USER MOD reduce.3.24.130724 H: found=0, std=0, add=498, rem=0, adj=13 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 :FLIP amide:sc= -0.0648 F(o=-2.2,f=-0.73) USER MOD Set 1.2: A 137 GLN : amide:sc= -0.662 K(o=-0.73,f=-4.3!) USER MOD Set 2.1: A 121 SER OG : rot 170:sc= -0.561 USER MOD Set 2.2: A 123 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 55:sc= 0.828 USER MOD Single : A 110 GLN :FLIP amide:sc= -0.142 F(o=-0.92,f=-0.14) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 SER OG : rot -60:sc= 0.955 USER MOD Single : A 122 THR OG1 : rot 180:sc= 0 USER MOD Single : A 125 ASN : amide:sc= -5.47! C(o=-5.5!,f=-8.3!) USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 128 MET CE :methyl 156:sc= -0.523 (180deg=-2.1!) USER MOD Single : A 134 GLN : amide:sc= 0.523 K(o=0.52,f=-0.0056) USER MOD Single : A 140 GLN : amide:sc= -0.995 K(o=-1,f=-4.2!) USER MOD Single : A 143 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 150 LYS NZ :NH3+ -162:sc= -0.0116 (180deg=-0.169) USER MOD Single : A 154 SER OG : rot 180:sc= 0 USER MOD Single : A 162 TYR OH : rot 180:sc= 0 USER MOD Single : A 169 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 105 2.617 17.030 0.983 1.00 0.00 N ATOM 2 CA GLY A 105 2.665 17.351 -0.431 1.00 0.00 C ATOM 3 C GLY A 105 3.796 18.301 -0.772 1.00 0.00 C ATOM 4 O GLY A 105 3.566 19.389 -1.299 1.00 0.00 O ATOM 0 HA2 GLY A 105 2.781 16.432 -1.005 1.00 0.00 H new ATOM 0 HA3 GLY A 105 1.717 17.797 -0.732 1.00 0.00 H new ATOM 8 N SER A 106 5.023 17.890 -0.468 1.00 0.00 N ATOM 9 CA SER A 106 6.195 18.714 -0.740 1.00 0.00 C ATOM 10 C SER A 106 7.480 17.942 -0.454 1.00 0.00 C ATOM 11 O SER A 106 8.440 18.007 -1.222 1.00 0.00 O ATOM 12 CB SER A 106 6.154 19.990 0.104 1.00 0.00 C ATOM 13 OG SER A 106 6.923 21.020 -0.493 1.00 0.00 O ATOM 0 H SER A 106 5.231 16.991 -0.033 1.00 0.00 H new ATOM 0 HA SER A 106 6.182 18.985 -1.796 1.00 0.00 H new ATOM 0 HB2 SER A 106 5.122 20.322 0.218 1.00 0.00 H new ATOM 0 HB3 SER A 106 6.534 19.781 1.104 1.00 0.00 H new ATOM 0 HG SER A 106 6.880 21.825 0.064 1.00 0.00 H new ATOM 19 N ASP A 107 7.490 17.213 0.656 1.00 0.00 N ATOM 20 CA ASP A 107 8.656 16.428 1.045 1.00 0.00 C ATOM 21 C ASP A 107 8.813 15.207 0.144 1.00 0.00 C ATOM 22 O ASP A 107 9.872 14.991 -0.446 1.00 0.00 O ATOM 23 CB ASP A 107 8.538 15.988 2.505 1.00 0.00 C ATOM 24 CG ASP A 107 9.570 16.651 3.395 1.00 0.00 C ATOM 25 OD1 ASP A 107 9.634 17.899 3.402 1.00 0.00 O ATOM 26 OD2 ASP A 107 10.313 15.923 4.085 1.00 0.00 O ATOM 0 H ASP A 107 6.704 17.149 1.303 1.00 0.00 H new ATOM 0 HA ASP A 107 9.540 17.056 0.934 1.00 0.00 H new ATOM 0 HB2 ASP A 107 7.540 16.224 2.873 1.00 0.00 H new ATOM 0 HB3 ASP A 107 8.652 14.906 2.566 1.00 0.00 H new ATOM 31 N SER A 108 7.753 14.411 0.043 1.00 0.00 N ATOM 32 CA SER A 108 7.775 13.209 -0.782 1.00 0.00 C ATOM 33 C SER A 108 6.421 12.508 -0.756 1.00 0.00 C ATOM 34 O SER A 108 5.983 11.940 -1.758 1.00 0.00 O ATOM 35 CB SER A 108 8.867 12.253 -0.299 1.00 0.00 C ATOM 36 OG SER A 108 10.026 12.351 -1.108 1.00 0.00 O ATOM 0 H SER A 108 6.868 14.577 0.522 1.00 0.00 H new ATOM 0 HA SER A 108 7.991 13.506 -1.808 1.00 0.00 H new ATOM 0 HB2 SER A 108 9.122 12.481 0.736 1.00 0.00 H new ATOM 0 HB3 SER A 108 8.493 11.229 -0.317 1.00 0.00 H new ATOM 0 HG SER A 108 10.330 13.282 -1.133 1.00 0.00 H new ATOM 42 N PHE A 109 5.761 12.551 0.397 1.00 0.00 N ATOM 43 CA PHE A 109 4.457 11.919 0.555 1.00 0.00 C ATOM 44 C PHE A 109 3.400 12.635 -0.280 1.00 0.00 C ATOM 45 O PHE A 109 2.782 13.597 0.175 1.00 0.00 O ATOM 46 CB PHE A 109 4.043 11.917 2.028 1.00 0.00 C ATOM 47 CG PHE A 109 5.109 11.397 2.950 1.00 0.00 C ATOM 48 CD1 PHE A 109 5.465 10.058 2.933 1.00 0.00 C ATOM 49 CD2 PHE A 109 5.755 12.247 3.833 1.00 0.00 C ATOM 50 CE1 PHE A 109 6.446 9.576 3.780 1.00 0.00 C ATOM 51 CE2 PHE A 109 6.737 11.771 4.681 1.00 0.00 C ATOM 52 CZ PHE A 109 7.082 10.433 4.655 1.00 0.00 C ATOM 0 H PHE A 109 6.108 13.017 1.235 1.00 0.00 H new ATOM 0 HA PHE A 109 4.536 10.890 0.205 1.00 0.00 H new ATOM 0 HB2 PHE A 109 3.781 12.933 2.325 1.00 0.00 H new ATOM 0 HB3 PHE A 109 3.146 11.309 2.144 1.00 0.00 H new ATOM 0 HD1 PHE A 109 4.971 9.383 2.250 1.00 0.00 H new ATOM 0 HD2 PHE A 109 5.488 13.293 3.859 1.00 0.00 H new ATOM 0 HE1 PHE A 109 6.714 8.530 3.757 1.00 0.00 H new ATOM 0 HE2 PHE A 109 7.234 12.444 5.364 1.00 0.00 H new ATOM 0 HZ PHE A 109 7.848 10.059 5.318 1.00 0.00 H new ATOM 62 N GLN A 110 3.200 12.159 -1.505 1.00 0.00 N ATOM 63 CA GLN A 110 2.220 12.754 -2.405 1.00 0.00 C ATOM 64 C GLN A 110 0.801 12.380 -1.989 1.00 0.00 C ATOM 65 O GLN A 110 0.564 11.347 -1.361 1.00 0.00 O ATOM 66 CB GLN A 110 2.478 12.305 -3.844 1.00 0.00 C ATOM 67 CG GLN A 110 3.858 12.678 -4.360 1.00 0.00 C ATOM 68 CD GLN A 110 3.995 14.161 -4.641 1.00 0.00 C ATOM 69 OE1 GLN A 110 4.108 14.957 -3.584 1.00 0.00 O flip ATOM 70 NE2 GLN A 110 4.000 14.587 -5.796 1.00 0.00 N flip ATOM 0 H GLN A 110 3.704 11.363 -1.896 1.00 0.00 H new ATOM 0 HA GLN A 110 2.322 13.838 -2.347 1.00 0.00 H new ATOM 0 HB2 GLN A 110 2.356 11.224 -3.906 1.00 0.00 H new ATOM 0 HB3 GLN A 110 1.724 12.748 -4.495 1.00 0.00 H new ATOM 0 HG2 GLN A 110 4.608 12.380 -3.628 1.00 0.00 H new ATOM 0 HG3 GLN A 110 4.064 12.119 -5.273 1.00 0.00 H new ATOM 0 HE21 GLN A 110 3.911 13.939 -6.579 1.00 0.00 H new ATOM 0 HE22 GLN A 110 4.094 15.588 -5.970 1.00 0.00 H new ATOM 79 N PRO A 111 -0.167 13.237 -2.347 1.00 0.00 N ATOM 80 CA PRO A 111 -1.579 13.016 -2.021 1.00 0.00 C ATOM 81 C PRO A 111 -2.181 11.856 -2.807 1.00 0.00 C ATOM 82 O PRO A 111 -3.204 11.295 -2.415 1.00 0.00 O ATOM 83 CB PRO A 111 -2.245 14.335 -2.421 1.00 0.00 C ATOM 84 CG PRO A 111 -1.352 14.909 -3.466 1.00 0.00 C ATOM 85 CD PRO A 111 0.043 14.486 -3.097 1.00 0.00 C ATOM 0 HA PRO A 111 -1.719 12.752 -0.973 1.00 0.00 H new ATOM 0 HB2 PRO A 111 -3.251 14.169 -2.807 1.00 0.00 H new ATOM 0 HB3 PRO A 111 -2.338 15.006 -1.567 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -1.622 14.541 -4.456 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -1.435 15.995 -3.496 1.00 0.00 H new ATOM 0 HD2 PRO A 111 0.661 14.325 -3.980 1.00 0.00 H new ATOM 0 HD3 PRO A 111 0.544 15.240 -2.490 1.00 0.00 H new ATOM 93 N GLU A 112 -1.540 11.503 -3.916 1.00 0.00 N ATOM 94 CA GLU A 112 -2.013 10.409 -4.756 1.00 0.00 C ATOM 95 C GLU A 112 -0.994 9.274 -4.799 1.00 0.00 C ATOM 96 O GLU A 112 -1.338 8.126 -5.077 1.00 0.00 O ATOM 97 CB GLU A 112 -2.294 10.910 -6.174 1.00 0.00 C ATOM 98 CG GLU A 112 -3.713 11.416 -6.371 1.00 0.00 C ATOM 99 CD GLU A 112 -3.781 12.925 -6.505 1.00 0.00 C ATOM 100 OE1 GLU A 112 -3.040 13.480 -7.343 1.00 0.00 O ATOM 101 OE2 GLU A 112 -4.575 13.552 -5.772 1.00 0.00 O ATOM 0 H GLU A 112 -0.692 11.958 -4.254 1.00 0.00 H new ATOM 0 HA GLU A 112 -2.937 10.027 -4.323 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -1.595 11.712 -6.412 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -2.104 10.102 -6.880 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -4.138 10.956 -7.263 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -4.327 11.102 -5.527 1.00 0.00 H new ATOM 108 N ALA A 113 0.263 9.606 -4.521 1.00 0.00 N ATOM 109 CA ALA A 113 1.333 8.616 -4.526 1.00 0.00 C ATOM 110 C ALA A 113 2.099 8.629 -3.208 1.00 0.00 C ATOM 111 O ALA A 113 3.170 9.228 -3.106 1.00 0.00 O ATOM 112 CB ALA A 113 2.279 8.866 -5.691 1.00 0.00 C ATOM 0 H ALA A 113 0.565 10.552 -4.290 1.00 0.00 H new ATOM 0 HA ALA A 113 0.882 7.631 -4.644 1.00 0.00 H new ATOM 0 HB1 ALA A 113 3.073 8.119 -5.682 1.00 0.00 H new ATOM 0 HB2 ALA A 113 1.727 8.798 -6.629 1.00 0.00 H new ATOM 0 HB3 ALA A 113 2.715 9.860 -5.598 1.00 0.00 H new ATOM 118 N LYS A 114 1.544 7.966 -2.199 1.00 0.00 N ATOM 119 CA LYS A 114 2.175 7.900 -0.886 1.00 0.00 C ATOM 120 C LYS A 114 2.542 6.463 -0.530 1.00 0.00 C ATOM 121 O LYS A 114 1.669 5.641 -0.249 1.00 0.00 O ATOM 122 CB LYS A 114 1.243 8.480 0.180 1.00 0.00 C ATOM 123 CG LYS A 114 1.723 8.243 1.601 1.00 0.00 C ATOM 124 CD LYS A 114 1.000 9.141 2.591 1.00 0.00 C ATOM 125 CE LYS A 114 -0.233 8.459 3.165 1.00 0.00 C ATOM 126 NZ LYS A 114 -1.111 9.420 3.889 1.00 0.00 N ATOM 0 H LYS A 114 0.657 7.466 -2.266 1.00 0.00 H new ATOM 0 HA LYS A 114 3.090 8.491 -0.920 1.00 0.00 H new ATOM 0 HB2 LYS A 114 1.138 9.552 0.015 1.00 0.00 H new ATOM 0 HB3 LYS A 114 0.252 8.041 0.062 1.00 0.00 H new ATOM 0 HG2 LYS A 114 1.563 7.199 1.871 1.00 0.00 H new ATOM 0 HG3 LYS A 114 2.796 8.426 1.659 1.00 0.00 H new ATOM 0 HD2 LYS A 114 1.678 9.411 3.401 1.00 0.00 H new ATOM 0 HD3 LYS A 114 0.708 10.068 2.097 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -0.796 7.988 2.359 1.00 0.00 H new ATOM 0 HE3 LYS A 114 0.075 7.665 3.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -1.940 8.917 4.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -0.582 9.851 4.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -1.425 10.164 3.234 1.00 0.00 H new ATOM 140 N VAL A 115 3.837 6.167 -0.542 1.00 0.00 N ATOM 141 CA VAL A 115 4.319 4.830 -0.217 1.00 0.00 C ATOM 142 C VAL A 115 4.417 4.632 1.292 1.00 0.00 C ATOM 143 O VAL A 115 5.309 5.177 1.943 1.00 0.00 O ATOM 144 CB VAL A 115 5.698 4.561 -0.849 1.00 0.00 C ATOM 145 CG1 VAL A 115 6.075 3.095 -0.703 1.00 0.00 C ATOM 146 CG2 VAL A 115 5.702 4.978 -2.312 1.00 0.00 C ATOM 0 H VAL A 115 4.572 6.835 -0.773 1.00 0.00 H new ATOM 0 HA VAL A 115 3.596 4.125 -0.627 1.00 0.00 H new ATOM 0 HB VAL A 115 6.443 5.157 -0.322 1.00 0.00 H new ATOM 0 HG11 VAL A 115 7.052 2.924 -1.155 1.00 0.00 H new ATOM 0 HG12 VAL A 115 6.114 2.833 0.354 1.00 0.00 H new ATOM 0 HG13 VAL A 115 5.330 2.476 -1.203 1.00 0.00 H new ATOM 0 HG21 VAL A 115 6.683 4.781 -2.744 1.00 0.00 H new ATOM 0 HG22 VAL A 115 4.946 4.410 -2.854 1.00 0.00 H new ATOM 0 HG23 VAL A 115 5.479 6.042 -2.388 1.00 0.00 H new ATOM 156 N ARG A 116 3.495 3.849 1.841 1.00 0.00 N ATOM 157 CA ARG A 116 3.476 3.580 3.274 1.00 0.00 C ATOM 158 C ARG A 116 3.478 2.078 3.545 1.00 0.00 C ATOM 159 O ARG A 116 2.423 1.448 3.617 1.00 0.00 O ATOM 160 CB ARG A 116 2.248 4.224 3.920 1.00 0.00 C ATOM 161 CG ARG A 116 2.540 5.559 4.585 1.00 0.00 C ATOM 162 CD ARG A 116 2.662 5.415 6.094 1.00 0.00 C ATOM 163 NE ARG A 116 2.629 6.709 6.771 1.00 0.00 N ATOM 164 CZ ARG A 116 3.631 7.579 6.743 1.00 0.00 C ATOM 165 NH1 ARG A 116 4.740 7.297 6.073 1.00 0.00 N ATOM 166 NH2 ARG A 116 3.526 8.736 7.384 1.00 0.00 N ATOM 0 H ARG A 116 2.751 3.390 1.316 1.00 0.00 H new ATOM 0 HA ARG A 116 4.376 4.012 3.711 1.00 0.00 H new ATOM 0 HB2 ARG A 116 1.480 4.367 3.159 1.00 0.00 H new ATOM 0 HB3 ARG A 116 1.838 3.540 4.663 1.00 0.00 H new ATOM 0 HG2 ARG A 116 3.464 5.973 4.182 1.00 0.00 H new ATOM 0 HG3 ARG A 116 1.745 6.266 4.349 1.00 0.00 H new ATOM 0 HD2 ARG A 116 1.850 4.790 6.466 1.00 0.00 H new ATOM 0 HD3 ARG A 116 3.594 4.903 6.335 1.00 0.00 H new ATOM 0 HE ARG A 116 1.789 6.958 7.294 1.00 0.00 H new ATOM 0 HH11 ARG A 116 4.825 6.410 5.577 1.00 0.00 H new ATOM 0 HH12 ARG A 116 5.508 7.968 6.053 1.00 0.00 H new ATOM 0 HH21 ARG A 116 2.674 8.958 7.899 1.00 0.00 H new ATOM 0 HH22 ARG A 116 4.297 9.403 7.361 1.00 0.00 H new ATOM 180 N CYS A 117 4.671 1.510 3.694 1.00 0.00 N ATOM 181 CA CYS A 117 4.811 0.083 3.956 1.00 0.00 C ATOM 182 C CYS A 117 5.271 -0.164 5.390 1.00 0.00 C ATOM 183 O CYS A 117 5.852 0.715 6.026 1.00 0.00 O ATOM 184 CB CYS A 117 5.806 -0.541 2.975 1.00 0.00 C ATOM 185 SG CYS A 117 5.729 -2.359 2.894 1.00 0.00 S ATOM 0 H CYS A 117 5.554 2.017 3.638 1.00 0.00 H new ATOM 0 HA CYS A 117 3.835 -0.384 3.820 1.00 0.00 H new ATOM 0 HB2 CYS A 117 5.622 -0.136 1.980 1.00 0.00 H new ATOM 0 HB3 CYS A 117 6.815 -0.243 3.259 1.00 0.00 H new ATOM 190 N ILE A 118 5.006 -1.366 5.891 1.00 0.00 N ATOM 191 CA ILE A 118 5.393 -1.729 7.249 1.00 0.00 C ATOM 192 C ILE A 118 6.901 -1.610 7.440 1.00 0.00 C ATOM 193 O ILE A 118 7.386 -1.463 8.563 1.00 0.00 O ATOM 194 CB ILE A 118 4.955 -3.164 7.594 1.00 0.00 C ATOM 195 CG1 ILE A 118 5.642 -4.168 6.667 1.00 0.00 C ATOM 196 CG2 ILE A 118 3.442 -3.294 7.496 1.00 0.00 C ATOM 197 CD1 ILE A 118 5.308 -5.609 6.982 1.00 0.00 C ATOM 0 H ILE A 118 4.525 -2.105 5.377 1.00 0.00 H new ATOM 0 HA ILE A 118 4.888 -1.033 7.919 1.00 0.00 H new ATOM 0 HB ILE A 118 5.254 -3.382 8.619 1.00 0.00 H new ATOM 0 HG12 ILE A 118 5.356 -3.954 5.637 1.00 0.00 H new ATOM 0 HG13 ILE A 118 6.721 -4.031 6.733 1.00 0.00 H new ATOM 0 HG21 ILE A 118 3.148 -4.314 7.743 1.00 0.00 H new ATOM 0 HG22 ILE A 118 2.971 -2.602 8.194 1.00 0.00 H new ATOM 0 HG23 ILE A 118 3.122 -3.059 6.481 1.00 0.00 H new ATOM 0 HD11 ILE A 118 5.830 -6.264 6.285 1.00 0.00 H new ATOM 0 HD12 ILE A 118 5.620 -5.840 8.001 1.00 0.00 H new ATOM 0 HD13 ILE A 118 4.233 -5.762 6.888 1.00 0.00 H new ATOM 209 N CYS A 119 7.639 -1.672 6.337 1.00 0.00 N ATOM 210 CA CYS A 119 9.093 -1.570 6.382 1.00 0.00 C ATOM 211 C CYS A 119 9.535 -0.110 6.414 1.00 0.00 C ATOM 212 O CYS A 119 10.726 0.187 6.510 1.00 0.00 O ATOM 213 CB CYS A 119 9.712 -2.275 5.173 1.00 0.00 C ATOM 214 SG CYS A 119 9.259 -1.538 3.570 1.00 0.00 S ATOM 0 H CYS A 119 7.254 -1.792 5.400 1.00 0.00 H new ATOM 0 HA CYS A 119 9.438 -2.056 7.294 1.00 0.00 H new ATOM 0 HB2 CYS A 119 10.797 -2.260 5.274 1.00 0.00 H new ATOM 0 HB3 CYS A 119 9.405 -3.321 5.180 1.00 0.00 H new ATOM 219 N SER A 120 8.567 0.798 6.333 1.00 0.00 N ATOM 220 CA SER A 120 8.856 2.227 6.349 1.00 0.00 C ATOM 221 C SER A 120 9.885 2.585 5.281 1.00 0.00 C ATOM 222 O SER A 120 10.753 3.430 5.498 1.00 0.00 O ATOM 223 CB SER A 120 9.367 2.650 7.728 1.00 0.00 C ATOM 224 OG SER A 120 10.753 2.385 7.861 1.00 0.00 O ATOM 0 H SER A 120 7.576 0.569 6.256 1.00 0.00 H new ATOM 0 HA SER A 120 7.932 2.762 6.132 1.00 0.00 H new ATOM 0 HB2 SER A 120 9.181 3.713 7.878 1.00 0.00 H new ATOM 0 HB3 SER A 120 8.816 2.117 8.503 1.00 0.00 H new ATOM 0 HG SER A 120 10.914 1.424 7.756 1.00 0.00 H new ATOM 230 N SER A 121 9.780 1.936 4.126 1.00 0.00 N ATOM 231 CA SER A 121 10.702 2.183 3.024 1.00 0.00 C ATOM 232 C SER A 121 9.942 2.503 1.740 1.00 0.00 C ATOM 233 O SER A 121 9.216 1.663 1.208 1.00 0.00 O ATOM 234 CB SER A 121 11.605 0.967 2.805 1.00 0.00 C ATOM 235 OG SER A 121 12.891 1.361 2.357 1.00 0.00 O ATOM 0 H SER A 121 9.066 1.235 3.929 1.00 0.00 H new ATOM 0 HA SER A 121 11.318 3.043 3.285 1.00 0.00 H new ATOM 0 HB2 SER A 121 11.697 0.406 3.735 1.00 0.00 H new ATOM 0 HB3 SER A 121 11.150 0.299 2.073 1.00 0.00 H new ATOM 0 HG SER A 121 13.495 0.590 2.379 1.00 0.00 H new ATOM 241 N THR A 122 10.115 3.726 1.248 1.00 0.00 N ATOM 242 CA THR A 122 9.446 4.160 0.028 1.00 0.00 C ATOM 243 C THR A 122 10.338 3.957 -1.191 1.00 0.00 C ATOM 244 O THR A 122 10.271 4.719 -2.155 1.00 0.00 O ATOM 245 CB THR A 122 9.036 5.643 0.109 1.00 0.00 C ATOM 246 OG1 THR A 122 10.197 6.477 0.030 1.00 0.00 O ATOM 247 CG2 THR A 122 8.287 5.927 1.402 1.00 0.00 C ATOM 0 H THR A 122 10.713 4.433 1.676 1.00 0.00 H new ATOM 0 HA THR A 122 8.550 3.548 -0.075 1.00 0.00 H new ATOM 0 HB THR A 122 8.375 5.861 -0.730 1.00 0.00 H new ATOM 0 HG1 THR A 122 9.928 7.418 0.080 1.00 0.00 H new ATOM 0 HG21 THR A 122 8.008 6.980 1.437 1.00 0.00 H new ATOM 0 HG22 THR A 122 7.388 5.312 1.445 1.00 0.00 H new ATOM 0 HG23 THR A 122 8.927 5.693 2.252 1.00 0.00 H new ATOM 255 N MET A 123 11.174 2.924 -1.142 1.00 0.00 N ATOM 256 CA MET A 123 12.079 2.621 -2.244 1.00 0.00 C ATOM 257 C MET A 123 11.383 1.765 -3.298 1.00 0.00 C ATOM 258 O MET A 123 10.214 1.410 -3.151 1.00 0.00 O ATOM 259 CB MET A 123 13.324 1.899 -1.725 1.00 0.00 C ATOM 260 CG MET A 123 13.010 0.696 -0.851 1.00 0.00 C ATOM 261 SD MET A 123 13.702 -0.836 -1.503 1.00 0.00 S ATOM 262 CE MET A 123 13.970 -1.756 0.010 1.00 0.00 C ATOM 0 H MET A 123 11.243 2.284 -0.351 1.00 0.00 H new ATOM 0 HA MET A 123 12.379 3.562 -2.705 1.00 0.00 H new ATOM 0 HB2 MET A 123 13.925 1.574 -2.574 1.00 0.00 H new ATOM 0 HB3 MET A 123 13.931 2.603 -1.155 1.00 0.00 H new ATOM 0 HG2 MET A 123 13.401 0.869 0.152 1.00 0.00 H new ATOM 0 HG3 MET A 123 11.929 0.591 -0.758 1.00 0.00 H new ATOM 0 HE1 MET A 123 14.396 -2.731 -0.227 1.00 0.00 H new ATOM 0 HE2 MET A 123 14.657 -1.206 0.653 1.00 0.00 H new ATOM 0 HE3 MET A 123 13.020 -1.892 0.526 1.00 0.00 H new ATOM 272 N VAL A 124 12.110 1.437 -4.362 1.00 0.00 N ATOM 273 CA VAL A 124 11.563 0.622 -5.440 1.00 0.00 C ATOM 274 C VAL A 124 11.830 -0.859 -5.199 1.00 0.00 C ATOM 275 O VAL A 124 12.728 -1.444 -5.803 1.00 0.00 O ATOM 276 CB VAL A 124 12.156 1.025 -6.803 1.00 0.00 C ATOM 277 CG1 VAL A 124 11.409 0.336 -7.935 1.00 0.00 C ATOM 278 CG2 VAL A 124 12.123 2.536 -6.974 1.00 0.00 C ATOM 0 H VAL A 124 13.079 1.723 -4.500 1.00 0.00 H new ATOM 0 HA VAL A 124 10.487 0.796 -5.454 1.00 0.00 H new ATOM 0 HB VAL A 124 13.196 0.702 -6.836 1.00 0.00 H new ATOM 0 HG11 VAL A 124 11.842 0.633 -8.890 1.00 0.00 H new ATOM 0 HG12 VAL A 124 11.490 -0.745 -7.820 1.00 0.00 H new ATOM 0 HG13 VAL A 124 10.359 0.626 -7.907 1.00 0.00 H new ATOM 0 HG21 VAL A 124 12.546 2.802 -7.943 1.00 0.00 H new ATOM 0 HG22 VAL A 124 11.092 2.886 -6.920 1.00 0.00 H new ATOM 0 HG23 VAL A 124 12.707 3.005 -6.182 1.00 0.00 H new ATOM 288 N ASN A 125 11.043 -1.460 -4.313 1.00 0.00 N ATOM 289 CA ASN A 125 11.194 -2.875 -3.992 1.00 0.00 C ATOM 290 C ASN A 125 10.995 -3.739 -5.233 1.00 0.00 C ATOM 291 O ASN A 125 10.930 -3.230 -6.352 1.00 0.00 O ATOM 292 CB ASN A 125 10.195 -3.282 -2.907 1.00 0.00 C ATOM 293 CG ASN A 125 8.815 -3.565 -3.468 1.00 0.00 C ATOM 294 OD1 ASN A 125 8.172 -2.683 -4.038 1.00 0.00 O ATOM 295 ND2 ASN A 125 8.354 -4.800 -3.310 1.00 0.00 N ATOM 0 H ASN A 125 10.294 -0.990 -3.804 1.00 0.00 H new ATOM 0 HA ASN A 125 12.207 -3.032 -3.621 1.00 0.00 H new ATOM 0 HB2 ASN A 125 10.564 -4.169 -2.392 1.00 0.00 H new ATOM 0 HB3 ASN A 125 10.126 -2.487 -2.164 1.00 0.00 H new ATOM 0 HD21 ASN A 125 7.432 -5.050 -3.668 1.00 0.00 H new ATOM 0 HD22 ASN A 125 8.922 -5.499 -2.831 1.00 0.00 H new ATOM 302 N ASP A 126 10.897 -5.047 -5.027 1.00 0.00 N ATOM 303 CA ASP A 126 10.703 -5.983 -6.128 1.00 0.00 C ATOM 304 C ASP A 126 9.467 -5.614 -6.943 1.00 0.00 C ATOM 305 O ASP A 126 9.468 -5.711 -8.170 1.00 0.00 O ATOM 306 CB ASP A 126 10.570 -7.411 -5.596 1.00 0.00 C ATOM 307 CG ASP A 126 11.900 -8.137 -5.551 1.00 0.00 C ATOM 308 OD1 ASP A 126 12.601 -8.030 -4.523 1.00 0.00 O ATOM 309 OD2 ASP A 126 12.239 -8.814 -6.544 1.00 0.00 O ATOM 0 H ASP A 126 10.949 -5.484 -4.107 1.00 0.00 H new ATOM 0 HA ASP A 126 11.576 -5.926 -6.778 1.00 0.00 H new ATOM 0 HB2 ASP A 126 10.140 -7.384 -4.595 1.00 0.00 H new ATOM 0 HB3 ASP A 126 9.876 -7.968 -6.226 1.00 0.00 H new ATOM 314 N SER A 127 8.413 -5.191 -6.252 1.00 0.00 N ATOM 315 CA SER A 127 7.169 -4.812 -6.911 1.00 0.00 C ATOM 316 C SER A 127 6.270 -4.024 -5.963 1.00 0.00 C ATOM 317 O SER A 127 5.968 -4.475 -4.859 1.00 0.00 O ATOM 318 CB SER A 127 6.433 -6.056 -7.413 1.00 0.00 C ATOM 319 OG SER A 127 5.716 -5.780 -8.603 1.00 0.00 O ATOM 0 H SER A 127 8.396 -5.102 -5.236 1.00 0.00 H new ATOM 0 HA SER A 127 7.417 -4.177 -7.762 1.00 0.00 H new ATOM 0 HB2 SER A 127 7.149 -6.857 -7.594 1.00 0.00 H new ATOM 0 HB3 SER A 127 5.746 -6.410 -6.645 1.00 0.00 H new ATOM 0 HG SER A 127 5.256 -6.592 -8.904 1.00 0.00 H new ATOM 325 N MET A 128 5.847 -2.843 -6.403 1.00 0.00 N ATOM 326 CA MET A 128 4.982 -1.992 -5.595 1.00 0.00 C ATOM 327 C MET A 128 3.540 -2.059 -6.087 1.00 0.00 C ATOM 328 O MET A 128 3.280 -2.460 -7.222 1.00 0.00 O ATOM 329 CB MET A 128 5.478 -0.545 -5.630 1.00 0.00 C ATOM 330 CG MET A 128 6.966 -0.406 -5.350 1.00 0.00 C ATOM 331 SD MET A 128 7.580 1.259 -5.671 1.00 0.00 S ATOM 332 CE MET A 128 7.503 1.970 -4.029 1.00 0.00 C ATOM 0 H MET A 128 6.089 -2.454 -7.314 1.00 0.00 H new ATOM 0 HA MET A 128 5.014 -2.355 -4.568 1.00 0.00 H new ATOM 0 HB2 MET A 128 5.259 -0.118 -6.609 1.00 0.00 H new ATOM 0 HB3 MET A 128 4.922 0.039 -4.896 1.00 0.00 H new ATOM 0 HG2 MET A 128 7.162 -0.667 -4.310 1.00 0.00 H new ATOM 0 HG3 MET A 128 7.516 -1.117 -5.967 1.00 0.00 H new ATOM 0 HE1 MET A 128 8.211 2.796 -3.957 1.00 0.00 H new ATOM 0 HE2 MET A 128 6.495 2.338 -3.839 1.00 0.00 H new ATOM 0 HE3 MET A 128 7.756 1.209 -3.291 1.00 0.00 H new ATOM 342 N ILE A 129 2.607 -1.665 -5.227 1.00 0.00 N ATOM 343 CA ILE A 129 1.192 -1.681 -5.575 1.00 0.00 C ATOM 344 C ILE A 129 0.431 -0.587 -4.833 1.00 0.00 C ATOM 345 O ILE A 129 0.668 -0.347 -3.649 1.00 0.00 O ATOM 346 CB ILE A 129 0.549 -3.044 -5.258 1.00 0.00 C ATOM 347 CG1 ILE A 129 -0.953 -3.004 -5.551 1.00 0.00 C ATOM 348 CG2 ILE A 129 0.801 -3.424 -3.807 1.00 0.00 C ATOM 349 CD1 ILE A 129 -1.638 -4.341 -5.375 1.00 0.00 C ATOM 0 H ILE A 129 2.806 -1.331 -4.284 1.00 0.00 H new ATOM 0 HA ILE A 129 1.129 -1.500 -6.648 1.00 0.00 H new ATOM 0 HB ILE A 129 1.005 -3.801 -5.896 1.00 0.00 H new ATOM 0 HG12 ILE A 129 -1.424 -2.274 -4.893 1.00 0.00 H new ATOM 0 HG13 ILE A 129 -1.107 -2.658 -6.573 1.00 0.00 H new ATOM 0 HG21 ILE A 129 0.340 -4.390 -3.598 1.00 0.00 H new ATOM 0 HG22 ILE A 129 1.874 -3.488 -3.629 1.00 0.00 H new ATOM 0 HG23 ILE A 129 0.369 -2.667 -3.152 1.00 0.00 H new ATOM 0 HD11 ILE A 129 -2.700 -4.238 -5.599 1.00 0.00 H new ATOM 0 HD12 ILE A 129 -1.193 -5.070 -6.053 1.00 0.00 H new ATOM 0 HD13 ILE A 129 -1.516 -4.680 -4.346 1.00 0.00 H new ATOM 361 N GLN A 130 -0.485 0.071 -5.536 1.00 0.00 N ATOM 362 CA GLN A 130 -1.282 1.138 -4.943 1.00 0.00 C ATOM 363 C GLN A 130 -2.584 0.590 -4.368 1.00 0.00 C ATOM 364 O GLN A 130 -3.166 -0.351 -4.908 1.00 0.00 O ATOM 365 CB GLN A 130 -1.585 2.216 -5.985 1.00 0.00 C ATOM 366 CG GLN A 130 -2.606 3.241 -5.520 1.00 0.00 C ATOM 367 CD GLN A 130 -2.480 4.564 -6.250 1.00 0.00 C ATOM 368 OE1 GLN A 130 -2.461 5.657 -5.497 1.00 0.00 O flip ATOM 369 NE2 GLN A 130 -2.401 4.603 -7.478 1.00 0.00 N flip ATOM 0 H GLN A 130 -0.694 -0.116 -6.517 1.00 0.00 H new ATOM 0 HA GLN A 130 -0.705 1.580 -4.131 1.00 0.00 H new ATOM 0 HB2 GLN A 130 -0.659 2.729 -6.244 1.00 0.00 H new ATOM 0 HB3 GLN A 130 -1.950 1.738 -6.894 1.00 0.00 H new ATOM 0 HG2 GLN A 130 -3.609 2.842 -5.669 1.00 0.00 H new ATOM 0 HG3 GLN A 130 -2.486 3.408 -4.450 1.00 0.00 H new ATOM 0 HE21 GLN A 130 -2.420 3.738 -8.018 1.00 0.00 H new ATOM 0 HE22 GLN A 130 -2.317 5.500 -7.955 1.00 0.00 H new ATOM 378 N CYS A 131 -3.035 1.184 -3.268 1.00 0.00 N ATOM 379 CA CYS A 131 -4.268 0.756 -2.618 1.00 0.00 C ATOM 380 C CYS A 131 -5.448 0.840 -3.581 1.00 0.00 C ATOM 381 O CYS A 131 -5.445 1.643 -4.513 1.00 0.00 O ATOM 382 CB CYS A 131 -4.542 1.615 -1.382 1.00 0.00 C ATOM 383 SG CYS A 131 -5.941 1.035 -0.369 1.00 0.00 S ATOM 0 H CYS A 131 -2.565 1.963 -2.808 1.00 0.00 H new ATOM 0 HA CYS A 131 -4.146 -0.283 -2.311 1.00 0.00 H new ATOM 0 HB2 CYS A 131 -3.645 1.639 -0.763 1.00 0.00 H new ATOM 0 HB3 CYS A 131 -4.738 2.639 -1.700 1.00 0.00 H new ATOM 388 N GLU A 132 -6.456 0.004 -3.348 1.00 0.00 N ATOM 389 CA GLU A 132 -7.642 -0.016 -4.196 1.00 0.00 C ATOM 390 C GLU A 132 -8.691 0.969 -3.688 1.00 0.00 C ATOM 391 O GLU A 132 -9.862 0.893 -4.060 1.00 0.00 O ATOM 392 CB GLU A 132 -8.235 -1.426 -4.248 1.00 0.00 C ATOM 393 CG GLU A 132 -8.012 -2.131 -5.576 1.00 0.00 C ATOM 394 CD GLU A 132 -9.148 -1.904 -6.554 1.00 0.00 C ATOM 395 OE1 GLU A 132 -10.315 -1.864 -6.110 1.00 0.00 O ATOM 396 OE2 GLU A 132 -8.870 -1.768 -7.764 1.00 0.00 O ATOM 0 H GLU A 132 -6.475 -0.667 -2.580 1.00 0.00 H new ATOM 0 HA GLU A 132 -7.344 0.283 -5.201 1.00 0.00 H new ATOM 0 HB2 GLU A 132 -7.797 -2.025 -3.450 1.00 0.00 H new ATOM 0 HB3 GLU A 132 -9.306 -1.368 -4.052 1.00 0.00 H new ATOM 0 HG2 GLU A 132 -7.080 -1.778 -6.019 1.00 0.00 H new ATOM 0 HG3 GLU A 132 -7.897 -3.201 -5.401 1.00 0.00 H new ATOM 403 N ASP A 133 -8.261 1.893 -2.835 1.00 0.00 N ATOM 404 CA ASP A 133 -9.162 2.895 -2.276 1.00 0.00 C ATOM 405 C ASP A 133 -8.742 4.299 -2.698 1.00 0.00 C ATOM 406 O ASP A 133 -7.652 4.759 -2.359 1.00 0.00 O ATOM 407 CB ASP A 133 -9.187 2.793 -0.750 1.00 0.00 C ATOM 408 CG ASP A 133 -10.133 3.795 -0.118 1.00 0.00 C ATOM 409 OD1 ASP A 133 -11.224 4.018 -0.684 1.00 0.00 O ATOM 410 OD2 ASP A 133 -9.783 4.358 0.940 1.00 0.00 O ATOM 0 H ASP A 133 -7.295 1.969 -2.516 1.00 0.00 H new ATOM 0 HA ASP A 133 -10.163 2.704 -2.662 1.00 0.00 H new ATOM 0 HB2 ASP A 133 -9.484 1.785 -0.461 1.00 0.00 H new ATOM 0 HB3 ASP A 133 -8.181 2.952 -0.362 1.00 0.00 H new ATOM 415 N GLN A 134 -9.614 4.975 -3.439 1.00 0.00 N ATOM 416 CA GLN A 134 -9.332 6.326 -3.908 1.00 0.00 C ATOM 417 C GLN A 134 -9.180 7.289 -2.736 1.00 0.00 C ATOM 418 O GLN A 134 -8.558 8.344 -2.863 1.00 0.00 O ATOM 419 CB GLN A 134 -10.447 6.808 -4.838 1.00 0.00 C ATOM 420 CG GLN A 134 -10.271 8.245 -5.305 1.00 0.00 C ATOM 421 CD GLN A 134 -11.251 9.196 -4.646 1.00 0.00 C ATOM 422 OE1 GLN A 134 -12.360 9.403 -5.139 1.00 0.00 O ATOM 423 NE2 GLN A 134 -10.845 9.781 -3.526 1.00 0.00 N ATOM 0 H GLN A 134 -10.521 4.609 -3.727 1.00 0.00 H new ATOM 0 HA GLN A 134 -8.392 6.303 -4.459 1.00 0.00 H new ATOM 0 HB2 GLN A 134 -10.490 6.154 -5.709 1.00 0.00 H new ATOM 0 HB3 GLN A 134 -11.403 6.717 -4.323 1.00 0.00 H new ATOM 0 HG2 GLN A 134 -9.253 8.571 -5.090 1.00 0.00 H new ATOM 0 HG3 GLN A 134 -10.398 8.290 -6.387 1.00 0.00 H new ATOM 0 HE21 GLN A 134 -9.917 9.580 -3.153 1.00 0.00 H new ATOM 0 HE22 GLN A 134 -11.461 10.432 -3.038 1.00 0.00 H new ATOM 432 N ARG A 135 -9.752 6.919 -1.595 1.00 0.00 N ATOM 433 CA ARG A 135 -9.681 7.751 -0.399 1.00 0.00 C ATOM 434 C ARG A 135 -8.417 7.448 0.400 1.00 0.00 C ATOM 435 O ARG A 135 -8.248 7.929 1.521 1.00 0.00 O ATOM 436 CB ARG A 135 -10.916 7.530 0.476 1.00 0.00 C ATOM 437 CG ARG A 135 -12.195 8.095 -0.121 1.00 0.00 C ATOM 438 CD ARG A 135 -12.365 9.568 0.220 1.00 0.00 C ATOM 439 NE ARG A 135 -13.311 9.771 1.313 1.00 0.00 N ATOM 440 CZ ARG A 135 -14.621 9.588 1.195 1.00 0.00 C ATOM 441 NH1 ARG A 135 -15.138 9.199 0.038 1.00 0.00 N ATOM 442 NH2 ARG A 135 -15.418 9.794 2.236 1.00 0.00 N ATOM 0 H ARG A 135 -10.270 6.049 -1.473 1.00 0.00 H new ATOM 0 HA ARG A 135 -9.649 8.794 -0.714 1.00 0.00 H new ATOM 0 HB2 ARG A 135 -11.045 6.461 0.644 1.00 0.00 H new ATOM 0 HB3 ARG A 135 -10.747 7.988 1.451 1.00 0.00 H new ATOM 0 HG2 ARG A 135 -12.179 7.970 -1.204 1.00 0.00 H new ATOM 0 HG3 ARG A 135 -13.051 7.533 0.252 1.00 0.00 H new ATOM 0 HD2 ARG A 135 -11.398 9.990 0.494 1.00 0.00 H new ATOM 0 HD3 ARG A 135 -12.710 10.107 -0.663 1.00 0.00 H new ATOM 0 HE ARG A 135 -12.946 10.070 2.217 1.00 0.00 H new ATOM 0 HH11 ARG A 135 -14.529 9.039 -0.765 1.00 0.00 H new ATOM 0 HH12 ARG A 135 -16.145 9.059 -0.050 1.00 0.00 H new ATOM 0 HH21 ARG A 135 -15.025 10.093 3.128 1.00 0.00 H new ATOM 0 HH22 ARG A 135 -16.424 9.653 2.144 1.00 0.00 H new ATOM 456 N CYS A 136 -7.532 6.647 -0.184 1.00 0.00 N ATOM 457 CA CYS A 136 -6.284 6.278 0.473 1.00 0.00 C ATOM 458 C CYS A 136 -5.086 6.598 -0.417 1.00 0.00 C ATOM 459 O CYS A 136 -4.200 7.359 -0.031 1.00 0.00 O ATOM 460 CB CYS A 136 -6.289 4.790 0.825 1.00 0.00 C ATOM 461 SG CYS A 136 -5.821 4.432 2.549 1.00 0.00 S ATOM 0 H CYS A 136 -7.656 6.241 -1.111 1.00 0.00 H new ATOM 0 HA CYS A 136 -6.199 6.861 1.390 1.00 0.00 H new ATOM 0 HB2 CYS A 136 -7.284 4.387 0.639 1.00 0.00 H new ATOM 0 HB3 CYS A 136 -5.604 4.267 0.158 1.00 0.00 H new ATOM 466 N GLN A 137 -5.069 6.010 -1.609 1.00 0.00 N ATOM 467 CA GLN A 137 -3.980 6.232 -2.554 1.00 0.00 C ATOM 468 C GLN A 137 -2.627 5.995 -1.890 1.00 0.00 C ATOM 469 O GLN A 137 -1.737 6.843 -1.952 1.00 0.00 O ATOM 470 CB GLN A 137 -4.044 7.654 -3.114 1.00 0.00 C ATOM 471 CG GLN A 137 -5.335 7.956 -3.859 1.00 0.00 C ATOM 472 CD GLN A 137 -5.176 7.863 -5.363 1.00 0.00 C ATOM 473 OE1 GLN A 137 -5.069 8.878 -6.052 1.00 0.00 O ATOM 474 NE2 GLN A 137 -5.160 6.641 -5.883 1.00 0.00 N ATOM 0 H GLN A 137 -5.796 5.377 -1.943 1.00 0.00 H new ATOM 0 HA GLN A 137 -4.093 5.521 -3.373 1.00 0.00 H new ATOM 0 HB2 GLN A 137 -3.932 8.364 -2.294 1.00 0.00 H new ATOM 0 HB3 GLN A 137 -3.201 7.809 -3.787 1.00 0.00 H new ATOM 0 HG2 GLN A 137 -6.108 7.259 -3.535 1.00 0.00 H new ATOM 0 HG3 GLN A 137 -5.677 8.957 -3.595 1.00 0.00 H new ATOM 0 HE21 GLN A 137 -5.252 5.827 -5.275 1.00 0.00 H new ATOM 0 HE22 GLN A 137 -5.056 6.517 -6.890 1.00 0.00 H new ATOM 483 N VAL A 138 -2.480 4.837 -1.255 1.00 0.00 N ATOM 484 CA VAL A 138 -1.235 4.488 -0.581 1.00 0.00 C ATOM 485 C VAL A 138 -0.561 3.297 -1.252 1.00 0.00 C ATOM 486 O VAL A 138 -1.172 2.242 -1.427 1.00 0.00 O ATOM 487 CB VAL A 138 -1.475 4.157 0.904 1.00 0.00 C ATOM 488 CG1 VAL A 138 -1.837 5.415 1.680 1.00 0.00 C ATOM 489 CG2 VAL A 138 -2.562 3.103 1.046 1.00 0.00 C ATOM 0 H VAL A 138 -3.207 4.125 -1.193 1.00 0.00 H new ATOM 0 HA VAL A 138 -0.583 5.358 -0.652 1.00 0.00 H new ATOM 0 HB VAL A 138 -0.553 3.754 1.322 1.00 0.00 H new ATOM 0 HG11 VAL A 138 -2.003 5.162 2.727 1.00 0.00 H new ATOM 0 HG12 VAL A 138 -1.022 6.135 1.606 1.00 0.00 H new ATOM 0 HG13 VAL A 138 -2.745 5.850 1.264 1.00 0.00 H new ATOM 0 HG21 VAL A 138 -2.718 2.881 2.102 1.00 0.00 H new ATOM 0 HG22 VAL A 138 -3.490 3.476 0.612 1.00 0.00 H new ATOM 0 HG23 VAL A 138 -2.258 2.195 0.526 1.00 0.00 H new ATOM 499 N TRP A 139 0.701 3.472 -1.626 1.00 0.00 N ATOM 500 CA TRP A 139 1.459 2.410 -2.279 1.00 0.00 C ATOM 501 C TRP A 139 2.179 1.544 -1.251 1.00 0.00 C ATOM 502 O TRP A 139 2.616 2.035 -0.211 1.00 0.00 O ATOM 503 CB TRP A 139 2.470 3.006 -3.259 1.00 0.00 C ATOM 504 CG TRP A 139 1.832 3.763 -4.384 1.00 0.00 C ATOM 505 CD1 TRP A 139 0.976 4.822 -4.278 1.00 0.00 C ATOM 506 CD2 TRP A 139 1.997 3.518 -5.785 1.00 0.00 C ATOM 507 NE1 TRP A 139 0.599 5.250 -5.528 1.00 0.00 N ATOM 508 CE2 TRP A 139 1.213 4.467 -6.470 1.00 0.00 C ATOM 509 CE3 TRP A 139 2.733 2.591 -6.528 1.00 0.00 C ATOM 510 CZ2 TRP A 139 1.144 4.512 -7.860 1.00 0.00 C ATOM 511 CZ3 TRP A 139 2.664 2.637 -7.907 1.00 0.00 C ATOM 512 CH2 TRP A 139 1.875 3.592 -8.562 1.00 0.00 C ATOM 0 H TRP A 139 1.221 4.339 -1.489 1.00 0.00 H new ATOM 0 HA TRP A 139 0.758 1.782 -2.828 1.00 0.00 H new ATOM 0 HB2 TRP A 139 3.141 3.672 -2.717 1.00 0.00 H new ATOM 0 HB3 TRP A 139 3.082 2.204 -3.671 1.00 0.00 H new ATOM 0 HD1 TRP A 139 0.644 5.259 -3.348 1.00 0.00 H new ATOM 0 HE1 TRP A 139 -0.035 6.025 -5.723 1.00 0.00 H new ATOM 0 HE3 TRP A 139 3.345 1.852 -6.033 1.00 0.00 H new ATOM 0 HZ2 TRP A 139 0.535 5.247 -8.366 1.00 0.00 H new ATOM 0 HZ3 TRP A 139 3.228 1.924 -8.490 1.00 0.00 H new ATOM 0 HH2 TRP A 139 1.843 3.602 -9.641 1.00 0.00 H new ATOM 523 N GLN A 140 2.298 0.255 -1.550 1.00 0.00 N ATOM 524 CA GLN A 140 2.965 -0.679 -0.650 1.00 0.00 C ATOM 525 C GLN A 140 3.706 -1.757 -1.435 1.00 0.00 C ATOM 526 O GLN A 140 3.395 -2.016 -2.598 1.00 0.00 O ATOM 527 CB GLN A 140 1.949 -1.325 0.294 1.00 0.00 C ATOM 528 CG GLN A 140 1.419 -0.377 1.358 1.00 0.00 C ATOM 529 CD GLN A 140 0.863 -1.108 2.564 1.00 0.00 C ATOM 530 OE1 GLN A 140 0.885 -2.337 2.625 1.00 0.00 O ATOM 531 NE2 GLN A 140 0.361 -0.352 3.534 1.00 0.00 N ATOM 0 H GLN A 140 1.942 -0.167 -2.408 1.00 0.00 H new ATOM 0 HA GLN A 140 3.692 -0.120 -0.061 1.00 0.00 H new ATOM 0 HB2 GLN A 140 1.112 -1.705 -0.292 1.00 0.00 H new ATOM 0 HB3 GLN A 140 2.413 -2.183 0.782 1.00 0.00 H new ATOM 0 HG2 GLN A 140 2.221 0.288 1.679 1.00 0.00 H new ATOM 0 HG3 GLN A 140 0.639 0.249 0.926 1.00 0.00 H new ATOM 0 HE21 GLN A 140 0.363 0.664 3.442 1.00 0.00 H new ATOM 0 HE22 GLN A 140 -0.027 -0.787 4.371 1.00 0.00 H new ATOM 540 N HIS A 141 4.686 -2.382 -0.791 1.00 0.00 N ATOM 541 CA HIS A 141 5.471 -3.433 -1.429 1.00 0.00 C ATOM 542 C HIS A 141 4.670 -4.729 -1.522 1.00 0.00 C ATOM 543 O HIS A 141 4.329 -5.334 -0.505 1.00 0.00 O ATOM 544 CB HIS A 141 6.766 -3.675 -0.653 1.00 0.00 C ATOM 545 CG HIS A 141 7.663 -2.477 -0.596 1.00 0.00 C ATOM 546 ND1 HIS A 141 8.555 -2.252 0.431 1.00 0.00 N ATOM 547 CD2 HIS A 141 7.803 -1.435 -1.449 1.00 0.00 C ATOM 548 CE1 HIS A 141 9.204 -1.124 0.208 1.00 0.00 C ATOM 549 NE2 HIS A 141 8.766 -0.608 -0.926 1.00 0.00 N ATOM 0 H HIS A 141 4.956 -2.179 0.172 1.00 0.00 H new ATOM 0 HA HIS A 141 5.718 -3.105 -2.439 1.00 0.00 H new ATOM 0 HB2 HIS A 141 6.519 -3.982 0.363 1.00 0.00 H new ATOM 0 HB3 HIS A 141 7.307 -4.502 -1.113 1.00 0.00 H new ATOM 0 HD2 HIS A 141 7.259 -1.283 -2.369 1.00 0.00 H new ATOM 0 HE1 HIS A 141 9.964 -0.696 0.845 1.00 0.00 H new ATOM 0 HE2 HIS A 141 9.090 0.263 -1.345 1.00 0.00 H new ATOM 557 N LEU A 142 4.373 -5.148 -2.747 1.00 0.00 N ATOM 558 CA LEU A 142 3.612 -6.372 -2.973 1.00 0.00 C ATOM 559 C LEU A 142 4.230 -7.545 -2.220 1.00 0.00 C ATOM 560 O LEU A 142 3.522 -8.355 -1.623 1.00 0.00 O ATOM 561 CB LEU A 142 3.548 -6.687 -4.468 1.00 0.00 C ATOM 562 CG LEU A 142 2.223 -6.375 -5.164 1.00 0.00 C ATOM 563 CD1 LEU A 142 2.295 -6.742 -6.639 1.00 0.00 C ATOM 564 CD2 LEU A 142 1.077 -7.112 -4.485 1.00 0.00 C ATOM 0 H LEU A 142 4.647 -4.659 -3.599 1.00 0.00 H new ATOM 0 HA LEU A 142 2.601 -6.216 -2.597 1.00 0.00 H new ATOM 0 HB2 LEU A 142 4.339 -6.130 -4.970 1.00 0.00 H new ATOM 0 HB3 LEU A 142 3.767 -7.746 -4.605 1.00 0.00 H new ATOM 0 HG LEU A 142 2.037 -5.304 -5.086 1.00 0.00 H new ATOM 0 HD11 LEU A 142 1.343 -6.513 -7.118 1.00 0.00 H new ATOM 0 HD12 LEU A 142 3.089 -6.169 -7.118 1.00 0.00 H new ATOM 0 HD13 LEU A 142 2.504 -7.807 -6.739 1.00 0.00 H new ATOM 0 HD21 LEU A 142 0.142 -6.878 -4.994 1.00 0.00 H new ATOM 0 HD22 LEU A 142 1.257 -8.186 -4.532 1.00 0.00 H new ATOM 0 HD23 LEU A 142 1.011 -6.800 -3.443 1.00 0.00 H new ATOM 576 N ASN A 143 5.556 -7.628 -2.251 1.00 0.00 N ATOM 577 CA ASN A 143 6.271 -8.702 -1.570 1.00 0.00 C ATOM 578 C ASN A 143 6.040 -8.638 -0.063 1.00 0.00 C ATOM 579 O ASN A 143 6.055 -9.661 0.622 1.00 0.00 O ATOM 580 CB ASN A 143 7.768 -8.617 -1.871 1.00 0.00 C ATOM 581 CG ASN A 143 8.155 -9.407 -3.107 1.00 0.00 C ATOM 582 OD1 ASN A 143 8.782 -10.462 -3.012 1.00 0.00 O ATOM 583 ND2 ASN A 143 7.780 -8.898 -4.275 1.00 0.00 N ATOM 0 H ASN A 143 6.157 -6.965 -2.740 1.00 0.00 H new ATOM 0 HA ASN A 143 5.886 -9.653 -1.939 1.00 0.00 H new ATOM 0 HB2 ASN A 143 8.050 -7.573 -2.007 1.00 0.00 H new ATOM 0 HB3 ASN A 143 8.330 -8.989 -1.014 1.00 0.00 H new ATOM 0 HD21 ASN A 143 8.011 -9.385 -5.141 1.00 0.00 H new ATOM 0 HD22 ASN A 143 7.261 -8.020 -4.306 1.00 0.00 H new ATOM 590 N CYS A 144 5.826 -7.430 0.447 1.00 0.00 N ATOM 591 CA CYS A 144 5.591 -7.231 1.872 1.00 0.00 C ATOM 592 C CYS A 144 4.157 -7.596 2.243 1.00 0.00 C ATOM 593 O CYS A 144 3.898 -8.115 3.329 1.00 0.00 O ATOM 594 CB CYS A 144 5.877 -5.779 2.260 1.00 0.00 C ATOM 595 SG CYS A 144 7.648 -5.390 2.434 1.00 0.00 S ATOM 0 H CYS A 144 5.810 -6.573 -0.106 1.00 0.00 H new ATOM 0 HA CYS A 144 6.267 -7.886 2.421 1.00 0.00 H new ATOM 0 HB2 CYS A 144 5.444 -5.121 1.507 1.00 0.00 H new ATOM 0 HB3 CYS A 144 5.374 -5.560 3.202 1.00 0.00 H new ATOM 600 N VAL A 145 3.228 -7.320 1.333 1.00 0.00 N ATOM 601 CA VAL A 145 1.820 -7.620 1.564 1.00 0.00 C ATOM 602 C VAL A 145 1.428 -8.946 0.921 1.00 0.00 C ATOM 603 O VAL A 145 0.245 -9.272 0.818 1.00 0.00 O ATOM 604 CB VAL A 145 0.911 -6.506 1.011 1.00 0.00 C ATOM 605 CG1 VAL A 145 1.072 -5.232 1.826 1.00 0.00 C ATOM 606 CG2 VAL A 145 1.214 -6.251 -0.458 1.00 0.00 C ATOM 0 H VAL A 145 3.425 -6.889 0.430 1.00 0.00 H new ATOM 0 HA VAL A 145 1.684 -7.688 2.643 1.00 0.00 H new ATOM 0 HB VAL A 145 -0.126 -6.833 1.093 1.00 0.00 H new ATOM 0 HG11 VAL A 145 0.422 -4.456 1.421 1.00 0.00 H new ATOM 0 HG12 VAL A 145 0.801 -5.427 2.864 1.00 0.00 H new ATOM 0 HG13 VAL A 145 2.109 -4.898 1.779 1.00 0.00 H new ATOM 0 HG21 VAL A 145 0.563 -5.461 -0.832 1.00 0.00 H new ATOM 0 HG22 VAL A 145 2.255 -5.945 -0.567 1.00 0.00 H new ATOM 0 HG23 VAL A 145 1.042 -7.164 -1.029 1.00 0.00 H new ATOM 616 N LEU A 146 2.428 -9.706 0.491 1.00 0.00 N ATOM 617 CA LEU A 146 2.189 -10.999 -0.142 1.00 0.00 C ATOM 618 C LEU A 146 2.339 -12.135 0.865 1.00 0.00 C ATOM 619 O LEU A 146 3.430 -12.381 1.379 1.00 0.00 O ATOM 620 CB LEU A 146 3.157 -11.205 -1.308 1.00 0.00 C ATOM 621 CG LEU A 146 2.569 -11.024 -2.709 1.00 0.00 C ATOM 622 CD1 LEU A 146 3.679 -10.895 -3.740 1.00 0.00 C ATOM 623 CD2 LEU A 146 1.649 -12.185 -3.055 1.00 0.00 C ATOM 0 H LEU A 146 3.412 -9.450 0.569 1.00 0.00 H new ATOM 0 HA LEU A 146 1.167 -11.007 -0.521 1.00 0.00 H new ATOM 0 HB2 LEU A 146 3.988 -10.509 -1.192 1.00 0.00 H new ATOM 0 HB3 LEU A 146 3.571 -12.211 -1.237 1.00 0.00 H new ATOM 0 HG LEU A 146 1.982 -10.106 -2.721 1.00 0.00 H new ATOM 0 HD11 LEU A 146 3.242 -10.767 -4.731 1.00 0.00 H new ATOM 0 HD12 LEU A 146 4.298 -10.030 -3.502 1.00 0.00 H new ATOM 0 HD13 LEU A 146 4.293 -11.795 -3.728 1.00 0.00 H new ATOM 0 HD21 LEU A 146 1.240 -12.040 -4.055 1.00 0.00 H new ATOM 0 HD22 LEU A 146 2.213 -13.117 -3.026 1.00 0.00 H new ATOM 0 HD23 LEU A 146 0.834 -12.231 -2.333 1.00 0.00 H new ATOM 635 N ILE A 147 1.236 -12.823 1.141 1.00 0.00 N ATOM 636 CA ILE A 147 1.247 -13.935 2.083 1.00 0.00 C ATOM 637 C ILE A 147 0.831 -15.236 1.404 1.00 0.00 C ATOM 638 O ILE A 147 -0.325 -15.424 1.023 1.00 0.00 O ATOM 639 CB ILE A 147 0.310 -13.670 3.277 1.00 0.00 C ATOM 640 CG1 ILE A 147 0.174 -12.165 3.521 1.00 0.00 C ATOM 641 CG2 ILE A 147 0.829 -14.370 4.524 1.00 0.00 C ATOM 642 CD1 ILE A 147 1.485 -11.484 3.843 1.00 0.00 C ATOM 0 H ILE A 147 0.324 -12.630 0.726 1.00 0.00 H new ATOM 0 HA ILE A 147 2.270 -14.030 2.447 1.00 0.00 H new ATOM 0 HB ILE A 147 -0.676 -14.072 3.043 1.00 0.00 H new ATOM 0 HG12 ILE A 147 -0.260 -11.700 2.636 1.00 0.00 H new ATOM 0 HG13 ILE A 147 -0.523 -12.000 4.342 1.00 0.00 H new ATOM 0 HG21 ILE A 147 0.156 -14.173 5.359 1.00 0.00 H new ATOM 0 HG22 ILE A 147 0.879 -15.444 4.344 1.00 0.00 H new ATOM 0 HG23 ILE A 147 1.824 -13.995 4.764 1.00 0.00 H new ATOM 0 HD11 ILE A 147 1.312 -10.420 4.004 1.00 0.00 H new ATOM 0 HD12 ILE A 147 1.911 -11.923 4.745 1.00 0.00 H new ATOM 0 HD13 ILE A 147 2.178 -11.618 3.012 1.00 0.00 H new ATOM 654 N PRO A 148 1.793 -16.157 1.250 1.00 0.00 N ATOM 655 CA PRO A 148 1.551 -17.457 0.619 1.00 0.00 C ATOM 656 C PRO A 148 0.683 -18.367 1.481 1.00 0.00 C ATOM 657 O PRO A 148 0.791 -18.365 2.707 1.00 0.00 O ATOM 658 CB PRO A 148 2.956 -18.045 0.467 1.00 0.00 C ATOM 659 CG PRO A 148 3.761 -17.384 1.532 1.00 0.00 C ATOM 660 CD PRO A 148 3.193 -15.999 1.680 1.00 0.00 C ATOM 0 HA PRO A 148 1.011 -17.359 -0.323 1.00 0.00 H new ATOM 0 HB2 PRO A 148 2.948 -19.128 0.592 1.00 0.00 H new ATOM 0 HB3 PRO A 148 3.365 -17.841 -0.522 1.00 0.00 H new ATOM 0 HG2 PRO A 148 3.695 -17.935 2.470 1.00 0.00 H new ATOM 0 HG3 PRO A 148 4.815 -17.346 1.258 1.00 0.00 H new ATOM 0 HD2 PRO A 148 3.260 -15.645 2.709 1.00 0.00 H new ATOM 0 HD3 PRO A 148 3.725 -15.278 1.059 1.00 0.00 H new ATOM 668 N ASP A 149 -0.178 -19.144 0.833 1.00 0.00 N ATOM 669 CA ASP A 149 -1.064 -20.061 1.541 1.00 0.00 C ATOM 670 C ASP A 149 -0.276 -20.943 2.504 1.00 0.00 C ATOM 671 O ASP A 149 -0.792 -21.367 3.539 1.00 0.00 O ATOM 672 CB ASP A 149 -1.833 -20.931 0.545 1.00 0.00 C ATOM 673 CG ASP A 149 -0.923 -21.578 -0.481 1.00 0.00 C ATOM 674 OD1 ASP A 149 -0.326 -22.629 -0.167 1.00 0.00 O ATOM 675 OD2 ASP A 149 -0.810 -21.034 -1.599 1.00 0.00 O ATOM 0 H ASP A 149 -0.281 -19.157 -0.182 1.00 0.00 H new ATOM 0 HA ASP A 149 -1.774 -19.469 2.118 1.00 0.00 H new ATOM 0 HB2 ASP A 149 -2.374 -21.707 1.087 1.00 0.00 H new ATOM 0 HB3 ASP A 149 -2.577 -20.321 0.033 1.00 0.00 H new ATOM 680 N LYS A 150 0.977 -21.217 2.157 1.00 0.00 N ATOM 681 CA LYS A 150 1.838 -22.048 2.990 1.00 0.00 C ATOM 682 C LYS A 150 3.242 -21.460 3.079 1.00 0.00 C ATOM 683 O LYS A 150 3.651 -20.640 2.256 1.00 0.00 O ATOM 684 CB LYS A 150 1.904 -23.471 2.430 1.00 0.00 C ATOM 685 CG LYS A 150 1.115 -24.482 3.243 1.00 0.00 C ATOM 686 CD LYS A 150 -0.317 -24.599 2.749 1.00 0.00 C ATOM 687 CE LYS A 150 -0.916 -25.956 3.091 1.00 0.00 C ATOM 688 NZ LYS A 150 -0.337 -27.043 2.254 1.00 0.00 N ATOM 0 H LYS A 150 1.419 -20.875 1.304 1.00 0.00 H new ATOM 0 HA LYS A 150 1.412 -22.078 3.993 1.00 0.00 H new ATOM 0 HB2 LYS A 150 1.528 -23.468 1.407 1.00 0.00 H new ATOM 0 HB3 LYS A 150 2.946 -23.787 2.386 1.00 0.00 H new ATOM 0 HG2 LYS A 150 1.601 -25.456 3.185 1.00 0.00 H new ATOM 0 HG3 LYS A 150 1.116 -24.187 4.292 1.00 0.00 H new ATOM 0 HD2 LYS A 150 -0.922 -23.810 3.195 1.00 0.00 H new ATOM 0 HD3 LYS A 150 -0.344 -24.450 1.670 1.00 0.00 H new ATOM 0 HE2 LYS A 150 -0.741 -26.176 4.144 1.00 0.00 H new ATOM 0 HE3 LYS A 150 -1.996 -25.923 2.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 150 -0.959 -27.876 2.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 150 -0.250 -26.715 1.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 150 0.603 -27.299 2.618 1.00 0.00 H new ATOM 702 N PRO A 151 4.001 -21.887 4.099 1.00 0.00 N ATOM 703 CA PRO A 151 5.372 -21.417 4.318 1.00 0.00 C ATOM 704 C PRO A 151 6.338 -21.931 3.256 1.00 0.00 C ATOM 705 O PRO A 151 6.569 -23.134 3.144 1.00 0.00 O ATOM 706 CB PRO A 151 5.730 -21.992 5.690 1.00 0.00 C ATOM 707 CG PRO A 151 4.857 -23.191 5.838 1.00 0.00 C ATOM 708 CD PRO A 151 3.578 -22.864 5.118 1.00 0.00 C ATOM 0 HA PRO A 151 5.443 -20.331 4.265 1.00 0.00 H new ATOM 0 HB2 PRO A 151 6.785 -22.261 5.743 1.00 0.00 H new ATOM 0 HB3 PRO A 151 5.545 -21.268 6.483 1.00 0.00 H new ATOM 0 HG2 PRO A 151 5.331 -24.074 5.410 1.00 0.00 H new ATOM 0 HG3 PRO A 151 4.668 -23.409 6.889 1.00 0.00 H new ATOM 0 HD2 PRO A 151 3.134 -23.750 4.665 1.00 0.00 H new ATOM 0 HD3 PRO A 151 2.833 -22.443 5.793 1.00 0.00 H new ATOM 716 N GLY A 152 6.900 -21.011 2.478 1.00 0.00 N ATOM 717 CA GLY A 152 7.835 -21.392 1.436 1.00 0.00 C ATOM 718 C GLY A 152 7.164 -21.551 0.086 1.00 0.00 C ATOM 719 O GLY A 152 7.834 -21.588 -0.946 1.00 0.00 O ATOM 0 H GLY A 152 6.724 -20.009 2.551 1.00 0.00 H new ATOM 0 HA2 GLY A 152 8.619 -20.638 1.362 1.00 0.00 H new ATOM 0 HA3 GLY A 152 8.319 -22.329 1.711 1.00 0.00 H new ATOM 723 N GLU A 153 5.839 -21.648 0.093 1.00 0.00 N ATOM 724 CA GLU A 153 5.078 -21.807 -1.141 1.00 0.00 C ATOM 725 C GLU A 153 5.060 -20.508 -1.941 1.00 0.00 C ATOM 726 O GLU A 153 5.750 -19.547 -1.600 1.00 0.00 O ATOM 727 CB GLU A 153 3.647 -22.249 -0.831 1.00 0.00 C ATOM 728 CG GLU A 153 3.281 -23.596 -1.431 1.00 0.00 C ATOM 729 CD GLU A 153 3.663 -23.706 -2.894 1.00 0.00 C ATOM 730 OE1 GLU A 153 3.029 -23.021 -3.725 1.00 0.00 O ATOM 731 OE2 GLU A 153 4.594 -24.476 -3.209 1.00 0.00 O ATOM 0 H GLU A 153 5.270 -21.619 0.939 1.00 0.00 H new ATOM 0 HA GLU A 153 5.565 -22.575 -1.741 1.00 0.00 H new ATOM 0 HB2 GLU A 153 3.516 -22.295 0.250 1.00 0.00 H new ATOM 0 HB3 GLU A 153 2.954 -21.495 -1.204 1.00 0.00 H new ATOM 0 HG2 GLU A 153 3.778 -24.387 -0.869 1.00 0.00 H new ATOM 0 HG3 GLU A 153 2.208 -23.757 -1.326 1.00 0.00 H new ATOM 738 N SER A 154 4.265 -20.486 -3.006 1.00 0.00 N ATOM 739 CA SER A 154 4.160 -19.307 -3.857 1.00 0.00 C ATOM 740 C SER A 154 3.163 -18.307 -3.279 1.00 0.00 C ATOM 741 O SER A 154 1.999 -18.636 -3.049 1.00 0.00 O ATOM 742 CB SER A 154 3.735 -19.708 -5.271 1.00 0.00 C ATOM 743 OG SER A 154 4.861 -19.871 -6.115 1.00 0.00 O ATOM 0 H SER A 154 3.684 -21.271 -3.300 1.00 0.00 H new ATOM 0 HA SER A 154 5.141 -18.833 -3.901 1.00 0.00 H new ATOM 0 HB2 SER A 154 3.167 -20.638 -5.233 1.00 0.00 H new ATOM 0 HB3 SER A 154 3.074 -18.947 -5.685 1.00 0.00 H new ATOM 0 HG SER A 154 4.563 -20.129 -7.012 1.00 0.00 H new ATOM 749 N ALA A 155 3.628 -17.084 -3.045 1.00 0.00 N ATOM 750 CA ALA A 155 2.778 -16.035 -2.496 1.00 0.00 C ATOM 751 C ALA A 155 1.484 -15.904 -3.291 1.00 0.00 C ATOM 752 O ALA A 155 1.372 -16.425 -4.401 1.00 0.00 O ATOM 753 CB ALA A 155 3.524 -14.709 -2.474 1.00 0.00 C ATOM 0 H ALA A 155 4.589 -16.795 -3.227 1.00 0.00 H new ATOM 0 HA ALA A 155 2.518 -16.310 -1.474 1.00 0.00 H new ATOM 0 HB1 ALA A 155 2.877 -13.935 -2.062 1.00 0.00 H new ATOM 0 HB2 ALA A 155 4.416 -14.804 -1.855 1.00 0.00 H new ATOM 0 HB3 ALA A 155 3.813 -14.437 -3.489 1.00 0.00 H new ATOM 759 N GLU A 156 0.509 -15.207 -2.717 1.00 0.00 N ATOM 760 CA GLU A 156 -0.778 -15.009 -3.373 1.00 0.00 C ATOM 761 C GLU A 156 -1.016 -13.532 -3.670 1.00 0.00 C ATOM 762 O GLU A 156 -1.159 -12.719 -2.757 1.00 0.00 O ATOM 763 CB GLU A 156 -1.910 -15.555 -2.500 1.00 0.00 C ATOM 764 CG GLU A 156 -2.791 -16.569 -3.209 1.00 0.00 C ATOM 765 CD GLU A 156 -4.156 -16.009 -3.562 1.00 0.00 C ATOM 766 OE1 GLU A 156 -4.291 -15.420 -4.655 1.00 0.00 O ATOM 767 OE2 GLU A 156 -5.089 -16.160 -2.745 1.00 0.00 O ATOM 0 H GLU A 156 0.586 -14.770 -1.799 1.00 0.00 H new ATOM 0 HA GLU A 156 -0.763 -15.553 -4.317 1.00 0.00 H new ATOM 0 HB2 GLU A 156 -1.481 -16.018 -1.611 1.00 0.00 H new ATOM 0 HB3 GLU A 156 -2.528 -14.724 -2.160 1.00 0.00 H new ATOM 0 HG2 GLU A 156 -2.293 -16.904 -4.119 1.00 0.00 H new ATOM 0 HG3 GLU A 156 -2.915 -17.445 -2.573 1.00 0.00 H new ATOM 774 N VAL A 157 -1.058 -13.192 -4.954 1.00 0.00 N ATOM 775 CA VAL A 157 -1.280 -11.813 -5.373 1.00 0.00 C ATOM 776 C VAL A 157 -2.722 -11.599 -5.819 1.00 0.00 C ATOM 777 O VAL A 157 -3.101 -11.907 -6.949 1.00 0.00 O ATOM 778 CB VAL A 157 -0.335 -11.417 -6.523 1.00 0.00 C ATOM 779 CG1 VAL A 157 -0.511 -9.948 -6.877 1.00 0.00 C ATOM 780 CG2 VAL A 157 1.110 -11.715 -6.151 1.00 0.00 C ATOM 0 H VAL A 157 -0.941 -13.853 -5.722 1.00 0.00 H new ATOM 0 HA VAL A 157 -1.073 -11.183 -4.508 1.00 0.00 H new ATOM 0 HB VAL A 157 -0.590 -12.010 -7.401 1.00 0.00 H new ATOM 0 HG11 VAL A 157 0.165 -9.686 -7.691 1.00 0.00 H new ATOM 0 HG12 VAL A 157 -1.540 -9.769 -7.188 1.00 0.00 H new ATOM 0 HG13 VAL A 157 -0.284 -9.334 -6.006 1.00 0.00 H new ATOM 0 HG21 VAL A 157 1.764 -11.429 -6.975 1.00 0.00 H new ATOM 0 HG22 VAL A 157 1.380 -11.149 -5.260 1.00 0.00 H new ATOM 0 HG23 VAL A 157 1.222 -12.781 -5.952 1.00 0.00 H new ATOM 790 N PRO A 158 -3.548 -11.058 -4.911 1.00 0.00 N ATOM 791 CA PRO A 158 -4.962 -10.789 -5.188 1.00 0.00 C ATOM 792 C PRO A 158 -5.152 -9.650 -6.184 1.00 0.00 C ATOM 793 O PRO A 158 -4.239 -8.869 -6.451 1.00 0.00 O ATOM 794 CB PRO A 158 -5.524 -10.401 -3.818 1.00 0.00 C ATOM 795 CG PRO A 158 -4.351 -9.879 -3.061 1.00 0.00 C ATOM 796 CD PRO A 158 -3.164 -10.665 -3.544 1.00 0.00 C ATOM 0 HA PRO A 158 -5.459 -11.647 -5.641 1.00 0.00 H new ATOM 0 HB2 PRO A 158 -6.304 -9.645 -3.910 1.00 0.00 H new ATOM 0 HB3 PRO A 158 -5.969 -11.259 -3.315 1.00 0.00 H new ATOM 0 HG2 PRO A 158 -4.213 -8.813 -3.242 1.00 0.00 H new ATOM 0 HG3 PRO A 158 -4.492 -10.005 -1.987 1.00 0.00 H new ATOM 0 HD2 PRO A 158 -2.255 -10.064 -3.539 1.00 0.00 H new ATOM 0 HD3 PRO A 158 -2.974 -11.534 -2.914 1.00 0.00 H new ATOM 804 N PRO A 159 -6.365 -9.551 -6.746 1.00 0.00 N ATOM 805 CA PRO A 159 -6.703 -8.509 -7.721 1.00 0.00 C ATOM 806 C PRO A 159 -6.776 -7.124 -7.088 1.00 0.00 C ATOM 807 O PRO A 159 -6.258 -6.151 -7.637 1.00 0.00 O ATOM 808 CB PRO A 159 -8.081 -8.936 -8.233 1.00 0.00 C ATOM 809 CG PRO A 159 -8.661 -9.748 -7.127 1.00 0.00 C ATOM 810 CD PRO A 159 -7.501 -10.447 -6.474 1.00 0.00 C ATOM 0 HA PRO A 159 -5.949 -8.424 -8.504 1.00 0.00 H new ATOM 0 HB2 PRO A 159 -8.705 -8.071 -8.458 1.00 0.00 H new ATOM 0 HB3 PRO A 159 -7.999 -9.518 -9.151 1.00 0.00 H new ATOM 0 HG2 PRO A 159 -9.187 -9.115 -6.413 1.00 0.00 H new ATOM 0 HG3 PRO A 159 -9.385 -10.467 -7.509 1.00 0.00 H new ATOM 0 HD2 PRO A 159 -7.662 -10.578 -5.404 1.00 0.00 H new ATOM 0 HD3 PRO A 159 -7.340 -11.439 -6.896 1.00 0.00 H new ATOM 818 N VAL A 160 -7.421 -7.042 -5.928 1.00 0.00 N ATOM 819 CA VAL A 160 -7.560 -5.775 -5.219 1.00 0.00 C ATOM 820 C VAL A 160 -6.751 -5.778 -3.927 1.00 0.00 C ATOM 821 O VAL A 160 -6.861 -6.696 -3.114 1.00 0.00 O ATOM 822 CB VAL A 160 -9.034 -5.476 -4.888 1.00 0.00 C ATOM 823 CG1 VAL A 160 -9.750 -4.910 -6.105 1.00 0.00 C ATOM 824 CG2 VAL A 160 -9.732 -6.731 -4.384 1.00 0.00 C ATOM 0 H VAL A 160 -7.855 -7.837 -5.460 1.00 0.00 H new ATOM 0 HA VAL A 160 -7.179 -4.998 -5.881 1.00 0.00 H new ATOM 0 HB VAL A 160 -9.066 -4.727 -4.096 1.00 0.00 H new ATOM 0 HG11 VAL A 160 -10.790 -4.705 -5.852 1.00 0.00 H new ATOM 0 HG12 VAL A 160 -9.263 -3.986 -6.416 1.00 0.00 H new ATOM 0 HG13 VAL A 160 -9.710 -5.633 -6.920 1.00 0.00 H new ATOM 0 HG21 VAL A 160 -10.773 -6.501 -4.155 1.00 0.00 H new ATOM 0 HG22 VAL A 160 -9.691 -7.503 -5.152 1.00 0.00 H new ATOM 0 HG23 VAL A 160 -9.233 -7.088 -3.483 1.00 0.00 H new ATOM 834 N PHE A 161 -5.937 -4.743 -3.743 1.00 0.00 N ATOM 835 CA PHE A 161 -5.108 -4.625 -2.549 1.00 0.00 C ATOM 836 C PHE A 161 -5.588 -3.478 -1.664 1.00 0.00 C ATOM 837 O PHE A 161 -5.931 -2.403 -2.155 1.00 0.00 O ATOM 838 CB PHE A 161 -3.645 -4.406 -2.938 1.00 0.00 C ATOM 839 CG PHE A 161 -2.819 -3.789 -1.845 1.00 0.00 C ATOM 840 CD1 PHE A 161 -2.400 -4.548 -0.764 1.00 0.00 C ATOM 841 CD2 PHE A 161 -2.464 -2.451 -1.898 1.00 0.00 C ATOM 842 CE1 PHE A 161 -1.640 -3.984 0.244 1.00 0.00 C ATOM 843 CE2 PHE A 161 -1.704 -1.882 -0.894 1.00 0.00 C ATOM 844 CZ PHE A 161 -1.293 -2.649 0.179 1.00 0.00 C ATOM 0 H PHE A 161 -5.834 -3.974 -4.406 1.00 0.00 H new ATOM 0 HA PHE A 161 -5.192 -5.554 -1.986 1.00 0.00 H new ATOM 0 HB2 PHE A 161 -3.205 -5.363 -3.219 1.00 0.00 H new ATOM 0 HB3 PHE A 161 -3.604 -3.766 -3.819 1.00 0.00 H new ATOM 0 HD1 PHE A 161 -2.670 -5.592 -0.708 1.00 0.00 H new ATOM 0 HD2 PHE A 161 -2.785 -1.846 -2.733 1.00 0.00 H new ATOM 0 HE1 PHE A 161 -1.318 -4.586 1.081 1.00 0.00 H new ATOM 0 HE2 PHE A 161 -1.431 -0.838 -0.948 1.00 0.00 H new ATOM 0 HZ PHE A 161 -0.701 -2.205 0.966 1.00 0.00 H new ATOM 854 N TYR A 162 -5.610 -3.717 -0.358 1.00 0.00 N ATOM 855 CA TYR A 162 -6.051 -2.706 0.596 1.00 0.00 C ATOM 856 C TYR A 162 -5.082 -2.605 1.770 1.00 0.00 C ATOM 857 O TYR A 162 -4.835 -3.586 2.472 1.00 0.00 O ATOM 858 CB TYR A 162 -7.455 -3.034 1.106 1.00 0.00 C ATOM 859 CG TYR A 162 -8.536 -2.851 0.064 1.00 0.00 C ATOM 860 CD1 TYR A 162 -8.933 -1.582 -0.338 1.00 0.00 C ATOM 861 CD2 TYR A 162 -9.159 -3.948 -0.518 1.00 0.00 C ATOM 862 CE1 TYR A 162 -9.920 -1.410 -1.289 1.00 0.00 C ATOM 863 CE2 TYR A 162 -10.147 -3.786 -1.471 1.00 0.00 C ATOM 864 CZ TYR A 162 -10.524 -2.515 -1.852 1.00 0.00 C ATOM 865 OH TYR A 162 -11.507 -2.349 -2.801 1.00 0.00 O ATOM 0 H TYR A 162 -5.328 -4.601 0.065 1.00 0.00 H new ATOM 0 HA TYR A 162 -6.073 -1.744 0.083 1.00 0.00 H new ATOM 0 HB2 TYR A 162 -7.473 -4.065 1.458 1.00 0.00 H new ATOM 0 HB3 TYR A 162 -7.678 -2.400 1.964 1.00 0.00 H new ATOM 0 HD1 TYR A 162 -8.462 -0.715 0.101 1.00 0.00 H new ATOM 0 HD2 TYR A 162 -8.866 -4.944 -0.221 1.00 0.00 H new ATOM 0 HE1 TYR A 162 -10.217 -0.416 -1.590 1.00 0.00 H new ATOM 0 HE2 TYR A 162 -10.621 -4.649 -1.915 1.00 0.00 H new ATOM 0 HH TYR A 162 -11.828 -3.227 -3.097 1.00 0.00 H new ATOM 875 N CYS A 163 -4.536 -1.412 1.978 1.00 0.00 N ATOM 876 CA CYS A 163 -3.594 -1.180 3.066 1.00 0.00 C ATOM 877 C CYS A 163 -4.217 -1.543 4.411 1.00 0.00 C ATOM 878 O CYS A 163 -5.345 -2.030 4.472 1.00 0.00 O ATOM 879 CB CYS A 163 -3.146 0.283 3.077 1.00 0.00 C ATOM 880 SG CYS A 163 -4.378 1.433 3.766 1.00 0.00 S ATOM 0 H CYS A 163 -4.730 -0.590 1.406 1.00 0.00 H new ATOM 0 HA CYS A 163 -2.725 -1.818 2.904 1.00 0.00 H new ATOM 0 HB2 CYS A 163 -2.225 0.365 3.654 1.00 0.00 H new ATOM 0 HB3 CYS A 163 -2.911 0.587 2.057 1.00 0.00 H new ATOM 885 N GLU A 164 -3.473 -1.301 5.486 1.00 0.00 N ATOM 886 CA GLU A 164 -3.952 -1.602 6.829 1.00 0.00 C ATOM 887 C GLU A 164 -5.221 -0.815 7.144 1.00 0.00 C ATOM 888 O GLU A 164 -6.199 -1.368 7.648 1.00 0.00 O ATOM 889 CB GLU A 164 -2.871 -1.284 7.864 1.00 0.00 C ATOM 890 CG GLU A 164 -2.342 0.138 7.774 1.00 0.00 C ATOM 891 CD GLU A 164 -1.117 0.360 8.639 1.00 0.00 C ATOM 892 OE1 GLU A 164 0.008 0.133 8.146 1.00 0.00 O ATOM 893 OE2 GLU A 164 -1.283 0.762 9.810 1.00 0.00 O ATOM 0 H GLU A 164 -2.537 -0.898 5.452 1.00 0.00 H new ATOM 0 HA GLU A 164 -4.185 -2.666 6.873 1.00 0.00 H new ATOM 0 HB2 GLU A 164 -3.276 -1.450 8.862 1.00 0.00 H new ATOM 0 HB3 GLU A 164 -2.042 -1.980 7.737 1.00 0.00 H new ATOM 0 HG2 GLU A 164 -2.096 0.365 6.737 1.00 0.00 H new ATOM 0 HG3 GLU A 164 -3.126 0.833 8.075 1.00 0.00 H new ATOM 900 N LEU A 165 -5.196 0.479 6.845 1.00 0.00 N ATOM 901 CA LEU A 165 -6.343 1.345 7.096 1.00 0.00 C ATOM 902 C LEU A 165 -7.612 0.759 6.484 1.00 0.00 C ATOM 903 O LEU A 165 -8.587 0.493 7.187 1.00 0.00 O ATOM 904 CB LEU A 165 -6.087 2.742 6.527 1.00 0.00 C ATOM 905 CG LEU A 165 -4.715 3.347 6.826 1.00 0.00 C ATOM 906 CD1 LEU A 165 -4.639 4.776 6.311 1.00 0.00 C ATOM 907 CD2 LEU A 165 -4.425 3.299 8.319 1.00 0.00 C ATOM 0 H LEU A 165 -4.394 0.952 6.428 1.00 0.00 H new ATOM 0 HA LEU A 165 -6.482 1.419 8.175 1.00 0.00 H new ATOM 0 HB2 LEU A 165 -6.216 2.701 5.445 1.00 0.00 H new ATOM 0 HB3 LEU A 165 -6.851 3.416 6.914 1.00 0.00 H new ATOM 0 HG LEU A 165 -3.958 2.756 6.311 1.00 0.00 H new ATOM 0 HD11 LEU A 165 -3.656 5.191 6.533 1.00 0.00 H new ATOM 0 HD12 LEU A 165 -4.802 4.783 5.233 1.00 0.00 H new ATOM 0 HD13 LEU A 165 -5.405 5.379 6.798 1.00 0.00 H new ATOM 0 HD21 LEU A 165 -3.445 3.734 8.513 1.00 0.00 H new ATOM 0 HD22 LEU A 165 -5.186 3.865 8.856 1.00 0.00 H new ATOM 0 HD23 LEU A 165 -4.437 2.263 8.659 1.00 0.00 H new ATOM 919 N CYS A 166 -7.590 0.557 5.171 1.00 0.00 N ATOM 920 CA CYS A 166 -8.737 0.000 4.464 1.00 0.00 C ATOM 921 C CYS A 166 -8.991 -1.443 4.890 1.00 0.00 C ATOM 922 O CYS A 166 -10.117 -1.935 4.814 1.00 0.00 O ATOM 923 CB CYS A 166 -8.511 0.065 2.952 1.00 0.00 C ATOM 924 SG CYS A 166 -8.197 1.744 2.319 1.00 0.00 S ATOM 0 H CYS A 166 -6.790 0.771 4.575 1.00 0.00 H new ATOM 0 HA CYS A 166 -9.614 0.595 4.720 1.00 0.00 H new ATOM 0 HB2 CYS A 166 -7.666 -0.573 2.694 1.00 0.00 H new ATOM 0 HB3 CYS A 166 -9.386 -0.345 2.447 1.00 0.00 H new ATOM 929 N ARG A 167 -7.936 -2.116 5.338 1.00 0.00 N ATOM 930 CA ARG A 167 -8.044 -3.503 5.775 1.00 0.00 C ATOM 931 C ARG A 167 -8.887 -3.609 7.042 1.00 0.00 C ATOM 932 O ARG A 167 -9.810 -4.421 7.120 1.00 0.00 O ATOM 933 CB ARG A 167 -6.654 -4.091 6.024 1.00 0.00 C ATOM 934 CG ARG A 167 -6.078 -4.821 4.822 1.00 0.00 C ATOM 935 CD ARG A 167 -5.944 -6.312 5.088 1.00 0.00 C ATOM 936 NE ARG A 167 -4.606 -6.667 5.553 1.00 0.00 N ATOM 937 CZ ARG A 167 -4.230 -7.911 5.828 1.00 0.00 C ATOM 938 NH1 ARG A 167 -5.085 -8.914 5.684 1.00 0.00 N ATOM 939 NH2 ARG A 167 -2.994 -8.155 6.247 1.00 0.00 N ATOM 0 H ARG A 167 -6.997 -1.723 5.408 1.00 0.00 H new ATOM 0 HA ARG A 167 -8.535 -4.070 4.984 1.00 0.00 H new ATOM 0 HB2 ARG A 167 -5.975 -3.288 6.311 1.00 0.00 H new ATOM 0 HB3 ARG A 167 -6.706 -4.780 6.867 1.00 0.00 H new ATOM 0 HG2 ARG A 167 -6.720 -4.661 3.956 1.00 0.00 H new ATOM 0 HG3 ARG A 167 -5.101 -4.405 4.576 1.00 0.00 H new ATOM 0 HD2 ARG A 167 -6.679 -6.615 5.834 1.00 0.00 H new ATOM 0 HD3 ARG A 167 -6.169 -6.865 4.176 1.00 0.00 H new ATOM 0 HE ARG A 167 -3.923 -5.919 5.673 1.00 0.00 H new ATOM 0 HH11 ARG A 167 -6.035 -8.732 5.361 1.00 0.00 H new ATOM 0 HH12 ARG A 167 -4.793 -9.868 5.896 1.00 0.00 H new ATOM 0 HH21 ARG A 167 -2.332 -7.387 6.358 1.00 0.00 H new ATOM 0 HH22 ARG A 167 -2.706 -9.111 6.458 1.00 0.00 H new ATOM 953 N LEU A 168 -8.564 -2.785 8.033 1.00 0.00 N ATOM 954 CA LEU A 168 -9.291 -2.786 9.297 1.00 0.00 C ATOM 955 C LEU A 168 -10.650 -2.110 9.145 1.00 0.00 C ATOM 956 O LEU A 168 -11.609 -2.458 9.834 1.00 0.00 O ATOM 957 CB LEU A 168 -8.474 -2.078 10.379 1.00 0.00 C ATOM 958 CG LEU A 168 -7.491 -2.952 11.158 1.00 0.00 C ATOM 959 CD1 LEU A 168 -6.533 -2.089 11.966 1.00 0.00 C ATOM 960 CD2 LEU A 168 -8.238 -3.916 12.067 1.00 0.00 C ATOM 0 H LEU A 168 -7.803 -2.108 7.985 1.00 0.00 H new ATOM 0 HA LEU A 168 -9.453 -3.822 9.593 1.00 0.00 H new ATOM 0 HB2 LEU A 168 -7.916 -1.266 9.912 1.00 0.00 H new ATOM 0 HB3 LEU A 168 -9.165 -1.623 11.088 1.00 0.00 H new ATOM 0 HG LEU A 168 -6.909 -3.535 10.444 1.00 0.00 H new ATOM 0 HD11 LEU A 168 -5.841 -2.729 12.514 1.00 0.00 H new ATOM 0 HD12 LEU A 168 -5.972 -1.440 11.293 1.00 0.00 H new ATOM 0 HD13 LEU A 168 -7.099 -1.479 12.671 1.00 0.00 H new ATOM 0 HD21 LEU A 168 -7.522 -4.530 12.613 1.00 0.00 H new ATOM 0 HD22 LEU A 168 -8.846 -3.352 12.774 1.00 0.00 H new ATOM 0 HD23 LEU A 168 -8.882 -4.558 11.466 1.00 0.00 H new ATOM 972 N SER A 169 -10.724 -1.142 8.237 1.00 0.00 N ATOM 973 CA SER A 169 -11.965 -0.415 7.995 1.00 0.00 C ATOM 974 C SER A 169 -12.956 -1.275 7.217 1.00 0.00 C ATOM 975 O SER A 169 -14.169 -1.147 7.382 1.00 0.00 O ATOM 976 CB SER A 169 -11.682 0.878 7.228 1.00 0.00 C ATOM 977 OG SER A 169 -12.883 1.574 6.941 1.00 0.00 O ATOM 0 H SER A 169 -9.940 -0.843 7.657 1.00 0.00 H new ATOM 0 HA SER A 169 -12.406 -0.167 8.960 1.00 0.00 H new ATOM 0 HB2 SER A 169 -11.020 1.515 7.815 1.00 0.00 H new ATOM 0 HB3 SER A 169 -11.161 0.647 6.299 1.00 0.00 H new ATOM 0 HG SER A 169 -12.675 2.397 6.452 1.00 0.00 H new ATOM 983 N ARG A 170 -12.429 -2.152 6.368 1.00 0.00 N ATOM 984 CA ARG A 170 -13.266 -3.033 5.562 1.00 0.00 C ATOM 985 C ARG A 170 -13.463 -4.378 6.255 1.00 0.00 C ATOM 986 O ARG A 170 -14.433 -5.087 5.990 1.00 0.00 O ATOM 987 CB ARG A 170 -12.640 -3.244 4.183 1.00 0.00 C ATOM 988 CG ARG A 170 -12.608 -1.987 3.329 1.00 0.00 C ATOM 989 CD ARG A 170 -11.618 -2.118 2.182 1.00 0.00 C ATOM 990 NE ARG A 170 -11.848 -1.117 1.144 1.00 0.00 N ATOM 991 CZ ARG A 170 -12.858 -1.169 0.283 1.00 0.00 C ATOM 992 NH1 ARG A 170 -13.728 -2.168 0.337 1.00 0.00 N ATOM 993 NH2 ARG A 170 -13.001 -0.220 -0.633 1.00 0.00 N ATOM 0 H ARG A 170 -11.427 -2.271 6.221 1.00 0.00 H new ATOM 0 HA ARG A 170 -14.240 -2.559 5.442 1.00 0.00 H new ATOM 0 HB2 ARG A 170 -11.622 -3.614 4.308 1.00 0.00 H new ATOM 0 HB3 ARG A 170 -13.198 -4.018 3.655 1.00 0.00 H new ATOM 0 HG2 ARG A 170 -13.604 -1.791 2.931 1.00 0.00 H new ATOM 0 HG3 ARG A 170 -12.338 -1.132 3.948 1.00 0.00 H new ATOM 0 HD2 ARG A 170 -10.603 -2.016 2.566 1.00 0.00 H new ATOM 0 HD3 ARG A 170 -11.696 -3.115 1.748 1.00 0.00 H new ATOM 0 HE ARG A 170 -11.197 -0.335 1.076 1.00 0.00 H new ATOM 0 HH11 ARG A 170 -13.622 -2.899 1.041 1.00 0.00 H new ATOM 0 HH12 ARG A 170 -14.503 -2.206 -0.325 1.00 0.00 H new ATOM 0 HH21 ARG A 170 -12.335 0.551 -0.677 1.00 0.00 H new ATOM 0 HH22 ARG A 170 -13.777 -0.261 -1.293 1.00 0.00 H new ATOM 1007 N ALA A 171 -12.536 -4.722 7.143 1.00 0.00 N ATOM 1008 CA ALA A 171 -12.609 -5.981 7.874 1.00 0.00 C ATOM 1009 C ALA A 171 -12.575 -7.172 6.923 1.00 0.00 C ATOM 1010 O ALA A 171 -13.177 -8.211 7.192 1.00 0.00 O ATOM 1011 CB ALA A 171 -13.867 -6.022 8.730 1.00 0.00 C ATOM 0 H ALA A 171 -11.726 -4.147 7.373 1.00 0.00 H new ATOM 0 HA ALA A 171 -11.737 -6.045 8.525 1.00 0.00 H new ATOM 0 HB1 ALA A 171 -13.909 -6.968 9.270 1.00 0.00 H new ATOM 0 HB2 ALA A 171 -13.849 -5.197 9.443 1.00 0.00 H new ATOM 0 HB3 ALA A 171 -14.745 -5.930 8.091 1.00 0.00 H new ATOM 1017 N ASP A 172 -11.868 -7.013 5.809 1.00 0.00 N ATOM 1018 CA ASP A 172 -11.755 -8.076 4.817 1.00 0.00 C ATOM 1019 C ASP A 172 -10.299 -8.296 4.420 1.00 0.00 C ATOM 1020 O ASP A 172 -9.406 -7.978 5.204 1.00 0.00 O ATOM 1021 CB ASP A 172 -12.589 -7.739 3.580 1.00 0.00 C ATOM 1022 CG ASP A 172 -14.079 -7.835 3.842 1.00 0.00 C ATOM 1023 OD1 ASP A 172 -14.513 -8.846 4.433 1.00 0.00 O ATOM 1024 OD2 ASP A 172 -14.811 -6.900 3.457 1.00 0.00 O ATOM 0 H ASP A 172 -11.365 -6.158 5.571 1.00 0.00 H new ATOM 0 HA ASP A 172 -12.134 -8.996 5.261 1.00 0.00 H new ATOM 0 HB2 ASP A 172 -12.346 -6.730 3.246 1.00 0.00 H new ATOM 0 HB3 ASP A 172 -12.321 -8.417 2.769 1.00 0.00 H new TER 1029 ASP A 172 HETATM 1030 ZN ZN A 901 7.980 -3.010 2.301 1.00 0.00 ZN HETATM 1031 ZN ZN A 902 -5.825 1.980 1.865 1.00 0.00 ZN