0.00 C ATOM 159 SD MET A 12 9.984 3.005 0.937 1.00 0.00 S ATOM 160 CE MET A 12 8.833 1.936 0.028 1.00 0.00 C ATOM 0 H MET A 12 8.619 7.931 -0.063 1.00 0.00 H new ATOM 0 HA MET A 12 8.446 6.629 2.514 1.00 0.00 H new ATOM 0 HB2 MET A 12 8.216 5.791 -0.022 1.00 0.00 H new ATOM 0 HB3 MET A 12 9.952 5.598 0.123 1.00 0.00 H new ATOM 0 HG2 MET A 12 8.890 4.483 2.475 1.00 0.00 H new ATOM 0 HG3 MET A 12 7.805 3.970 1.198 1.00 0.00 H new ATOM 0 HE1 MET A 12 9.370 1.413 -0.764 1.00 0.00 H new ATOM 0 HE2 MET A 12 8.395 1.208 0.711 1.00 0.00 H new ATOM 0 HE3 MET A 12 8.041 2.544 -0.411 1.00 0.00 H new ATOM 170 N HIS A 13 10.818 6.634 3.361 1.00 0.00 N ATOM 171 CA HIS A 13 12.156 6.855 3.918 1.00 0.00 C ATOM 172 C HIS A 13 13.286 6.358 3.006 1.00 0.00 C ATOM 173 O HIS A 13 14.298 7.045 2.898 1.00 0.00 O ATOM 174 CB HIS A 13 12.301 6.100 5.241 1.00 0.00 C ATOM 175 CG HIS A 13 11.629 6.694 6.454 1.00 0.00 C ATOM 176 ND1 HIS A 13 12.196 6.755 7.709 1.00 0.00 N ATOM 177 CD2 HIS A 13 10.360 7.199 6.565 1.00 0.00 C ATOM 178 CE1 HIS A 13 11.291 7.268 8.553 1.00 0.00 C ATOM 179 NE2 HIS A 13 10.157 7.545 7.902 1.00 0.00 N ATOM 0 H HIS A 13 10.179 6.129 3.975 1.00 0.00 H new ATOM 0 HA HIS A 13 12.247 7.934 4.040 1.00 0.00 H new ATOM 0 HB2 HIS A 13 11.911 5.092 5.099 1.00 0.00 H new ATOM 0 HB3 HIS A 13 13.365 6.002 5.459 1.00 0.00 H new ATOM 0 HD2 HIS A 13 9.646 7.309 5.763 1.00 0.00 H new ATOM 0 HE1 HIS A 13 11.454 7.434 9.608 1.00 0.00 H new ATOM 0 HE2 HIS A 13 9.305 7.935 8.305 1.00 0.00 H new ATOM 187 N CYS A 14 13.136 5.158 2.406 1.00 0.00 N ATOM 188 CA CYS A 14 14.238 4.471 1.698 1.00 0.00 C ATOM 189 C CYS A 14 13.917 3.044 1.251 1.00 0.00 C ATOM 190 O CYS A 14 13.511 2.810 0.118 1.00 0.00 O ATOM 191 CB CYS A 14 15.573 4.506 2.502 1.00 0.00 C ATOM 192 SG CYS A 14 15.375 4.013 4.254 1.00 0.00 S ATOM 0 H CYS A 14 12.256 4.642 2.398 1.00 0.00 H new ATOM 0 HA CYS A 14 14.366 5.051 0.784 1.00 0.00 H new ATOM 0 HB2 CYS A 14 16.294 3.843 2.024 1.00 0.00 H new ATOM 0 HB3 CYS A 14 15.989 5.513 2.460 1.00 0.00 H new ATOM 0 HG CYS A 14 16.528 4.066 4.853 1.00 0.00 H new ATOM 198 N LYS A 15 14.180 2.098 2.151 1.00 0.00 N ATOM 199 CA LYS A 15 14.220 0.654 1.927 1.00 0.00 C ATOM 200 C LYS A 15 13.607 -0.100 3.119 1.00 0.00 C ATOM 201 O LYS A 15 12.637 -0.810 2.919 1.00 0.00 O ATOM 202 CB LYS A 15 15.687 0.265 1.615 1.00 0.00 C ATOM 203 CG LYS A 15 15.906 -0.311 0.201 1.00 0.00 C ATOM 204 CD LYS A 15 15.396 0.591 -0.936 1.00 0.00 C ATOM 205 CE LYS A 15 15.780 0.096 -2.335 1.00 0.00 C ATOM 206 NZ LYS A 15 15.095 0.924 -3.366 1.00 0.00 N ATOM 0 H LYS A 15 14.385 2.336 3.121 1.00 0.00 H new ATOM 0 HA LYS A 15 13.608 0.364 1.073 1.00 0.00 H new ATOM 0 HB2 LYS A 15 16.318 1.146 1.737 1.00 0.00 H new ATOM 0 HB3 LYS A 15 16.019 -0.469 2.349 1.00 0.00 H new ATOM 0 HG2 LYS A 15 16.971 -0.491 0.056 1.00 0.00 H new ATOM 0 HG3 LYS A 15 15.407 -1.278 0.134 1.00 0.00 H new ATOM 0 HD2 LYS A 15 14.310 0.663 -0.871 1.00 0.00 H new ATOM 0 HD3 LYS A 15 15.791 1.597 -0.795 1.00 0.00 H new ATOM 0 HE2 LYS A 15 16.860 0.153 -2.468 1.00 0.00 H new ATOM 0 HE3 LYS A 15 15.500 -0.951 -2.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 15.758 1.135 -4.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 14.279 0.402 -3.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 14.769 1.813 -2.937 1.00 0.00 H new ATOM 220 N SER A 16 13.981 0.150 4.375 1.00 0.00 N ATOM 221 CA SER A 16 13.269 -0.429 5.539 1.00 0.00 C ATOM 222 C SER A 16 11.770 -0.069 5.562 1.00 0.00 C ATOM 223 O SER A 16 10.958 -0.863 6.034 1.00 0.00 O ATOM 224 CB SER A 16 13.941 0.041 6.841 1.00 0.00 C ATOM 225 OG SER A 16 15.350 0.148 6.675 1.00 0.00 O ATOM 0 H SER A 16 14.770 0.747 4.622 1.00 0.00 H new ATOM 0 HA SER A 16 13.333 -1.514 5.451 1.00 0.00 H new ATOM 0 HB2 SER A 16 13.531 1.006 7.138 1.00 0.00 H new ATOM 0 HB3 SER A 16 13.718 -0.661 7.644 1.00 0.00 H new ATOM 0 HG SER A 16 15.756 0.450 7.514 1.00 0.00 H new ATOM 231 N CYS A 17 11.382 1.066 4.959 1.00 0.00 N ATOM 232 CA CYS A 17 9.975 1.406 4.753 1.00 0.00 C ATOM 233 C CYS A 17 9.217 0.336 3.951 1.00 0.00 C ATOM 234 O CYS A 17 8.113 0.001 4.358 1.00 0.00 O ATOM 235 CB CYS A 17 9.846 2.845 4.219 1.00 0.00 C ATOM 236 SG CYS A 17 9.634 3.967 5.624 1.00 0.00 S ATOM 0 H CYS A 17 12.034 1.766 4.605 1.00 0.00 H new ATOM 0 HA CYS A 17 9.465 1.399 5.716 1.00 0.00 H new ATOM 0 HB2 CYS A 17 10.734 3.117 3.648 1.00 0.00 H new ATOM 0 HB3 CYS A 17 8.995 2.922 3.542 1.00 0.00 H new ATOM 0 HG CYS A 17 8.998 5.033 5.236 1.00 0.00 H new ATOM 242 N VAL A 18 9.822 -0.265 2.926 1.00 0.00 N ATOM 243 CA VAL A 18 9.254 -1.321 2.060 1.00 0.00 C ATOM 244 C VAL A 18 8.595 -2.441 2.890 1.00 0.00 C ATOM 245 O VAL A 18 7.448 -2.815 2.663 1.00 0.00 O ATOM 246 CB VAL A 18 10.394 -1.913 1.180 1.00 0.00 C ATOM 247 CG1 VAL A 18 10.001 -3.096 0.317 1.00 0.00 C ATOM 248 CG2 VAL A 18 11.042 -0.866 0.253 1.00 0.00 C ATOM 0 H VAL A 18 10.775 -0.021 2.655 1.00 0.00 H new ATOM 0 HA VAL A 18 8.480 -0.880 1.432 1.00 0.00 H new ATOM 0 HB VAL A 18 11.103 -2.260 1.932 1.00 0.00 H new ATOM 0 HG11 VAL A 18 10.866 -3.432 -0.255 1.00 0.00 H new ATOM 0 HG12 VAL A 18 9.648 -3.909 0.952 1.00 0.00 H new ATOM 0 HG13 VAL A 18 9.206 -2.799 -0.367 1.00 0.00 H new ATOM 0 HG21 VAL A 18 11.829 -1.338 -0.335 1.00 0.00 H new ATOM 0 HG22 VAL A 18 10.286 -0.455 -0.416 1.00 0.00 H new ATOM 0 HG23 VAL A 18 11.470 -0.063 0.854 1.00 0.00 H new ATOM 258 N SER A 19 9.306 -2.903 3.921 1.00 0.00 N ATOM 259 CA SER A 19 8.886 -3.957 4.854 1.00 0.00 C ATOM 260 C SER A 19 7.707 -3.550 5.752 1.00 0.00 C ATOM 261 O SER A 19 6.789 -4.337 5.975 1.00 0.00 O ATOM 262 CB SER A 19 10.110 -4.240 5.736 1.00 0.00 C ATOM 263 OG SER A 19 9.974 -5.440 6.472 1.00 0.00 O ATOM 0 H SER A 19 10.233 -2.537 4.140 1.00 0.00 H new ATOM 0 HA SER A 19 8.543 -4.822 4.286 1.00 0.00 H new ATOM 0 HB2 SER A 19 11.000 -4.299 5.110 1.00 0.00 H new ATOM 0 HB3 SER A 19 10.259 -3.409 6.425 1.00 0.00 H new ATOM 0 HG SER A 19 10.776 -5.582 7.018 1.00 0.00 H new ATOM 269 N ASN A 20 7.685 -2.311 6.252 1.00 0.00 N ATOM 270 CA ASN A 20 6.527 -1.784 6.985 1.00 0.00 C ATOM 271 C ASN A 20 5.272 -1.748 6.122 1.00 0.00 C ATOM 272 O ASN A 20 4.167 -1.955 6.616 1.00 0.00 O ATOM 273 CB ASN A 20 6.788 -0.347 7.408 1.00 0.00 C ATOM 274 CG ASN A 20 7.987 -0.207 8.321 1.00 0.00 C ATOM 275 OD1 ASN A 20 8.273 -1.028 9.177 1.00 0.00 O ATOM 276 ND2 ASN A 20 8.756 0.836 8.108 1.00 0.00 N ATOM 0 H ASN A 20 8.458 -1.651 6.163 1.00 0.00 H new ATOM 0 HA ASN A 20 6.379 -2.445 7.839 1.00 0.00 H new ATOM 0 HB2 ASN A 20 6.942 0.265 6.519 1.00 0.00 H new ATOM 0 HB3 ASN A 20 5.905 0.043 7.915 1.00 0.00 H new ATOM 0 HD21 ASN A 20 9.603 0.967 8.661 1.00 0.00 H new ATOM 0 HD22 ASN A 20 8.506 1.516 7.389 1.00 0.00 H new ATOM 283 N ILE A 21 5.444 -1.430 4.836 1.00 0.00 N ATOM 284 CA ILE A 21 4.311 -1.292 3.922 1.00 0.00 C ATOM 285 C ILE A 21 3.662 -2.657 3.730 1.00 0.00 C ATOM 286 O ILE A 21 2.458 -2.767 3.915 1.00 0.00 O ATOM 287 CB ILE A 21 4.712 -0.628 2.590 1.00 0.00 C ATOM 288 CG1 ILE A 21 5.689 0.573 2.784 1.00 0.00 C ATOM 289 CG2 ILE A 21 3.398 -0.319 1.843 1.00 0.00 C ATOM 290 CD1 ILE A 21 5.421 1.799 1.908 1.00 0.00 C ATOM 0 H ILE A 21 6.354 -1.264 4.407 1.00 0.00 H new ATOM 0 HA ILE A 21 3.577 -0.617 4.362 1.00 0.00 H new ATOM 0 HB ILE A 21 5.311 -1.293 1.968 1.00 0.00 H new ATOM 0 HG12 ILE A 21 5.652 0.882 3.829 1.00 0.00 H new ATOM 0 HG13 ILE A 21 6.704 0.226 2.590 1.00 0.00 H new ATOM 0 HG21 ILE A 21 3.625 0.155 0.888 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.852 -1.246 1.668 1.00 0.00 H new ATOM 0 HG23 ILE A 21 2.787 0.353 2.445 1.00 0.00 H new ATOM 0 HD11 ILE A 21 6.159 2.571 2.126 1.00 0.00 H new ATOM 0 HD12 ILE A 21 5.490 1.518 0.857 1.00 0.00 H new ATOM 0 HD13 ILE A 21 4.422 2.183 2.116 1.00 0.00 H new ATOM 302 N GLU A 22 4.472 -3.688 3.493 1.00 0.00 N ATOM 303 CA GLU A 22 4.043 -5.085 3.477 1.00 0.00 C ATOM 304 C GLU A 22 3.355 -5.481 4.789 1.00 0.00 C ATOM 305 O GLU A 22 2.249 -6.003 4.753 1.00 0.00 O ATOM 306 CB GLU A 22 5.270 -5.959 3.187 1.00 0.00 C ATOM 307 CG GLU A 22 5.718 -5.789 1.729 1.00 0.00 C ATOM 308 CD GLU A 22 5.591 -7.030 0.850 1.00 0.00 C ATOM 309 OE1 GLU A 22 6.066 -8.099 1.283 1.00 0.00 O ATOM 310 OE2 GLU A 22 5.086 -6.854 -0.287 1.00 0.00 O ATOM 0 H GLU A 22 5.467 -3.572 3.302 1.00 0.00 H new ATOM 0 HA GLU A 22 3.299 -5.233 2.695 1.00 0.00 H new ATOM 0 HB2 GLU A 22 6.085 -5.687 3.858 1.00 0.00 H new ATOM 0 HB3 GLU A 22 5.033 -7.005 3.381 1.00 0.00 H new ATOM 0 HG2 GLU A 22 5.133 -4.986 1.280 1.00 0.00 H new ATOM 0 HG3 GLU A 22 6.759 -5.467 1.723 1.00 0.00 H new ATOM 317 N SER A 23 3.942 -5.188 5.950 1.00 0.00 N ATOM 318 CA SER A 23 3.354 -5.587 7.242 1.00 0.00 C ATOM 319 C SER A 23 2.014 -4.915 7.588 1.00 0.00 C ATOM 320 O SER A 23 1.096 -5.586 8.065 1.00 0.00 O ATOM 321 CB SER A 23 4.390 -5.329 8.340 1.00 0.00 C ATOM 322 OG SER A 23 4.015 -5.891 9.584 1.00 0.00 O ATOM 0 H SER A 23 4.822 -4.678 6.029 1.00 0.00 H new ATOM 0 HA SER A 23 3.107 -6.646 7.163 1.00 0.00 H new ATOM 0 HB2 SER A 23 5.350 -5.743 8.033 1.00 0.00 H new ATOM 0 HB3 SER A 23 4.529 -4.254 8.458 1.00 0.00 H new ATOM 0 HG SER A 23 4.708 -5.701 10.251 1.00 0.00 H new ATOM 328 N THR A 24 1.879 -3.606 7.327 1.00 0.00 N ATOM 329 CA THR A 24 0.638 -2.848 7.553 1.00 0.00 C ATOM 330 C THR A 24 -0.443 -3.275 6.569 1.00 0.00 C ATOM 331 O THR A 24 -1.588 -3.513 6.953 1.00 0.00 O ATOM 332 CB THR A 24 0.927 -1.335 7.503 1.00 0.00 C ATOM 333 OG1 THR A 24 1.815 -1.054 8.556 1.00 0.00 O ATOM 334 CG2 THR A 24 -0.320 -0.486 7.755 1.00 0.00 C ATOM 0 H THR A 24 2.637 -3.037 6.949 1.00 0.00 H new ATOM 0 HA THR A 24 0.254 -3.071 8.549 1.00 0.00 H new ATOM 0 HB THR A 24 1.315 -1.098 6.513 1.00 0.00 H new ATOM 0 HG1 THR A 24 2.734 -1.229 8.264 1.00 0.00 H new ATOM 0 HG21 THR A 24 -0.056 0.571 7.708 1.00 0.00 H new ATOM 0 HG22 THR A 24 -1.070 -0.707 6.996 1.00 0.00 H new ATOM 0 HG23 THR A 24 -0.723 -0.716 8.741 1.00 0.00 H new ATOM 342 N LEU A 25 -0.094 -3.353 5.288 1.00 0.00 N ATOM 343 CA LEU A 25 -1.041 -3.695 4.230 1.00 0.00 C ATOM 344 C LEU A 25 -1.382 -5.174 4.162 1.00 0.00 C ATOM 345 O LEU A 25 -2.455 -5.487 3.673 1.00 0.00 O ATOM 346 CB LEU A 25 -0.505 -3.222 2.883 1.00 0.00 C ATOM 347 CG LEU A 25 -0.589 -1.703 2.611 1.00 0.00 C ATOM 348 CD1 LEU A 25 -1.966 -1.403 2.007 1.00 0.00 C ATOM 349 CD2 LEU A 25 -0.380 -0.790 3.835 1.00 0.00 C ATOM 0 H LEU A 25 0.854 -3.181 4.953 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.970 -3.181 4.474 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.538 -3.527 2.803 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.050 -3.742 2.095 1.00 0.00 H new ATOM 0 HG LEU A 25 0.238 -1.475 1.938 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.050 -0.335 1.806 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.084 -1.958 1.076 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.744 -1.702 2.709 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.460 0.253 3.529 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.140 -1.007 4.585 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.608 -0.969 4.258 1.00 0.00 H new ATOM 361 N SER A 26 -0.545 -6.093 4.625 1.00 0.00 N ATOM 362 CA SER A 26 -0.905 -7.517 4.612 1.00 0.00 C ATOM 363 C SER A 26 -1.803 -7.912 5.812 1.00 0.00 C ATOM 364 O SER A 26 -2.031 -9.102 6.048 1.00 0.00 O ATOM 365 CB SER A 26 0.373 -8.357 4.498 1.00 0.00 C ATOM 366 OG SER A 26 0.090 -9.744 4.547 1.00 0.00 O ATOM 0 H SER A 26 0.377 -5.889 5.011 1.00 0.00 H new ATOM 0 HA SER A 26 -1.521 -7.723 3.737 1.00 0.00 H new ATOM 0 HB2 SER A 26 0.882 -8.121 3.563 1.00 0.00 H new ATOM 0 HB3 SER A 26 1.055 -8.095 5.307 1.00 0.00 H new ATOM 0 HG SER A 26 -0.700 -9.897 5.106 1.00 0.00 H new ATOM 372 N ALA A 27 -2.340 -6.939 6.566 1.00 0.00 N ATOM 373 CA ALA A 27 -3.011 -7.172 7.851 1.00 0.00 C ATOM 374 C ALA A 27 -4.462 -6.659 7.903 1.00 0.00 C ATOM 375 O ALA A 27 -5.073 -6.636 8.972 1.00 0.00 O ATOM 376 CB ALA A 27 -2.134 -6.519 8.931 1.00 0.00 C ATOM 0 H ALA A 27 -2.319 -5.956 6.295 1.00 0.00 H new ATOM 0 HA ALA A 27 -3.111 -8.245 8.013 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -2.592 -6.665 9.909 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -1.145 -6.976 8.922 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -2.043 -5.452 8.729 1.00 0.00 H new ATOM 382 N LEU A 28 -5.022 -6.197 6.778 1.00 0.00 N ATOM 383 CA LEU A 28 -6.306 -5.495 6.777 1.00 0.00 C ATOM 384 C LEU A 28 -7.499 -6.466 6.715 1.00 0.00 C ATOM 385 O LEU A 28 -7.431 -7.509 6.065 1.00 0.00 O ATOM 386 CB LEU A 28 -6.357 -4.438 5.654 1.00 0.00 C ATOM 387 CG LEU A 28 -5.179 -3.436 5.682 1.00 0.00 C ATOM 388 CD1 LEU A 28 -4.949 -2.761 4.328 1.00 0.00 C ATOM 389 CD2 LEU A 28 -5.471 -2.344 6.711 1.00 0.00 C ATOM 0 H LEU A 28 -4.602 -6.299 5.854 1.00 0.00 H new ATOM 0 HA LEU A 28 -6.392 -4.968 7.727 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -6.366 -4.947 4.690 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -7.293 -3.885 5.731 1.00 0.00 H new ATOM 0 HG LEU A 28 -4.284 -4.002 5.938 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.111 -2.068 4.405 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.726 -3.519 3.577 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.846 -2.215 4.037 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.643 -1.635 6.734 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -6.388 -1.822 6.437 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -5.590 -2.795 7.696 1.00 0.00 H new ATOM 401 N GLN A 29 -8.641 -6.046 7.272 1.00 0.00 N ATOM 402 CA GLN A 29 -9.935 -6.765 7.326 1.00 0.00 C ATOM 403 C GLN A 29 -10.622 -6.952 5.948 1.00 0.00 C ATOM 404 O GLN A 29 -11.833 -7.120 5.863 1.00 0.00 O ATOM 405 CB GLN A 29 -10.865 -6.025 8.314 1.00 0.00 C ATOM 406 CG GLN A 29 -10.409 -6.104 9.779 1.00 0.00 C ATOM 407 CD GLN A 29 -10.560 -7.515 10.340 1.00 0.00 C ATOM 408 OE1 GLN A 29 -9.722 -8.375 10.146 1.00 0.00 O ATOM 409 NE2 GLN A 29 -11.633 -7.820 11.041 1.00 0.00 N ATOM 0 H GLN A 29 -8.697 -5.136 7.729 1.00 0.00 H new ATOM 0 HA GLN A 29 -9.729 -7.779 7.669 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -10.930 -4.977 8.020 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -11.869 -6.442 8.234 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -9.367 -5.792 9.854 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -10.994 -5.408 10.381 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -12.347 -7.113 11.214 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -11.750 -8.764 11.410 1.00 0.00 H new ATOM 418 N TYR A 30 -9.845 -6.906 4.865 1.00 0.00 N ATOM 419 CA TYR A 30 -10.256 -7.020 3.465 1.00 0.00 C ATOM 420 C TYR A 30 -9.070 -7.252 2.510 1.00 0.00 C ATOM 421 O TYR A 30 -9.212 -7.015 1.315 1.00 0.00 O ATOM 422 CB TYR A 30 -11.087 -5.797 3.038 1.00 0.00 C ATOM 423 CG TYR A 30 -10.613 -4.444 3.563 1.00 0.00 C ATOM 424 CD1 TYR A 30 -9.285 -3.999 3.376 1.00 0.00 C ATOM 425 CD2 TYR A 30 -11.512 -3.631 4.286 1.00 0.00 C ATOM 426 CE1 TYR A 30 -8.885 -2.745 3.865 1.00 0.00 C ATOM 427 CE2 TYR A 30 -11.108 -2.386 4.804 1.00 0.00 C ATOM 428 CZ TYR A 30 -9.786 -1.935 4.585 1.00 0.00 C ATOM 429 OH TYR A 30 -9.366 -0.741 5.082 1.00 0.00 O ATOM 0 H TYR A 30 -8.837 -6.779 4.950 1.00 0.00 H new ATOM 0 HA TYR A 30 -10.884 -7.908 3.392 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -11.102 -5.756 1.949 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -12.115 -5.950 3.365 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -8.576 -4.625 2.855 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -12.525 -3.969 4.444 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -7.878 -2.398 3.688 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -11.803 -1.779 5.365 1.00 0.00 H new ATOM 0 HH TYR A 30 -10.107 -0.303 5.552 1.00 0.00 H new ATOM 439 N VAL A 31 -7.899 -7.715 2.969 1.00 0.00 N ATOM 440 CA VAL A 31 -6.757 -8.005 2.071 1.00 0.00 C ATOM 441 C VAL A 31 -6.238 -9.430 2.220 1.00 0.00 C ATOM 442 O VAL A 31 -6.168 -9.957 3.323 1.00 0.00 O ATOM 443 CB VAL A 31 -5.654 -6.932 2.169 1.00 0.00 C ATOM 444 CG1 VAL A 31 -5.022 -6.896 3.537 1.00 0.00 C ATOM 445 CG2 VAL A 31 -4.566 -7.039 1.089 1.00 0.00 C ATOM 0 H VAL A 31 -7.711 -7.899 3.955 1.00 0.00 H new ATOM 0 HA VAL A 31 -7.136 -7.947 1.051 1.00 0.00 H new ATOM 0 HB VAL A 31 -6.176 -5.992 1.990 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -4.251 -6.126 3.561 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.783 -6.671 4.284 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -4.574 -7.865 3.757 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -3.831 -6.247 1.233 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -4.073 -8.008 1.164 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -5.020 -6.938 0.103 1.00 0.00 H new ATOM 455 N SER A 32 -5.964 -10.080 1.085 1.00 0.00 N ATOM 456 CA SER A 32 -5.547 -11.489 1.045 1.00 0.00 C ATOM 457 C SER A 32 -4.140 -11.699 0.447 1.00 0.00 C ATOM 458 O SER A 32 -3.657 -12.829 0.435 1.00 0.00 O ATOM 459 CB SER A 32 -6.615 -12.316 0.311 1.00 0.00 C ATOM 460 OG SER A 32 -6.292 -13.690 0.368 1.00 0.00 O ATOM 0 H SER A 32 -6.025 -9.645 0.165 1.00 0.00 H new ATOM 0 HA SER A 32 -5.465 -11.839 2.074 1.00 0.00 H new ATOM 0 HB2 SER A 32 -7.592 -12.145 0.763 1.00 0.00 H new ATOM 0 HB3 SER A 32 -6.684 -11.994 -0.728 1.00 0.00 H new ATOM 0 HG SER A 32 -5.335 -13.794 0.549 1.00 0.00 H new ATOM 466 N SER A 33 -3.468 -10.645 -0.029 1.00 0.00 N ATOM 467 CA SER A 33 -2.099 -10.629 -0.566 1.00 0.00 C ATOM 468 C SER A 33 -1.652 -9.211 -0.955 1.00 0.00 C ATOM 469 O SER A 33 -2.420 -8.250 -0.940 1.00 0.00 O ATOM 470 CB SER A 33 -1.950 -11.591 -1.755 1.00 0.00 C ATOM 471 OG SER A 33 -1.605 -12.875 -1.292 1.00 0.00 O ATOM 0 H SER A 33 -3.893 -9.718 -0.052 1.00 0.00 H new ATOM 0 HA SER A 33 -1.443 -10.974 0.233 1.00 0.00 H new ATOM 0 HB2 SER A 33 -2.883 -11.636 -2.317 1.00 0.00 H new ATOM 0 HB3 SER A 33 -1.184 -11.223 -2.438 1.00 0.00 H new ATOM 0 HG SER A 33 -2.232 -13.150 -0.591 1.00 0.00 H new ATOM 477 N ILE A 34 -0.389 -9.089 -1.332 1.00 0.00 N ATOM 478 CA ILE A 34 0.367 -7.866 -1.621 1.00 0.00 C ATOM 479 C ILE A 34 1.734 -8.264 -2.185 1.00 0.00 C ATOM 480 O ILE A 34 2.186 -9.376 -1.927 1.00 0.00 O ATOM 481 CB ILE A 34 0.509 -6.970 -0.351 1.00 0.00 C ATOM 482 CG1 ILE A 34 1.389 -5.724 -0.623 1.00 0.00 C ATOM 483 CG2 ILE A 34 1.071 -7.743 0.864 1.00 0.00 C ATOM 484 CD1 ILE A 34 1.273 -4.632 0.433 1.00 0.00 C ATOM 0 H ILE A 34 0.193 -9.917 -1.457 1.00 0.00 H new ATOM 0 HA ILE A 34 -0.170 -7.270 -2.358 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.502 -6.645 -0.106 1.00 0.00 H new ATOM 0 HG12 ILE A 34 2.431 -6.037 -0.692 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.117 -5.306 -1.592 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.149 -7.071 1.719 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.403 -8.568 1.111 1.00 0.00 H new ATOM 0 HG23 ILE A 34 2.058 -8.136 0.620 1.00 0.00 H new ATOM 0 HD11 ILE A 34 1.921 -3.797 0.166 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.240 -4.287 0.488 1.00 0.00 H new ATOM 0 HD13 ILE A 34 1.575 -5.030 1.402 1.00 0.00 H new ATOM 496 N VAL A 35 2.336 -7.376 -2.973 1.00 0.00 N ATOM 497 CA VAL A 35 3.746 -7.386 -3.368 1.00 0.00 C ATOM 498 C VAL A 35 4.195 -5.950 -3.486 1.00 0.00 C ATOM 499 O VAL A 35 3.642 -5.169 -4.262 1.00 0.00 O ATOM 500 CB VAL A 35 4.030 -8.093 -4.708 1.00 0.00 C ATOM 501 CG1 VAL A 35 5.418 -7.778 -5.309 1.00 0.00 C ATOM 502 CG2 VAL A 35 3.972 -9.607 -4.494 1.00 0.00 C ATOM 0 H VAL A 35 1.828 -6.588 -3.375 1.00 0.00 H new ATOM 0 HA VAL A 35 4.287 -7.948 -2.606 1.00 0.00 H new ATOM 0 HB VAL A 35 3.273 -7.727 -5.402 1.00 0.00 H new ATOM 0 HG11 VAL A 35 5.537 -8.315 -6.250 1.00 0.00 H new ATOM 0 HG12 VAL A 35 5.502 -6.706 -5.489 1.00 0.00 H new ATOM 0 HG13 VAL A 35 6.196 -8.090 -4.612 1.00 0.00 H new ATOM 0 HG21 VAL A 35 4.172 -10.116 -5.437 1.00 0.00 H new ATOM 0 HG22 VAL A 35 4.721 -9.899 -3.758 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.982 -9.886 -4.134 1.00 0.00 H new ATOM 512 N VAL A 36 5.231 -5.637 -2.732 1.00 0.00 N ATOM 513 CA VAL A 36 5.928 -4.344 -2.798 1.00 0.00 C ATOM 514 C VAL A 36 7.145 -4.359 -3.742 1.00 0.00 C ATOM 515 O VAL A 36 7.824 -5.367 -3.931 1.00 0.00 O ATOM 516 CB VAL A 36 6.295 -3.878 -1.376 1.00 0.00 C ATOM 517 CG1 VAL A 36 7.472 -4.685 -0.844 1.00 0.00 C ATOM 518 CG2 VAL A 36 6.599 -2.379 -1.212 1.00 0.00 C ATOM 0 H VAL A 36 5.627 -6.276 -2.042 1.00 0.00 H new ATOM 0 HA VAL A 36 5.243 -3.619 -3.237 1.00 0.00 H new ATOM 0 HB VAL A 36 5.388 -4.054 -0.798 1.00 0.00 H new ATOM 0 HG11 VAL A 36 7.721 -4.346 0.161 1.00 0.00 H new ATOM 0 HG12 VAL A 36 7.205 -5.741 -0.815 1.00 0.00 H new ATOM 0 HG13 VAL A 36 8.333 -4.546 -1.497 1.00 0.00 H new ATOM 0 HG21 VAL A 36 6.844 -2.169 -0.171 1.00 0.00 H new ATOM 0 HG22 VAL A 36 7.444 -2.108 -1.845 1.00 0.00 H new ATOM 0 HG23 VAL A 36 5.725 -1.796 -1.504 1.00 0.00 H new ATOM 528 N SER A 37 7.421 -3.199 -4.330 1.00 0.00 N ATOM 529 CA SER A 37 8.660 -2.879 -5.031 1.00 0.00 C ATOM 530 C SER A 37 9.772 -2.676 -4.000 1.00 0.00 C ATOM 531 O SER A 37 9.662 -1.805 -3.133 1.00 0.00 O ATOM 532 CB SER A 37 8.530 -1.537 -5.766 1.00 0.00 C ATOM 533 OG SER A 37 7.921 -1.631 -7.037 1.00 0.00 O ATOM 0 H SER A 37 6.759 -2.423 -4.331 1.00 0.00 H new ATOM 0 HA SER A 37 8.873 -3.690 -5.727 1.00 0.00 H new ATOM 0 HB2 SER A 37 7.951 -0.851 -5.148 1.00 0.00 H new ATOM 0 HB3 SER A 37 9.522 -1.101 -5.882 1.00 0.00 H new ATOM 0 HG SER A 37 8.607 -1.563 -7.734 1.00 0.00 H new ATOM 539 N LEU A 38 10.878 -3.417 -4.115 1.00 0.00 N ATOM 540 CA LEU A 38 12.073 -3.094 -3.333 1.00 0.00 C ATOM 541 C LEU A 38 12.805 -1.933 -4.004 1.00 0.00 C ATOM 542 O LEU A 38 13.331 -1.067 -3.318 1.00 0.00 O ATOM 543 CB LEU A 38 12.999 -4.321 -3.187 1.00 0.00 C ATOM 544 CG LEU A 38 13.561 -4.496 -1.762 1.00 0.00 C ATOM 545 CD1 LEU A 38 14.273 -5.848 -1.633 1.00 0.00 C ATOM 546 CD2 LEU A 38 14.528 -3.378 -1.357 1.00 0.00 C ATOM 0 H LEU A 38 10.971 -4.227 -4.728 1.00 0.00 H new ATOM 0 HA LEU A 38 11.772 -2.802 -2.327 1.00 0.00 H new ATOM 0 HB2 LEU A 38 12.447 -5.219 -3.465 1.00 0.00 H new ATOM 0 HB3 LEU A 38 13.828 -4.227 -3.888 1.00 0.00 H new ATOM 0 HG LEU A 38 12.706 -4.451 -1.088 1.00 0.00 H new ATOM 0 HD11 LEU A 38 14.665 -5.958 -0.622 1.00 0.00 H new ATOM 0 HD12 LEU A 38 13.566 -6.652 -1.838 1.00 0.00 H new ATOM 0 HD13 LEU A 38 15.095 -5.896 -2.348 1.00 0.00 H new ATOM 0 HD21 LEU A 38 14.889 -3.558 -0.344 1.00 0.00 H new ATOM 0 HD22 LEU A 38 15.373 -3.361 -2.045 1.00 0.00 H new ATOM 0 HD23 LEU A 38 14.011 -2.419 -1.393 1.00 0.00 H new ATOM 558 N GLU A 39 12.884 -1.929 -5.335 1.00 0.00 N ATOM 559 CA GLU A 39 13.619 -1.013 -6.178 1.00 0.00 C ATOM 560 C GLU A 39 13.013 0.397 -6.193 1.00 0.00 C ATOM 561 O GLU A 39 13.715 1.357 -5.867 1.00 0.00 O ATOM 562 CB GLU A 39 13.806 -1.710 -7.525 1.00 0.00 C ATOM 563 CG GLU A 39 12.666 -1.798 -8.537 1.00 0.00 C ATOM 564 CD GLU A 39 11.296 -2.169 -7.971 1.00 0.00 C ATOM 565 OE1 GLU A 39 11.209 -3.093 -7.136 1.00 0.00 O ATOM 566 OE2 GLU A 39 10.336 -1.422 -8.263 1.00 0.00 O ATOM 0 H GLU A 39 12.390 -2.630 -5.888 1.00 0.00 H new ATOM 0 HA GLU A 39 14.613 -0.795 -5.786 1.00 0.00 H new ATOM 0 HB2 GLU A 39 14.638 -1.216 -8.026 1.00 0.00 H new ATOM 0 HB3 GLU A 39 14.123 -2.731 -7.313 1.00 0.00 H new ATOM 0 HG2 GLU A 39 12.580 -0.836 -9.042 1.00 0.00 H new ATOM 0 HG3 GLU A 39 12.935 -2.533 -9.295 1.00 0.00 H new ATOM 573 N ASN A 40 11.709 0.502 -6.459 1.00 0.00 N ATOM 574 CA ASN A 40 10.885 1.705 -6.325 1.00 0.00 C ATOM 575 C ASN A 40 10.275 1.844 -4.920 1.00 0.00 C ATOM 576 O ASN A 40 10.591 1.094 -4.000 1.00 0.00 O ATOM 577 CB ASN A 40 9.822 1.748 -7.435 1.00 0.00 C ATOM 578 CG ASN A 40 10.543 2.146 -8.698 1.00 0.00 C ATOM 579 OD1 ASN A 40 10.779 3.320 -8.952 1.00 0.00 O ATOM 580 ND2 ASN A 40 11.049 1.174 -9.416 1.00 0.00 N ATOM 0 H ASN A 40 11.169 -0.296 -6.793 1.00 0.00 H new ATOM 0 HA ASN A 40 11.533 2.573 -6.448 1.00 0.00 H new ATOM 0 HB2 ASN A 40 9.342 0.776 -7.551 1.00 0.00 H new ATOM 0 HB3 ASN A 40 9.037 2.464 -7.194 1.00 0.00 H new ATOM 0 HD21 ASN A 40 11.655 1.387 -10.208 1.00 0.00 H new ATOM 0 HD22 ASN A 40 10.837 0.204 -9.183 1.00 0.00 H new ATOM 587 N ARG A 41 9.420 2.860 -4.743 1.00 0.00 N ATOM 588 CA ARG A 41 8.692 3.148 -3.505 1.00 0.00 C ATOM 589 C ARG A 41 7.204 2.751 -3.621 1.00 0.00 C ATOM 590 O ARG A 41 6.325 3.537 -3.284 1.00 0.00 O ATOM 591 CB ARG A 41 8.820 4.640 -3.129 1.00 0.00 C ATOM 592 CG ARG A 41 10.189 5.329 -3.221 1.00 0.00 C ATOM 593 CD ARG A 41 10.463 5.836 -4.643 1.00 0.00 C ATOM 594 NE ARG A 41 11.470 6.908 -4.659 1.00 0.00 N ATOM 595 CZ ARG A 41 11.916 7.546 -5.737 1.00 0.00 C ATOM 596 NH1 ARG A 41 11.627 7.149 -6.961 1.00 0.00 N ATOM 597 NH2 ARG A 41 12.675 8.615 -5.597 1.00 0.00 N ATOM 0 H ARG A 41 9.210 3.527 -5.486 1.00 0.00 H new ATOM 0 HA ARG A 41 9.141 2.548 -2.713 1.00 0.00 H new ATOM 0 HB2 ARG A 41 8.131 5.197 -3.764 1.00 0.00 H new ATOM 0 HB3 ARG A 41 8.468 4.750 -2.103 1.00 0.00 H new ATOM 0 HG2 ARG A 41 10.226 6.164 -2.521 1.00 0.00 H new ATOM 0 HG3 ARG A 41 10.971 4.630 -2.925 1.00 0.00 H new ATOM 0 HD2 ARG A 41 10.805 5.008 -5.264 1.00 0.00 H new ATOM 0 HD3 ARG A 41 9.535 6.203 -5.083 1.00 0.00 H new ATOM 0 HE ARG A 41 11.862 7.188 -3.760 1.00 0.00 H new ATOM 0 HH11 ARG A 41 11.042 6.326 -7.105 1.00 0.00 H new ATOM 0 HH12 ARG A 41 11.988 7.665 -7.763 1.00 0.00 H new ATOM 0 HH21 ARG A 41 12.918 8.949 -4.665 1.00 0.00 H new ATOM 0 HH22 ARG A 41 13.019 9.107 -6.421 1.00 0.00 H new ATOM 611 N SER A 42 6.864 1.595 -4.182 1.00 0.00 N ATOM 612 CA SER A 42 5.474 1.244 -4.554 1.00 0.00 C ATOM 613 C SER A 42 5.020 -0.137 -4.097 1.00 0.00 C ATOM 614 O SER A 42 5.843 -1.003 -3.863 1.00 0.00 O ATOM 615 CB SER A 42 5.302 1.318 -6.081 1.00 0.00 C ATOM 616 OG SER A 42 6.460 0.898 -6.788 1.00 0.00 O ATOM 0 H SER A 42 7.540 0.863 -4.398 1.00 0.00 H new ATOM 0 HA SER A 42 4.853 1.974 -4.035 1.00 0.00 H new ATOM 0 HB2 SER A 42 4.456 0.697 -6.377 1.00 0.00 H new ATOM 0 HB3 SER A 42 5.060 2.342 -6.365 1.00 0.00 H new ATOM 0 HG SER A 42 6.566 -0.072 -6.695 1.00 0.00 H new ATOM 622 N ALA A 43 3.704 -0.356 -4.033 1.00 0.00 N ATOM 623 CA ALA A 43 3.081 -1.611 -3.623 1.00 0.00 C ATOM 624 C ALA A 43 1.856 -1.914 -4.489 1.00 0.00 C ATOM 625 O ALA A 43 1.033 -1.040 -4.761 1.00 0.00 O ATOM 626 CB ALA A 43 2.715 -1.511 -2.132 1.00 0.00 C ATOM 0 H ALA A 43 3.022 0.363 -4.274 1.00 0.00 H new ATOM 0 HA ALA A 43 3.777 -2.438 -3.762 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.248 -2.441 -1.809 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.618 -1.336 -1.547 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.020 -0.685 -1.983 1.00 0.00 H new ATOM 632 N ILE A 44 1.735 -3.177 -4.893 1.00 0.00 N ATOM 633 CA ILE A 44 0.596 -3.785 -5.582 1.00 0.00 C ATOM 634 C ILE A 44 -0.112 -4.639 -4.524 1.00 0.00 C ATOM 635 O ILE A 44 0.490 -5.562 -3.981 1.00 0.00 O ATOM 636 CB ILE A 44 1.095 -4.630 -6.778 1.00 0.00 C ATOM 637 CG1 ILE A 44 1.956 -3.774 -7.742 1.00 0.00 C ATOM 638 CG2 ILE A 44 -0.116 -5.245 -7.507 1.00 0.00 C ATOM 639 CD1 ILE A 44 2.566 -4.563 -8.905 1.00 0.00 C ATOM 0 H ILE A 44 2.484 -3.852 -4.737 1.00 0.00 H new ATOM 0 HA ILE A 44 -0.090 -3.047 -5.998 1.00 0.00 H new ATOM 0 HB ILE A 44 1.731 -5.434 -6.408 1.00 0.00 H new ATOM 0 HG12 ILE A 44 1.340 -2.971 -8.146 1.00 0.00 H new ATOM 0 HG13 ILE A 44 2.760 -3.305 -7.174 1.00 0.00 H new ATOM 0 HG21 ILE A 44 0.232 -5.841 -8.351 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -0.671 -5.881 -6.817 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -0.766 -4.448 -7.869 1.00 0.00 H new ATOM 0 HD11 ILE A 44 3.153 -3.892 -9.532 1.00 0.00 H new ATOM 0 HD12 ILE A 44 3.211 -5.349 -8.513 1.00 0.00 H new ATOM 0 HD13 ILE A 44 1.769 -5.010 -9.499 1.00 0.00 H new ATOM 651 N VAL A 45 -1.348 -4.295 -4.183 1.00 0.00 N ATOM 652 CA VAL A 45 -2.113 -4.832 -3.047 1.00 0.00 C ATOM 653 C VAL A 45 -3.264 -5.671 -3.591 1.00 0.00 C ATOM 654 O VAL A 45 -4.009 -5.181 -4.435 1.00 0.00 O ATOM 655 CB VAL A 45 -2.698 -3.694 -2.185 1.00 0.00 C ATOM 656 CG1 VAL A 45 -3.417 -4.278 -0.957 1.00 0.00 C ATOM 657 CG2 VAL A 45 -1.614 -2.706 -1.722 1.00 0.00 C ATOM 0 H VAL A 45 -1.876 -3.601 -4.712 1.00 0.00 H new ATOM 0 HA VAL A 45 -1.446 -5.432 -2.428 1.00 0.00 H new ATOM 0 HB VAL A 45 -3.407 -3.148 -2.807 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -3.826 -3.467 -0.355 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -4.226 -4.930 -1.285 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -2.709 -4.851 -0.359 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -2.071 -1.922 -1.118 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -0.870 -3.235 -1.127 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -1.132 -2.260 -2.592 1.00 0.00 H new ATOM 667 N VAL A 46 -3.415 -6.898 -3.098 1.00 0.00 N ATOM 668 CA VAL A 46 -4.396 -7.885 -3.574 1.00 0.00 C ATOM 669 C VAL A 46 -5.477 -8.043 -2.497 1.00 0.00 C ATOM 670 O VAL A 46 -5.354 -8.812 -1.538 1.00 0.00 O ATOM 671 CB VAL A 46 -3.708 -9.227 -3.906 1.00 0.00 C ATOM 672 CG1 VAL A 46 -4.652 -10.203 -4.609 1.00 0.00 C ATOM 673 CG2 VAL A 46 -2.424 -9.063 -4.745 1.00 0.00 C ATOM 0 H VAL A 46 -2.842 -7.249 -2.331 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.861 -7.542 -4.498 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.425 -9.641 -2.938 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.123 -11.132 -4.822 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -5.506 -10.411 -3.964 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -5.001 -9.762 -5.543 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -1.991 -10.044 -4.943 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.666 -8.576 -5.690 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -1.706 -8.453 -4.196 1.00 0.00 H new ATOM 683 N TYR A 47 -6.511 -7.214 -2.619 1.00 0.00 N ATOM 684 CA TYR A 47 -7.573 -7.014 -1.636 1.00 0.00 C ATOM 685 C TYR A 47 -8.848 -7.769 -2.026 1.00 0.00 C ATOM 686 O TYR A 47 -9.282 -7.745 -3.180 1.00 0.00 O ATOM 687 CB TYR A 47 -7.753 -5.525 -1.288 1.00 0.00 C ATOM 688 CG TYR A 47 -8.358 -4.578 -2.319 1.00 0.00 C ATOM 689 CD1 TYR A 47 -7.971 -4.595 -3.674 1.00 0.00 C ATOM 690 CD2 TYR A 47 -9.294 -3.612 -1.890 1.00 0.00 C ATOM 691 CE1 TYR A 47 -8.563 -3.715 -4.598 1.00 0.00 C ATOM 692 CE2 TYR A 47 -9.843 -2.688 -2.799 1.00 0.00 C ATOM 693 CZ TYR A 47 -9.487 -2.743 -4.162 1.00 0.00 C ATOM 694 OH TYR A 47 -10.030 -1.860 -5.046 1.00 0.00 O ATOM 0 H TYR A 47 -6.637 -6.634 -3.448 1.00 0.00 H new ATOM 0 HA TYR A 47 -7.274 -7.468 -0.691 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -8.373 -5.472 -0.393 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -6.772 -5.132 -1.020 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -7.213 -5.290 -4.006 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -9.592 -3.582 -0.852 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -8.309 -3.784 -5.645 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -10.537 -1.937 -2.452 1.00 0.00 H new ATOM 0 HH TYR A 47 -10.647 -1.262 -4.574 1.00 0.00 H new ATOM 704 N ASN A 48 -9.441 -8.497 -1.072 1.00 0.00 N ATOM 705 CA ASN A 48 -10.484 -9.463 -1.370 1.00 0.00 C ATOM 706 C ASN A 48 -11.862 -8.798 -1.317 1.00 0.00 C ATOM 707 O ASN A 48 -12.589 -8.866 -0.331 1.00 0.00 O ATOM 708 CB ASN A 48 -10.296 -10.776 -0.610 1.00 0.00 C ATOM 709 CG ASN A 48 -10.320 -10.653 0.893 1.00 0.00 C ATOM 710 OD1 ASN A 48 -9.233 -10.170 1.435 1.00 0.00 O flip ATOM 711 ND2 ASN A 48 -11.263 -10.996 1.584 1.00 0.00 N flip ATOM 0 H ASN A 48 -9.208 -8.428 -0.081 1.00 0.00 H new ATOM 0 HA ASN A 48 -10.401 -9.800 -2.403 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -11.079 -11.470 -0.915 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -9.345 -11.218 -0.908 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -12.105 -11.371 1.148 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -11.210 -10.908 2.599 1.00 0.00 H new ATOM 718 N ALA A 49 -12.184 -8.106 -2.412 1.00 0.00 N ATOM 719 CA ALA A 49 -13.306 -7.184 -2.512 1.00 0.00 C ATOM 720 C ALA A 49 -13.630 -6.836 -3.966 1.00 0.00 C ATOM 721 O ALA A 49 -12.994 -7.297 -4.902 1.00 0.00 O ATOM 722 CB ALA A 49 -12.898 -5.924 -1.739 1.00 0.00 C ATOM 0 H ALA A 49 -11.651 -8.178 -3.279 1.00 0.00 H new ATOM 0 HA ALA A 49 -14.207 -7.638 -2.100 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -13.706 -5.194 -1.781 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -12.697 -6.184 -0.700 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -12.000 -5.497 -2.186 1.00 0.00 H new ATOM 728 N SER A 50 -14.615 -5.971 -4.146 1.00 0.00 N ATOM 729 CA SER A 50 -15.142 -5.538 -5.426 1.00 0.00 C ATOM 730 C SER A 50 -15.938 -4.257 -5.181 1.00 0.00 C ATOM 731 O SER A 50 -15.559 -3.171 -5.608 1.00 0.00 O ATOM 732 CB SER A 50 -16.043 -6.647 -5.978 1.00 0.00 C ATOM 733 OG SER A 50 -16.940 -7.160 -4.999 1.00 0.00 O ATOM 0 H SER A 50 -15.092 -5.530 -3.360 1.00 0.00 H new ATOM 0 HA SER A 50 -14.351 -5.343 -6.150 1.00 0.00 H new ATOM 0 HB2 SER A 50 -16.614 -6.260 -6.822 1.00 0.00 H new ATOM 0 HB3 SER A 50 -15.423 -7.459 -6.358 1.00 0.00 H new ATOM 0 HG SER A 50 -17.494 -7.863 -5.399 1.00 0.00 H new ATOM 739 N SER A 51 -16.984 -4.366 -4.364 1.00 0.00 N ATOM 740 CA SER A 51 -17.889 -3.282 -3.963 1.00 0.00 C ATOM 741 C SER A 51 -17.247 -2.309 -2.952 1.00 0.00 C ATOM 742 O SER A 51 -17.852 -1.969 -1.938 1.00 0.00 O ATOM 743 CB SER A 51 -19.193 -3.887 -3.408 1.00 0.00 C ATOM 744 OG SER A 51 -19.742 -4.837 -4.311 1.00 0.00 O ATOM 0 H SER A 51 -17.239 -5.258 -3.940 1.00 0.00 H new ATOM 0 HA SER A 51 -18.111 -2.685 -4.848 1.00 0.00 H new ATOM 0 HB2 SER A 51 -18.996 -4.365 -2.448 1.00 0.00 H new ATOM 0 HB3 SER A 51 -19.917 -3.093 -3.226 1.00 0.00 H new ATOM 0 HG SER A 51 -20.568 -5.207 -3.934 1.00 0.00 H new ATOM 750 N VAL A 52 -16.004 -1.885 -3.195 1.00 0.00 N ATOM 751 CA VAL A 52 -15.215 -1.026 -2.297 1.00 0.00 C ATOM 752 C VAL A 52 -14.143 -0.268 -3.088 1.00 0.00 C ATOM 753 O VAL A 52 -13.846 -0.612 -4.232 1.00 0.00 O ATOM 754 CB VAL A 52 -14.633 -1.835 -1.105 1.00 0.00 C ATOM 755 CG1 VAL A 52 -13.262 -2.457 -1.405 1.00 0.00 C ATOM 756 CG2 VAL A 52 -14.528 -0.964 0.159 1.00 0.00 C ATOM 0 H VAL A 52 -15.501 -2.135 -4.046 1.00 0.00 H new ATOM 0 HA VAL A 52 -15.875 -0.278 -1.857 1.00 0.00 H new ATOM 0 HB VAL A 52 -15.336 -2.651 -0.936 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -12.913 -3.008 -0.531 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -13.349 -3.138 -2.252 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -12.549 -1.668 -1.645 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -14.118 -1.557 0.976 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -13.873 -0.115 -0.038 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -15.519 -0.602 0.435 1.00 0.00 H new ATOM 766 N THR A 53 -13.576 0.782 -2.487 1.00 0.00 N ATOM 767 CA THR A 53 -12.611 1.684 -3.120 1.00 0.00 C ATOM 768 C THR A 53 -11.164 1.367 -2.712 1.00 0.00 C ATOM 769 O THR A 53 -10.938 0.977 -1.564 1.00 0.00 O ATOM 770 CB THR A 53 -13.000 3.137 -2.827 1.00 0.00 C ATOM 771 OG1 THR A 53 -12.101 4.005 -3.467 1.00 0.00 O ATOM 772 CG2 THR A 53 -13.015 3.483 -1.339 1.00 0.00 C ATOM 0 H THR A 53 -13.782 1.034 -1.520 1.00 0.00 H new ATOM 0 HA THR A 53 -12.646 1.531 -4.199 1.00 0.00 H new ATOM 0 HB THR A 53 -14.016 3.256 -3.203 1.00 0.00 H new ATOM 0 HG1 THR A 53 -12.440 4.923 -3.415 1.00 0.00 H new ATOM 0 HG21 THR A 53 -13.299 4.528 -1.211 1.00 0.00 H new ATOM 0 HG22 THR A 53 -13.734 2.846 -0.824 1.00 0.00 H new ATOM 0 HG23 THR A 53 -12.022 3.323 -0.918 1.00 0.00 H new ATOM 780 N PRO A 54 -10.174 1.592 -3.602 1.00 0.00 N ATOM 781 CA PRO A 54 -8.756 1.579 -3.250 1.00 0.00 C ATOM 782 C PRO A 54 -8.366 2.743 -2.320 1.00 0.00 C ATOM 783 O PRO A 54 -7.262 2.725 -1.782 1.00 0.00 O ATOM 784 CB PRO A 54 -8.009 1.650 -4.588 1.00 0.00 C ATOM 785 CG PRO A 54 -8.984 2.383 -5.504 1.00 0.00 C ATOM 786 CD PRO A 54 -10.329 1.845 -5.030 1.00 0.00 C ATOM 0 HA PRO A 54 -8.501 0.682 -2.686 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -7.066 2.189 -4.493 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -7.772 0.656 -4.968 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -8.915 3.465 -5.391 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -8.803 2.160 -6.555 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -11.126 2.565 -5.215 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -10.595 0.932 -5.562 1.00 0.00 H new ATOM 794 N GLU A 55 -9.246 3.732 -2.089 1.00 0.00 N ATOM 795 CA GLU A 55 -8.988 4.847 -1.157 1.00 0.00 C ATOM 796 C GLU A 55 -8.604 4.350 0.250 1.00 0.00 C ATOM 797 O GLU A 55 -7.701 4.910 0.866 1.00 0.00 O ATOM 798 CB GLU A 55 -10.223 5.776 -1.098 1.00 0.00 C ATOM 799 CG GLU A 55 -9.950 7.262 -1.392 1.00 0.00 C ATOM 800 CD GLU A 55 -9.499 8.079 -0.183 1.00 0.00 C ATOM 801 OE1 GLU A 55 -10.006 7.859 0.936 1.00 0.00 O ATOM 802 OE2 GLU A 55 -8.656 8.992 -0.357 1.00 0.00 O ATOM 0 H GLU A 55 -10.158 3.782 -2.543 1.00 0.00 H new ATOM 0 HA GLU A 55 -8.134 5.410 -1.534 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -10.963 5.413 -1.811 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -10.669 5.696 -0.107 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -9.185 7.331 -2.166 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -10.856 7.710 -1.799 1.00 0.00 H new ATOM 809 N SER A 56 -9.200 3.255 0.740 1.00 0.00 N ATOM 810 CA SER A 56 -8.925 2.704 2.068 1.00 0.00 C ATOM 811 C SER A 56 -7.506 2.130 2.195 1.00 0.00 C ATOM 812 O SER A 56 -6.890 2.189 3.260 1.00 0.00 O ATOM 813 CB SER A 56 -9.920 1.567 2.339 1.00 0.00 C ATOM 814 OG SER A 56 -11.229 1.839 1.848 1.00 0.00 O ATOM 0 H SER A 56 -9.895 2.722 0.217 1.00 0.00 H new ATOM 0 HA SER A 56 -9.022 3.520 2.784 1.00 0.00 H new ATOM 0 HB2 SER A 56 -9.549 0.651 1.879 1.00 0.00 H new ATOM 0 HB3 SER A 56 -9.972 1.386 3.413 1.00 0.00 H new ATOM 0 HG SER A 56 -11.817 1.081 2.047 1.00 0.00 H new ATOM 820 N LEU A 57 -6.978 1.567 1.102 1.00 0.00 N ATOM 821 CA LEU A 57 -5.630 1.010 1.052 1.00 0.00 C ATOM 822 C LEU A 57 -4.578 2.110 0.964 1.00 0.00 C ATOM 823 O LEU A 57 -3.605 2.057 1.712 1.00 0.00 O ATOM 824 CB LEU A 57 -5.495 0.079 -0.153 1.00 0.00 C ATOM 825 CG LEU A 57 -6.378 -1.177 -0.184 1.00 0.00 C ATOM 826 CD1 LEU A 57 -5.966 -1.971 -1.428 1.00 0.00 C ATOM 827 CD2 LEU A 57 -6.236 -2.048 1.073 1.00 0.00 C ATOM 0 H LEU A 57 -7.484 1.487 0.220 1.00 0.00 H new ATOM 0 HA LEU A 57 -5.465 0.450 1.972 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -5.705 0.660 -1.051 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.455 -0.240 -0.216 1.00 0.00 H new ATOM 0 HG LEU A 57 -7.426 -0.878 -0.214 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -6.567 -2.878 -1.496 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -6.126 -1.362 -2.318 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -4.912 -2.239 -1.356 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -6.886 -2.919 0.988 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -5.201 -2.376 1.173 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -6.520 -1.468 1.951 1.00 0.00 H new ATOM 839 N ARG A 58 -4.791 3.134 0.122 1.00 0.00 N ATOM 840 CA ARG A 58 -3.955 4.326 0.082 1.00 0.00 C ATOM 841 C ARG A 58 -3.835 4.904 1.508 1.00 0.00 C ATOM 842 O ARG A 58 -2.725 5.047 2.027 1.00 0.00 O ATOM 843 CB ARG A 58 -4.561 5.300 -0.948 1.00 0.00 C ATOM 844 CG ARG A 58 -3.519 6.291 -1.472 1.00 0.00 C ATOM 845 CD ARG A 58 -4.118 7.572 -2.064 1.00 0.00 C ATOM 846 NE ARG A 58 -4.379 8.523 -0.985 1.00 0.00 N ATOM 847 CZ ARG A 58 -5.424 9.296 -0.775 1.00 0.00 C ATOM 848 NH1 ARG A 58 -6.366 9.466 -1.677 1.00 0.00 N ATOM 849 NH2 ARG A 58 -5.540 9.891 0.391 1.00 0.00 N ATOM 0 H ARG A 58 -5.556 3.150 -0.552 1.00 0.00 H new ATOM 0 HA ARG A 58 -2.937 4.111 -0.242 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -4.977 4.735 -1.782 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -5.385 5.847 -0.490 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -2.846 6.560 -0.657 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -2.916 5.798 -2.234 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -3.431 8.007 -2.790 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -5.042 7.344 -2.596 1.00 0.00 H new ATOM 0 HE ARG A 58 -3.638 8.599 -0.288 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -6.302 8.990 -2.577 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -7.160 10.073 -1.476 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -4.830 9.749 1.109 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -6.341 10.495 0.578 1.00 0.00 H new ATOM 863 N LYS A 59 -4.971 5.029 2.216 1.00 0.00 N ATOM 864 CA LYS A 59 -5.033 5.357 3.638 1.00 0.00 C ATOM 865 C LYS A 59 -4.222 4.423 4.546 1.00 0.00 C ATOM 866 O LYS A 59 -3.514 4.923 5.416 1.00 0.00 O ATOM 867 CB LYS A 59 -6.504 5.395 4.086 1.00 0.00 C ATOM 868 CG LYS A 59 -6.981 6.831 4.295 1.00 0.00 C ATOM 869 CD LYS A 59 -6.995 7.643 2.999 1.00 0.00 C ATOM 870 CE LYS A 59 -7.464 9.069 3.297 1.00 0.00 C ATOM 871 NZ LYS A 59 -8.443 9.524 2.291 1.00 0.00 N ATOM 0 H LYS A 59 -5.892 4.900 1.797 1.00 0.00 H new ATOM 0 HA LYS A 59 -4.566 6.336 3.748 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -7.128 4.907 3.337 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -6.619 4.832 5.012 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -7.984 6.818 4.721 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -6.333 7.323 5.020 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -5.999 7.661 2.558 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -7.658 7.175 2.271 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -7.912 9.108 4.290 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -6.607 9.743 3.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -8.797 10.467 2.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -7.986 9.572 1.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -9.238 8.855 2.253 1.00 0.00 H new ATOM 885 N ALA A 60 -4.286 3.096 4.372 1.00 0.00 N ATOM 886 CA ALA A 60 -3.511 2.160 5.196 1.00 0.00 C ATOM 887 C ALA A 60 -1.998 2.375 5.028 1.00 0.00 C ATOM 888 O ALA A 60 -1.243 2.247 5.989 1.00 0.00 O ATOM 889 CB ALA A 60 -3.925 0.725 4.852 1.00 0.00 C ATOM 0 H ALA A 60 -4.868 2.646 3.666 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.730 2.347 6.247 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.353 0.025 5.461 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.988 0.595 5.053 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.729 0.533 3.797 1.00 0.00 H new ATOM 895 N ILE A 61 -1.562 2.772 3.825 1.00 0.00 N ATOM 896 CA ILE A 61 -0.176 3.165 3.562 1.00 0.00 C ATOM 897 C ILE A 61 0.137 4.503 4.229 1.00 0.00 C ATOM 898 O ILE A 61 1.054 4.558 5.048 1.00 0.00 O ATOM 899 CB ILE A 61 0.136 3.166 2.044 1.00 0.00 C ATOM 900 CG1 ILE A 61 -0.215 1.843 1.338 1.00 0.00 C ATOM 901 CG2 ILE A 61 1.624 3.454 1.826 1.00 0.00 C ATOM 902 CD1 ILE A 61 -0.005 1.826 -0.175 1.00 0.00 C ATOM 0 H ILE A 61 -2.166 2.829 3.005 1.00 0.00 H new ATOM 0 HA ILE A 61 0.485 2.421 4.006 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.491 3.942 1.606 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.385 1.047 1.779 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.259 1.608 1.545 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.842 3.454 0.758 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.872 4.428 2.247 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.219 2.685 2.317 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.282 0.849 -0.570 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.626 2.594 -0.637 1.00 0.00 H new ATOM 0 HD13 ILE A 61 1.043 2.024 -0.399 1.00 0.00 H new ATOM 914 N GLU A 62 -0.654 5.552 3.969 1.00 0.00 N ATOM 915 CA GLU A 62 -0.513 6.856 4.619 1.00 0.00 C ATOM 916 C GLU A 62 -0.419 6.714 6.143 1.00 0.00 C ATOM 917 O GLU A 62 0.344 7.439 6.762 1.00 0.00 O ATOM 918 CB GLU A 62 -1.698 7.784 4.284 1.00 0.00 C ATOM 919 CG GLU A 62 -1.804 8.221 2.817 1.00 0.00 C ATOM 920 CD GLU A 62 -3.227 8.564 2.359 1.00 0.00 C ATOM 921 OE1 GLU A 62 -3.834 9.586 2.746 1.00 0.00 O ATOM 922 OE2 GLU A 62 -3.746 7.823 1.505 1.00 0.00 O ATOM 0 H GLU A 62 -1.417 5.516 3.294 1.00 0.00 H new ATOM 0 HA GLU A 62 0.409 7.294 4.237 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -2.623 7.277 4.561 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -1.625 8.676 4.906 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -1.166 9.091 2.663 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -1.414 7.424 2.184 1.00 0.00 H new ATOM 929 N ALA A 63 -1.102 5.737 6.749 1.00 0.00 N ATOM 930 CA ALA A 63 -1.157 5.534 8.199 1.00 0.00 C ATOM 931 C ALA A 63 0.073 4.834 8.805 1.00 0.00 C ATOM 932 O ALA A 63 0.125 4.651 10.020 1.00 0.00 O ATOM 933 CB ALA A 63 -2.457 4.785 8.521 1.00 0.00 C ATOM 0 H ALA A 63 -1.646 5.048 6.230 1.00 0.00 H new ATOM 0 HA ALA A 63 -1.144 6.517 8.671 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -2.525 4.620 9.596 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -3.310 5.378 8.190 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -2.461 3.825 8.005 1.00 0.00 H new ATOM 939 N VAL A 64 1.067 4.494 7.982 1.00 0.00 N ATOM 940 CA VAL A 64 2.334 3.872 8.396 1.00 0.00 C ATOM 941 C VAL A 64 3.440 4.910 8.565 1.00 0.00 C ATOM 942 O VAL A 64 4.360 4.719 9.354 1.00 0.00 O ATOM 943 CB VAL A 64 2.773 2.739 7.440 1.00 0.00 C ATOM 944 CG1 VAL A 64 3.686 3.102 6.286 1.00 0.00 C ATOM 945 CG2 VAL A 64 3.518 1.666 8.246 1.00 0.00 C ATOM 0 H VAL A 64 1.014 4.648 6.975 1.00 0.00 H new ATOM 0 HA VAL A 64 2.152 3.416 9.369 1.00 0.00 H new ATOM 0 HB VAL A 64 1.832 2.419 6.993 1.00 0.00 H new ATOM 0 HG11 VAL A 64 3.909 2.208 5.703 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.193 3.837 5.649 1.00 0.00 H new ATOM 0 HG13 VAL A 64 4.614 3.522 6.674 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.831 0.863 7.579 1.00 0.00 H new ATOM 0 HG22 VAL A 64 4.395 2.109 8.718 1.00 0.00 H new ATOM 0 HG23 VAL A 64 2.857 1.263 9.014 1.00 0.00 H new ATOM 955 N SER A 65 3.361 6.027 7.836 1.00 0.00 N ATOM 956 CA SER A 65 4.205 7.200 8.071 1.00 0.00 C ATOM 957 C SER A 65 3.468 8.512 7.705 1.00 0.00 C ATOM 958 O SER A 65 3.858 9.214 6.767 1.00 0.00 O ATOM 959 CB SER A 65 5.599 7.025 7.448 1.00 0.00 C ATOM 960 OG SER A 65 5.953 5.675 7.178 1.00 0.00 O ATOM 0 H SER A 65 2.706 6.143 7.063 1.00 0.00 H new ATOM 0 HA SER A 65 4.399 7.290 9.140 1.00 0.00 H new ATOM 0 HB2 SER A 65 5.643 7.593 6.519 1.00 0.00 H new ATOM 0 HB3 SER A 65 6.341 7.456 8.120 1.00 0.00 H new ATOM 0 HG SER A 65 5.875 5.502 6.216 1.00 0.00 H new ATOM 966 N PRO A 66 2.375 8.831 8.429 1.00 0.00 N ATOM 967 CA PRO A 66 1.482 9.948 8.124 1.00 0.00 C ATOM 968 C PRO A 66 2.174 11.305 8.219 1.00 0.00 C ATOM 969 O PRO A 66 3.049 11.516 9.055 1.00 0.00 O ATOM 970 CB PRO A 66 0.298 9.832 9.094 1.00 0.00 C ATOM 971 CG PRO A 66 0.821 8.940 10.220 1.00 0.00 C ATOM 972 CD PRO A 66 1.774 8.015 9.473 1.00 0.00 C ATOM 0 HA PRO A 66 1.146 9.891 7.089 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -0.007 10.809 9.469 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -0.573 9.391 8.609 1.00 0.00 H new ATOM 0 HG2 PRO A 66 1.332 9.515 10.992 1.00 0.00 H new ATOM 0 HG3 PRO A 66 0.018 8.389 10.711 1.00 0.00 H new ATOM 0 HD2 PRO A 66 2.534 7.613 10.142 1.00 0.00 H new ATOM 0 HD3 PRO A 66 1.241 7.164 9.048 1.00 0.00 H new ATOM 980 N GLY A 67 1.779 12.226 7.330 1.00 0.00 N ATOM 981 CA GLY A 67 2.379 13.561 7.189 1.00 0.00 C ATOM 982 C GLY A 67 3.679 13.577 6.377 1.00 0.00 C ATOM 983 O GLY A 67 4.073 14.632 5.891 1.00 0.00 O ATOM 0 H GLY A 67 1.016 12.061 6.674 1.00 0.00 H new ATOM 0 HA2 GLY A 67 1.657 14.224 6.713 1.00 0.00 H new ATOM 0 HA3 GLY A 67 2.577 13.966 8.181 1.00 0.00 H new ATOM 987 N LEU A 68 4.317 12.415 6.210 1.00 0.00 N ATOM 988 CA LEU A 68 5.535 12.208 5.426 1.00 0.00 C ATOM 989 C LEU A 68 5.212 11.494 4.103 1.00 0.00 C ATOM 990 O LEU A 68 5.631 11.928 3.035 1.00 0.00 O ATOM 991 CB LEU A 68 6.503 11.447 6.353 1.00 0.00 C ATOM 992 CG LEU A 68 7.747 10.817 5.710 1.00 0.00 C ATOM 993 CD1 LEU A 68 8.584 11.776 4.860 1.00 0.00 C ATOM 994 CD2 LEU A 68 8.634 10.274 6.830 1.00 0.00 C ATOM 0 H LEU A 68 3.981 11.553 6.639 1.00 0.00 H new ATOM 0 HA LEU A 68 6.007 13.138 5.111 1.00 0.00 H new ATOM 0 HB2 LEU A 68 6.837 12.135 7.130 1.00 0.00 H new ATOM 0 HB3 LEU A 68 5.942 10.655 6.849 1.00 0.00 H new ATOM 0 HG LEU A 68 7.387 10.043 5.033 1.00 0.00 H new ATOM 0 HD11 LEU A 68 9.441 11.243 4.447 1.00 0.00 H new ATOM 0 HD12 LEU A 68 7.974 12.168 4.046 1.00 0.00 H new ATOM 0 HD13 LEU A 68 8.934 12.601 5.480 1.00 0.00 H new ATOM 0 HD21 LEU A 68 9.527 9.820 6.400 1.00 0.00 H new ATOM 0 HD22 LEU A 68 8.925 11.090 7.492 1.00 0.00 H new ATOM 0 HD23 LEU A 68 8.084 9.524 7.399 1.00 0.00 H new ATOM 1006 N TYR A 69 4.427 10.418 4.142 1.00 0.00 N ATOM 1007 CA TYR A 69 4.115 9.582 2.980 1.00 0.00 C ATOM 1008 C TYR A 69 3.273 10.268 1.877 1.00 0.00 C ATOM 1009 O TYR A 69 2.045 10.370 1.975 1.00 0.00 O ATOM 1010 CB TYR A 69 3.414 8.301 3.473 1.00 0.00 C ATOM 1011 CG TYR A 69 4.304 7.109 3.775 1.00 0.00 C ATOM 1012 CD1 TYR A 69 5.679 7.236 4.059 1.00 0.00 C ATOM 1013 CD2 TYR A 69 3.743 5.823 3.688 1.00 0.00 C ATOM 1014 CE1 TYR A 69 6.470 6.089 4.256 1.00 0.00 C ATOM 1015 CE2 TYR A 69 4.541 4.681 3.787 1.00 0.00 C ATOM 1016 CZ TYR A 69 5.907 4.806 4.101 1.00 0.00 C ATOM 1017 OH TYR A 69 6.651 3.692 4.312 1.00 0.00 O ATOM 0 H TYR A 69 3.980 10.095 5.000 1.00 0.00 H new ATOM 0 HA TYR A 69 5.066 9.361 2.495 1.00 0.00 H new ATOM 0 HB2 TYR A 69 2.855 8.545 4.376 1.00 0.00 H new ATOM 0 HB3 TYR A 69 2.686 8.000 2.719 1.00 0.00 H new ATOM 0 HD1 TYR A 69 6.127 8.217 4.126 1.00 0.00 H new ATOM 0 HD2 TYR A 69 2.678 5.716 3.542 1.00 0.00 H new ATOM 0 HE1 TYR A 69 7.511 6.192 4.526 1.00 0.00 H new ATOM 0 HE2 TYR A 69 4.111 3.704 3.623 1.00 0.00 H new ATOM 0 HH TYR A 69 7.494 3.939 4.746 1.00 0.00 H new ATOM 1027 N ARG A 70 3.892 10.598 0.736 1.00 0.00 N ATOM 1028 CA ARG A 70 3.201 11.038 -0.479 1.00 0.00 C ATOM 1029 C ARG A 70 2.606 9.824 -1.211 1.00 0.00 C ATOM 1030 O ARG A 70 3.151 9.363 -2.210 1.00 0.00 O ATOM 1031 CB ARG A 70 4.227 11.771 -1.346 1.00 0.00 C ATOM 1032 CG ARG A 70 3.692 12.709 -2.440 1.00 0.00 C ATOM 1033 CD ARG A 70 2.738 12.121 -3.489 1.00 0.00 C ATOM 1034 NE ARG A 70 2.153 13.170 -4.345 1.00 0.00 N ATOM 1035 CZ ARG A 70 2.597 13.592 -5.528 1.00 0.00 C ATOM 1036 NH1 ARG A 70 3.684 13.152 -6.115 1.00 0.00 N ATOM 1037 NH2 ARG A 70 1.931 14.521 -6.182 1.00 0.00 N ATOM 0 H ARG A 70 4.906 10.565 0.632 1.00 0.00 H new ATOM 0 HA ARG A 70 2.373 11.708 -0.245 1.00 0.00 H new ATOM 0 HB2 ARG A 70 4.868 12.355 -0.686 1.00 0.00 H new ATOM 0 HB3 ARG A 70 4.859 11.023 -1.824 1.00 0.00 H new ATOM 0 HG2 ARG A 70 3.180 13.537 -1.949 1.00 0.00 H new ATOM 0 HG3 ARG A 70 4.548 13.131 -2.966 1.00 0.00 H new ATOM 0 HD2 ARG A 70 3.276 11.404 -4.109 1.00 0.00 H new ATOM 0 HD3 ARG A 70 1.940 11.573 -2.988 1.00 0.00 H new ATOM 0 HE ARG A 70 1.312 13.625 -3.990 1.00 0.00 H new ATOM 0 HH11 ARG A 70 4.254 12.437 -5.663 1.00 0.00 H new ATOM 0 HH12 ARG A 70 3.960 13.525 -7.023 1.00 0.00 H new ATOM 0 HH21 ARG A 70 1.079 14.914 -5.782 1.00 0.00 H new ATOM 0 HH22 ARG A 70 2.267 14.847 -7.088 1.00 0.00 H new ATOM 1051 N VAL A 71 1.511 9.274 -0.704 1.00 0.00 N ATOM 1052 CA VAL A 71 0.901 8.061 -1.294 1.00 0.00 C ATOM 1053 C VAL A 71 -0.022 8.410 -2.459 1.00 0.00 C ATOM 1054 O VAL A 71 -0.903 9.259 -2.339 1.00 0.00 O ATOM 1055 CB VAL A 71 0.148 7.163 -0.298 1.00 0.00 C ATOM 1056 CG1 VAL A 71 -0.109 5.772 -0.907 1.00 0.00 C ATOM 1057 CG2 VAL A 71 0.943 6.988 0.997 1.00 0.00 C ATOM 0 H VAL A 71 1.018 9.637 0.112 1.00 0.00 H new ATOM 0 HA VAL A 71 1.753 7.481 -1.648 1.00 0.00 H new ATOM 0 HB VAL A 71 -0.801 7.652 -0.077 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -0.643 5.152 -0.186 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -0.709 5.876 -1.811 1.00 0.00 H new ATOM 0 HG13 VAL A 71 0.843 5.302 -1.155 1.00 0.00 H new ATOM 0 HG21 VAL A 71 0.386 6.349 1.682 1.00 0.00 H new ATOM 0 HG22 VAL A 71 1.906 6.529 0.774 1.00 0.00 H new ATOM 0 HG23 VAL A 71 1.104 7.962 1.459 1.00 0.00 H new ATOM 1067 N SER A 72 0.174 7.730 -3.584 1.00 0.00 N ATOM 1068 CA SER A 72 -0.481 8.031 -4.855 1.00 0.00 C ATOM 1069 C SER A 72 -0.964 6.742 -5.533 1.00 0.00 C ATOM 1070 O SER A 72 -0.209 5.784 -5.628 1.00 0.00 O ATOM 1071 CB SER A 72 0.508 8.745 -5.794 1.00 0.00 C ATOM 1072 OG SER A 72 1.537 9.445 -5.109 1.00 0.00 O ATOM 0 H SER A 72 0.809 6.934 -3.640 1.00 0.00 H new ATOM 0 HA SER A 72 -1.338 8.674 -4.654 1.00 0.00 H new ATOM 0 HB2 SER A 72 0.961 8.009 -6.459 1.00 0.00 H new ATOM 0 HB3 SER A 72 -0.042 9.446 -6.422 1.00 0.00 H new ATOM 0 HG SER A 72 2.131 9.874 -5.760 1.00 0.00 H new ATOM 1078 N ILE A 73 -2.187 6.699 -6.052 1.00 0.00 N ATOM 1079 CA ILE A 73 -2.673 5.588 -6.892 1.00 0.00 C ATOM 1080 C ILE A 73 -2.150 5.777 -8.311 1.00 0.00 C ATOM 1081 O ILE A 73 -2.556 6.720 -8.987 1.00 0.00 O ATOM 1082 CB ILE A 73 -4.219 5.476 -6.834 1.00 0.00 C ATOM 1083 CG1 ILE A 73 -4.689 5.250 -5.377 1.00 0.00 C ATOM 1084 CG2 ILE A 73 -4.714 4.330 -7.744 1.00 0.00 C ATOM 1085 CD1 ILE A 73 -6.207 5.313 -5.161 1.00 0.00 C ATOM 0 H ILE A 73 -2.879 7.434 -5.906 1.00 0.00 H new ATOM 0 HA ILE A 73 -2.292 4.641 -6.510 1.00 0.00 H new ATOM 0 HB ILE A 73 -4.646 6.411 -7.195 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -4.331 4.276 -5.044 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -4.216 5.998 -4.740 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -5.801 4.266 -7.690 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -4.412 4.526 -8.773 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -4.279 3.388 -7.412 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -6.432 5.142 -4.108 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -6.576 6.295 -5.456 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -6.693 4.546 -5.765 1.00 0.00 H new ATOM 1097 N THR A 74 -1.258 4.874 -8.731 1.00 0.00 N ATOM 1098 CA THR A 74 -0.813 4.730 -10.115 1.00 0.00 C ATOM 1099 C THR A 74 -1.333 3.410 -10.665 1.00 0.00 C ATOM 1100 O THR A 74 -1.189 2.357 -10.058 1.00 0.00 O ATOM 1101 CB THR A 74 0.704 4.881 -10.232 1.00 0.00 C ATOM 1102 OG1 THR A 74 1.013 4.810 -11.601 1.00 0.00 O ATOM 1103 CG2 THR A 74 1.529 3.830 -9.485 1.00 0.00 C ATOM 0 H THR A 74 -0.816 4.207 -8.099 1.00 0.00 H new ATOM 0 HA THR A 74 -1.227 5.533 -10.725 1.00 0.00 H new ATOM 0 HB THR A 74 0.969 5.830 -9.767 1.00 0.00 H new ATOM 0 HG1 THR A 74 1.981 4.904 -11.723 1.00 0.00 H new ATOM 0 HG21 THR A 74 2.591 4.028 -9.633 1.00 0.00 H new ATOM 0 HG22 THR A 74 1.297 3.874 -8.421 1.00 0.00 H new ATOM 0 HG23 THR A 74 1.288 2.838 -9.868 1.00 0.00 H new ATOM 1111 N SER A 75 -1.978 3.486 -11.814 1.00 0.00 N ATOM 1112 CA SER A 75 -2.483 2.341 -12.589 1.00 0.00 C ATOM 1113 C SER A 75 -2.122 2.430 -14.081 1.00 0.00 C ATOM 1114 O SER A 75 -1.751 3.495 -14.582 1.00 0.00 O ATOM 1115 CB SER A 75 -4.010 2.264 -12.475 1.00 0.00 C ATOM 1116 OG SER A 75 -4.473 0.958 -12.776 1.00 0.00 O ATOM 0 H SER A 75 -2.179 4.380 -12.262 1.00 0.00 H new ATOM 0 HA SER A 75 -2.010 1.452 -12.171 1.00 0.00 H new ATOM 0 HB2 SER A 75 -4.318 2.540 -11.467 1.00 0.00 H new ATOM 0 HB3 SER A 75 -4.467 2.982 -13.156 1.00 0.00 H new ATOM 0 HG SER A 75 -5.449 0.930 -12.696 1.00 0.00 H new ATOM 1122 N GLU A 76 -2.315 1.334 -14.822 1.00 0.00 N ATOM 1123 CA GLU A 76 -2.235 1.337 -16.280 1.00 0.00 C ATOM 1124 C GLU A 76 -3.495 2.007 -16.847 1.00 0.00 C ATOM 1125 O GLU A 76 -4.499 1.369 -17.165 1.00 0.00 O ATOM 1126 CB GLU A 76 -1.993 -0.073 -16.829 1.00 0.00 C ATOM 1127 CG GLU A 76 -1.521 -0.016 -18.292 1.00 0.00 C ATOM 1128 CD GLU A 76 -1.477 -1.408 -18.915 1.00 0.00 C ATOM 1129 OE1 GLU A 76 -0.594 -2.190 -18.521 1.00 0.00 O ATOM 1130 OE2 GLU A 76 -2.387 -1.713 -19.719 1.00 0.00 O ATOM 0 H GLU A 76 -2.531 0.420 -14.424 1.00 0.00 H new ATOM 0 HA GLU A 76 -1.374 1.920 -16.605 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -1.245 -0.582 -16.220 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -2.911 -0.657 -16.761 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -2.192 0.622 -18.868 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -0.531 0.437 -18.340 1.00 0.00 H new ATOM 1137 N VAL A 77 -3.419 3.331 -16.879 1.00 0.00 N ATOM 1138 CA VAL A 77 -4.339 4.262 -17.560 1.00 0.00 C ATOM 1139 C VAL A 77 -3.819 4.561 -18.982 1.00 0.00 C ATOM 1140 O VAL A 77 -2.624 4.414 -19.230 1.00 0.00 O ATOM 1141 CB VAL A 77 -4.492 5.557 -16.718 1.00 0.00 C ATOM 1142 CG1 VAL A 77 -5.452 6.589 -17.335 1.00 0.00 C ATOM 1143 CG2 VAL A 77 -5.004 5.233 -15.299 1.00 0.00 C ATOM 0 H VAL A 77 -2.666 3.826 -16.401 1.00 0.00 H new ATOM 0 HA VAL A 77 -5.325 3.808 -17.655 1.00 0.00 H new ATOM 0 HB VAL A 77 -3.493 5.992 -16.690 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.507 7.466 -16.690 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -5.086 6.884 -18.318 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -6.444 6.149 -17.434 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -5.103 6.156 -14.728 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -5.975 4.742 -15.366 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -4.296 4.572 -14.799 1.00 0.00 H new TER 1153 VAL A 77