USER MOD reduce.3.24.130724 H: found=0, std=0, add=498, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 499 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 NoAdj-H: A 141 HIS HD1 : A 141 HIS ND1 : A 901 ZNZN :(H bumps) USER MOD Set 1.1: A 130 GLN : amide:sc= -1.82 X(o=-2.6,f=-2.3) USER MOD Set 1.2: A 137 GLN : amide:sc= -0.739 K(o=-2.6,f=-6!) USER MOD Set 2.1: A 121 SER OG : rot 178:sc= -0.545 USER MOD Set 2.2: A 123 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 106 SER OG : rot 30:sc= 0.774 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 110 GLN :FLIP amide:sc= -0.126 F(o=-0.96,f=-0.13) USER MOD Single : A 114 LYS NZ :NH3+ -156:sc= -0.388 (180deg=-1.68) USER MOD Single : A 120 SER OG : rot -51:sc= 0.918 USER MOD Single : A 122 THR OG1 : rot 180:sc= 0 USER MOD Single : A 125 ASN : amide:sc= -4.98! C(o=-5!,f=-8.2!) USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 128 MET CE :methyl 156:sc= -0.525 (180deg=-2.05!) USER MOD Single : A 134 GLN : amide:sc= -0.413 X(o=-0.41,f=-0.052) USER MOD Single : A 140 GLN : amide:sc= -0.964 K(o=-0.96,f=-4.4!) USER MOD Single : A 143 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 150 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 154 SER OG : rot 180:sc= 0 USER MOD Single : A 162 TYR OH : rot 38:sc=0.000841 USER MOD Single : A 169 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 105 10.854 14.015 6.842 1.00 0.00 N ATOM 2 CA GLY A 105 12.003 14.501 6.100 1.00 0.00 C ATOM 3 C GLY A 105 12.166 13.805 4.764 1.00 0.00 C ATOM 4 O GLY A 105 13.059 12.974 4.594 1.00 0.00 O ATOM 0 HA2 GLY A 105 11.899 15.574 5.937 1.00 0.00 H new ATOM 0 HA3 GLY A 105 12.904 14.355 6.695 1.00 0.00 H new ATOM 8 N SER A 106 11.302 14.143 3.812 1.00 0.00 N ATOM 9 CA SER A 106 11.352 13.541 2.485 1.00 0.00 C ATOM 10 C SER A 106 10.617 14.407 1.467 1.00 0.00 C ATOM 11 O SER A 106 9.648 15.089 1.801 1.00 0.00 O ATOM 12 CB SER A 106 10.739 12.139 2.515 1.00 0.00 C ATOM 13 OG SER A 106 11.703 11.169 2.888 1.00 0.00 O ATOM 0 H SER A 106 10.559 14.831 3.935 1.00 0.00 H new ATOM 0 HA SER A 106 12.398 13.467 2.186 1.00 0.00 H new ATOM 0 HB2 SER A 106 9.906 12.118 3.218 1.00 0.00 H new ATOM 0 HB3 SER A 106 10.334 11.895 1.533 1.00 0.00 H new ATOM 0 HG SER A 106 12.367 11.579 3.481 1.00 0.00 H new ATOM 19 N ASP A 107 11.086 14.375 0.225 1.00 0.00 N ATOM 20 CA ASP A 107 10.473 15.157 -0.844 1.00 0.00 C ATOM 21 C ASP A 107 9.817 14.245 -1.876 1.00 0.00 C ATOM 22 O ASP A 107 9.698 14.603 -3.048 1.00 0.00 O ATOM 23 CB ASP A 107 11.520 16.044 -1.520 1.00 0.00 C ATOM 24 CG ASP A 107 12.411 16.753 -0.520 1.00 0.00 C ATOM 25 OD1 ASP A 107 13.282 16.086 0.077 1.00 0.00 O ATOM 26 OD2 ASP A 107 12.238 17.976 -0.333 1.00 0.00 O ATOM 0 H ASP A 107 11.888 13.817 -0.067 1.00 0.00 H new ATOM 0 HA ASP A 107 9.703 15.790 -0.403 1.00 0.00 H new ATOM 0 HB2 ASP A 107 12.135 15.435 -2.182 1.00 0.00 H new ATOM 0 HB3 ASP A 107 11.017 16.784 -2.143 1.00 0.00 H new ATOM 31 N SER A 108 9.395 13.066 -1.433 1.00 0.00 N ATOM 32 CA SER A 108 8.755 12.100 -2.319 1.00 0.00 C ATOM 33 C SER A 108 7.348 11.765 -1.833 1.00 0.00 C ATOM 34 O SER A 108 6.823 10.687 -2.113 1.00 0.00 O ATOM 35 CB SER A 108 9.594 10.824 -2.409 1.00 0.00 C ATOM 36 OG SER A 108 10.827 10.976 -1.728 1.00 0.00 O ATOM 0 H SER A 108 9.484 12.756 -0.465 1.00 0.00 H new ATOM 0 HA SER A 108 8.681 12.547 -3.310 1.00 0.00 H new ATOM 0 HB2 SER A 108 9.039 9.989 -1.981 1.00 0.00 H new ATOM 0 HB3 SER A 108 9.780 10.580 -3.455 1.00 0.00 H new ATOM 0 HG SER A 108 11.344 10.147 -1.799 1.00 0.00 H new ATOM 42 N PHE A 109 6.744 12.696 -1.102 1.00 0.00 N ATOM 43 CA PHE A 109 5.399 12.500 -0.574 1.00 0.00 C ATOM 44 C PHE A 109 4.356 13.112 -1.505 1.00 0.00 C ATOM 45 O PHE A 109 4.026 14.292 -1.393 1.00 0.00 O ATOM 46 CB PHE A 109 5.280 13.118 0.820 1.00 0.00 C ATOM 47 CG PHE A 109 3.874 13.138 1.349 1.00 0.00 C ATOM 48 CD1 PHE A 109 3.066 12.017 1.248 1.00 0.00 C ATOM 49 CD2 PHE A 109 3.361 14.278 1.948 1.00 0.00 C ATOM 50 CE1 PHE A 109 1.772 12.034 1.733 1.00 0.00 C ATOM 51 CE2 PHE A 109 2.068 14.300 2.435 1.00 0.00 C ATOM 52 CZ PHE A 109 1.273 13.176 2.328 1.00 0.00 C ATOM 0 H PHE A 109 7.165 13.594 -0.862 1.00 0.00 H new ATOM 0 HA PHE A 109 5.215 11.428 -0.505 1.00 0.00 H new ATOM 0 HB2 PHE A 109 5.912 12.560 1.511 1.00 0.00 H new ATOM 0 HB3 PHE A 109 5.663 14.138 0.790 1.00 0.00 H new ATOM 0 HD1 PHE A 109 3.451 11.120 0.785 1.00 0.00 H new ATOM 0 HD2 PHE A 109 3.979 15.159 2.035 1.00 0.00 H new ATOM 0 HE1 PHE A 109 1.151 11.154 1.647 1.00 0.00 H new ATOM 0 HE2 PHE A 109 1.680 15.195 2.899 1.00 0.00 H new ATOM 0 HZ PHE A 109 0.263 13.190 2.709 1.00 0.00 H new ATOM 62 N GLN A 110 3.841 12.300 -2.423 1.00 0.00 N ATOM 63 CA GLN A 110 2.836 12.762 -3.373 1.00 0.00 C ATOM 64 C GLN A 110 1.438 12.682 -2.769 1.00 0.00 C ATOM 65 O GLN A 110 1.166 11.879 -1.876 1.00 0.00 O ATOM 66 CB GLN A 110 2.898 11.931 -4.656 1.00 0.00 C ATOM 67 CG GLN A 110 4.265 11.940 -5.321 1.00 0.00 C ATOM 68 CD GLN A 110 4.583 13.266 -5.983 1.00 0.00 C ATOM 69 OE1 GLN A 110 4.877 14.277 -5.173 1.00 0.00 O flip ATOM 70 NE2 GLN A 110 4.566 13.382 -7.208 1.00 0.00 N flip ATOM 0 H GLN A 110 4.103 11.320 -2.529 1.00 0.00 H new ATOM 0 HA GLN A 110 3.049 13.804 -3.612 1.00 0.00 H new ATOM 0 HB2 GLN A 110 2.622 10.902 -4.426 1.00 0.00 H new ATOM 0 HB3 GLN A 110 2.158 12.310 -5.361 1.00 0.00 H new ATOM 0 HG2 GLN A 110 5.029 11.718 -4.576 1.00 0.00 H new ATOM 0 HG3 GLN A 110 4.307 11.146 -6.067 1.00 0.00 H new ATOM 0 HE21 GLN A 110 4.335 12.579 -7.793 1.00 0.00 H new ATOM 0 HE22 GLN A 110 4.783 14.281 -7.638 1.00 0.00 H new ATOM 79 N PRO A 111 0.529 13.535 -3.265 1.00 0.00 N ATOM 80 CA PRO A 111 -0.856 13.581 -2.789 1.00 0.00 C ATOM 81 C PRO A 111 -1.650 12.344 -3.196 1.00 0.00 C ATOM 82 O PRO A 111 -2.633 11.986 -2.547 1.00 0.00 O ATOM 83 CB PRO A 111 -1.424 14.829 -3.469 1.00 0.00 C ATOM 84 CG PRO A 111 -0.592 15.006 -4.692 1.00 0.00 C ATOM 85 CD PRO A 111 0.784 14.520 -4.330 1.00 0.00 C ATOM 0 HA PRO A 111 -0.912 13.609 -1.701 1.00 0.00 H new ATOM 0 HB2 PRO A 111 -2.476 14.698 -3.722 1.00 0.00 H new ATOM 0 HB3 PRO A 111 -1.359 15.700 -2.816 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -1.000 14.437 -5.527 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -0.568 16.051 -5.000 1.00 0.00 H new ATOM 0 HD2 PRO A 111 1.288 14.067 -5.184 1.00 0.00 H new ATOM 0 HD3 PRO A 111 1.419 15.334 -3.981 1.00 0.00 H new ATOM 93 N GLU A 112 -1.218 11.697 -4.273 1.00 0.00 N ATOM 94 CA GLU A 112 -1.890 10.500 -4.766 1.00 0.00 C ATOM 95 C GLU A 112 -0.962 9.290 -4.703 1.00 0.00 C ATOM 96 O GLU A 112 -1.413 8.146 -4.748 1.00 0.00 O ATOM 97 CB GLU A 112 -2.371 10.714 -6.202 1.00 0.00 C ATOM 98 CG GLU A 112 -3.811 11.191 -6.298 1.00 0.00 C ATOM 99 CD GLU A 112 -3.916 12.692 -6.483 1.00 0.00 C ATOM 100 OE1 GLU A 112 -3.315 13.434 -5.678 1.00 0.00 O ATOM 101 OE2 GLU A 112 -4.601 13.125 -7.433 1.00 0.00 O ATOM 0 H GLU A 112 -0.406 11.981 -4.821 1.00 0.00 H new ATOM 0 HA GLU A 112 -2.752 10.308 -4.127 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -1.723 11.443 -6.688 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -2.269 9.779 -6.753 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -4.301 10.690 -7.133 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -4.347 10.902 -5.394 1.00 0.00 H new ATOM 108 N ALA A 113 0.336 9.552 -4.598 1.00 0.00 N ATOM 109 CA ALA A 113 1.328 8.486 -4.527 1.00 0.00 C ATOM 110 C ALA A 113 2.070 8.514 -3.195 1.00 0.00 C ATOM 111 O ALA A 113 3.144 9.106 -3.084 1.00 0.00 O ATOM 112 CB ALA A 113 2.310 8.601 -5.684 1.00 0.00 C ATOM 0 H ALA A 113 0.726 10.494 -4.560 1.00 0.00 H new ATOM 0 HA ALA A 113 0.806 7.532 -4.602 1.00 0.00 H new ATOM 0 HB1 ALA A 113 3.045 7.799 -5.618 1.00 0.00 H new ATOM 0 HB2 ALA A 113 1.771 8.523 -6.628 1.00 0.00 H new ATOM 0 HB3 ALA A 113 2.818 9.564 -5.635 1.00 0.00 H new ATOM 118 N LYS A 114 1.491 7.872 -2.187 1.00 0.00 N ATOM 119 CA LYS A 114 2.098 7.822 -0.862 1.00 0.00 C ATOM 120 C LYS A 114 2.449 6.388 -0.478 1.00 0.00 C ATOM 121 O LYS A 114 1.569 5.580 -0.183 1.00 0.00 O ATOM 122 CB LYS A 114 1.149 8.421 0.178 1.00 0.00 C ATOM 123 CG LYS A 114 1.597 8.195 1.612 1.00 0.00 C ATOM 124 CD LYS A 114 0.615 8.795 2.604 1.00 0.00 C ATOM 125 CE LYS A 114 1.333 9.551 3.712 1.00 0.00 C ATOM 126 NZ LYS A 114 1.546 8.701 4.916 1.00 0.00 N ATOM 0 H LYS A 114 0.601 7.379 -2.262 1.00 0.00 H new ATOM 0 HA LYS A 114 3.017 8.408 -0.888 1.00 0.00 H new ATOM 0 HB2 LYS A 114 1.057 9.492 -0.001 1.00 0.00 H new ATOM 0 HB3 LYS A 114 0.157 7.989 0.044 1.00 0.00 H new ATOM 0 HG2 LYS A 114 1.697 7.126 1.799 1.00 0.00 H new ATOM 0 HG3 LYS A 114 2.582 8.638 1.761 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -0.064 9.470 2.083 1.00 0.00 H new ATOM 0 HD3 LYS A 114 0.005 8.003 3.039 1.00 0.00 H new ATOM 0 HE2 LYS A 114 2.295 9.907 3.344 1.00 0.00 H new ATOM 0 HE3 LYS A 114 0.751 10.431 3.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 1.648 9.307 5.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 0.730 8.068 5.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 2.408 8.133 4.792 1.00 0.00 H new ATOM 140 N VAL A 115 3.742 6.079 -0.482 1.00 0.00 N ATOM 141 CA VAL A 115 4.211 4.744 -0.132 1.00 0.00 C ATOM 142 C VAL A 115 4.295 4.570 1.380 1.00 0.00 C ATOM 143 O VAL A 115 5.185 5.120 2.030 1.00 0.00 O ATOM 144 CB VAL A 115 5.592 4.454 -0.749 1.00 0.00 C ATOM 145 CG1 VAL A 115 5.963 2.990 -0.562 1.00 0.00 C ATOM 146 CG2 VAL A 115 5.607 4.832 -2.222 1.00 0.00 C ATOM 0 H VAL A 115 4.484 6.736 -0.724 1.00 0.00 H new ATOM 0 HA VAL A 115 3.486 4.038 -0.536 1.00 0.00 H new ATOM 0 HB VAL A 115 6.336 5.062 -0.234 1.00 0.00 H new ATOM 0 HG11 VAL A 115 6.942 2.803 -1.004 1.00 0.00 H new ATOM 0 HG12 VAL A 115 5.995 2.756 0.502 1.00 0.00 H new ATOM 0 HG13 VAL A 115 5.219 2.361 -1.050 1.00 0.00 H new ATOM 0 HG21 VAL A 115 6.590 4.620 -2.642 1.00 0.00 H new ATOM 0 HG22 VAL A 115 4.853 4.252 -2.754 1.00 0.00 H new ATOM 0 HG23 VAL A 115 5.389 5.895 -2.327 1.00 0.00 H new ATOM 156 N ARG A 116 3.363 3.802 1.935 1.00 0.00 N ATOM 157 CA ARG A 116 3.332 3.556 3.372 1.00 0.00 C ATOM 158 C ARG A 116 3.347 2.059 3.667 1.00 0.00 C ATOM 159 O ARG A 116 2.298 1.419 3.739 1.00 0.00 O ATOM 160 CB ARG A 116 2.089 4.197 3.993 1.00 0.00 C ATOM 161 CG ARG A 116 2.377 5.495 4.729 1.00 0.00 C ATOM 162 CD ARG A 116 2.554 5.262 6.221 1.00 0.00 C ATOM 163 NE ARG A 116 1.419 5.760 6.992 1.00 0.00 N ATOM 164 CZ ARG A 116 1.215 5.470 8.273 1.00 0.00 C ATOM 165 NH1 ARG A 116 2.067 4.689 8.922 1.00 0.00 N ATOM 166 NH2 ARG A 116 0.158 5.962 8.906 1.00 0.00 N ATOM 0 H ARG A 116 2.620 3.340 1.412 1.00 0.00 H new ATOM 0 HA ARG A 116 4.223 4.005 3.812 1.00 0.00 H new ATOM 0 HB2 ARG A 116 1.358 4.389 3.207 1.00 0.00 H new ATOM 0 HB3 ARG A 116 1.633 3.490 4.686 1.00 0.00 H new ATOM 0 HG2 ARG A 116 3.278 5.953 4.322 1.00 0.00 H new ATOM 0 HG3 ARG A 116 1.560 6.197 4.564 1.00 0.00 H new ATOM 0 HD2 ARG A 116 2.680 4.196 6.409 1.00 0.00 H new ATOM 0 HD3 ARG A 116 3.466 5.755 6.559 1.00 0.00 H new ATOM 0 HE ARG A 116 0.745 6.364 6.522 1.00 0.00 H new ATOM 0 HH11 ARG A 116 2.881 4.309 8.438 1.00 0.00 H new ATOM 0 HH12 ARG A 116 1.909 4.468 9.905 1.00 0.00 H new ATOM 0 HH21 ARG A 116 -0.499 6.564 8.410 1.00 0.00 H new ATOM 0 HH22 ARG A 116 0.003 5.739 9.889 1.00 0.00 H new ATOM 180 N CYS A 117 4.544 1.508 3.838 1.00 0.00 N ATOM 181 CA CYS A 117 4.698 0.087 4.125 1.00 0.00 C ATOM 182 C CYS A 117 5.167 -0.131 5.561 1.00 0.00 C ATOM 183 O CYS A 117 5.746 0.764 6.177 1.00 0.00 O ATOM 184 CB CYS A 117 5.692 -0.547 3.151 1.00 0.00 C ATOM 185 SG CYS A 117 5.632 -2.368 3.107 1.00 0.00 S ATOM 0 H CYS A 117 5.422 2.024 3.783 1.00 0.00 H new ATOM 0 HA CYS A 117 3.725 -0.390 4.003 1.00 0.00 H new ATOM 0 HB2 CYS A 117 5.498 -0.163 2.149 1.00 0.00 H new ATOM 0 HB3 CYS A 117 6.700 -0.234 3.422 1.00 0.00 H new ATOM 190 N ILE A 118 4.914 -1.324 6.086 1.00 0.00 N ATOM 191 CA ILE A 118 5.312 -1.660 7.448 1.00 0.00 C ATOM 192 C ILE A 118 6.819 -1.522 7.630 1.00 0.00 C ATOM 193 O ILE A 118 7.308 -1.351 8.747 1.00 0.00 O ATOM 194 CB ILE A 118 4.890 -3.093 7.821 1.00 0.00 C ATOM 195 CG1 ILE A 118 5.365 -4.082 6.755 1.00 0.00 C ATOM 196 CG2 ILE A 118 3.380 -3.173 7.990 1.00 0.00 C ATOM 197 CD1 ILE A 118 5.320 -5.525 7.206 1.00 0.00 C ATOM 0 H ILE A 118 4.435 -2.075 5.589 1.00 0.00 H new ATOM 0 HA ILE A 118 4.803 -0.957 8.108 1.00 0.00 H new ATOM 0 HB ILE A 118 5.357 -3.358 8.769 1.00 0.00 H new ATOM 0 HG12 ILE A 118 4.746 -3.969 5.865 1.00 0.00 H new ATOM 0 HG13 ILE A 118 6.386 -3.831 6.468 1.00 0.00 H new ATOM 0 HG21 ILE A 118 3.097 -4.192 8.254 1.00 0.00 H new ATOM 0 HG22 ILE A 118 3.066 -2.493 8.782 1.00 0.00 H new ATOM 0 HG23 ILE A 118 2.894 -2.891 7.056 1.00 0.00 H new ATOM 0 HD11 ILE A 118 5.671 -6.169 6.400 1.00 0.00 H new ATOM 0 HD12 ILE A 118 5.961 -5.654 8.078 1.00 0.00 H new ATOM 0 HD13 ILE A 118 4.296 -5.793 7.466 1.00 0.00 H new ATOM 209 N CYS A 119 7.552 -1.597 6.524 1.00 0.00 N ATOM 210 CA CYS A 119 9.005 -1.479 6.559 1.00 0.00 C ATOM 211 C CYS A 119 9.432 -0.014 6.583 1.00 0.00 C ATOM 212 O CYS A 119 10.618 0.296 6.690 1.00 0.00 O ATOM 213 CB CYS A 119 9.624 -2.182 5.350 1.00 0.00 C ATOM 214 SG CYS A 119 9.192 -1.428 3.749 1.00 0.00 S ATOM 0 H CYS A 119 7.163 -1.739 5.592 1.00 0.00 H new ATOM 0 HA CYS A 119 9.361 -1.958 7.471 1.00 0.00 H new ATOM 0 HB2 CYS A 119 10.709 -2.181 5.459 1.00 0.00 H new ATOM 0 HB3 CYS A 119 9.305 -3.224 5.347 1.00 0.00 H new ATOM 219 N SER A 120 8.456 0.883 6.483 1.00 0.00 N ATOM 220 CA SER A 120 8.730 2.315 6.489 1.00 0.00 C ATOM 221 C SER A 120 9.757 2.676 5.420 1.00 0.00 C ATOM 222 O SER A 120 10.611 3.537 5.630 1.00 0.00 O ATOM 223 CB SER A 120 9.234 2.753 7.865 1.00 0.00 C ATOM 224 OG SER A 120 10.625 2.515 7.998 1.00 0.00 O ATOM 0 H SER A 120 7.468 0.643 6.397 1.00 0.00 H new ATOM 0 HA SER A 120 7.800 2.839 6.267 1.00 0.00 H new ATOM 0 HB2 SER A 120 9.028 3.813 8.011 1.00 0.00 H new ATOM 0 HB3 SER A 120 8.693 2.213 8.643 1.00 0.00 H new ATOM 0 HG SER A 120 10.823 1.587 7.755 1.00 0.00 H new ATOM 230 N SER A 121 9.666 2.011 4.272 1.00 0.00 N ATOM 231 CA SER A 121 10.588 2.259 3.171 1.00 0.00 C ATOM 232 C SER A 121 9.828 2.542 1.879 1.00 0.00 C ATOM 233 O SER A 121 9.115 1.681 1.362 1.00 0.00 O ATOM 234 CB SER A 121 11.518 1.059 2.976 1.00 0.00 C ATOM 235 OG SER A 121 12.791 1.470 2.509 1.00 0.00 O ATOM 0 H SER A 121 8.963 1.297 4.081 1.00 0.00 H new ATOM 0 HA SER A 121 11.185 3.136 3.421 1.00 0.00 H new ATOM 0 HB2 SER A 121 11.629 0.524 3.919 1.00 0.00 H new ATOM 0 HB3 SER A 121 11.074 0.363 2.265 1.00 0.00 H new ATOM 0 HG SER A 121 13.376 0.689 2.425 1.00 0.00 H new ATOM 241 N THR A 122 9.985 3.756 1.361 1.00 0.00 N ATOM 242 CA THR A 122 9.314 4.155 0.130 1.00 0.00 C ATOM 243 C THR A 122 10.212 3.937 -1.082 1.00 0.00 C ATOM 244 O THR A 122 10.131 4.671 -2.066 1.00 0.00 O ATOM 245 CB THR A 122 8.886 5.634 0.178 1.00 0.00 C ATOM 246 OG1 THR A 122 10.033 6.481 0.048 1.00 0.00 O ATOM 247 CG2 THR A 122 8.164 5.947 1.480 1.00 0.00 C ATOM 0 H THR A 122 10.571 4.480 1.775 1.00 0.00 H new ATOM 0 HA THR A 122 8.426 3.530 0.037 1.00 0.00 H new ATOM 0 HB THR A 122 8.203 5.818 -0.651 1.00 0.00 H new ATOM 0 HG1 THR A 122 9.752 7.419 0.078 1.00 0.00 H new ATOM 0 HG21 THR A 122 7.872 6.997 1.491 1.00 0.00 H new ATOM 0 HG22 THR A 122 7.275 5.322 1.562 1.00 0.00 H new ATOM 0 HG23 THR A 122 8.828 5.747 2.321 1.00 0.00 H new ATOM 255 N MET A 123 11.067 2.922 -1.004 1.00 0.00 N ATOM 256 CA MET A 123 11.979 2.606 -2.097 1.00 0.00 C ATOM 257 C MET A 123 11.284 1.759 -3.158 1.00 0.00 C ATOM 258 O MET A 123 10.106 1.425 -3.026 1.00 0.00 O ATOM 259 CB MET A 123 13.210 1.870 -1.565 1.00 0.00 C ATOM 260 CG MET A 123 12.872 0.667 -0.700 1.00 0.00 C ATOM 261 SD MET A 123 13.596 -0.863 -1.323 1.00 0.00 S ATOM 262 CE MET A 123 14.148 -1.622 0.202 1.00 0.00 C ATOM 0 H MET A 123 11.147 2.305 -0.196 1.00 0.00 H new ATOM 0 HA MET A 123 12.295 3.543 -2.556 1.00 0.00 H new ATOM 0 HB2 MET A 123 13.819 1.542 -2.407 1.00 0.00 H new ATOM 0 HB3 MET A 123 13.816 2.565 -0.985 1.00 0.00 H new ATOM 0 HG2 MET A 123 13.225 0.844 0.316 1.00 0.00 H new ATOM 0 HG3 MET A 123 11.789 0.556 -0.646 1.00 0.00 H new ATOM 0 HE1 MET A 123 14.619 -2.580 -0.018 1.00 0.00 H new ATOM 0 HE2 MET A 123 14.868 -0.968 0.694 1.00 0.00 H new ATOM 0 HE3 MET A 123 13.293 -1.781 0.860 1.00 0.00 H new ATOM 272 N VAL A 124 12.020 1.414 -4.210 1.00 0.00 N ATOM 273 CA VAL A 124 11.474 0.605 -5.293 1.00 0.00 C ATOM 274 C VAL A 124 11.755 -0.876 -5.068 1.00 0.00 C ATOM 275 O VAL A 124 12.656 -1.448 -5.681 1.00 0.00 O ATOM 276 CB VAL A 124 12.056 1.026 -6.655 1.00 0.00 C ATOM 277 CG1 VAL A 124 11.300 0.350 -7.790 1.00 0.00 C ATOM 278 CG2 VAL A 124 12.018 2.539 -6.806 1.00 0.00 C ATOM 0 H VAL A 124 12.996 1.682 -4.335 1.00 0.00 H new ATOM 0 HA VAL A 124 10.397 0.770 -5.300 1.00 0.00 H new ATOM 0 HB VAL A 124 13.097 0.705 -6.701 1.00 0.00 H new ATOM 0 HG11 VAL A 124 11.725 0.659 -8.745 1.00 0.00 H new ATOM 0 HG12 VAL A 124 11.383 -0.732 -7.689 1.00 0.00 H new ATOM 0 HG13 VAL A 124 10.250 0.638 -7.750 1.00 0.00 H new ATOM 0 HG21 VAL A 124 12.433 2.819 -7.774 1.00 0.00 H new ATOM 0 HG22 VAL A 124 10.987 2.885 -6.740 1.00 0.00 H new ATOM 0 HG23 VAL A 124 12.607 2.999 -6.012 1.00 0.00 H new ATOM 288 N ASN A 125 10.978 -1.493 -4.183 1.00 0.00 N ATOM 289 CA ASN A 125 11.143 -2.909 -3.877 1.00 0.00 C ATOM 290 C ASN A 125 10.951 -3.763 -5.127 1.00 0.00 C ATOM 291 O ASN A 125 10.874 -3.242 -6.240 1.00 0.00 O ATOM 292 CB ASN A 125 10.149 -3.338 -2.795 1.00 0.00 C ATOM 293 CG ASN A 125 8.766 -3.606 -3.355 1.00 0.00 C ATOM 294 OD1 ASN A 125 8.135 -2.720 -3.932 1.00 0.00 O ATOM 295 ND2 ASN A 125 8.287 -4.833 -3.187 1.00 0.00 N ATOM 0 H ASN A 125 10.228 -1.034 -3.666 1.00 0.00 H new ATOM 0 HA ASN A 125 12.158 -3.059 -3.509 1.00 0.00 H new ATOM 0 HB2 ASN A 125 10.519 -4.237 -2.301 1.00 0.00 H new ATOM 0 HB3 ASN A 125 10.086 -2.560 -2.034 1.00 0.00 H new ATOM 0 HD21 ASN A 125 7.361 -5.072 -3.542 1.00 0.00 H new ATOM 0 HD22 ASN A 125 8.845 -5.536 -2.703 1.00 0.00 H new ATOM 302 N ASP A 126 10.873 -5.075 -4.934 1.00 0.00 N ATOM 303 CA ASP A 126 10.688 -6.001 -6.046 1.00 0.00 C ATOM 304 C ASP A 126 9.445 -5.639 -6.853 1.00 0.00 C ATOM 305 O ASP A 126 9.441 -5.732 -8.081 1.00 0.00 O ATOM 306 CB ASP A 126 10.575 -7.436 -5.528 1.00 0.00 C ATOM 307 CG ASP A 126 11.922 -8.126 -5.438 1.00 0.00 C ATOM 308 OD1 ASP A 126 12.560 -8.321 -6.494 1.00 0.00 O ATOM 309 OD2 ASP A 126 12.337 -8.472 -4.312 1.00 0.00 O ATOM 0 H ASP A 126 10.935 -5.521 -4.019 1.00 0.00 H new ATOM 0 HA ASP A 126 11.558 -5.926 -6.699 1.00 0.00 H new ATOM 0 HB2 ASP A 126 10.107 -7.428 -4.543 1.00 0.00 H new ATOM 0 HB3 ASP A 126 9.921 -8.007 -6.187 1.00 0.00 H new ATOM 314 N SER A 127 8.392 -5.227 -6.155 1.00 0.00 N ATOM 315 CA SER A 127 7.141 -4.856 -6.807 1.00 0.00 C ATOM 316 C SER A 127 6.240 -4.079 -5.852 1.00 0.00 C ATOM 317 O SER A 127 5.960 -4.529 -4.742 1.00 0.00 O ATOM 318 CB SER A 127 6.413 -6.104 -7.310 1.00 0.00 C ATOM 319 OG SER A 127 5.726 -5.841 -8.521 1.00 0.00 O ATOM 0 H SER A 127 8.380 -5.142 -5.139 1.00 0.00 H new ATOM 0 HA SER A 127 7.379 -4.216 -7.656 1.00 0.00 H new ATOM 0 HB2 SER A 127 7.130 -6.910 -7.463 1.00 0.00 H new ATOM 0 HB3 SER A 127 5.706 -6.446 -6.554 1.00 0.00 H new ATOM 0 HG SER A 127 5.271 -6.655 -8.822 1.00 0.00 H new ATOM 325 N MET A 128 5.791 -2.908 -6.293 1.00 0.00 N ATOM 326 CA MET A 128 4.921 -2.068 -5.478 1.00 0.00 C ATOM 327 C MET A 128 3.477 -2.148 -5.963 1.00 0.00 C ATOM 328 O MET A 128 3.214 -2.572 -7.090 1.00 0.00 O ATOM 329 CB MET A 128 5.402 -0.616 -5.510 1.00 0.00 C ATOM 330 CG MET A 128 6.888 -0.462 -5.228 1.00 0.00 C ATOM 331 SD MET A 128 7.486 1.208 -5.549 1.00 0.00 S ATOM 332 CE MET A 128 7.388 1.924 -3.910 1.00 0.00 C ATOM 0 H MET A 128 6.015 -2.520 -7.209 1.00 0.00 H new ATOM 0 HA MET A 128 4.962 -2.434 -4.452 1.00 0.00 H new ATOM 0 HB2 MET A 128 5.180 -0.190 -6.488 1.00 0.00 H new ATOM 0 HB3 MET A 128 4.839 -0.039 -4.776 1.00 0.00 H new ATOM 0 HG2 MET A 128 7.085 -0.721 -4.188 1.00 0.00 H new ATOM 0 HG3 MET A 128 7.446 -1.168 -5.843 1.00 0.00 H new ATOM 0 HE1 MET A 128 8.086 2.758 -3.835 1.00 0.00 H new ATOM 0 HE2 MET A 128 6.374 2.282 -3.729 1.00 0.00 H new ATOM 0 HE3 MET A 128 7.644 1.169 -3.167 1.00 0.00 H new ATOM 342 N ILE A 129 2.546 -1.740 -5.108 1.00 0.00 N ATOM 343 CA ILE A 129 1.130 -1.765 -5.451 1.00 0.00 C ATOM 344 C ILE A 129 0.369 -0.659 -4.729 1.00 0.00 C ATOM 345 O ILE A 129 0.574 -0.428 -3.537 1.00 0.00 O ATOM 346 CB ILE A 129 0.491 -3.123 -5.105 1.00 0.00 C ATOM 347 CG1 ILE A 129 -1.013 -3.090 -5.386 1.00 0.00 C ATOM 348 CG2 ILE A 129 0.756 -3.477 -3.649 1.00 0.00 C ATOM 349 CD1 ILE A 129 -1.684 -4.438 -5.242 1.00 0.00 C ATOM 0 H ILE A 129 2.747 -1.388 -4.172 1.00 0.00 H new ATOM 0 HA ILE A 129 1.064 -1.605 -6.527 1.00 0.00 H new ATOM 0 HB ILE A 129 0.942 -3.891 -5.733 1.00 0.00 H new ATOM 0 HG12 ILE A 129 -1.486 -2.383 -4.705 1.00 0.00 H new ATOM 0 HG13 ILE A 129 -1.177 -2.717 -6.397 1.00 0.00 H new ATOM 0 HG21 ILE A 129 0.298 -4.439 -3.419 1.00 0.00 H new ATOM 0 HG22 ILE A 129 1.831 -3.537 -3.479 1.00 0.00 H new ATOM 0 HG23 ILE A 129 0.329 -2.709 -3.004 1.00 0.00 H new ATOM 0 HD11 ILE A 129 -2.748 -4.339 -5.456 1.00 0.00 H new ATOM 0 HD12 ILE A 129 -1.237 -5.144 -5.942 1.00 0.00 H new ATOM 0 HD13 ILE A 129 -1.551 -4.804 -4.224 1.00 0.00 H new ATOM 361 N GLN A 130 -0.510 0.020 -5.458 1.00 0.00 N ATOM 362 CA GLN A 130 -1.303 1.102 -4.885 1.00 0.00 C ATOM 363 C GLN A 130 -2.615 0.573 -4.316 1.00 0.00 C ATOM 364 O GLN A 130 -3.218 -0.347 -4.870 1.00 0.00 O ATOM 365 CB GLN A 130 -1.585 2.171 -5.942 1.00 0.00 C ATOM 366 CG GLN A 130 -2.540 3.256 -5.471 1.00 0.00 C ATOM 367 CD GLN A 130 -2.256 4.601 -6.111 1.00 0.00 C ATOM 368 OE1 GLN A 130 -1.878 4.677 -7.280 1.00 0.00 O ATOM 369 NE2 GLN A 130 -2.438 5.671 -5.345 1.00 0.00 N ATOM 0 H GLN A 130 -0.691 -0.159 -6.446 1.00 0.00 H new ATOM 0 HA GLN A 130 -0.730 1.548 -4.072 1.00 0.00 H new ATOM 0 HB2 GLN A 130 -0.643 2.632 -6.241 1.00 0.00 H new ATOM 0 HB3 GLN A 130 -2.001 1.692 -6.829 1.00 0.00 H new ATOM 0 HG2 GLN A 130 -3.563 2.958 -5.699 1.00 0.00 H new ATOM 0 HG3 GLN A 130 -2.470 3.351 -4.387 1.00 0.00 H new ATOM 0 HE21 GLN A 130 -2.753 5.561 -4.381 1.00 0.00 H new ATOM 0 HE22 GLN A 130 -2.263 6.603 -5.721 1.00 0.00 H new ATOM 378 N CYS A 131 -3.053 1.160 -3.207 1.00 0.00 N ATOM 379 CA CYS A 131 -4.294 0.748 -2.562 1.00 0.00 C ATOM 380 C CYS A 131 -5.476 0.887 -3.517 1.00 0.00 C ATOM 381 O CYS A 131 -5.474 1.743 -4.401 1.00 0.00 O ATOM 382 CB CYS A 131 -4.540 1.582 -1.303 1.00 0.00 C ATOM 383 SG CYS A 131 -5.971 1.035 -0.317 1.00 0.00 S ATOM 0 H CYS A 131 -2.566 1.923 -2.736 1.00 0.00 H new ATOM 0 HA CYS A 131 -4.198 -0.301 -2.282 1.00 0.00 H new ATOM 0 HB2 CYS A 131 -3.648 1.549 -0.678 1.00 0.00 H new ATOM 0 HB3 CYS A 131 -4.688 2.622 -1.592 1.00 0.00 H new ATOM 388 N GLU A 132 -6.483 0.039 -3.331 1.00 0.00 N ATOM 389 CA GLU A 132 -7.671 0.068 -4.176 1.00 0.00 C ATOM 390 C GLU A 132 -8.730 1.000 -3.595 1.00 0.00 C ATOM 391 O GLU A 132 -9.912 0.895 -3.922 1.00 0.00 O ATOM 392 CB GLU A 132 -8.246 -1.341 -4.333 1.00 0.00 C ATOM 393 CG GLU A 132 -8.041 -1.931 -5.718 1.00 0.00 C ATOM 394 CD GLU A 132 -9.166 -1.582 -6.673 1.00 0.00 C ATOM 395 OE1 GLU A 132 -9.935 -0.648 -6.367 1.00 0.00 O ATOM 396 OE2 GLU A 132 -9.277 -2.244 -7.726 1.00 0.00 O ATOM 0 H GLU A 132 -6.500 -0.676 -2.603 1.00 0.00 H new ATOM 0 HA GLU A 132 -7.379 0.445 -5.156 1.00 0.00 H new ATOM 0 HB2 GLU A 132 -7.784 -1.997 -3.596 1.00 0.00 H new ATOM 0 HB3 GLU A 132 -9.313 -1.316 -4.112 1.00 0.00 H new ATOM 0 HG2 GLU A 132 -7.097 -1.570 -6.127 1.00 0.00 H new ATOM 0 HG3 GLU A 132 -7.960 -3.015 -5.639 1.00 0.00 H new ATOM 403 N ASP A 133 -8.297 1.912 -2.730 1.00 0.00 N ATOM 404 CA ASP A 133 -9.206 2.863 -2.103 1.00 0.00 C ATOM 405 C ASP A 133 -8.883 4.290 -2.535 1.00 0.00 C ATOM 406 O ASP A 133 -7.847 4.841 -2.164 1.00 0.00 O ATOM 407 CB ASP A 133 -9.128 2.749 -0.580 1.00 0.00 C ATOM 408 CG ASP A 133 -10.268 3.467 0.115 1.00 0.00 C ATOM 409 OD1 ASP A 133 -11.328 3.651 -0.520 1.00 0.00 O ATOM 410 OD2 ASP A 133 -10.101 3.844 1.293 1.00 0.00 O ATOM 0 H ASP A 133 -7.322 2.012 -2.448 1.00 0.00 H new ATOM 0 HA ASP A 133 -10.219 2.625 -2.426 1.00 0.00 H new ATOM 0 HB2 ASP A 133 -9.139 1.697 -0.297 1.00 0.00 H new ATOM 0 HB3 ASP A 133 -8.180 3.162 -0.236 1.00 0.00 H new ATOM 415 N GLN A 134 -9.776 4.881 -3.322 1.00 0.00 N ATOM 416 CA GLN A 134 -9.584 6.243 -3.806 1.00 0.00 C ATOM 417 C GLN A 134 -9.447 7.220 -2.643 1.00 0.00 C ATOM 418 O GLN A 134 -8.870 8.298 -2.790 1.00 0.00 O ATOM 419 CB GLN A 134 -10.754 6.659 -4.701 1.00 0.00 C ATOM 420 CG GLN A 134 -12.112 6.514 -4.033 1.00 0.00 C ATOM 421 CD GLN A 134 -13.083 5.694 -4.859 1.00 0.00 C ATOM 422 OE1 GLN A 134 -14.223 6.102 -5.083 1.00 0.00 O ATOM 423 NE2 GLN A 134 -12.637 4.530 -5.316 1.00 0.00 N ATOM 0 H GLN A 134 -10.639 4.438 -3.638 1.00 0.00 H new ATOM 0 HA GLN A 134 -8.663 6.268 -4.388 1.00 0.00 H new ATOM 0 HB2 GLN A 134 -10.617 7.697 -5.005 1.00 0.00 H new ATOM 0 HB3 GLN A 134 -10.739 6.056 -5.609 1.00 0.00 H new ATOM 0 HG2 GLN A 134 -11.985 6.045 -3.057 1.00 0.00 H new ATOM 0 HG3 GLN A 134 -12.535 7.504 -3.859 1.00 0.00 H new ATOM 0 HE21 GLN A 134 -11.685 4.231 -5.106 1.00 0.00 H new ATOM 0 HE22 GLN A 134 -13.247 3.935 -5.877 1.00 0.00 H new ATOM 432 N ARG A 135 -9.980 6.836 -1.488 1.00 0.00 N ATOM 433 CA ARG A 135 -9.918 7.679 -0.300 1.00 0.00 C ATOM 434 C ARG A 135 -8.665 7.376 0.516 1.00 0.00 C ATOM 435 O ARG A 135 -8.532 7.819 1.658 1.00 0.00 O ATOM 436 CB ARG A 135 -11.164 7.473 0.563 1.00 0.00 C ATOM 437 CG ARG A 135 -12.319 8.388 0.192 1.00 0.00 C ATOM 438 CD ARG A 135 -13.662 7.731 0.471 1.00 0.00 C ATOM 439 NE ARG A 135 -14.534 8.587 1.272 1.00 0.00 N ATOM 440 CZ ARG A 135 -14.344 8.825 2.565 1.00 0.00 C ATOM 441 NH1 ARG A 135 -13.318 8.275 3.200 1.00 0.00 N ATOM 442 NH2 ARG A 135 -15.181 9.614 3.226 1.00 0.00 N ATOM 0 H ARG A 135 -10.460 5.947 -1.349 1.00 0.00 H new ATOM 0 HA ARG A 135 -9.877 8.719 -0.624 1.00 0.00 H new ATOM 0 HB2 ARG A 135 -11.490 6.437 0.475 1.00 0.00 H new ATOM 0 HB3 ARG A 135 -10.903 7.637 1.608 1.00 0.00 H new ATOM 0 HG2 ARG A 135 -12.244 9.318 0.756 1.00 0.00 H new ATOM 0 HG3 ARG A 135 -12.253 8.649 -0.864 1.00 0.00 H new ATOM 0 HD2 ARG A 135 -14.153 7.495 -0.473 1.00 0.00 H new ATOM 0 HD3 ARG A 135 -13.503 6.787 0.992 1.00 0.00 H new ATOM 0 HE ARG A 135 -15.332 9.026 0.813 1.00 0.00 H new ATOM 0 HH11 ARG A 135 -12.672 7.668 2.696 1.00 0.00 H new ATOM 0 HH12 ARG A 135 -13.174 8.459 4.193 1.00 0.00 H new ATOM 0 HH21 ARG A 135 -15.972 10.039 2.741 1.00 0.00 H new ATOM 0 HH22 ARG A 135 -15.034 9.796 4.219 1.00 0.00 H new ATOM 456 N CYS A 136 -7.748 6.618 -0.076 1.00 0.00 N ATOM 457 CA CYS A 136 -6.506 6.254 0.596 1.00 0.00 C ATOM 458 C CYS A 136 -5.300 6.566 -0.286 1.00 0.00 C ATOM 459 O CYS A 136 -4.443 7.369 0.081 1.00 0.00 O ATOM 460 CB CYS A 136 -6.515 4.768 0.960 1.00 0.00 C ATOM 461 SG CYS A 136 -5.543 4.361 2.446 1.00 0.00 S ATOM 0 H CYS A 136 -7.842 6.244 -1.020 1.00 0.00 H new ATOM 0 HA CYS A 136 -6.429 6.844 1.509 1.00 0.00 H new ATOM 0 HB2 CYS A 136 -7.546 4.449 1.114 1.00 0.00 H new ATOM 0 HB3 CYS A 136 -6.127 4.196 0.117 1.00 0.00 H new ATOM 466 N GLN A 137 -5.242 5.925 -1.449 1.00 0.00 N ATOM 467 CA GLN A 137 -4.141 6.134 -2.381 1.00 0.00 C ATOM 468 C GLN A 137 -2.796 5.936 -1.690 1.00 0.00 C ATOM 469 O GLN A 137 -1.992 6.863 -1.597 1.00 0.00 O ATOM 470 CB GLN A 137 -4.216 7.537 -2.985 1.00 0.00 C ATOM 471 CG GLN A 137 -5.470 7.779 -3.809 1.00 0.00 C ATOM 472 CD GLN A 137 -5.235 7.599 -5.296 1.00 0.00 C ATOM 473 OE1 GLN A 137 -5.016 8.568 -6.024 1.00 0.00 O ATOM 474 NE2 GLN A 137 -5.279 6.354 -5.757 1.00 0.00 N ATOM 0 H GLN A 137 -5.944 5.257 -1.768 1.00 0.00 H new ATOM 0 HA GLN A 137 -4.230 5.397 -3.179 1.00 0.00 H new ATOM 0 HB2 GLN A 137 -4.172 8.272 -2.181 1.00 0.00 H new ATOM 0 HB3 GLN A 137 -3.341 7.700 -3.614 1.00 0.00 H new ATOM 0 HG2 GLN A 137 -6.252 7.093 -3.483 1.00 0.00 H new ATOM 0 HG3 GLN A 137 -5.834 8.789 -3.622 1.00 0.00 H new ATOM 0 HE21 GLN A 137 -5.464 5.580 -5.119 1.00 0.00 H new ATOM 0 HE22 GLN A 137 -5.128 6.172 -6.749 1.00 0.00 H new ATOM 483 N VAL A 138 -2.559 4.721 -1.204 1.00 0.00 N ATOM 484 CA VAL A 138 -1.311 4.401 -0.521 1.00 0.00 C ATOM 485 C VAL A 138 -0.619 3.208 -1.171 1.00 0.00 C ATOM 486 O VAL A 138 -1.208 2.136 -1.308 1.00 0.00 O ATOM 487 CB VAL A 138 -1.550 4.093 0.969 1.00 0.00 C ATOM 488 CG1 VAL A 138 -1.852 5.371 1.736 1.00 0.00 C ATOM 489 CG2 VAL A 138 -2.678 3.086 1.130 1.00 0.00 C ATOM 0 H VAL A 138 -3.215 3.943 -1.271 1.00 0.00 H new ATOM 0 HA VAL A 138 -0.670 5.279 -0.605 1.00 0.00 H new ATOM 0 HB VAL A 138 -0.641 3.655 1.382 1.00 0.00 H new ATOM 0 HG11 VAL A 138 -2.018 5.134 2.787 1.00 0.00 H new ATOM 0 HG12 VAL A 138 -1.009 6.056 1.647 1.00 0.00 H new ATOM 0 HG13 VAL A 138 -2.746 5.840 1.324 1.00 0.00 H new ATOM 0 HG21 VAL A 138 -2.833 2.880 2.189 1.00 0.00 H new ATOM 0 HG22 VAL A 138 -3.594 3.494 0.702 1.00 0.00 H new ATOM 0 HG23 VAL A 138 -2.417 2.162 0.615 1.00 0.00 H new ATOM 499 N TRP A 139 0.633 3.402 -1.569 1.00 0.00 N ATOM 500 CA TRP A 139 1.406 2.341 -2.204 1.00 0.00 C ATOM 501 C TRP A 139 2.115 1.485 -1.161 1.00 0.00 C ATOM 502 O TRP A 139 2.540 1.985 -0.120 1.00 0.00 O ATOM 503 CB TRP A 139 2.428 2.937 -3.173 1.00 0.00 C ATOM 504 CG TRP A 139 1.802 3.689 -4.308 1.00 0.00 C ATOM 505 CD1 TRP A 139 0.941 4.745 -4.215 1.00 0.00 C ATOM 506 CD2 TRP A 139 1.988 3.442 -5.706 1.00 0.00 C ATOM 507 NE1 TRP A 139 0.580 5.169 -5.472 1.00 0.00 N ATOM 508 CE2 TRP A 139 1.209 4.387 -6.403 1.00 0.00 C ATOM 509 CE3 TRP A 139 2.737 2.516 -6.437 1.00 0.00 C ATOM 510 CZ2 TRP A 139 1.160 4.429 -7.794 1.00 0.00 C ATOM 511 CZ3 TRP A 139 2.687 2.559 -7.817 1.00 0.00 C ATOM 512 CH2 TRP A 139 1.903 3.510 -8.484 1.00 0.00 C ATOM 0 H TRP A 139 1.134 4.284 -1.463 1.00 0.00 H new ATOM 0 HA TRP A 139 0.716 1.706 -2.760 1.00 0.00 H new ATOM 0 HB2 TRP A 139 3.091 3.607 -2.625 1.00 0.00 H new ATOM 0 HB3 TRP A 139 3.047 2.135 -3.575 1.00 0.00 H new ATOM 0 HD1 TRP A 139 0.595 5.183 -3.290 1.00 0.00 H new ATOM 0 HE1 TRP A 139 -0.054 5.941 -5.678 1.00 0.00 H new ATOM 0 HE3 TRP A 139 3.344 1.780 -5.932 1.00 0.00 H new ATOM 0 HZ2 TRP A 139 0.557 5.161 -8.310 1.00 0.00 H new ATOM 0 HZ3 TRP A 139 3.262 1.848 -8.391 1.00 0.00 H new ATOM 0 HH2 TRP A 139 1.885 3.518 -9.564 1.00 0.00 H new ATOM 523 N GLN A 140 2.238 0.192 -1.446 1.00 0.00 N ATOM 524 CA GLN A 140 2.896 -0.733 -0.531 1.00 0.00 C ATOM 525 C GLN A 140 3.642 -1.819 -1.298 1.00 0.00 C ATOM 526 O GLN A 140 3.294 -2.141 -2.435 1.00 0.00 O ATOM 527 CB GLN A 140 1.870 -1.368 0.409 1.00 0.00 C ATOM 528 CG GLN A 140 1.378 -0.428 1.498 1.00 0.00 C ATOM 529 CD GLN A 140 0.797 -1.167 2.688 1.00 0.00 C ATOM 530 OE1 GLN A 140 0.831 -2.396 2.747 1.00 0.00 O ATOM 531 NE2 GLN A 140 0.259 -0.418 3.644 1.00 0.00 N ATOM 0 H GLN A 140 1.891 -0.238 -2.303 1.00 0.00 H new ATOM 0 HA GLN A 140 3.619 -0.170 0.059 1.00 0.00 H new ATOM 0 HB2 GLN A 140 1.017 -1.711 -0.176 1.00 0.00 H new ATOM 0 HB3 GLN A 140 2.312 -2.249 0.874 1.00 0.00 H new ATOM 0 HG2 GLN A 140 2.205 0.199 1.833 1.00 0.00 H new ATOM 0 HG3 GLN A 140 0.621 0.238 1.083 1.00 0.00 H new ATOM 0 HE21 GLN A 140 0.253 0.598 3.553 1.00 0.00 H new ATOM 0 HE22 GLN A 140 -0.148 -0.859 4.469 1.00 0.00 H new ATOM 540 N HIS A 141 4.670 -2.381 -0.669 1.00 0.00 N ATOM 541 CA HIS A 141 5.466 -3.432 -1.293 1.00 0.00 C ATOM 542 C HIS A 141 4.675 -4.734 -1.377 1.00 0.00 C ATOM 543 O HIS A 141 4.351 -5.342 -0.356 1.00 0.00 O ATOM 544 CB HIS A 141 6.758 -3.656 -0.508 1.00 0.00 C ATOM 545 CG HIS A 141 7.641 -2.447 -0.449 1.00 0.00 C ATOM 546 ND1 HIS A 141 8.470 -2.172 0.617 1.00 0.00 N ATOM 547 CD2 HIS A 141 7.822 -1.440 -1.335 1.00 0.00 C ATOM 548 CE1 HIS A 141 9.122 -1.046 0.387 1.00 0.00 C ATOM 549 NE2 HIS A 141 8.747 -0.582 -0.792 1.00 0.00 N ATOM 0 H HIS A 141 4.971 -2.126 0.272 1.00 0.00 H new ATOM 0 HA HIS A 141 5.716 -3.113 -2.305 1.00 0.00 H new ATOM 0 HB2 HIS A 141 6.508 -3.963 0.508 1.00 0.00 H new ATOM 0 HB3 HIS A 141 7.311 -4.478 -0.962 1.00 0.00 H new ATOM 0 HD2 HIS A 141 7.331 -1.331 -2.291 1.00 0.00 H new ATOM 0 HE1 HIS A 141 9.839 -0.584 1.049 1.00 0.00 H new ATOM 0 HE2 HIS A 141 9.089 0.274 -1.228 1.00 0.00 H new ATOM 557 N LEU A 142 4.368 -5.156 -2.599 1.00 0.00 N ATOM 558 CA LEU A 142 3.615 -6.386 -2.816 1.00 0.00 C ATOM 559 C LEU A 142 4.246 -7.552 -2.061 1.00 0.00 C ATOM 560 O LEU A 142 3.546 -8.368 -1.463 1.00 0.00 O ATOM 561 CB LEU A 142 3.547 -6.708 -4.310 1.00 0.00 C ATOM 562 CG LEU A 142 2.210 -6.428 -4.997 1.00 0.00 C ATOM 563 CD1 LEU A 142 2.280 -6.794 -6.471 1.00 0.00 C ATOM 564 CD2 LEU A 142 1.087 -7.191 -4.309 1.00 0.00 C ATOM 0 H LEU A 142 4.629 -4.665 -3.454 1.00 0.00 H new ATOM 0 HA LEU A 142 2.604 -6.236 -2.436 1.00 0.00 H new ATOM 0 HB2 LEU A 142 4.322 -6.136 -4.820 1.00 0.00 H new ATOM 0 HB3 LEU A 142 3.788 -7.762 -4.445 1.00 0.00 H new ATOM 0 HG LEU A 142 1.999 -5.361 -4.918 1.00 0.00 H new ATOM 0 HD11 LEU A 142 1.319 -6.588 -6.943 1.00 0.00 H new ATOM 0 HD12 LEU A 142 3.057 -6.203 -6.956 1.00 0.00 H new ATOM 0 HD13 LEU A 142 2.514 -7.854 -6.572 1.00 0.00 H new ATOM 0 HD21 LEU A 142 0.143 -6.980 -4.811 1.00 0.00 H new ATOM 0 HD22 LEU A 142 1.292 -8.261 -4.356 1.00 0.00 H new ATOM 0 HD23 LEU A 142 1.021 -6.880 -3.266 1.00 0.00 H new ATOM 576 N ASN A 143 5.573 -7.622 -2.092 1.00 0.00 N ATOM 577 CA ASN A 143 6.298 -8.686 -1.410 1.00 0.00 C ATOM 578 C ASN A 143 6.066 -8.624 0.097 1.00 0.00 C ATOM 579 O ASN A 143 6.066 -9.649 0.779 1.00 0.00 O ATOM 580 CB ASN A 143 7.795 -8.586 -1.710 1.00 0.00 C ATOM 581 CG ASN A 143 8.228 -9.534 -2.812 1.00 0.00 C ATOM 582 OD1 ASN A 143 8.793 -10.595 -2.547 1.00 0.00 O ATOM 583 ND2 ASN A 143 7.965 -9.153 -4.057 1.00 0.00 N ATOM 0 H ASN A 143 6.167 -6.954 -2.583 1.00 0.00 H new ATOM 0 HA ASN A 143 5.923 -9.640 -1.779 1.00 0.00 H new ATOM 0 HB2 ASN A 143 8.038 -7.563 -1.998 1.00 0.00 H new ATOM 0 HB3 ASN A 143 8.360 -8.804 -0.804 1.00 0.00 H new ATOM 0 HD21 ASN A 143 8.234 -9.749 -4.840 1.00 0.00 H new ATOM 0 HD22 ASN A 143 7.494 -8.265 -4.230 1.00 0.00 H new ATOM 590 N CYS A 144 5.867 -7.414 0.610 1.00 0.00 N ATOM 591 CA CYS A 144 5.633 -7.216 2.035 1.00 0.00 C ATOM 592 C CYS A 144 4.202 -7.593 2.409 1.00 0.00 C ATOM 593 O CYS A 144 3.947 -8.095 3.503 1.00 0.00 O ATOM 594 CB CYS A 144 5.906 -5.761 2.420 1.00 0.00 C ATOM 595 SG CYS A 144 7.674 -5.352 2.575 1.00 0.00 S ATOM 0 H CYS A 144 5.863 -6.556 0.059 1.00 0.00 H new ATOM 0 HA CYS A 144 6.316 -7.865 2.584 1.00 0.00 H new ATOM 0 HB2 CYS A 144 5.457 -5.108 1.671 1.00 0.00 H new ATOM 0 HB3 CYS A 144 5.410 -5.548 3.367 1.00 0.00 H new ATOM 600 N VAL A 145 3.273 -7.348 1.491 1.00 0.00 N ATOM 601 CA VAL A 145 1.868 -7.663 1.722 1.00 0.00 C ATOM 602 C VAL A 145 1.482 -8.978 1.055 1.00 0.00 C ATOM 603 O VAL A 145 0.300 -9.294 0.919 1.00 0.00 O ATOM 604 CB VAL A 145 0.948 -6.544 1.197 1.00 0.00 C ATOM 605 CG1 VAL A 145 1.067 -5.302 2.067 1.00 0.00 C ATOM 606 CG2 VAL A 145 1.276 -6.223 -0.253 1.00 0.00 C ATOM 0 H VAL A 145 3.468 -6.932 0.580 1.00 0.00 H new ATOM 0 HA VAL A 145 1.738 -7.754 2.800 1.00 0.00 H new ATOM 0 HB VAL A 145 -0.084 -6.893 1.244 1.00 0.00 H new ATOM 0 HG11 VAL A 145 0.410 -4.523 1.681 1.00 0.00 H new ATOM 0 HG12 VAL A 145 0.779 -5.545 3.090 1.00 0.00 H new ATOM 0 HG13 VAL A 145 2.097 -4.947 2.055 1.00 0.00 H new ATOM 0 HG21 VAL A 145 0.617 -5.431 -0.608 1.00 0.00 H new ATOM 0 HG22 VAL A 145 2.312 -5.894 -0.327 1.00 0.00 H new ATOM 0 HG23 VAL A 145 1.134 -7.114 -0.864 1.00 0.00 H new ATOM 616 N LEU A 146 2.487 -9.742 0.642 1.00 0.00 N ATOM 617 CA LEU A 146 2.254 -11.026 -0.011 1.00 0.00 C ATOM 618 C LEU A 146 2.445 -12.178 0.970 1.00 0.00 C ATOM 619 O LEU A 146 3.439 -12.231 1.695 1.00 0.00 O ATOM 620 CB LEU A 146 3.199 -11.193 -1.202 1.00 0.00 C ATOM 621 CG LEU A 146 2.606 -10.887 -2.578 1.00 0.00 C ATOM 622 CD1 LEU A 146 3.677 -10.980 -3.654 1.00 0.00 C ATOM 623 CD2 LEU A 146 1.455 -11.835 -2.885 1.00 0.00 C ATOM 0 H LEU A 146 3.471 -9.495 0.747 1.00 0.00 H new ATOM 0 HA LEU A 146 1.224 -11.044 -0.367 1.00 0.00 H new ATOM 0 HB2 LEU A 146 4.062 -10.546 -1.049 1.00 0.00 H new ATOM 0 HB3 LEU A 146 3.567 -12.219 -1.207 1.00 0.00 H new ATOM 0 HG LEU A 146 2.219 -9.868 -2.567 1.00 0.00 H new ATOM 0 HD11 LEU A 146 3.236 -10.759 -4.626 1.00 0.00 H new ATOM 0 HD12 LEU A 146 4.469 -10.261 -3.443 1.00 0.00 H new ATOM 0 HD13 LEU A 146 4.095 -11.987 -3.665 1.00 0.00 H new ATOM 0 HD21 LEU A 146 1.045 -11.603 -3.868 1.00 0.00 H new ATOM 0 HD22 LEU A 146 1.818 -12.863 -2.877 1.00 0.00 H new ATOM 0 HD23 LEU A 146 0.677 -11.719 -2.131 1.00 0.00 H new ATOM 635 N ILE A 147 1.487 -13.099 0.986 1.00 0.00 N ATOM 636 CA ILE A 147 1.552 -14.252 1.875 1.00 0.00 C ATOM 637 C ILE A 147 1.459 -15.557 1.091 1.00 0.00 C ATOM 638 O ILE A 147 0.375 -16.089 0.849 1.00 0.00 O ATOM 639 CB ILE A 147 0.426 -14.217 2.925 1.00 0.00 C ATOM 640 CG1 ILE A 147 -0.022 -12.775 3.176 1.00 0.00 C ATOM 641 CG2 ILE A 147 0.890 -14.866 4.221 1.00 0.00 C ATOM 642 CD1 ILE A 147 1.073 -11.889 3.727 1.00 0.00 C ATOM 0 H ILE A 147 0.657 -13.069 0.394 1.00 0.00 H new ATOM 0 HA ILE A 147 2.515 -14.204 2.384 1.00 0.00 H new ATOM 0 HB ILE A 147 -0.425 -14.781 2.543 1.00 0.00 H new ATOM 0 HG12 ILE A 147 -0.387 -12.349 2.242 1.00 0.00 H new ATOM 0 HG13 ILE A 147 -0.860 -12.780 3.873 1.00 0.00 H new ATOM 0 HG21 ILE A 147 0.083 -14.834 4.953 1.00 0.00 H new ATOM 0 HG22 ILE A 147 1.165 -15.903 4.030 1.00 0.00 H new ATOM 0 HG23 ILE A 147 1.754 -14.327 4.609 1.00 0.00 H new ATOM 0 HD11 ILE A 147 0.684 -10.882 3.880 1.00 0.00 H new ATOM 0 HD12 ILE A 147 1.423 -12.291 4.678 1.00 0.00 H new ATOM 0 HD13 ILE A 147 1.903 -11.854 3.021 1.00 0.00 H new ATOM 654 N PRO A 148 2.622 -16.087 0.684 1.00 0.00 N ATOM 655 CA PRO A 148 2.699 -17.338 -0.076 1.00 0.00 C ATOM 656 C PRO A 148 2.327 -18.553 0.767 1.00 0.00 C ATOM 657 O PRO A 148 2.579 -18.586 1.971 1.00 0.00 O ATOM 658 CB PRO A 148 4.170 -17.408 -0.496 1.00 0.00 C ATOM 659 CG PRO A 148 4.894 -16.605 0.529 1.00 0.00 C ATOM 660 CD PRO A 148 3.952 -15.507 0.937 1.00 0.00 C ATOM 0 HA PRO A 148 2.001 -17.350 -0.913 1.00 0.00 H new ATOM 0 HB2 PRO A 148 4.527 -18.438 -0.517 1.00 0.00 H new ATOM 0 HB3 PRO A 148 4.316 -16.999 -1.496 1.00 0.00 H new ATOM 0 HG2 PRO A 148 5.169 -17.221 1.385 1.00 0.00 H new ATOM 0 HG3 PRO A 148 5.818 -16.195 0.122 1.00 0.00 H new ATOM 0 HD2 PRO A 148 4.080 -15.237 1.985 1.00 0.00 H new ATOM 0 HD3 PRO A 148 4.113 -14.601 0.352 1.00 0.00 H new ATOM 668 N ASP A 149 1.727 -19.550 0.126 1.00 0.00 N ATOM 669 CA ASP A 149 1.321 -20.768 0.817 1.00 0.00 C ATOM 670 C ASP A 149 2.538 -21.540 1.318 1.00 0.00 C ATOM 671 O ASP A 149 2.416 -22.449 2.139 1.00 0.00 O ATOM 672 CB ASP A 149 0.488 -21.653 -0.111 1.00 0.00 C ATOM 673 CG ASP A 149 -0.580 -22.430 0.634 1.00 0.00 C ATOM 674 OD1 ASP A 149 -0.272 -23.534 1.131 1.00 0.00 O ATOM 675 OD2 ASP A 149 -1.722 -21.934 0.721 1.00 0.00 O ATOM 0 H ASP A 149 1.511 -19.539 -0.871 1.00 0.00 H new ATOM 0 HA ASP A 149 0.714 -20.483 1.676 1.00 0.00 H new ATOM 0 HB2 ASP A 149 0.017 -21.033 -0.873 1.00 0.00 H new ATOM 0 HB3 ASP A 149 1.146 -22.351 -0.630 1.00 0.00 H new ATOM 680 N LYS A 150 3.713 -21.172 0.817 1.00 0.00 N ATOM 681 CA LYS A 150 4.953 -21.828 1.212 1.00 0.00 C ATOM 682 C LYS A 150 6.165 -21.041 0.723 1.00 0.00 C ATOM 683 O LYS A 150 6.101 -20.305 -0.261 1.00 0.00 O ATOM 684 CB LYS A 150 4.999 -23.254 0.657 1.00 0.00 C ATOM 685 CG LYS A 150 5.302 -23.318 -0.830 1.00 0.00 C ATOM 686 CD LYS A 150 5.380 -24.754 -1.321 1.00 0.00 C ATOM 687 CE LYS A 150 6.739 -25.371 -1.026 1.00 0.00 C ATOM 688 NZ LYS A 150 6.900 -26.697 -1.685 1.00 0.00 N ATOM 0 H LYS A 150 3.832 -20.422 0.136 1.00 0.00 H new ATOM 0 HA LYS A 150 4.983 -21.867 2.301 1.00 0.00 H new ATOM 0 HB2 LYS A 150 5.756 -23.821 1.198 1.00 0.00 H new ATOM 0 HB3 LYS A 150 4.041 -23.739 0.845 1.00 0.00 H new ATOM 0 HG2 LYS A 150 4.529 -22.785 -1.383 1.00 0.00 H new ATOM 0 HG3 LYS A 150 6.246 -22.811 -1.032 1.00 0.00 H new ATOM 0 HD2 LYS A 150 4.599 -25.346 -0.843 1.00 0.00 H new ATOM 0 HD3 LYS A 150 5.191 -24.784 -2.394 1.00 0.00 H new ATOM 0 HE2 LYS A 150 7.525 -24.698 -1.367 1.00 0.00 H new ATOM 0 HE3 LYS A 150 6.861 -25.483 0.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 150 7.838 -27.085 -1.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 150 6.165 -27.347 -1.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 150 6.809 -26.586 -2.715 1.00 0.00 H new ATOM 702 N PRO A 151 7.297 -21.201 1.424 1.00 0.00 N ATOM 703 CA PRO A 151 8.546 -20.515 1.078 1.00 0.00 C ATOM 704 C PRO A 151 9.157 -21.041 -0.216 1.00 0.00 C ATOM 705 O PRO A 151 9.538 -22.208 -0.304 1.00 0.00 O ATOM 706 CB PRO A 151 9.461 -20.822 2.266 1.00 0.00 C ATOM 707 CG PRO A 151 8.933 -22.096 2.830 1.00 0.00 C ATOM 708 CD PRO A 151 7.446 -22.063 2.608 1.00 0.00 C ATOM 0 HA PRO A 151 8.392 -19.450 0.906 1.00 0.00 H new ATOM 0 HB2 PRO A 151 10.499 -20.929 1.950 1.00 0.00 H new ATOM 0 HB3 PRO A 151 9.434 -20.021 3.004 1.00 0.00 H new ATOM 0 HG2 PRO A 151 9.382 -22.957 2.336 1.00 0.00 H new ATOM 0 HG3 PRO A 151 9.167 -22.180 3.891 1.00 0.00 H new ATOM 0 HD2 PRO A 151 7.044 -23.061 2.432 1.00 0.00 H new ATOM 0 HD3 PRO A 151 6.920 -21.655 3.471 1.00 0.00 H new ATOM 716 N GLY A 152 9.248 -20.173 -1.219 1.00 0.00 N ATOM 717 CA GLY A 152 9.814 -20.570 -2.495 1.00 0.00 C ATOM 718 C GLY A 152 8.793 -20.549 -3.614 1.00 0.00 C ATOM 719 O GLY A 152 9.149 -20.424 -4.785 1.00 0.00 O ATOM 0 H GLY A 152 8.940 -19.202 -1.171 1.00 0.00 H new ATOM 0 HA2 GLY A 152 10.638 -19.902 -2.747 1.00 0.00 H new ATOM 0 HA3 GLY A 152 10.232 -21.573 -2.407 1.00 0.00 H new ATOM 723 N GLU A 153 7.519 -20.673 -3.254 1.00 0.00 N ATOM 724 CA GLU A 153 6.444 -20.669 -4.239 1.00 0.00 C ATOM 725 C GLU A 153 6.028 -19.243 -4.585 1.00 0.00 C ATOM 726 O GLU A 153 6.578 -18.278 -4.055 1.00 0.00 O ATOM 727 CB GLU A 153 5.238 -21.450 -3.712 1.00 0.00 C ATOM 728 CG GLU A 153 5.193 -22.893 -4.186 1.00 0.00 C ATOM 729 CD GLU A 153 5.238 -23.012 -5.697 1.00 0.00 C ATOM 730 OE1 GLU A 153 4.878 -22.032 -6.381 1.00 0.00 O ATOM 731 OE2 GLU A 153 5.633 -24.087 -6.195 1.00 0.00 O ATOM 0 H GLU A 153 7.207 -20.777 -2.289 1.00 0.00 H new ATOM 0 HA GLU A 153 6.813 -21.151 -5.144 1.00 0.00 H new ATOM 0 HB2 GLU A 153 5.254 -21.435 -2.622 1.00 0.00 H new ATOM 0 HB3 GLU A 153 4.324 -20.945 -4.025 1.00 0.00 H new ATOM 0 HG2 GLU A 153 6.033 -23.439 -3.757 1.00 0.00 H new ATOM 0 HG3 GLU A 153 4.283 -23.365 -3.815 1.00 0.00 H new ATOM 738 N SER A 154 5.053 -19.118 -5.480 1.00 0.00 N ATOM 739 CA SER A 154 4.565 -17.810 -5.902 1.00 0.00 C ATOM 740 C SER A 154 3.504 -17.289 -4.937 1.00 0.00 C ATOM 741 O SER A 154 2.428 -17.871 -4.808 1.00 0.00 O ATOM 742 CB SER A 154 3.990 -17.889 -7.317 1.00 0.00 C ATOM 743 OG SER A 154 4.990 -17.638 -8.289 1.00 0.00 O ATOM 0 H SER A 154 4.585 -19.907 -5.927 1.00 0.00 H new ATOM 0 HA SER A 154 5.406 -17.117 -5.898 1.00 0.00 H new ATOM 0 HB2 SER A 154 3.557 -18.876 -7.482 1.00 0.00 H new ATOM 0 HB3 SER A 154 3.183 -17.165 -7.426 1.00 0.00 H new ATOM 0 HG SER A 154 4.597 -17.696 -9.185 1.00 0.00 H new ATOM 749 N ALA A 155 3.817 -16.188 -4.262 1.00 0.00 N ATOM 750 CA ALA A 155 2.891 -15.586 -3.311 1.00 0.00 C ATOM 751 C ALA A 155 1.528 -15.342 -3.951 1.00 0.00 C ATOM 752 O ALA A 155 1.389 -15.388 -5.172 1.00 0.00 O ATOM 753 CB ALA A 155 3.462 -14.284 -2.769 1.00 0.00 C ATOM 0 H ALA A 155 4.705 -15.695 -4.356 1.00 0.00 H new ATOM 0 HA ALA A 155 2.756 -16.283 -2.484 1.00 0.00 H new ATOM 0 HB1 ALA A 155 2.759 -13.846 -2.060 1.00 0.00 H new ATOM 0 HB2 ALA A 155 4.408 -14.483 -2.266 1.00 0.00 H new ATOM 0 HB3 ALA A 155 3.628 -13.589 -3.592 1.00 0.00 H new ATOM 759 N GLU A 156 0.526 -15.082 -3.117 1.00 0.00 N ATOM 760 CA GLU A 156 -0.826 -14.832 -3.603 1.00 0.00 C ATOM 761 C GLU A 156 -1.047 -13.344 -3.855 1.00 0.00 C ATOM 762 O GLU A 156 -1.250 -12.568 -2.922 1.00 0.00 O ATOM 763 CB GLU A 156 -1.857 -15.349 -2.597 1.00 0.00 C ATOM 764 CG GLU A 156 -2.911 -16.252 -3.215 1.00 0.00 C ATOM 765 CD GLU A 156 -3.855 -15.503 -4.134 1.00 0.00 C ATOM 766 OE1 GLU A 156 -3.417 -15.096 -5.231 1.00 0.00 O ATOM 767 OE2 GLU A 156 -5.032 -15.324 -3.758 1.00 0.00 O ATOM 0 H GLU A 156 0.625 -15.039 -2.103 1.00 0.00 H new ATOM 0 HA GLU A 156 -0.950 -15.365 -4.546 1.00 0.00 H new ATOM 0 HB2 GLU A 156 -1.340 -15.895 -1.808 1.00 0.00 H new ATOM 0 HB3 GLU A 156 -2.350 -14.499 -2.126 1.00 0.00 H new ATOM 0 HG2 GLU A 156 -2.419 -17.047 -3.775 1.00 0.00 H new ATOM 0 HG3 GLU A 156 -3.485 -16.730 -2.421 1.00 0.00 H new ATOM 774 N VAL A 157 -1.005 -12.952 -5.125 1.00 0.00 N ATOM 775 CA VAL A 157 -1.201 -11.558 -5.502 1.00 0.00 C ATOM 776 C VAL A 157 -2.595 -11.334 -6.076 1.00 0.00 C ATOM 777 O VAL A 157 -2.840 -11.521 -7.268 1.00 0.00 O ATOM 778 CB VAL A 157 -0.153 -11.103 -6.536 1.00 0.00 C ATOM 779 CG1 VAL A 157 -0.328 -9.627 -6.859 1.00 0.00 C ATOM 780 CG2 VAL A 157 1.253 -11.383 -6.027 1.00 0.00 C ATOM 0 H VAL A 157 -0.837 -13.581 -5.910 1.00 0.00 H new ATOM 0 HA VAL A 157 -1.086 -10.966 -4.594 1.00 0.00 H new ATOM 0 HB VAL A 157 -0.302 -11.671 -7.454 1.00 0.00 H new ATOM 0 HG11 VAL A 157 0.421 -9.323 -7.591 1.00 0.00 H new ATOM 0 HG12 VAL A 157 -1.324 -9.460 -7.268 1.00 0.00 H new ATOM 0 HG13 VAL A 157 -0.206 -9.039 -5.950 1.00 0.00 H new ATOM 0 HG21 VAL A 157 1.981 -11.056 -6.770 1.00 0.00 H new ATOM 0 HG22 VAL A 157 1.417 -10.842 -5.095 1.00 0.00 H new ATOM 0 HG23 VAL A 157 1.370 -12.452 -5.851 1.00 0.00 H new ATOM 790 N PRO A 158 -3.533 -10.924 -5.209 1.00 0.00 N ATOM 791 CA PRO A 158 -4.920 -10.664 -5.608 1.00 0.00 C ATOM 792 C PRO A 158 -5.048 -9.424 -6.486 1.00 0.00 C ATOM 793 O PRO A 158 -4.138 -8.600 -6.574 1.00 0.00 O ATOM 794 CB PRO A 158 -5.638 -10.452 -4.273 1.00 0.00 C ATOM 795 CG PRO A 158 -4.574 -9.988 -3.339 1.00 0.00 C ATOM 796 CD PRO A 158 -3.312 -10.680 -3.774 1.00 0.00 C ATOM 0 HA PRO A 158 -5.332 -11.477 -6.205 1.00 0.00 H new ATOM 0 HB2 PRO A 158 -6.434 -9.713 -4.365 1.00 0.00 H new ATOM 0 HB3 PRO A 158 -6.099 -11.375 -3.921 1.00 0.00 H new ATOM 0 HG2 PRO A 158 -4.461 -8.905 -3.384 1.00 0.00 H new ATOM 0 HG3 PRO A 158 -4.822 -10.240 -2.308 1.00 0.00 H new ATOM 0 HD2 PRO A 158 -2.433 -10.058 -3.603 1.00 0.00 H new ATOM 0 HD3 PRO A 158 -3.155 -11.610 -3.228 1.00 0.00 H new ATOM 804 N PRO A 159 -6.205 -9.286 -7.150 1.00 0.00 N ATOM 805 CA PRO A 159 -6.481 -8.148 -8.032 1.00 0.00 C ATOM 806 C PRO A 159 -6.656 -6.845 -7.260 1.00 0.00 C ATOM 807 O PRO A 159 -6.123 -5.805 -7.648 1.00 0.00 O ATOM 808 CB PRO A 159 -7.790 -8.542 -8.721 1.00 0.00 C ATOM 809 CG PRO A 159 -8.447 -9.485 -7.774 1.00 0.00 C ATOM 810 CD PRO A 159 -7.334 -10.230 -7.091 1.00 0.00 C ATOM 0 HA PRO A 159 -5.660 -7.960 -8.723 1.00 0.00 H new ATOM 0 HB2 PRO A 159 -8.416 -7.670 -8.910 1.00 0.00 H new ATOM 0 HB3 PRO A 159 -7.603 -9.015 -9.685 1.00 0.00 H new ATOM 0 HG2 PRO A 159 -9.059 -8.947 -7.049 1.00 0.00 H new ATOM 0 HG3 PRO A 159 -9.109 -10.171 -8.303 1.00 0.00 H new ATOM 0 HD2 PRO A 159 -7.592 -10.484 -6.063 1.00 0.00 H new ATOM 0 HD3 PRO A 159 -7.103 -11.165 -7.602 1.00 0.00 H new ATOM 818 N VAL A 160 -7.406 -6.908 -6.164 1.00 0.00 N ATOM 819 CA VAL A 160 -7.650 -5.733 -5.336 1.00 0.00 C ATOM 820 C VAL A 160 -6.864 -5.808 -4.031 1.00 0.00 C ATOM 821 O VAL A 160 -6.962 -6.786 -3.291 1.00 0.00 O ATOM 822 CB VAL A 160 -9.147 -5.576 -5.013 1.00 0.00 C ATOM 823 CG1 VAL A 160 -9.725 -6.888 -4.504 1.00 0.00 C ATOM 824 CG2 VAL A 160 -9.359 -4.462 -3.998 1.00 0.00 C ATOM 0 H VAL A 160 -7.855 -7.760 -5.829 1.00 0.00 H new ATOM 0 HA VAL A 160 -7.317 -4.867 -5.908 1.00 0.00 H new ATOM 0 HB VAL A 160 -9.672 -5.307 -5.930 1.00 0.00 H new ATOM 0 HG11 VAL A 160 -10.784 -6.757 -4.281 1.00 0.00 H new ATOM 0 HG12 VAL A 160 -9.607 -7.658 -5.267 1.00 0.00 H new ATOM 0 HG13 VAL A 160 -9.198 -7.191 -3.599 1.00 0.00 H new ATOM 0 HG21 VAL A 160 -10.423 -4.365 -3.781 1.00 0.00 H new ATOM 0 HG22 VAL A 160 -8.822 -4.699 -3.080 1.00 0.00 H new ATOM 0 HG23 VAL A 160 -8.984 -3.523 -4.405 1.00 0.00 H new ATOM 834 N PHE A 161 -6.086 -4.767 -3.756 1.00 0.00 N ATOM 835 CA PHE A 161 -5.282 -4.713 -2.540 1.00 0.00 C ATOM 836 C PHE A 161 -5.711 -3.546 -1.655 1.00 0.00 C ATOM 837 O PHE A 161 -6.039 -2.467 -2.149 1.00 0.00 O ATOM 838 CB PHE A 161 -3.798 -4.585 -2.889 1.00 0.00 C ATOM 839 CG PHE A 161 -2.955 -4.087 -1.751 1.00 0.00 C ATOM 840 CD1 PHE A 161 -2.441 -4.969 -0.814 1.00 0.00 C ATOM 841 CD2 PHE A 161 -2.677 -2.736 -1.617 1.00 0.00 C ATOM 842 CE1 PHE A 161 -1.665 -4.513 0.235 1.00 0.00 C ATOM 843 CE2 PHE A 161 -1.902 -2.274 -0.570 1.00 0.00 C ATOM 844 CZ PHE A 161 -1.394 -3.164 0.357 1.00 0.00 C ATOM 0 H PHE A 161 -5.995 -3.949 -4.358 1.00 0.00 H new ATOM 0 HA PHE A 161 -5.439 -5.640 -1.989 1.00 0.00 H new ATOM 0 HB2 PHE A 161 -3.423 -5.557 -3.210 1.00 0.00 H new ATOM 0 HB3 PHE A 161 -3.689 -3.906 -3.735 1.00 0.00 H new ATOM 0 HD1 PHE A 161 -2.649 -6.025 -0.904 1.00 0.00 H new ATOM 0 HD2 PHE A 161 -3.071 -2.036 -2.339 1.00 0.00 H new ATOM 0 HE1 PHE A 161 -1.271 -5.211 0.959 1.00 0.00 H new ATOM 0 HE2 PHE A 161 -1.694 -1.218 -0.476 1.00 0.00 H new ATOM 0 HZ PHE A 161 -0.787 -2.806 1.175 1.00 0.00 H new ATOM 854 N TYR A 162 -5.705 -3.771 -0.346 1.00 0.00 N ATOM 855 CA TYR A 162 -6.096 -2.740 0.608 1.00 0.00 C ATOM 856 C TYR A 162 -5.102 -2.662 1.762 1.00 0.00 C ATOM 857 O TYR A 162 -4.826 -3.660 2.429 1.00 0.00 O ATOM 858 CB TYR A 162 -7.500 -3.021 1.147 1.00 0.00 C ATOM 859 CG TYR A 162 -8.605 -2.617 0.197 1.00 0.00 C ATOM 860 CD1 TYR A 162 -8.825 -1.282 -0.116 1.00 0.00 C ATOM 861 CD2 TYR A 162 -9.430 -3.571 -0.385 1.00 0.00 C ATOM 862 CE1 TYR A 162 -9.834 -0.908 -0.983 1.00 0.00 C ATOM 863 CE2 TYR A 162 -10.441 -3.207 -1.254 1.00 0.00 C ATOM 864 CZ TYR A 162 -10.639 -1.874 -1.550 1.00 0.00 C ATOM 865 OH TYR A 162 -11.645 -1.507 -2.413 1.00 0.00 O ATOM 0 H TYR A 162 -5.434 -4.658 0.079 1.00 0.00 H new ATOM 0 HA TYR A 162 -6.099 -1.782 0.089 1.00 0.00 H new ATOM 0 HB2 TYR A 162 -7.590 -4.085 1.365 1.00 0.00 H new ATOM 0 HB3 TYR A 162 -7.631 -2.491 2.090 1.00 0.00 H new ATOM 0 HD1 TYR A 162 -8.197 -0.523 0.326 1.00 0.00 H new ATOM 0 HD2 TYR A 162 -9.279 -4.615 -0.154 1.00 0.00 H new ATOM 0 HE1 TYR A 162 -9.991 0.135 -1.215 1.00 0.00 H new ATOM 0 HE2 TYR A 162 -11.073 -3.962 -1.699 1.00 0.00 H new ATOM 0 HH TYR A 162 -11.341 -0.762 -2.972 1.00 0.00 H new ATOM 875 N CYS A 163 -4.567 -1.468 1.993 1.00 0.00 N ATOM 876 CA CYS A 163 -3.603 -1.255 3.067 1.00 0.00 C ATOM 877 C CYS A 163 -4.194 -1.657 4.415 1.00 0.00 C ATOM 878 O CYS A 163 -5.314 -2.162 4.487 1.00 0.00 O ATOM 879 CB CYS A 163 -3.166 0.210 3.105 1.00 0.00 C ATOM 880 SG CYS A 163 -4.392 1.332 3.853 1.00 0.00 S ATOM 0 H CYS A 163 -4.785 -0.632 1.451 1.00 0.00 H new ATOM 0 HA CYS A 163 -2.733 -1.881 2.871 1.00 0.00 H new ATOM 0 HB2 CYS A 163 -2.232 0.285 3.663 1.00 0.00 H new ATOM 0 HB3 CYS A 163 -2.958 0.543 2.088 1.00 0.00 H new ATOM 885 N GLU A 164 -3.432 -1.430 5.480 1.00 0.00 N ATOM 886 CA GLU A 164 -3.880 -1.769 6.826 1.00 0.00 C ATOM 887 C GLU A 164 -5.138 -0.987 7.194 1.00 0.00 C ATOM 888 O GLU A 164 -6.106 -1.551 7.705 1.00 0.00 O ATOM 889 CB GLU A 164 -2.773 -1.483 7.843 1.00 0.00 C ATOM 890 CG GLU A 164 -2.247 -0.059 7.786 1.00 0.00 C ATOM 891 CD GLU A 164 -0.999 0.135 8.625 1.00 0.00 C ATOM 892 OE1 GLU A 164 -0.888 -0.520 9.683 1.00 0.00 O ATOM 893 OE2 GLU A 164 -0.133 0.942 8.225 1.00 0.00 O ATOM 0 H GLU A 164 -2.502 -1.013 5.437 1.00 0.00 H new ATOM 0 HA GLU A 164 -4.116 -2.833 6.846 1.00 0.00 H new ATOM 0 HB2 GLU A 164 -3.152 -1.681 8.845 1.00 0.00 H new ATOM 0 HB3 GLU A 164 -1.947 -2.174 7.672 1.00 0.00 H new ATOM 0 HG2 GLU A 164 -2.029 0.203 6.751 1.00 0.00 H new ATOM 0 HG3 GLU A 164 -3.022 0.625 8.131 1.00 0.00 H new ATOM 900 N LEU A 165 -5.115 0.315 6.931 1.00 0.00 N ATOM 901 CA LEU A 165 -6.253 1.177 7.234 1.00 0.00 C ATOM 902 C LEU A 165 -7.537 0.614 6.634 1.00 0.00 C ATOM 903 O LEU A 165 -8.496 0.324 7.351 1.00 0.00 O ATOM 904 CB LEU A 165 -6.004 2.589 6.703 1.00 0.00 C ATOM 905 CG LEU A 165 -4.625 3.183 6.993 1.00 0.00 C ATOM 906 CD1 LEU A 165 -4.540 4.611 6.479 1.00 0.00 C ATOM 907 CD2 LEU A 165 -4.326 3.131 8.484 1.00 0.00 C ATOM 0 H LEU A 165 -4.321 0.797 6.509 1.00 0.00 H new ATOM 0 HA LEU A 165 -6.368 1.218 8.317 1.00 0.00 H new ATOM 0 HB2 LEU A 165 -6.154 2.581 5.623 1.00 0.00 H new ATOM 0 HB3 LEU A 165 -6.759 3.252 7.125 1.00 0.00 H new ATOM 0 HG LEU A 165 -3.876 2.587 6.472 1.00 0.00 H new ATOM 0 HD11 LEU A 165 -3.552 5.017 6.694 1.00 0.00 H new ATOM 0 HD12 LEU A 165 -4.710 4.621 5.402 1.00 0.00 H new ATOM 0 HD13 LEU A 165 -5.298 5.221 6.971 1.00 0.00 H new ATOM 0 HD21 LEU A 165 -3.341 3.558 8.673 1.00 0.00 H new ATOM 0 HD22 LEU A 165 -5.079 3.703 9.026 1.00 0.00 H new ATOM 0 HD23 LEU A 165 -4.344 2.095 8.823 1.00 0.00 H new ATOM 919 N CYS A 166 -7.550 0.460 5.314 1.00 0.00 N ATOM 920 CA CYS A 166 -8.715 -0.070 4.616 1.00 0.00 C ATOM 921 C CYS A 166 -9.002 -1.505 5.048 1.00 0.00 C ATOM 922 O CYS A 166 -10.159 -1.902 5.188 1.00 0.00 O ATOM 923 CB CYS A 166 -8.497 -0.015 3.102 1.00 0.00 C ATOM 924 SG CYS A 166 -8.154 1.655 2.460 1.00 0.00 S ATOM 0 H CYS A 166 -6.766 0.695 4.706 1.00 0.00 H new ATOM 0 HA CYS A 166 -9.575 0.547 4.875 1.00 0.00 H new ATOM 0 HB2 CYS A 166 -7.666 -0.671 2.841 1.00 0.00 H new ATOM 0 HB3 CYS A 166 -9.383 -0.409 2.604 1.00 0.00 H new ATOM 929 N ARG A 167 -7.941 -2.277 5.258 1.00 0.00 N ATOM 930 CA ARG A 167 -8.078 -3.668 5.673 1.00 0.00 C ATOM 931 C ARG A 167 -8.947 -3.779 6.923 1.00 0.00 C ATOM 932 O ARG A 167 -9.935 -4.514 6.942 1.00 0.00 O ATOM 933 CB ARG A 167 -6.702 -4.281 5.940 1.00 0.00 C ATOM 934 CG ARG A 167 -6.121 -5.016 4.743 1.00 0.00 C ATOM 935 CD ARG A 167 -5.938 -6.497 5.034 1.00 0.00 C ATOM 936 NE ARG A 167 -4.611 -6.790 5.569 1.00 0.00 N ATOM 937 CZ ARG A 167 -4.214 -8.006 5.925 1.00 0.00 C ATOM 938 NH1 ARG A 167 -5.037 -9.038 5.803 1.00 0.00 N ATOM 939 NH2 ARG A 167 -2.990 -8.193 6.404 1.00 0.00 N ATOM 0 H ARG A 167 -6.977 -1.963 5.148 1.00 0.00 H new ATOM 0 HA ARG A 167 -8.562 -4.216 4.865 1.00 0.00 H new ATOM 0 HB2 ARG A 167 -6.014 -3.491 6.240 1.00 0.00 H new ATOM 0 HB3 ARG A 167 -6.778 -4.973 6.779 1.00 0.00 H new ATOM 0 HG2 ARG A 167 -6.780 -4.892 3.884 1.00 0.00 H new ATOM 0 HG3 ARG A 167 -5.161 -4.575 4.475 1.00 0.00 H new ATOM 0 HD2 ARG A 167 -6.696 -6.823 5.746 1.00 0.00 H new ATOM 0 HD3 ARG A 167 -6.094 -7.068 4.119 1.00 0.00 H new ATOM 0 HE ARG A 167 -3.953 -6.018 5.675 1.00 0.00 H new ATOM 0 HH11 ARG A 167 -5.978 -8.899 5.435 1.00 0.00 H new ATOM 0 HH12 ARG A 167 -4.729 -9.971 6.077 1.00 0.00 H new ATOM 0 HH21 ARG A 167 -2.353 -7.402 6.499 1.00 0.00 H new ATOM 0 HH22 ARG A 167 -2.687 -9.128 6.677 1.00 0.00 H new ATOM 953 N LEU A 168 -8.572 -3.045 7.964 1.00 0.00 N ATOM 954 CA LEU A 168 -9.317 -3.061 9.219 1.00 0.00 C ATOM 955 C LEU A 168 -10.705 -2.457 9.036 1.00 0.00 C ATOM 956 O LEU A 168 -11.695 -2.985 9.543 1.00 0.00 O ATOM 957 CB LEU A 168 -8.552 -2.292 10.298 1.00 0.00 C ATOM 958 CG LEU A 168 -7.641 -3.127 11.199 1.00 0.00 C ATOM 959 CD1 LEU A 168 -6.801 -2.226 12.090 1.00 0.00 C ATOM 960 CD2 LEU A 168 -8.462 -4.095 12.038 1.00 0.00 C ATOM 0 H LEU A 168 -7.757 -2.431 7.965 1.00 0.00 H new ATOM 0 HA LEU A 168 -9.431 -4.099 9.532 1.00 0.00 H new ATOM 0 HB2 LEU A 168 -7.946 -1.528 9.811 1.00 0.00 H new ATOM 0 HB3 LEU A 168 -9.275 -1.773 10.927 1.00 0.00 H new ATOM 0 HG LEU A 168 -6.969 -3.707 10.566 1.00 0.00 H new ATOM 0 HD11 LEU A 168 -6.159 -2.838 12.724 1.00 0.00 H new ATOM 0 HD12 LEU A 168 -6.185 -1.574 11.471 1.00 0.00 H new ATOM 0 HD13 LEU A 168 -7.456 -1.619 12.715 1.00 0.00 H new ATOM 0 HD21 LEU A 168 -7.797 -4.681 12.673 1.00 0.00 H new ATOM 0 HD22 LEU A 168 -9.159 -3.535 12.662 1.00 0.00 H new ATOM 0 HD23 LEU A 168 -9.019 -4.764 11.382 1.00 0.00 H new ATOM 972 N SER A 169 -10.771 -1.347 8.306 1.00 0.00 N ATOM 973 CA SER A 169 -12.038 -0.670 8.057 1.00 0.00 C ATOM 974 C SER A 169 -12.996 -1.576 7.289 1.00 0.00 C ATOM 975 O SER A 169 -14.214 -1.410 7.357 1.00 0.00 O ATOM 976 CB SER A 169 -11.804 0.624 7.276 1.00 0.00 C ATOM 977 OG SER A 169 -12.277 1.748 7.998 1.00 0.00 O ATOM 0 H SER A 169 -9.962 -0.898 7.877 1.00 0.00 H new ATOM 0 HA SER A 169 -12.488 -0.428 9.020 1.00 0.00 H new ATOM 0 HB2 SER A 169 -10.740 0.741 7.071 1.00 0.00 H new ATOM 0 HB3 SER A 169 -12.310 0.567 6.312 1.00 0.00 H new ATOM 0 HG SER A 169 -12.114 2.563 7.478 1.00 0.00 H new ATOM 983 N ARG A 170 -12.436 -2.533 6.557 1.00 0.00 N ATOM 984 CA ARG A 170 -13.239 -3.465 5.774 1.00 0.00 C ATOM 985 C ARG A 170 -13.519 -4.739 6.565 1.00 0.00 C ATOM 986 O ARG A 170 -14.529 -5.408 6.346 1.00 0.00 O ATOM 987 CB ARG A 170 -12.526 -3.811 4.465 1.00 0.00 C ATOM 988 CG ARG A 170 -12.944 -2.936 3.294 1.00 0.00 C ATOM 989 CD ARG A 170 -12.436 -1.512 3.454 1.00 0.00 C ATOM 990 NE ARG A 170 -13.204 -0.564 2.652 1.00 0.00 N ATOM 991 CZ ARG A 170 -12.797 0.672 2.385 1.00 0.00 C ATOM 992 NH1 ARG A 170 -11.635 1.107 2.852 1.00 0.00 N ATOM 993 NH2 ARG A 170 -13.553 1.476 1.647 1.00 0.00 N ATOM 0 H ARG A 170 -11.429 -2.684 6.490 1.00 0.00 H new ATOM 0 HA ARG A 170 -14.190 -2.983 5.546 1.00 0.00 H new ATOM 0 HB2 ARG A 170 -11.450 -3.718 4.612 1.00 0.00 H new ATOM 0 HB3 ARG A 170 -12.725 -4.854 4.218 1.00 0.00 H new ATOM 0 HG2 ARG A 170 -12.558 -3.359 2.366 1.00 0.00 H new ATOM 0 HG3 ARG A 170 -14.031 -2.929 3.213 1.00 0.00 H new ATOM 0 HD2 ARG A 170 -12.488 -1.224 4.504 1.00 0.00 H new ATOM 0 HD3 ARG A 170 -11.387 -1.467 3.163 1.00 0.00 H new ATOM 0 HE ARG A 170 -14.102 -0.867 2.276 1.00 0.00 H new ATOM 0 HH11 ARG A 170 -11.050 0.492 3.418 1.00 0.00 H new ATOM 0 HH12 ARG A 170 -11.325 2.057 2.645 1.00 0.00 H new ATOM 0 HH21 ARG A 170 -14.447 1.145 1.285 1.00 0.00 H new ATOM 0 HH22 ARG A 170 -13.240 2.425 1.442 1.00 0.00 H new ATOM 1007 N ALA A 171 -12.618 -5.069 7.485 1.00 0.00 N ATOM 1008 CA ALA A 171 -12.770 -6.261 8.309 1.00 0.00 C ATOM 1009 C ALA A 171 -14.075 -6.223 9.096 1.00 0.00 C ATOM 1010 O ALA A 171 -14.591 -7.260 9.513 1.00 0.00 O ATOM 1011 CB ALA A 171 -11.585 -6.404 9.254 1.00 0.00 C ATOM 0 H ALA A 171 -11.776 -4.527 7.678 1.00 0.00 H new ATOM 0 HA ALA A 171 -12.801 -7.127 7.648 1.00 0.00 H new ATOM 0 HB1 ALA A 171 -11.712 -7.299 9.864 1.00 0.00 H new ATOM 0 HB2 ALA A 171 -10.665 -6.487 8.675 1.00 0.00 H new ATOM 0 HB3 ALA A 171 -11.528 -5.529 9.901 1.00 0.00 H new ATOM 1017 N ASP A 172 -14.604 -5.021 9.297 1.00 0.00 N ATOM 1018 CA ASP A 172 -15.850 -4.847 10.035 1.00 0.00 C ATOM 1019 C ASP A 172 -17.001 -4.524 9.088 1.00 0.00 C ATOM 1020 O ASP A 172 -18.139 -4.408 9.541 1.00 0.00 O ATOM 1021 CB ASP A 172 -15.701 -3.735 11.075 1.00 0.00 C ATOM 1022 CG ASP A 172 -16.479 -4.022 12.344 1.00 0.00 C ATOM 1023 OD1 ASP A 172 -16.566 -5.206 12.733 1.00 0.00 O ATOM 1024 OD2 ASP A 172 -17.001 -3.062 12.948 1.00 0.00 O ATOM 0 H ASP A 172 -14.189 -4.152 8.959 1.00 0.00 H new ATOM 0 HA ASP A 172 -16.075 -5.783 10.546 1.00 0.00 H new ATOM 0 HB2 ASP A 172 -14.646 -3.609 11.319 1.00 0.00 H new ATOM 0 HB3 ASP A 172 -16.044 -2.793 10.647 1.00 0.00 H new TER 1029 ASP A 172 HETATM 1030 ZN ZN A 901 7.903 -2.939 2.471 1.00 0.00 ZN HETATM 1031 ZN ZN A 902 -5.819 1.922 1.935 1.00 0.00 ZN