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 :FLIP amide:sc= -0.741 F(o=-1.9,f=-1.4) USER MOD Set 1.2: A 137 GLN : amide:sc= -0.696 K(o=-1.4,f=-4.8!) USER MOD Set 2.1: A 125 ASN : amide:sc= -4.18! C(o=-5.5!,f=-8.1!) USER MOD Set 2.2: A 128 MET CE :methyl 176:sc= -1.34 (180deg=-1.48) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= 0.00404 USER MOD Single : A 110 GLN :FLIP amide:sc= -0.0959 F(o=-0.85,f=-0.096) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 SER OG : rot -51:sc= 0.957 USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 122 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 134 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 140 GLN : amide:sc= -1.37 K(o=-1.4,f=-2.8!) USER MOD Single : A 143 ASN : amide:sc= -0.407 X(o=-0.41,f=-0.026) 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 180:sc= 0.0206 USER MOD Single : A 169 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 105 10.283 13.704 7.045 1.00 0.00 N ATOM 2 CA GLY A 105 10.715 13.898 5.673 1.00 0.00 C ATOM 3 C GLY A 105 9.586 13.715 4.679 1.00 0.00 C ATOM 4 O GLY A 105 9.585 12.763 3.898 1.00 0.00 O ATOM 0 HA2 GLY A 105 11.132 14.899 5.565 1.00 0.00 H new ATOM 0 HA3 GLY A 105 11.515 13.193 5.444 1.00 0.00 H new ATOM 8 N SER A 106 8.620 14.628 4.707 1.00 0.00 N ATOM 9 CA SER A 106 7.477 14.559 3.805 1.00 0.00 C ATOM 10 C SER A 106 7.706 15.426 2.570 1.00 0.00 C ATOM 11 O SER A 106 6.870 16.259 2.219 1.00 0.00 O ATOM 12 CB SER A 106 6.203 15.005 4.526 1.00 0.00 C ATOM 13 OG SER A 106 6.336 16.325 5.025 1.00 0.00 O ATOM 0 H SER A 106 8.607 15.424 5.345 1.00 0.00 H new ATOM 0 HA SER A 106 7.361 13.524 3.484 1.00 0.00 H new ATOM 0 HB2 SER A 106 5.357 14.955 3.841 1.00 0.00 H new ATOM 0 HB3 SER A 106 5.988 14.322 5.348 1.00 0.00 H new ATOM 0 HG SER A 106 5.509 16.588 5.480 1.00 0.00 H new ATOM 19 N ASP A 107 8.844 15.223 1.916 1.00 0.00 N ATOM 20 CA ASP A 107 9.185 15.985 0.720 1.00 0.00 C ATOM 21 C ASP A 107 8.811 15.212 -0.541 1.00 0.00 C ATOM 22 O ASP A 107 8.541 15.803 -1.586 1.00 0.00 O ATOM 23 CB ASP A 107 10.678 16.315 0.707 1.00 0.00 C ATOM 24 CG ASP A 107 10.949 17.759 0.337 1.00 0.00 C ATOM 25 OD1 ASP A 107 10.620 18.652 1.146 1.00 0.00 O ATOM 26 OD2 ASP A 107 11.491 17.998 -0.762 1.00 0.00 O ATOM 0 H ASP A 107 9.546 14.537 2.194 1.00 0.00 H new ATOM 0 HA ASP A 107 8.616 16.915 0.737 1.00 0.00 H new ATOM 0 HB2 ASP A 107 11.101 16.110 1.690 1.00 0.00 H new ATOM 0 HB3 ASP A 107 11.186 15.660 -0.001 1.00 0.00 H new ATOM 31 N SER A 108 8.798 13.887 -0.435 1.00 0.00 N ATOM 32 CA SER A 108 8.462 13.033 -1.568 1.00 0.00 C ATOM 33 C SER A 108 7.128 12.329 -1.341 1.00 0.00 C ATOM 34 O SER A 108 6.871 11.263 -1.902 1.00 0.00 O ATOM 35 CB SER A 108 9.565 11.998 -1.798 1.00 0.00 C ATOM 36 OG SER A 108 10.139 11.583 -0.570 1.00 0.00 O ATOM 0 H SER A 108 9.016 13.382 0.424 1.00 0.00 H new ATOM 0 HA SER A 108 8.374 13.663 -2.453 1.00 0.00 H new ATOM 0 HB2 SER A 108 9.154 11.135 -2.321 1.00 0.00 H new ATOM 0 HB3 SER A 108 10.338 12.422 -2.439 1.00 0.00 H new ATOM 0 HG SER A 108 10.840 10.920 -0.744 1.00 0.00 H new ATOM 42 N PHE A 109 6.281 12.932 -0.513 1.00 0.00 N ATOM 43 CA PHE A 109 4.973 12.363 -0.210 1.00 0.00 C ATOM 44 C PHE A 109 3.889 13.003 -1.072 1.00 0.00 C ATOM 45 O PHE A 109 3.320 14.032 -0.709 1.00 0.00 O ATOM 46 CB PHE A 109 4.641 12.555 1.272 1.00 0.00 C ATOM 47 CG PHE A 109 5.133 11.436 2.146 1.00 0.00 C ATOM 48 CD1 PHE A 109 6.418 10.939 2.000 1.00 0.00 C ATOM 49 CD2 PHE A 109 4.310 10.883 3.113 1.00 0.00 C ATOM 50 CE1 PHE A 109 6.872 9.909 2.802 1.00 0.00 C ATOM 51 CE2 PHE A 109 4.759 9.853 3.919 1.00 0.00 C ATOM 52 CZ PHE A 109 6.042 9.366 3.763 1.00 0.00 C ATOM 0 H PHE A 109 6.477 13.814 -0.040 1.00 0.00 H new ATOM 0 HA PHE A 109 5.008 11.297 -0.433 1.00 0.00 H new ATOM 0 HB2 PHE A 109 5.078 13.493 1.616 1.00 0.00 H new ATOM 0 HB3 PHE A 109 3.561 12.646 1.385 1.00 0.00 H new ATOM 0 HD1 PHE A 109 7.072 11.361 1.251 1.00 0.00 H new ATOM 0 HD2 PHE A 109 3.306 11.261 3.239 1.00 0.00 H new ATOM 0 HE1 PHE A 109 7.875 9.529 2.677 1.00 0.00 H new ATOM 0 HE2 PHE A 109 4.107 9.430 4.669 1.00 0.00 H new ATOM 0 HZ PHE A 109 6.396 8.562 4.391 1.00 0.00 H new ATOM 62 N GLN A 110 3.609 12.385 -2.215 1.00 0.00 N ATOM 63 CA GLN A 110 2.595 12.895 -3.130 1.00 0.00 C ATOM 64 C GLN A 110 1.195 12.689 -2.560 1.00 0.00 C ATOM 65 O GLN A 110 0.952 11.790 -1.755 1.00 0.00 O ATOM 66 CB GLN A 110 2.711 12.204 -4.490 1.00 0.00 C ATOM 67 CG GLN A 110 4.061 12.403 -5.160 1.00 0.00 C ATOM 68 CD GLN A 110 4.226 13.795 -5.738 1.00 0.00 C ATOM 69 OE1 GLN A 110 4.446 14.775 -4.869 1.00 0.00 O flip ATOM 70 NE2 GLN A 110 4.157 13.988 -6.952 1.00 0.00 N flip ATOM 0 H GLN A 110 4.070 11.531 -2.529 1.00 0.00 H new ATOM 0 HA GLN A 110 2.762 13.964 -3.258 1.00 0.00 H new ATOM 0 HB2 GLN A 110 2.532 11.136 -4.362 1.00 0.00 H new ATOM 0 HB3 GLN A 110 1.929 12.582 -5.148 1.00 0.00 H new ATOM 0 HG2 GLN A 110 4.853 12.219 -4.434 1.00 0.00 H new ATOM 0 HG3 GLN A 110 4.180 11.667 -5.955 1.00 0.00 H new ATOM 0 HE21 GLN A 110 3.986 13.206 -7.584 1.00 0.00 H new ATOM 0 HE22 GLN A 110 4.270 14.930 -7.326 1.00 0.00 H new ATOM 79 N PRO A 111 0.251 13.542 -2.985 1.00 0.00 N ATOM 80 CA PRO A 111 -1.141 13.473 -2.530 1.00 0.00 C ATOM 81 C PRO A 111 -1.867 12.246 -3.069 1.00 0.00 C ATOM 82 O PRO A 111 -2.856 11.796 -2.491 1.00 0.00 O ATOM 83 CB PRO A 111 -1.762 14.753 -3.094 1.00 0.00 C ATOM 84 CG PRO A 111 -0.925 15.090 -4.280 1.00 0.00 C ATOM 85 CD PRO A 111 0.469 14.638 -3.944 1.00 0.00 C ATOM 0 HA PRO A 111 -1.212 13.391 -1.445 1.00 0.00 H new ATOM 0 HB2 PRO A 111 -2.803 14.597 -3.376 1.00 0.00 H new ATOM 0 HB3 PRO A 111 -1.748 15.557 -2.358 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -1.294 14.587 -5.174 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -0.950 16.160 -4.484 1.00 0.00 H new ATOM 0 HD2 PRO A 111 1.005 14.296 -4.830 1.00 0.00 H new ATOM 0 HD3 PRO A 111 1.058 15.444 -3.506 1.00 0.00 H new ATOM 93 N GLU A 112 -1.370 11.710 -4.179 1.00 0.00 N ATOM 94 CA GLU A 112 -1.974 10.534 -4.795 1.00 0.00 C ATOM 95 C GLU A 112 -1.004 9.356 -4.785 1.00 0.00 C ATOM 96 O GLU A 112 -1.413 8.201 -4.904 1.00 0.00 O ATOM 97 CB GLU A 112 -2.400 10.845 -6.232 1.00 0.00 C ATOM 98 CG GLU A 112 -3.843 11.306 -6.352 1.00 0.00 C ATOM 99 CD GLU A 112 -3.959 12.769 -6.733 1.00 0.00 C ATOM 100 OE1 GLU A 112 -3.891 13.076 -7.941 1.00 0.00 O ATOM 101 OE2 GLU A 112 -4.118 13.608 -5.821 1.00 0.00 O ATOM 0 H GLU A 112 -0.552 12.071 -4.670 1.00 0.00 H new ATOM 0 HA GLU A 112 -2.855 10.263 -4.213 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -1.746 11.617 -6.637 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -2.260 9.954 -6.845 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -4.353 10.698 -7.099 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -4.353 11.140 -5.403 1.00 0.00 H new ATOM 108 N ALA A 113 0.282 9.657 -4.641 1.00 0.00 N ATOM 109 CA ALA A 113 1.310 8.624 -4.613 1.00 0.00 C ATOM 110 C ALA A 113 2.069 8.641 -3.291 1.00 0.00 C ATOM 111 O ALA A 113 3.129 9.258 -3.179 1.00 0.00 O ATOM 112 CB ALA A 113 2.271 8.805 -5.779 1.00 0.00 C ATOM 0 H ALA A 113 0.637 10.608 -4.542 1.00 0.00 H new ATOM 0 HA ALA A 113 0.820 7.655 -4.707 1.00 0.00 H new ATOM 0 HB1 ALA A 113 3.034 8.027 -5.746 1.00 0.00 H new ATOM 0 HB2 ALA A 113 1.721 8.735 -6.718 1.00 0.00 H new ATOM 0 HB3 ALA A 113 2.747 9.783 -5.710 1.00 0.00 H new ATOM 118 N LYS A 114 1.521 7.959 -2.291 1.00 0.00 N ATOM 119 CA LYS A 114 2.146 7.895 -0.975 1.00 0.00 C ATOM 120 C LYS A 114 2.523 6.459 -0.622 1.00 0.00 C ATOM 121 O LYS A 114 1.655 5.625 -0.364 1.00 0.00 O ATOM 122 CB LYS A 114 1.204 8.463 0.088 1.00 0.00 C ATOM 123 CG LYS A 114 1.680 8.225 1.511 1.00 0.00 C ATOM 124 CD LYS A 114 0.983 9.152 2.494 1.00 0.00 C ATOM 125 CE LYS A 114 0.215 8.370 3.548 1.00 0.00 C ATOM 126 NZ LYS A 114 -0.823 9.206 4.212 1.00 0.00 N ATOM 0 H LYS A 114 0.645 7.442 -2.367 1.00 0.00 H new ATOM 0 HA LYS A 114 3.056 8.495 -1.002 1.00 0.00 H new ATOM 0 HB2 LYS A 114 1.091 9.535 -0.074 1.00 0.00 H new ATOM 0 HB3 LYS A 114 0.218 8.016 -0.036 1.00 0.00 H new ATOM 0 HG2 LYS A 114 1.491 7.188 1.790 1.00 0.00 H new ATOM 0 HG3 LYS A 114 2.758 8.379 1.566 1.00 0.00 H new ATOM 0 HD2 LYS A 114 1.721 9.791 2.979 1.00 0.00 H new ATOM 0 HD3 LYS A 114 0.299 9.808 1.955 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -0.258 7.504 3.085 1.00 0.00 H new ATOM 0 HE3 LYS A 114 0.910 7.991 4.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -1.324 8.637 4.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -0.370 10.019 4.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -1.501 9.547 3.501 1.00 0.00 H new ATOM 140 N VAL A 115 3.822 6.179 -0.610 1.00 0.00 N ATOM 141 CA VAL A 115 4.313 4.845 -0.285 1.00 0.00 C ATOM 142 C VAL A 115 4.360 4.628 1.223 1.00 0.00 C ATOM 143 O VAL A 115 5.240 5.150 1.908 1.00 0.00 O ATOM 144 CB VAL A 115 5.718 4.606 -0.871 1.00 0.00 C ATOM 145 CG1 VAL A 115 6.120 3.148 -0.716 1.00 0.00 C ATOM 146 CG2 VAL A 115 5.765 5.028 -2.332 1.00 0.00 C ATOM 0 H VAL A 115 4.553 6.858 -0.822 1.00 0.00 H new ATOM 0 HA VAL A 115 3.616 4.135 -0.729 1.00 0.00 H new ATOM 0 HB VAL A 115 6.432 5.216 -0.317 1.00 0.00 H new ATOM 0 HG11 VAL A 115 7.115 2.998 -1.135 1.00 0.00 H new ATOM 0 HG12 VAL A 115 6.128 2.883 0.341 1.00 0.00 H new ATOM 0 HG13 VAL A 115 5.405 2.516 -1.243 1.00 0.00 H new ATOM 0 HG21 VAL A 115 6.765 4.852 -2.730 1.00 0.00 H new ATOM 0 HG22 VAL A 115 5.040 4.447 -2.902 1.00 0.00 H new ATOM 0 HG23 VAL A 115 5.524 6.088 -2.413 1.00 0.00 H new ATOM 156 N ARG A 116 3.407 3.856 1.734 1.00 0.00 N ATOM 157 CA ARG A 116 3.338 3.571 3.162 1.00 0.00 C ATOM 158 C ARG A 116 3.333 2.066 3.416 1.00 0.00 C ATOM 159 O ARG A 116 2.277 1.432 3.430 1.00 0.00 O ATOM 160 CB ARG A 116 2.087 4.206 3.771 1.00 0.00 C ATOM 161 CG ARG A 116 2.384 5.399 4.666 1.00 0.00 C ATOM 162 CD ARG A 116 2.610 4.971 6.108 1.00 0.00 C ATOM 163 NE ARG A 116 2.305 6.044 7.051 1.00 0.00 N ATOM 164 CZ ARG A 116 2.156 5.854 8.357 1.00 0.00 C ATOM 165 NH1 ARG A 116 2.285 4.639 8.872 1.00 0.00 N ATOM 166 NH2 ARG A 116 1.879 6.880 9.151 1.00 0.00 N ATOM 0 H ARG A 116 2.672 3.417 1.180 1.00 0.00 H new ATOM 0 HA ARG A 116 4.221 3.999 3.636 1.00 0.00 H new ATOM 0 HB2 ARG A 116 1.422 4.522 2.967 1.00 0.00 H new ATOM 0 HB3 ARG A 116 1.552 3.453 4.349 1.00 0.00 H new ATOM 0 HG2 ARG A 116 3.267 5.921 4.297 1.00 0.00 H new ATOM 0 HG3 ARG A 116 1.555 6.105 4.620 1.00 0.00 H new ATOM 0 HD2 ARG A 116 1.987 4.105 6.331 1.00 0.00 H new ATOM 0 HD3 ARG A 116 3.647 4.660 6.236 1.00 0.00 H new ATOM 0 HE ARG A 116 2.201 6.991 6.687 1.00 0.00 H new ATOM 0 HH11 ARG A 116 2.499 3.848 8.265 1.00 0.00 H new ATOM 0 HH12 ARG A 116 2.170 4.496 9.875 1.00 0.00 H new ATOM 0 HH21 ARG A 116 1.780 7.816 8.759 1.00 0.00 H new ATOM 0 HH22 ARG A 116 1.765 6.733 10.154 1.00 0.00 H new ATOM 180 N CYS A 117 4.518 1.501 3.616 1.00 0.00 N ATOM 181 CA CYS A 117 4.651 0.071 3.869 1.00 0.00 C ATOM 182 C CYS A 117 5.027 -0.191 5.325 1.00 0.00 C ATOM 183 O CYS A 117 5.569 0.682 6.003 1.00 0.00 O ATOM 184 CB CYS A 117 5.706 -0.536 2.941 1.00 0.00 C ATOM 185 SG CYS A 117 5.648 -2.354 2.839 1.00 0.00 S ATOM 0 H CYS A 117 5.401 2.011 3.608 1.00 0.00 H new ATOM 0 HA CYS A 117 3.688 -0.399 3.670 1.00 0.00 H new ATOM 0 HB2 CYS A 117 5.576 -0.122 1.941 1.00 0.00 H new ATOM 0 HB3 CYS A 117 6.695 -0.233 3.285 1.00 0.00 H new ATOM 190 N ILE A 118 4.736 -1.399 5.797 1.00 0.00 N ATOM 191 CA ILE A 118 5.044 -1.777 7.170 1.00 0.00 C ATOM 192 C ILE A 118 6.539 -1.659 7.450 1.00 0.00 C ATOM 193 O ILE A 118 6.958 -1.541 8.602 1.00 0.00 O ATOM 194 CB ILE A 118 4.588 -3.216 7.474 1.00 0.00 C ATOM 195 CG1 ILE A 118 5.221 -4.195 6.484 1.00 0.00 C ATOM 196 CG2 ILE A 118 3.070 -3.312 7.425 1.00 0.00 C ATOM 197 CD1 ILE A 118 5.060 -5.646 6.882 1.00 0.00 C ATOM 0 H ILE A 118 4.287 -2.132 5.248 1.00 0.00 H new ATOM 0 HA ILE A 118 4.500 -1.089 7.817 1.00 0.00 H new ATOM 0 HB ILE A 118 4.917 -3.481 8.479 1.00 0.00 H new ATOM 0 HG12 ILE A 118 4.775 -4.045 5.501 1.00 0.00 H new ATOM 0 HG13 ILE A 118 6.283 -3.968 6.390 1.00 0.00 H new ATOM 0 HG21 ILE A 118 2.763 -4.335 7.642 1.00 0.00 H new ATOM 0 HG22 ILE A 118 2.639 -2.639 8.166 1.00 0.00 H new ATOM 0 HG23 ILE A 118 2.720 -3.031 6.432 1.00 0.00 H new ATOM 0 HD11 ILE A 118 5.533 -6.283 6.134 1.00 0.00 H new ATOM 0 HD12 ILE A 118 5.531 -5.812 7.851 1.00 0.00 H new ATOM 0 HD13 ILE A 118 4.000 -5.890 6.948 1.00 0.00 H new ATOM 209 N CYS A 119 7.338 -1.691 6.389 1.00 0.00 N ATOM 210 CA CYS A 119 8.786 -1.587 6.519 1.00 0.00 C ATOM 211 C CYS A 119 9.224 -0.126 6.577 1.00 0.00 C ATOM 212 O CYS A 119 10.407 0.173 6.740 1.00 0.00 O ATOM 213 CB CYS A 119 9.476 -2.291 5.349 1.00 0.00 C ATOM 214 SG CYS A 119 9.123 -1.551 3.723 1.00 0.00 S ATOM 0 H CYS A 119 7.007 -1.788 5.429 1.00 0.00 H new ATOM 0 HA CYS A 119 9.078 -2.073 7.450 1.00 0.00 H new ATOM 0 HB2 CYS A 119 10.553 -2.279 5.516 1.00 0.00 H new ATOM 0 HB3 CYS A 119 9.168 -3.336 5.335 1.00 0.00 H new ATOM 219 N SER A 120 8.260 0.780 6.443 1.00 0.00 N ATOM 220 CA SER A 120 8.546 2.210 6.477 1.00 0.00 C ATOM 221 C SER A 120 9.611 2.576 5.448 1.00 0.00 C ATOM 222 O SER A 120 10.458 3.434 5.693 1.00 0.00 O ATOM 223 CB SER A 120 9.007 2.627 7.875 1.00 0.00 C ATOM 224 OG SER A 120 10.393 2.389 8.047 1.00 0.00 O ATOM 0 H SER A 120 7.275 0.549 6.310 1.00 0.00 H new ATOM 0 HA SER A 120 7.628 2.744 6.230 1.00 0.00 H new ATOM 0 HB2 SER A 120 8.794 3.685 8.031 1.00 0.00 H new ATOM 0 HB3 SER A 120 8.444 2.074 8.627 1.00 0.00 H new ATOM 0 HG SER A 120 10.600 1.465 7.795 1.00 0.00 H new ATOM 230 N SER A 121 9.562 1.917 4.294 1.00 0.00 N ATOM 231 CA SER A 121 10.524 2.169 3.228 1.00 0.00 C ATOM 232 C SER A 121 9.813 2.555 1.935 1.00 0.00 C ATOM 233 O SER A 121 9.067 1.761 1.360 1.00 0.00 O ATOM 234 CB SER A 121 11.394 0.932 2.995 1.00 0.00 C ATOM 235 OG SER A 121 12.589 1.270 2.313 1.00 0.00 O ATOM 0 H SER A 121 8.866 1.205 4.074 1.00 0.00 H new ATOM 0 HA SER A 121 11.160 3.000 3.535 1.00 0.00 H new ATOM 0 HB2 SER A 121 11.636 0.468 3.951 1.00 0.00 H new ATOM 0 HB3 SER A 121 10.837 0.196 2.416 1.00 0.00 H new ATOM 0 HG SER A 121 13.128 0.463 2.178 1.00 0.00 H new ATOM 241 N THR A 122 10.049 3.782 1.481 1.00 0.00 N ATOM 242 CA THR A 122 9.432 4.276 0.257 1.00 0.00 C ATOM 243 C THR A 122 10.344 4.060 -0.945 1.00 0.00 C ATOM 244 O THR A 122 10.329 4.841 -1.896 1.00 0.00 O ATOM 245 CB THR A 122 9.091 5.775 0.365 1.00 0.00 C ATOM 246 OG1 THR A 122 10.294 6.543 0.483 1.00 0.00 O ATOM 247 CG2 THR A 122 8.193 6.040 1.564 1.00 0.00 C ATOM 0 H THR A 122 10.664 4.452 1.943 1.00 0.00 H new ATOM 0 HA THR A 122 8.511 3.710 0.117 1.00 0.00 H new ATOM 0 HB THR A 122 8.559 6.071 -0.539 1.00 0.00 H new ATOM 0 HG1 THR A 122 10.069 7.495 0.549 1.00 0.00 H new ATOM 0 HG21 THR A 122 7.966 7.105 1.620 1.00 0.00 H new ATOM 0 HG22 THR A 122 7.266 5.476 1.456 1.00 0.00 H new ATOM 0 HG23 THR A 122 8.703 5.729 2.476 1.00 0.00 H new ATOM 255 N MET A 123 11.137 2.994 -0.896 1.00 0.00 N ATOM 256 CA MET A 123 12.055 2.674 -1.983 1.00 0.00 C ATOM 257 C MET A 123 11.371 1.805 -3.034 1.00 0.00 C ATOM 258 O MET A 123 10.193 1.471 -2.906 1.00 0.00 O ATOM 259 CB MET A 123 13.293 1.959 -1.440 1.00 0.00 C ATOM 260 CG MET A 123 14.571 2.772 -1.572 1.00 0.00 C ATOM 261 SD MET A 123 16.055 1.750 -1.503 1.00 0.00 S ATOM 262 CE MET A 123 16.445 1.602 -3.245 1.00 0.00 C ATOM 0 H MET A 123 11.162 2.338 -0.116 1.00 0.00 H new ATOM 0 HA MET A 123 12.362 3.608 -2.453 1.00 0.00 H new ATOM 0 HB2 MET A 123 13.132 1.719 -0.389 1.00 0.00 H new ATOM 0 HB3 MET A 123 13.417 1.014 -1.968 1.00 0.00 H new ATOM 0 HG2 MET A 123 14.554 3.318 -2.515 1.00 0.00 H new ATOM 0 HG3 MET A 123 14.609 3.515 -0.775 1.00 0.00 H new ATOM 0 HE1 MET A 123 17.342 0.995 -3.367 1.00 0.00 H new ATOM 0 HE2 MET A 123 15.613 1.128 -3.765 1.00 0.00 H new ATOM 0 HE3 MET A 123 16.618 2.593 -3.665 1.00 0.00 H new ATOM 272 N VAL A 124 12.118 1.442 -4.072 1.00 0.00 N ATOM 273 CA VAL A 124 11.584 0.611 -5.145 1.00 0.00 C ATOM 274 C VAL A 124 11.830 -0.868 -4.868 1.00 0.00 C ATOM 275 O VAL A 124 12.839 -1.429 -5.292 1.00 0.00 O ATOM 276 CB VAL A 124 12.208 0.979 -6.504 1.00 0.00 C ATOM 277 CG1 VAL A 124 11.500 0.246 -7.633 1.00 0.00 C ATOM 278 CG2 VAL A 124 12.161 2.483 -6.722 1.00 0.00 C ATOM 0 H VAL A 124 13.095 1.710 -4.193 1.00 0.00 H new ATOM 0 HA VAL A 124 10.511 0.797 -5.185 1.00 0.00 H new ATOM 0 HB VAL A 124 13.253 0.668 -6.500 1.00 0.00 H new ATOM 0 HG11 VAL A 124 11.955 0.519 -8.585 1.00 0.00 H new ATOM 0 HG12 VAL A 124 11.591 -0.830 -7.482 1.00 0.00 H new ATOM 0 HG13 VAL A 124 10.446 0.523 -7.642 1.00 0.00 H new ATOM 0 HG21 VAL A 124 12.606 2.725 -7.687 1.00 0.00 H new ATOM 0 HG22 VAL A 124 11.125 2.821 -6.705 1.00 0.00 H new ATOM 0 HG23 VAL A 124 12.718 2.983 -5.930 1.00 0.00 H new ATOM 288 N ASN A 125 10.899 -1.493 -4.154 1.00 0.00 N ATOM 289 CA ASN A 125 11.015 -2.908 -3.820 1.00 0.00 C ATOM 290 C ASN A 125 10.846 -3.776 -5.064 1.00 0.00 C ATOM 291 O ASN A 125 10.841 -3.274 -6.188 1.00 0.00 O ATOM 292 CB ASN A 125 9.970 -3.293 -2.771 1.00 0.00 C ATOM 293 CG ASN A 125 8.598 -3.517 -3.376 1.00 0.00 C ATOM 294 OD1 ASN A 125 8.014 -2.611 -3.970 1.00 0.00 O ATOM 295 ND2 ASN A 125 8.076 -4.729 -3.227 1.00 0.00 N ATOM 0 H ASN A 125 10.057 -1.042 -3.796 1.00 0.00 H new ATOM 0 HA ASN A 125 12.011 -3.079 -3.411 1.00 0.00 H new ATOM 0 HB2 ASN A 125 10.291 -4.200 -2.259 1.00 0.00 H new ATOM 0 HB3 ASN A 125 9.908 -2.507 -2.018 1.00 0.00 H new ATOM 0 HD21 ASN A 125 7.155 -4.939 -3.613 1.00 0.00 H new ATOM 0 HD22 ASN A 125 8.596 -5.450 -2.727 1.00 0.00 H new ATOM 302 N ASP A 126 10.708 -5.080 -4.854 1.00 0.00 N ATOM 303 CA ASP A 126 10.538 -6.019 -5.957 1.00 0.00 C ATOM 304 C ASP A 126 9.302 -5.671 -6.780 1.00 0.00 C ATOM 305 O ASP A 126 9.308 -5.784 -8.006 1.00 0.00 O ATOM 306 CB ASP A 126 10.426 -7.449 -5.426 1.00 0.00 C ATOM 307 CG ASP A 126 11.637 -8.292 -5.775 1.00 0.00 C ATOM 308 OD1 ASP A 126 12.770 -7.848 -5.497 1.00 0.00 O ATOM 309 OD2 ASP A 126 11.450 -9.397 -6.326 1.00 0.00 O ATOM 0 H ASP A 126 10.710 -5.511 -3.930 1.00 0.00 H new ATOM 0 HA ASP A 126 11.414 -5.947 -6.601 1.00 0.00 H new ATOM 0 HB2 ASP A 126 10.305 -7.423 -4.343 1.00 0.00 H new ATOM 0 HB3 ASP A 126 9.531 -7.917 -5.836 1.00 0.00 H new ATOM 314 N SER A 127 8.242 -5.248 -6.098 1.00 0.00 N ATOM 315 CA SER A 127 6.997 -4.888 -6.765 1.00 0.00 C ATOM 316 C SER A 127 6.098 -4.075 -5.838 1.00 0.00 C ATOM 317 O SER A 127 5.789 -4.501 -4.726 1.00 0.00 O ATOM 318 CB SER A 127 6.262 -6.146 -7.233 1.00 0.00 C ATOM 319 OG SER A 127 5.394 -5.857 -8.314 1.00 0.00 O ATOM 0 H SER A 127 8.221 -5.146 -5.083 1.00 0.00 H new ATOM 0 HA SER A 127 7.243 -4.275 -7.632 1.00 0.00 H new ATOM 0 HB2 SER A 127 6.986 -6.902 -7.536 1.00 0.00 H new ATOM 0 HB3 SER A 127 5.690 -6.566 -6.406 1.00 0.00 H new ATOM 0 HG SER A 127 4.938 -6.677 -8.596 1.00 0.00 H new ATOM 325 N MET A 128 5.683 -2.902 -6.305 1.00 0.00 N ATOM 326 CA MET A 128 4.819 -2.030 -5.518 1.00 0.00 C ATOM 327 C MET A 128 3.372 -2.126 -5.992 1.00 0.00 C ATOM 328 O MET A 128 3.104 -2.570 -7.109 1.00 0.00 O ATOM 329 CB MET A 128 5.302 -0.581 -5.610 1.00 0.00 C ATOM 330 CG MET A 128 6.731 -0.447 -6.110 1.00 0.00 C ATOM 331 SD MET A 128 7.457 1.156 -5.719 1.00 0.00 S ATOM 332 CE MET A 128 7.456 1.101 -3.929 1.00 0.00 C ATOM 0 H MET A 128 5.931 -2.534 -7.223 1.00 0.00 H new ATOM 0 HA MET A 128 4.865 -2.356 -4.479 1.00 0.00 H new ATOM 0 HB2 MET A 128 4.640 -0.027 -6.276 1.00 0.00 H new ATOM 0 HB3 MET A 128 5.225 -0.118 -4.626 1.00 0.00 H new ATOM 0 HG2 MET A 128 7.341 -1.235 -5.669 1.00 0.00 H new ATOM 0 HG3 MET A 128 6.749 -0.596 -7.190 1.00 0.00 H new ATOM 0 HE1 MET A 128 7.942 1.995 -3.537 1.00 0.00 H new ATOM 0 HE2 MET A 128 6.429 1.058 -3.567 1.00 0.00 H new ATOM 0 HE3 MET A 128 7.997 0.217 -3.592 1.00 0.00 H new ATOM 342 N ILE A 129 2.445 -1.710 -5.137 1.00 0.00 N ATOM 343 CA ILE A 129 1.026 -1.749 -5.469 1.00 0.00 C ATOM 344 C ILE A 129 0.264 -0.635 -4.760 1.00 0.00 C ATOM 345 O ILE A 129 0.428 -0.426 -3.558 1.00 0.00 O ATOM 346 CB ILE A 129 0.398 -3.104 -5.096 1.00 0.00 C ATOM 347 CG1 ILE A 129 -1.091 -3.115 -5.447 1.00 0.00 C ATOM 348 CG2 ILE A 129 0.601 -3.392 -3.616 1.00 0.00 C ATOM 349 CD1 ILE A 129 -1.735 -4.476 -5.307 1.00 0.00 C ATOM 0 H ILE A 129 2.651 -1.342 -4.208 1.00 0.00 H new ATOM 0 HA ILE A 129 0.950 -1.607 -6.547 1.00 0.00 H new ATOM 0 HB ILE A 129 0.893 -3.887 -5.670 1.00 0.00 H new ATOM 0 HG12 ILE A 129 -1.613 -2.407 -4.803 1.00 0.00 H new ATOM 0 HG13 ILE A 129 -1.217 -2.766 -6.472 1.00 0.00 H new ATOM 0 HG21 ILE A 129 0.152 -4.353 -3.367 1.00 0.00 H new ATOM 0 HG22 ILE A 129 1.668 -3.422 -3.394 1.00 0.00 H new ATOM 0 HG23 ILE A 129 0.129 -2.607 -3.025 1.00 0.00 H new ATOM 0 HD11 ILE A 129 -2.790 -4.408 -5.572 1.00 0.00 H new ATOM 0 HD12 ILE A 129 -1.239 -5.183 -5.971 1.00 0.00 H new ATOM 0 HD13 ILE A 129 -1.641 -4.819 -4.277 1.00 0.00 H new ATOM 361 N GLN A 130 -0.570 0.075 -5.512 1.00 0.00 N ATOM 362 CA GLN A 130 -1.359 1.168 -4.954 1.00 0.00 C ATOM 363 C GLN A 130 -2.672 0.651 -4.376 1.00 0.00 C ATOM 364 O GLN A 130 -3.325 -0.211 -4.964 1.00 0.00 O ATOM 365 CB GLN A 130 -1.640 2.221 -6.026 1.00 0.00 C ATOM 366 CG GLN A 130 -2.646 3.276 -5.594 1.00 0.00 C ATOM 367 CD GLN A 130 -2.343 4.644 -6.173 1.00 0.00 C ATOM 368 OE1 GLN A 130 -2.378 5.667 -5.327 1.00 0.00 O flip ATOM 369 NE2 GLN A 130 -2.079 4.780 -7.369 1.00 0.00 N flip ATOM 0 H GLN A 130 -0.717 -0.086 -6.508 1.00 0.00 H new ATOM 0 HA GLN A 130 -0.783 1.624 -4.149 1.00 0.00 H new ATOM 0 HB2 GLN A 130 -0.705 2.712 -6.295 1.00 0.00 H new ATOM 0 HB3 GLN A 130 -2.010 1.724 -6.923 1.00 0.00 H new ATOM 0 HG2 GLN A 130 -3.645 2.968 -5.903 1.00 0.00 H new ATOM 0 HG3 GLN A 130 -2.655 3.340 -4.506 1.00 0.00 H new ATOM 0 HE21 GLN A 130 -2.063 3.966 -7.984 1.00 0.00 H new ATOM 0 HE22 GLN A 130 -1.876 5.706 -7.744 1.00 0.00 H new ATOM 378 N CYS A 131 -3.054 1.182 -3.219 1.00 0.00 N ATOM 379 CA CYS A 131 -4.288 0.775 -2.560 1.00 0.00 C ATOM 380 C CYS A 131 -5.476 0.888 -3.511 1.00 0.00 C ATOM 381 O CYS A 131 -5.484 1.727 -4.411 1.00 0.00 O ATOM 382 CB CYS A 131 -4.534 1.631 -1.316 1.00 0.00 C ATOM 383 SG CYS A 131 -5.953 1.092 -0.310 1.00 0.00 S ATOM 0 H CYS A 131 -2.525 1.896 -2.718 1.00 0.00 H new ATOM 0 HA CYS A 131 -4.183 -0.268 -2.260 1.00 0.00 H new ATOM 0 HB2 CYS A 131 -3.637 1.618 -0.696 1.00 0.00 H new ATOM 0 HB3 CYS A 131 -4.693 2.664 -1.625 1.00 0.00 H new ATOM 388 N GLU A 132 -6.477 0.038 -3.304 1.00 0.00 N ATOM 389 CA GLU A 132 -7.669 0.043 -4.144 1.00 0.00 C ATOM 390 C GLU A 132 -8.725 0.992 -3.584 1.00 0.00 C ATOM 391 O GLU A 132 -9.907 0.884 -3.910 1.00 0.00 O ATOM 392 CB GLU A 132 -8.246 -1.370 -4.257 1.00 0.00 C ATOM 393 CG GLU A 132 -8.040 -2.003 -5.623 1.00 0.00 C ATOM 394 CD GLU A 132 -9.205 -1.754 -6.562 1.00 0.00 C ATOM 395 OE1 GLU A 132 -10.356 -1.705 -6.081 1.00 0.00 O ATOM 396 OE2 GLU A 132 -8.964 -1.610 -7.779 1.00 0.00 O ATOM 0 H GLU A 132 -6.486 -0.662 -2.562 1.00 0.00 H new ATOM 0 HA GLU A 132 -7.382 0.391 -5.136 1.00 0.00 H new ATOM 0 HB2 GLU A 132 -7.785 -2.003 -3.499 1.00 0.00 H new ATOM 0 HB3 GLU A 132 -9.313 -1.336 -4.038 1.00 0.00 H new ATOM 0 HG2 GLU A 132 -7.127 -1.607 -6.069 1.00 0.00 H new ATOM 0 HG3 GLU A 132 -7.897 -3.077 -5.504 1.00 0.00 H new ATOM 403 N ASP A 133 -8.289 1.920 -2.739 1.00 0.00 N ATOM 404 CA ASP A 133 -9.195 2.888 -2.133 1.00 0.00 C ATOM 405 C ASP A 133 -8.833 4.309 -2.554 1.00 0.00 C ATOM 406 O ASP A 133 -7.789 4.834 -2.165 1.00 0.00 O ATOM 407 CB ASP A 133 -9.159 2.769 -0.609 1.00 0.00 C ATOM 408 CG ASP A 133 -10.097 3.747 0.071 1.00 0.00 C ATOM 409 OD1 ASP A 133 -11.238 3.908 -0.412 1.00 0.00 O ATOM 410 OD2 ASP A 133 -9.691 4.350 1.086 1.00 0.00 O ATOM 0 H ASP A 133 -7.314 2.022 -2.458 1.00 0.00 H new ATOM 0 HA ASP A 133 -10.205 2.671 -2.482 1.00 0.00 H new ATOM 0 HB2 ASP A 133 -9.427 1.753 -0.321 1.00 0.00 H new ATOM 0 HB3 ASP A 133 -8.142 2.942 -0.258 1.00 0.00 H new ATOM 415 N GLN A 134 -9.700 4.925 -3.350 1.00 0.00 N ATOM 416 CA GLN A 134 -9.470 6.284 -3.825 1.00 0.00 C ATOM 417 C GLN A 134 -9.331 7.253 -2.655 1.00 0.00 C ATOM 418 O GLN A 134 -8.743 8.326 -2.791 1.00 0.00 O ATOM 419 CB GLN A 134 -10.613 6.729 -4.738 1.00 0.00 C ATOM 420 CG GLN A 134 -10.571 8.207 -5.090 1.00 0.00 C ATOM 421 CD GLN A 134 -10.973 8.477 -6.527 1.00 0.00 C ATOM 422 OE1 GLN A 134 -12.125 8.810 -6.809 1.00 0.00 O ATOM 423 NE2 GLN A 134 -10.024 8.335 -7.445 1.00 0.00 N ATOM 0 H GLN A 134 -10.569 4.504 -3.680 1.00 0.00 H new ATOM 0 HA GLN A 134 -8.539 6.291 -4.392 1.00 0.00 H new ATOM 0 HB2 GLN A 134 -10.581 6.144 -5.657 1.00 0.00 H new ATOM 0 HB3 GLN A 134 -11.563 6.507 -4.252 1.00 0.00 H new ATOM 0 HG2 GLN A 134 -11.236 8.755 -4.422 1.00 0.00 H new ATOM 0 HG3 GLN A 134 -9.564 8.588 -4.921 1.00 0.00 H new ATOM 0 HE21 GLN A 134 -9.083 8.057 -7.167 1.00 0.00 H new ATOM 0 HE22 GLN A 134 -10.236 8.504 -8.428 1.00 0.00 H new ATOM 432 N ARG A 135 -9.878 6.868 -1.506 1.00 0.00 N ATOM 433 CA ARG A 135 -9.817 7.703 -0.313 1.00 0.00 C ATOM 434 C ARG A 135 -8.554 7.410 0.492 1.00 0.00 C ATOM 435 O ARG A 135 -8.405 7.872 1.624 1.00 0.00 O ATOM 436 CB ARG A 135 -11.054 7.477 0.558 1.00 0.00 C ATOM 437 CG ARG A 135 -12.363 7.573 -0.208 1.00 0.00 C ATOM 438 CD ARG A 135 -13.558 7.317 0.698 1.00 0.00 C ATOM 439 NE ARG A 135 -14.120 8.558 1.226 1.00 0.00 N ATOM 440 CZ ARG A 135 -15.309 8.634 1.813 1.00 0.00 C ATOM 441 NH1 ARG A 135 -16.057 7.548 1.948 1.00 0.00 N ATOM 442 NH2 ARG A 135 -15.752 9.800 2.268 1.00 0.00 N ATOM 0 H ARG A 135 -10.368 5.983 -1.377 1.00 0.00 H new ATOM 0 HA ARG A 135 -9.791 8.745 -0.631 1.00 0.00 H new ATOM 0 HB2 ARG A 135 -10.986 6.493 1.023 1.00 0.00 H new ATOM 0 HB3 ARG A 135 -11.060 8.211 1.364 1.00 0.00 H new ATOM 0 HG2 ARG A 135 -12.451 8.562 -0.658 1.00 0.00 H new ATOM 0 HG3 ARG A 135 -12.362 6.851 -1.024 1.00 0.00 H new ATOM 0 HD2 ARG A 135 -14.326 6.779 0.142 1.00 0.00 H new ATOM 0 HD3 ARG A 135 -13.255 6.675 1.525 1.00 0.00 H new ATOM 0 HE ARG A 135 -13.569 9.412 1.139 1.00 0.00 H new ATOM 0 HH11 ARG A 135 -15.720 6.650 1.601 1.00 0.00 H new ATOM 0 HH12 ARG A 135 -16.970 7.610 2.399 1.00 0.00 H new ATOM 0 HH21 ARG A 135 -15.179 10.638 2.167 1.00 0.00 H new ATOM 0 HH22 ARG A 135 -16.665 9.858 2.719 1.00 0.00 H new ATOM 456 N CYS A 136 -7.648 6.639 -0.099 1.00 0.00 N ATOM 457 CA CYS A 136 -6.398 6.282 0.562 1.00 0.00 C ATOM 458 C CYS A 136 -5.201 6.600 -0.330 1.00 0.00 C ATOM 459 O CYS A 136 -4.332 7.388 0.040 1.00 0.00 O ATOM 460 CB CYS A 136 -6.396 4.796 0.927 1.00 0.00 C ATOM 461 SG CYS A 136 -5.786 4.444 2.607 1.00 0.00 S ATOM 0 H CYS A 136 -7.756 6.249 -1.035 1.00 0.00 H new ATOM 0 HA CYS A 136 -6.316 6.873 1.474 1.00 0.00 H new ATOM 0 HB2 CYS A 136 -7.410 4.408 0.831 1.00 0.00 H new ATOM 0 HB3 CYS A 136 -5.779 4.257 0.208 1.00 0.00 H new ATOM 466 N GLN A 137 -5.165 5.980 -1.505 1.00 0.00 N ATOM 467 CA GLN A 137 -4.075 6.197 -2.449 1.00 0.00 C ATOM 468 C GLN A 137 -2.722 5.989 -1.775 1.00 0.00 C ATOM 469 O GLN A 137 -1.894 6.899 -1.728 1.00 0.00 O ATOM 470 CB GLN A 137 -4.154 7.606 -3.037 1.00 0.00 C ATOM 471 CG GLN A 137 -5.437 7.873 -3.808 1.00 0.00 C ATOM 472 CD GLN A 137 -5.257 7.734 -5.306 1.00 0.00 C ATOM 473 OE1 GLN A 137 -5.122 8.727 -6.022 1.00 0.00 O ATOM 474 NE2 GLN A 137 -5.254 6.498 -5.790 1.00 0.00 N ATOM 0 H GLN A 137 -5.877 5.324 -1.826 1.00 0.00 H new ATOM 0 HA GLN A 137 -4.175 5.469 -3.254 1.00 0.00 H new ATOM 0 HB2 GLN A 137 -4.067 8.333 -2.229 1.00 0.00 H new ATOM 0 HB3 GLN A 137 -3.303 7.762 -3.699 1.00 0.00 H new ATOM 0 HG2 GLN A 137 -6.209 7.180 -3.473 1.00 0.00 H new ATOM 0 HG3 GLN A 137 -5.791 8.879 -3.580 1.00 0.00 H new ATOM 0 HE21 GLN A 137 -5.369 5.704 -5.161 1.00 0.00 H new ATOM 0 HE22 GLN A 137 -5.137 6.343 -6.791 1.00 0.00 H new ATOM 483 N VAL A 138 -2.504 4.785 -1.255 1.00 0.00 N ATOM 484 CA VAL A 138 -1.252 4.458 -0.584 1.00 0.00 C ATOM 485 C VAL A 138 -0.577 3.257 -1.237 1.00 0.00 C ATOM 486 O VAL A 138 -1.164 2.179 -1.335 1.00 0.00 O ATOM 487 CB VAL A 138 -1.477 4.157 0.910 1.00 0.00 C ATOM 488 CG1 VAL A 138 -1.759 5.440 1.676 1.00 0.00 C ATOM 489 CG2 VAL A 138 -2.612 3.160 1.087 1.00 0.00 C ATOM 0 H VAL A 138 -3.178 4.020 -1.286 1.00 0.00 H new ATOM 0 HA VAL A 138 -0.605 5.331 -0.677 1.00 0.00 H new ATOM 0 HB VAL A 138 -0.568 3.713 1.315 1.00 0.00 H new ATOM 0 HG11 VAL A 138 -1.915 5.208 2.729 1.00 0.00 H new ATOM 0 HG12 VAL A 138 -0.911 6.118 1.576 1.00 0.00 H new ATOM 0 HG13 VAL A 138 -2.653 5.916 1.273 1.00 0.00 H new ATOM 0 HG21 VAL A 138 -2.757 2.959 2.148 1.00 0.00 H new ATOM 0 HG22 VAL A 138 -3.529 3.574 0.667 1.00 0.00 H new ATOM 0 HG23 VAL A 138 -2.364 2.232 0.572 1.00 0.00 H new ATOM 499 N TRP A 139 0.660 3.450 -1.681 1.00 0.00 N ATOM 500 CA TRP A 139 1.416 2.381 -2.325 1.00 0.00 C ATOM 501 C TRP A 139 2.137 1.525 -1.290 1.00 0.00 C ATOM 502 O TRP A 139 2.690 2.043 -0.321 1.00 0.00 O ATOM 503 CB TRP A 139 2.425 2.967 -3.313 1.00 0.00 C ATOM 504 CG TRP A 139 1.786 3.731 -4.433 1.00 0.00 C ATOM 505 CD1 TRP A 139 0.930 4.789 -4.320 1.00 0.00 C ATOM 506 CD2 TRP A 139 1.950 3.493 -5.836 1.00 0.00 C ATOM 507 NE1 TRP A 139 0.553 5.224 -5.568 1.00 0.00 N ATOM 508 CE2 TRP A 139 1.165 4.446 -6.514 1.00 0.00 C ATOM 509 CE3 TRP A 139 2.685 2.570 -6.584 1.00 0.00 C ATOM 510 CZ2 TRP A 139 1.096 4.499 -7.904 1.00 0.00 C ATOM 511 CZ3 TRP A 139 2.615 2.624 -7.963 1.00 0.00 C ATOM 512 CH2 TRP A 139 1.825 3.583 -8.611 1.00 0.00 C ATOM 0 H TRP A 139 1.161 4.336 -1.607 1.00 0.00 H new ATOM 0 HA TRP A 139 0.714 1.748 -2.867 1.00 0.00 H new ATOM 0 HB2 TRP A 139 3.107 3.626 -2.776 1.00 0.00 H new ATOM 0 HB3 TRP A 139 3.025 2.159 -3.730 1.00 0.00 H new ATOM 0 HD1 TRP A 139 0.598 5.220 -3.387 1.00 0.00 H new ATOM 0 HE1 TRP A 139 -0.080 6.001 -5.759 1.00 0.00 H new ATOM 0 HE3 TRP A 139 3.297 1.828 -6.093 1.00 0.00 H new ATOM 0 HZ2 TRP A 139 0.488 5.237 -8.406 1.00 0.00 H new ATOM 0 HZ3 TRP A 139 3.179 1.915 -8.551 1.00 0.00 H new ATOM 0 HH2 TRP A 139 1.791 3.599 -9.690 1.00 0.00 H new ATOM 523 N GLN A 140 2.126 0.213 -1.503 1.00 0.00 N ATOM 524 CA GLN A 140 2.779 -0.714 -0.586 1.00 0.00 C ATOM 525 C GLN A 140 3.590 -1.755 -1.351 1.00 0.00 C ATOM 526 O GLN A 140 3.428 -1.917 -2.561 1.00 0.00 O ATOM 527 CB GLN A 140 1.741 -1.409 0.297 1.00 0.00 C ATOM 528 CG GLN A 140 1.054 -0.473 1.279 1.00 0.00 C ATOM 529 CD GLN A 140 0.721 -1.149 2.594 1.00 0.00 C ATOM 530 OE1 GLN A 140 0.909 -2.356 2.750 1.00 0.00 O ATOM 531 NE2 GLN A 140 0.223 -0.374 3.549 1.00 0.00 N ATOM 0 H GLN A 140 1.673 -0.232 -2.301 1.00 0.00 H new ATOM 0 HA GLN A 140 3.458 -0.142 0.046 1.00 0.00 H new ATOM 0 HB2 GLN A 140 0.987 -1.872 -0.339 1.00 0.00 H new ATOM 0 HB3 GLN A 140 2.227 -2.212 0.852 1.00 0.00 H new ATOM 0 HG2 GLN A 140 1.699 0.385 1.469 1.00 0.00 H new ATOM 0 HG3 GLN A 140 0.138 -0.090 0.830 1.00 0.00 H new ATOM 0 HE21 GLN A 140 0.083 0.622 3.377 1.00 0.00 H new ATOM 0 HE22 GLN A 140 -0.020 -0.774 4.455 1.00 0.00 H new ATOM 540 N HIS A 141 4.465 -2.458 -0.638 1.00 0.00 N ATOM 541 CA HIS A 141 5.302 -3.483 -1.251 1.00 0.00 C ATOM 542 C HIS A 141 4.551 -4.807 -1.355 1.00 0.00 C ATOM 543 O HIS A 141 4.222 -5.428 -0.343 1.00 0.00 O ATOM 544 CB HIS A 141 6.585 -3.674 -0.442 1.00 0.00 C ATOM 545 CG HIS A 141 7.467 -2.464 -0.423 1.00 0.00 C ATOM 546 ND1 HIS A 141 8.355 -2.195 0.597 1.00 0.00 N ATOM 547 CD2 HIS A 141 7.595 -1.447 -1.308 1.00 0.00 C ATOM 548 CE1 HIS A 141 8.990 -1.066 0.340 1.00 0.00 C ATOM 549 NE2 HIS A 141 8.547 -0.592 -0.811 1.00 0.00 N ATOM 0 H HIS A 141 4.612 -2.336 0.364 1.00 0.00 H new ATOM 0 HA HIS A 141 5.561 -3.152 -2.257 1.00 0.00 H new ATOM 0 HB2 HIS A 141 6.323 -3.938 0.582 1.00 0.00 H new ATOM 0 HB3 HIS A 141 7.143 -4.514 -0.855 1.00 0.00 H new ATOM 0 HD2 HIS A 141 7.050 -1.330 -2.233 1.00 0.00 H new ATOM 0 HE1 HIS A 141 9.743 -0.608 0.964 1.00 0.00 H new ATOM 0 HE2 HIS A 141 8.861 0.269 -1.258 1.00 0.00 H new ATOM 557 N LEU A 142 4.281 -5.234 -2.583 1.00 0.00 N ATOM 558 CA LEU A 142 3.567 -6.484 -2.820 1.00 0.00 C ATOM 559 C LEU A 142 4.263 -7.648 -2.122 1.00 0.00 C ATOM 560 O LEU A 142 3.611 -8.513 -1.538 1.00 0.00 O ATOM 561 CB LEU A 142 3.467 -6.761 -4.321 1.00 0.00 C ATOM 562 CG LEU A 142 2.127 -6.424 -4.977 1.00 0.00 C ATOM 563 CD1 LEU A 142 2.168 -6.736 -6.465 1.00 0.00 C ATOM 564 CD2 LEU A 142 0.996 -7.187 -4.302 1.00 0.00 C ATOM 0 H LEU A 142 4.546 -4.733 -3.431 1.00 0.00 H new ATOM 0 HA LEU A 142 2.563 -6.384 -2.408 1.00 0.00 H new ATOM 0 HB2 LEU A 142 4.249 -6.196 -4.828 1.00 0.00 H new ATOM 0 HB3 LEU A 142 3.676 -7.817 -4.490 1.00 0.00 H new ATOM 0 HG LEU A 142 1.943 -5.357 -4.855 1.00 0.00 H new ATOM 0 HD11 LEU A 142 1.206 -6.490 -6.915 1.00 0.00 H new ATOM 0 HD12 LEU A 142 2.952 -6.146 -6.939 1.00 0.00 H new ATOM 0 HD13 LEU A 142 2.375 -7.796 -6.609 1.00 0.00 H new ATOM 0 HD21 LEU A 142 0.050 -6.935 -4.782 1.00 0.00 H new ATOM 0 HD22 LEU A 142 1.175 -8.258 -4.393 1.00 0.00 H new ATOM 0 HD23 LEU A 142 0.952 -6.915 -3.247 1.00 0.00 H new ATOM 576 N ASN A 143 5.590 -7.662 -2.186 1.00 0.00 N ATOM 577 CA ASN A 143 6.375 -8.719 -1.558 1.00 0.00 C ATOM 578 C ASN A 143 6.202 -8.699 -0.043 1.00 0.00 C ATOM 579 O ASN A 143 6.378 -9.717 0.627 1.00 0.00 O ATOM 580 CB ASN A 143 7.855 -8.566 -1.916 1.00 0.00 C ATOM 581 CG ASN A 143 8.227 -9.323 -3.176 1.00 0.00 C ATOM 582 OD1 ASN A 143 8.930 -10.332 -3.122 1.00 0.00 O ATOM 583 ND2 ASN A 143 7.755 -8.839 -4.319 1.00 0.00 N ATOM 0 H ASN A 143 6.145 -6.954 -2.666 1.00 0.00 H new ATOM 0 HA ASN A 143 6.014 -9.676 -1.934 1.00 0.00 H new ATOM 0 HB2 ASN A 143 8.086 -7.509 -2.049 1.00 0.00 H new ATOM 0 HB3 ASN A 143 8.465 -8.924 -1.087 1.00 0.00 H new ATOM 0 HD21 ASN A 143 7.972 -9.307 -5.199 1.00 0.00 H new ATOM 0 HD22 ASN A 143 7.176 -7.999 -4.317 1.00 0.00 H new ATOM 590 N CYS A 144 5.854 -7.533 0.492 1.00 0.00 N ATOM 591 CA CYS A 144 5.656 -7.379 1.928 1.00 0.00 C ATOM 592 C CYS A 144 4.240 -7.781 2.328 1.00 0.00 C ATOM 593 O CYS A 144 4.013 -8.285 3.428 1.00 0.00 O ATOM 594 CB CYS A 144 5.925 -5.932 2.348 1.00 0.00 C ATOM 595 SG CYS A 144 7.691 -5.488 2.394 1.00 0.00 S ATOM 0 H CYS A 144 5.703 -6.681 -0.048 1.00 0.00 H new ATOM 0 HA CYS A 144 6.359 -8.036 2.439 1.00 0.00 H new ATOM 0 HB2 CYS A 144 5.411 -5.263 1.658 1.00 0.00 H new ATOM 0 HB3 CYS A 144 5.493 -5.765 3.335 1.00 0.00 H new ATOM 600 N VAL A 145 3.289 -7.555 1.427 1.00 0.00 N ATOM 601 CA VAL A 145 1.895 -7.895 1.685 1.00 0.00 C ATOM 602 C VAL A 145 1.505 -9.188 0.978 1.00 0.00 C ATOM 603 O VAL A 145 0.322 -9.511 0.858 1.00 0.00 O ATOM 604 CB VAL A 145 0.949 -6.768 1.229 1.00 0.00 C ATOM 605 CG1 VAL A 145 1.066 -5.565 2.152 1.00 0.00 C ATOM 606 CG2 VAL A 145 1.244 -6.376 -0.211 1.00 0.00 C ATOM 0 H VAL A 145 3.459 -7.138 0.512 1.00 0.00 H new ATOM 0 HA VAL A 145 1.796 -8.029 2.762 1.00 0.00 H new ATOM 0 HB VAL A 145 -0.076 -7.135 1.280 1.00 0.00 H new ATOM 0 HG11 VAL A 145 0.390 -4.780 1.814 1.00 0.00 H new ATOM 0 HG12 VAL A 145 0.801 -5.859 3.168 1.00 0.00 H new ATOM 0 HG13 VAL A 145 2.091 -5.193 2.137 1.00 0.00 H new ATOM 0 HG21 VAL A 145 0.567 -5.579 -0.517 1.00 0.00 H new ATOM 0 HG22 VAL A 145 2.274 -6.027 -0.290 1.00 0.00 H new ATOM 0 HG23 VAL A 145 1.103 -7.241 -0.860 1.00 0.00 H new ATOM 616 N LEU A 146 2.506 -9.926 0.512 1.00 0.00 N ATOM 617 CA LEU A 146 2.269 -11.187 -0.183 1.00 0.00 C ATOM 618 C LEU A 146 2.378 -12.367 0.777 1.00 0.00 C ATOM 619 O LEU A 146 3.433 -12.606 1.365 1.00 0.00 O ATOM 620 CB LEU A 146 3.266 -11.354 -1.331 1.00 0.00 C ATOM 621 CG LEU A 146 2.726 -11.077 -2.734 1.00 0.00 C ATOM 622 CD1 LEU A 146 3.869 -10.917 -3.724 1.00 0.00 C ATOM 623 CD2 LEU A 146 1.788 -12.192 -3.175 1.00 0.00 C ATOM 0 H LEU A 146 3.490 -9.673 0.603 1.00 0.00 H new ATOM 0 HA LEU A 146 1.258 -11.166 -0.589 1.00 0.00 H new ATOM 0 HB2 LEU A 146 4.111 -10.690 -1.151 1.00 0.00 H new ATOM 0 HB3 LEU A 146 3.651 -12.374 -1.306 1.00 0.00 H new ATOM 0 HG LEU A 146 2.162 -10.145 -2.708 1.00 0.00 H new ATOM 0 HD11 LEU A 146 3.465 -10.720 -4.717 1.00 0.00 H new ATOM 0 HD12 LEU A 146 4.501 -10.084 -3.418 1.00 0.00 H new ATOM 0 HD13 LEU A 146 4.461 -11.832 -3.748 1.00 0.00 H new ATOM 0 HD21 LEU A 146 1.413 -11.978 -4.176 1.00 0.00 H new ATOM 0 HD22 LEU A 146 2.328 -13.139 -3.185 1.00 0.00 H new ATOM 0 HD23 LEU A 146 0.950 -12.259 -2.481 1.00 0.00 H new ATOM 635 N ILE A 147 1.282 -13.102 0.930 1.00 0.00 N ATOM 636 CA ILE A 147 1.256 -14.259 1.816 1.00 0.00 C ATOM 637 C ILE A 147 0.895 -15.529 1.052 1.00 0.00 C ATOM 638 O ILE A 147 -0.247 -15.732 0.640 1.00 0.00 O ATOM 639 CB ILE A 147 0.252 -14.064 2.968 1.00 0.00 C ATOM 640 CG1 ILE A 147 0.058 -12.574 3.257 1.00 0.00 C ATOM 641 CG2 ILE A 147 0.729 -14.794 4.214 1.00 0.00 C ATOM 642 CD1 ILE A 147 1.327 -11.872 3.687 1.00 0.00 C ATOM 0 H ILE A 147 0.400 -12.917 0.452 1.00 0.00 H new ATOM 0 HA ILE A 147 2.259 -14.360 2.232 1.00 0.00 H new ATOM 0 HB ILE A 147 -0.708 -14.485 2.670 1.00 0.00 H new ATOM 0 HG12 ILE A 147 -0.332 -12.087 2.364 1.00 0.00 H new ATOM 0 HG13 ILE A 147 -0.694 -12.458 4.038 1.00 0.00 H new ATOM 0 HG21 ILE A 147 0.010 -14.647 5.020 1.00 0.00 H new ATOM 0 HG22 ILE A 147 0.821 -15.859 3.999 1.00 0.00 H new ATOM 0 HG23 ILE A 147 1.699 -14.400 4.518 1.00 0.00 H new ATOM 0 HD11 ILE A 147 1.115 -10.819 3.875 1.00 0.00 H new ATOM 0 HD12 ILE A 147 1.707 -12.334 4.598 1.00 0.00 H new ATOM 0 HD13 ILE A 147 2.075 -11.956 2.898 1.00 0.00 H new ATOM 654 N PRO A 148 1.891 -16.406 0.858 1.00 0.00 N ATOM 655 CA PRO A 148 1.703 -17.672 0.144 1.00 0.00 C ATOM 656 C PRO A 148 0.853 -18.662 0.934 1.00 0.00 C ATOM 657 O PRO A 148 0.925 -18.714 2.162 1.00 0.00 O ATOM 658 CB PRO A 148 3.129 -18.203 -0.019 1.00 0.00 C ATOM 659 CG PRO A 148 3.895 -17.582 1.098 1.00 0.00 C ATOM 660 CD PRO A 148 3.278 -16.229 1.321 1.00 0.00 C ATOM 0 HA PRO A 148 1.175 -17.533 -0.799 1.00 0.00 H new ATOM 0 HB2 PRO A 148 3.155 -19.291 0.040 1.00 0.00 H new ATOM 0 HB3 PRO A 148 3.546 -17.926 -0.987 1.00 0.00 H new ATOM 0 HG2 PRO A 148 3.834 -18.192 1.999 1.00 0.00 H new ATOM 0 HG3 PRO A 148 4.951 -17.492 0.844 1.00 0.00 H new ATOM 0 HD2 PRO A 148 3.317 -15.938 2.371 1.00 0.00 H new ATOM 0 HD3 PRO A 148 3.795 -15.454 0.755 1.00 0.00 H new ATOM 668 N ASP A 149 0.051 -19.446 0.223 1.00 0.00 N ATOM 669 CA ASP A 149 -0.812 -20.435 0.858 1.00 0.00 C ATOM 670 C ASP A 149 -0.013 -21.321 1.810 1.00 0.00 C ATOM 671 O ASP A 149 -0.523 -21.759 2.842 1.00 0.00 O ATOM 672 CB ASP A 149 -1.501 -21.297 -0.201 1.00 0.00 C ATOM 673 CG ASP A 149 -2.237 -20.466 -1.234 1.00 0.00 C ATOM 674 OD1 ASP A 149 -2.498 -19.275 -0.962 1.00 0.00 O ATOM 675 OD2 ASP A 149 -2.551 -21.006 -2.315 1.00 0.00 O ATOM 0 H ASP A 149 -0.020 -19.416 -0.794 1.00 0.00 H new ATOM 0 HA ASP A 149 -1.570 -19.904 1.433 1.00 0.00 H new ATOM 0 HB2 ASP A 149 -0.757 -21.917 -0.701 1.00 0.00 H new ATOM 0 HB3 ASP A 149 -2.204 -21.973 0.286 1.00 0.00 H new ATOM 680 N LYS A 150 1.241 -21.581 1.456 1.00 0.00 N ATOM 681 CA LYS A 150 2.111 -22.414 2.278 1.00 0.00 C ATOM 682 C LYS A 150 3.531 -21.857 2.304 1.00 0.00 C ATOM 683 O LYS A 150 3.930 -21.069 1.446 1.00 0.00 O ATOM 684 CB LYS A 150 2.124 -23.850 1.751 1.00 0.00 C ATOM 685 CG LYS A 150 1.346 -24.824 2.619 1.00 0.00 C ATOM 686 CD LYS A 150 -0.090 -24.971 2.143 1.00 0.00 C ATOM 687 CE LYS A 150 -1.028 -25.294 3.296 1.00 0.00 C ATOM 688 NZ LYS A 150 -2.401 -24.769 3.057 1.00 0.00 N ATOM 0 H LYS A 150 1.678 -21.227 0.605 1.00 0.00 H new ATOM 0 HA LYS A 150 1.720 -22.411 3.295 1.00 0.00 H new ATOM 0 HB2 LYS A 150 1.708 -23.862 0.744 1.00 0.00 H new ATOM 0 HB3 LYS A 150 3.157 -24.190 1.674 1.00 0.00 H new ATOM 0 HG2 LYS A 150 1.836 -25.797 2.605 1.00 0.00 H new ATOM 0 HG3 LYS A 150 1.354 -24.478 3.653 1.00 0.00 H new ATOM 0 HD2 LYS A 150 -0.410 -24.048 1.659 1.00 0.00 H new ATOM 0 HD3 LYS A 150 -0.147 -25.760 1.394 1.00 0.00 H new ATOM 0 HE2 LYS A 150 -1.072 -26.374 3.437 1.00 0.00 H new ATOM 0 HE3 LYS A 150 -0.631 -24.868 4.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 150 -3.010 -25.009 3.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 150 -2.363 -23.735 2.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 150 -2.790 -25.195 2.192 1.00 0.00 H new ATOM 702 N PRO A 151 4.314 -22.277 3.309 1.00 0.00 N ATOM 703 CA PRO A 151 5.702 -21.834 3.469 1.00 0.00 C ATOM 704 C PRO A 151 6.618 -22.399 2.389 1.00 0.00 C ATOM 705 O PRO A 151 6.817 -23.610 2.301 1.00 0.00 O ATOM 706 CB PRO A 151 6.093 -22.382 4.843 1.00 0.00 C ATOM 707 CG PRO A 151 5.199 -23.555 5.052 1.00 0.00 C ATOM 708 CD PRO A 151 3.904 -23.215 4.367 1.00 0.00 C ATOM 0 HA PRO A 151 5.797 -20.751 3.384 1.00 0.00 H new ATOM 0 HB2 PRO A 151 7.143 -22.675 4.868 1.00 0.00 H new ATOM 0 HB3 PRO A 151 5.952 -21.633 5.622 1.00 0.00 H new ATOM 0 HG2 PRO A 151 5.637 -24.460 4.631 1.00 0.00 H new ATOM 0 HG3 PRO A 151 5.042 -23.741 6.114 1.00 0.00 H new ATOM 0 HD2 PRO A 151 3.423 -24.102 3.954 1.00 0.00 H new ATOM 0 HD3 PRO A 151 3.193 -22.758 5.056 1.00 0.00 H new ATOM 716 N GLY A 152 7.176 -21.513 1.569 1.00 0.00 N ATOM 717 CA GLY A 152 8.065 -21.944 0.506 1.00 0.00 C ATOM 718 C GLY A 152 7.383 -21.964 -0.848 1.00 0.00 C ATOM 719 O GLY A 152 8.047 -21.987 -1.883 1.00 0.00 O ATOM 0 H GLY A 152 7.028 -20.505 1.622 1.00 0.00 H new ATOM 0 HA2 GLY A 152 8.927 -21.278 0.465 1.00 0.00 H new ATOM 0 HA3 GLY A 152 8.442 -22.941 0.734 1.00 0.00 H new ATOM 723 N GLU A 153 6.054 -21.958 -0.839 1.00 0.00 N ATOM 724 CA GLU A 153 5.283 -21.979 -2.077 1.00 0.00 C ATOM 725 C GLU A 153 5.301 -20.611 -2.752 1.00 0.00 C ATOM 726 O GLU A 153 6.056 -19.722 -2.358 1.00 0.00 O ATOM 727 CB GLU A 153 3.839 -22.403 -1.797 1.00 0.00 C ATOM 728 CG GLU A 153 3.726 -23.699 -1.012 1.00 0.00 C ATOM 729 CD GLU A 153 4.590 -24.805 -1.586 1.00 0.00 C ATOM 730 OE1 GLU A 153 4.167 -25.433 -2.579 1.00 0.00 O ATOM 731 OE2 GLU A 153 5.689 -25.043 -1.042 1.00 0.00 O ATOM 0 H GLU A 153 5.489 -21.939 0.010 1.00 0.00 H new ATOM 0 HA GLU A 153 5.743 -22.703 -2.750 1.00 0.00 H new ATOM 0 HB2 GLU A 153 3.337 -21.609 -1.245 1.00 0.00 H new ATOM 0 HB3 GLU A 153 3.312 -22.515 -2.745 1.00 0.00 H new ATOM 0 HG2 GLU A 153 4.014 -23.519 0.024 1.00 0.00 H new ATOM 0 HG3 GLU A 153 2.686 -24.024 -1.002 1.00 0.00 H new ATOM 738 N SER A 154 4.465 -20.450 -3.773 1.00 0.00 N ATOM 739 CA SER A 154 4.387 -19.193 -4.507 1.00 0.00 C ATOM 740 C SER A 154 3.359 -18.258 -3.877 1.00 0.00 C ATOM 741 O SER A 154 2.192 -18.615 -3.722 1.00 0.00 O ATOM 742 CB SER A 154 4.026 -19.453 -5.971 1.00 0.00 C ATOM 743 OG SER A 154 5.189 -19.526 -6.777 1.00 0.00 O ATOM 0 H SER A 154 3.832 -21.175 -4.111 1.00 0.00 H new ATOM 0 HA SER A 154 5.365 -18.714 -4.461 1.00 0.00 H new ATOM 0 HB2 SER A 154 3.465 -20.384 -6.051 1.00 0.00 H new ATOM 0 HB3 SER A 154 3.376 -18.657 -6.336 1.00 0.00 H new ATOM 0 HG SER A 154 4.932 -19.694 -7.708 1.00 0.00 H new ATOM 749 N ALA A 155 3.803 -17.059 -3.515 1.00 0.00 N ATOM 750 CA ALA A 155 2.922 -16.071 -2.903 1.00 0.00 C ATOM 751 C ALA A 155 1.657 -15.875 -3.732 1.00 0.00 C ATOM 752 O ALA A 155 1.593 -16.289 -4.889 1.00 0.00 O ATOM 753 CB ALA A 155 3.653 -14.748 -2.730 1.00 0.00 C ATOM 0 H ALA A 155 4.767 -16.748 -3.635 1.00 0.00 H new ATOM 0 HA ALA A 155 2.627 -16.442 -1.921 1.00 0.00 H new ATOM 0 HB1 ALA A 155 2.984 -14.020 -2.272 1.00 0.00 H new ATOM 0 HB2 ALA A 155 4.523 -14.894 -2.090 1.00 0.00 H new ATOM 0 HB3 ALA A 155 3.977 -14.381 -3.704 1.00 0.00 H new ATOM 759 N GLU A 156 0.654 -15.242 -3.132 1.00 0.00 N ATOM 760 CA GLU A 156 -0.609 -14.993 -3.816 1.00 0.00 C ATOM 761 C GLU A 156 -0.837 -13.497 -4.011 1.00 0.00 C ATOM 762 O GLU A 156 -1.012 -12.753 -3.046 1.00 0.00 O ATOM 763 CB GLU A 156 -1.771 -15.598 -3.025 1.00 0.00 C ATOM 764 CG GLU A 156 -2.626 -16.557 -3.837 1.00 0.00 C ATOM 765 CD GLU A 156 -4.045 -16.056 -4.026 1.00 0.00 C ATOM 766 OE1 GLU A 156 -4.235 -15.084 -4.787 1.00 0.00 O ATOM 767 OE2 GLU A 156 -4.965 -16.636 -3.413 1.00 0.00 O ATOM 0 H GLU A 156 0.692 -14.893 -2.174 1.00 0.00 H new ATOM 0 HA GLU A 156 -0.561 -15.466 -4.797 1.00 0.00 H new ATOM 0 HB2 GLU A 156 -1.374 -16.124 -2.157 1.00 0.00 H new ATOM 0 HB3 GLU A 156 -2.401 -14.793 -2.648 1.00 0.00 H new ATOM 0 HG2 GLU A 156 -2.166 -16.711 -4.813 1.00 0.00 H new ATOM 0 HG3 GLU A 156 -2.650 -17.527 -3.340 1.00 0.00 H new ATOM 774 N VAL A 157 -0.833 -13.062 -5.267 1.00 0.00 N ATOM 775 CA VAL A 157 -1.039 -11.656 -5.590 1.00 0.00 C ATOM 776 C VAL A 157 -2.460 -11.408 -6.086 1.00 0.00 C ATOM 777 O VAL A 157 -2.777 -11.601 -7.260 1.00 0.00 O ATOM 778 CB VAL A 157 -0.043 -11.174 -6.661 1.00 0.00 C ATOM 779 CG1 VAL A 157 -0.208 -9.683 -6.912 1.00 0.00 C ATOM 780 CG2 VAL A 157 1.384 -11.497 -6.244 1.00 0.00 C ATOM 0 H VAL A 157 -0.689 -13.664 -6.078 1.00 0.00 H new ATOM 0 HA VAL A 157 -0.874 -11.093 -4.671 1.00 0.00 H new ATOM 0 HB VAL A 157 -0.254 -11.700 -7.592 1.00 0.00 H new ATOM 0 HG11 VAL A 157 0.504 -9.361 -7.672 1.00 0.00 H new ATOM 0 HG12 VAL A 157 -1.222 -9.482 -7.257 1.00 0.00 H new ATOM 0 HG13 VAL A 157 -0.024 -9.136 -5.987 1.00 0.00 H new ATOM 0 HG21 VAL A 157 2.075 -11.150 -7.012 1.00 0.00 H new ATOM 0 HG22 VAL A 157 1.609 -10.999 -5.301 1.00 0.00 H new ATOM 0 HG23 VAL A 157 1.492 -12.575 -6.120 1.00 0.00 H new ATOM 790 N PRO A 158 -3.338 -10.971 -5.171 1.00 0.00 N ATOM 791 CA PRO A 158 -4.739 -10.686 -5.492 1.00 0.00 C ATOM 792 C PRO A 158 -4.893 -9.451 -6.374 1.00 0.00 C ATOM 793 O PRO A 158 -3.999 -8.610 -6.467 1.00 0.00 O ATOM 794 CB PRO A 158 -5.376 -10.446 -4.121 1.00 0.00 C ATOM 795 CG PRO A 158 -4.250 -9.997 -3.254 1.00 0.00 C ATOM 796 CD PRO A 158 -3.029 -10.719 -3.753 1.00 0.00 C ATOM 0 HA PRO A 158 -5.200 -11.497 -6.056 1.00 0.00 H new ATOM 0 HB2 PRO A 158 -6.160 -9.690 -4.175 1.00 0.00 H new ATOM 0 HB3 PRO A 158 -5.836 -11.355 -3.733 1.00 0.00 H new ATOM 0 HG2 PRO A 158 -4.117 -8.917 -3.316 1.00 0.00 H new ATOM 0 HG3 PRO A 158 -4.444 -10.235 -2.208 1.00 0.00 H new ATOM 0 HD2 PRO A 158 -2.130 -10.114 -3.639 1.00 0.00 H new ATOM 0 HD3 PRO A 158 -2.860 -11.647 -3.207 1.00 0.00 H new ATOM 804 N PRO A 159 -6.054 -9.338 -7.036 1.00 0.00 N ATOM 805 CA PRO A 159 -6.352 -8.208 -7.922 1.00 0.00 C ATOM 806 C PRO A 159 -6.550 -6.906 -7.153 1.00 0.00 C ATOM 807 O PRO A 159 -6.036 -5.858 -7.545 1.00 0.00 O ATOM 808 CB PRO A 159 -7.655 -8.628 -8.606 1.00 0.00 C ATOM 809 CG PRO A 159 -8.293 -9.580 -7.655 1.00 0.00 C ATOM 810 CD PRO A 159 -7.164 -10.302 -6.972 1.00 0.00 C ATOM 0 HA PRO A 159 -5.536 -8.007 -8.616 1.00 0.00 H new ATOM 0 HB2 PRO A 159 -8.297 -7.768 -8.796 1.00 0.00 H new ATOM 0 HB3 PRO A 159 -7.462 -9.100 -9.569 1.00 0.00 H new ATOM 0 HG2 PRO A 159 -8.913 -9.052 -6.931 1.00 0.00 H new ATOM 0 HG3 PRO A 159 -8.943 -10.280 -8.180 1.00 0.00 H new ATOM 0 HD2 PRO A 159 -7.415 -10.558 -5.943 1.00 0.00 H new ATOM 0 HD3 PRO A 159 -6.917 -11.234 -7.481 1.00 0.00 H new ATOM 818 N VAL A 160 -7.299 -6.979 -6.057 1.00 0.00 N ATOM 819 CA VAL A 160 -7.563 -5.806 -5.232 1.00 0.00 C ATOM 820 C VAL A 160 -6.749 -5.844 -3.944 1.00 0.00 C ATOM 821 O VAL A 160 -6.773 -6.834 -3.212 1.00 0.00 O ATOM 822 CB VAL A 160 -9.058 -5.694 -4.879 1.00 0.00 C ATOM 823 CG1 VAL A 160 -9.577 -7.014 -4.328 1.00 0.00 C ATOM 824 CG2 VAL A 160 -9.287 -4.565 -3.885 1.00 0.00 C ATOM 0 H VAL A 160 -7.734 -7.838 -5.720 1.00 0.00 H new ATOM 0 HA VAL A 160 -7.269 -4.935 -5.817 1.00 0.00 H new ATOM 0 HB VAL A 160 -9.612 -5.465 -5.789 1.00 0.00 H new ATOM 0 HG11 VAL A 160 -10.635 -6.916 -4.084 1.00 0.00 H new ATOM 0 HG12 VAL A 160 -9.448 -7.796 -5.076 1.00 0.00 H new ATOM 0 HG13 VAL A 160 -9.020 -7.277 -3.429 1.00 0.00 H new ATOM 0 HG21 VAL A 160 -10.349 -4.500 -3.647 1.00 0.00 H new ATOM 0 HG22 VAL A 160 -8.722 -4.762 -2.974 1.00 0.00 H new ATOM 0 HG23 VAL A 160 -8.955 -3.623 -4.321 1.00 0.00 H new ATOM 834 N PHE A 161 -6.029 -4.761 -3.673 1.00 0.00 N ATOM 835 CA PHE A 161 -5.206 -4.671 -2.473 1.00 0.00 C ATOM 836 C PHE A 161 -5.646 -3.500 -1.599 1.00 0.00 C ATOM 837 O PHE A 161 -5.981 -2.427 -2.101 1.00 0.00 O ATOM 838 CB PHE A 161 -3.731 -4.514 -2.851 1.00 0.00 C ATOM 839 CG PHE A 161 -2.881 -3.974 -1.736 1.00 0.00 C ATOM 840 CD1 PHE A 161 -2.362 -4.822 -0.770 1.00 0.00 C ATOM 841 CD2 PHE A 161 -2.601 -2.620 -1.654 1.00 0.00 C ATOM 842 CE1 PHE A 161 -1.580 -4.327 0.257 1.00 0.00 C ATOM 843 CE2 PHE A 161 -1.819 -2.120 -0.629 1.00 0.00 C ATOM 844 CZ PHE A 161 -1.308 -2.975 0.327 1.00 0.00 C ATOM 0 H PHE A 161 -5.999 -3.933 -4.268 1.00 0.00 H new ATOM 0 HA PHE A 161 -5.332 -5.593 -1.906 1.00 0.00 H new ATOM 0 HB2 PHE A 161 -3.338 -5.483 -3.160 1.00 0.00 H new ATOM 0 HB3 PHE A 161 -3.653 -3.849 -3.711 1.00 0.00 H new ATOM 0 HD1 PHE A 161 -2.571 -5.880 -0.820 1.00 0.00 H new ATOM 0 HD2 PHE A 161 -2.998 -1.947 -2.399 1.00 0.00 H new ATOM 0 HE1 PHE A 161 -1.182 -4.997 1.004 1.00 0.00 H new ATOM 0 HE2 PHE A 161 -1.608 -1.062 -0.576 1.00 0.00 H new ATOM 0 HZ PHE A 161 -0.697 -2.587 1.128 1.00 0.00 H new ATOM 854 N TYR A 162 -5.642 -3.715 -0.288 1.00 0.00 N ATOM 855 CA TYR A 162 -6.044 -2.680 0.657 1.00 0.00 C ATOM 856 C TYR A 162 -5.050 -2.579 1.810 1.00 0.00 C ATOM 857 O TYR A 162 -4.772 -3.565 2.494 1.00 0.00 O ATOM 858 CB TYR A 162 -7.444 -2.971 1.201 1.00 0.00 C ATOM 859 CG TYR A 162 -8.554 -2.608 0.240 1.00 0.00 C ATOM 860 CD1 TYR A 162 -8.781 -1.287 -0.123 1.00 0.00 C ATOM 861 CD2 TYR A 162 -9.375 -3.588 -0.305 1.00 0.00 C ATOM 862 CE1 TYR A 162 -9.794 -0.951 -1.000 1.00 0.00 C ATOM 863 CE2 TYR A 162 -10.390 -3.261 -1.184 1.00 0.00 C ATOM 864 CZ TYR A 162 -10.596 -1.941 -1.528 1.00 0.00 C ATOM 865 OH TYR A 162 -11.605 -1.611 -2.402 1.00 0.00 O ATOM 0 H TYR A 162 -5.365 -4.596 0.144 1.00 0.00 H new ATOM 0 HA TYR A 162 -6.058 -1.727 0.128 1.00 0.00 H new ATOM 0 HB2 TYR A 162 -7.517 -4.031 1.444 1.00 0.00 H new ATOM 0 HB3 TYR A 162 -7.585 -2.420 2.131 1.00 0.00 H new ATOM 0 HD1 TYR A 162 -8.155 -0.509 0.287 1.00 0.00 H new ATOM 0 HD2 TYR A 162 -9.217 -4.622 -0.037 1.00 0.00 H new ATOM 0 HE1 TYR A 162 -9.957 0.082 -1.271 1.00 0.00 H new ATOM 0 HE2 TYR A 162 -11.019 -4.035 -1.599 1.00 0.00 H new ATOM 0 HH TYR A 162 -12.075 -2.424 -2.682 1.00 0.00 H new ATOM 875 N CYS A 163 -4.516 -1.380 2.020 1.00 0.00 N ATOM 876 CA CYS A 163 -3.553 -1.148 3.089 1.00 0.00 C ATOM 877 C CYS A 163 -4.143 -1.526 4.444 1.00 0.00 C ATOM 878 O CYS A 163 -5.258 -2.039 4.525 1.00 0.00 O ATOM 879 CB CYS A 163 -3.117 0.319 3.101 1.00 0.00 C ATOM 880 SG CYS A 163 -4.345 1.453 3.825 1.00 0.00 S ATOM 0 H CYS A 163 -4.735 -0.554 1.463 1.00 0.00 H new ATOM 0 HA CYS A 163 -2.683 -1.777 2.903 1.00 0.00 H new ATOM 0 HB2 CYS A 163 -2.185 0.405 3.659 1.00 0.00 H new ATOM 0 HB3 CYS A 163 -2.907 0.633 2.079 1.00 0.00 H new ATOM 885 N GLU A 164 -3.385 -1.267 5.506 1.00 0.00 N ATOM 886 CA GLU A 164 -3.833 -1.581 6.858 1.00 0.00 C ATOM 887 C GLU A 164 -5.093 -0.794 7.210 1.00 0.00 C ATOM 888 O GLU A 164 -6.059 -1.349 7.734 1.00 0.00 O ATOM 889 CB GLU A 164 -2.728 -1.274 7.869 1.00 0.00 C ATOM 890 CG GLU A 164 -2.201 0.149 7.783 1.00 0.00 C ATOM 891 CD GLU A 164 -0.715 0.239 8.070 1.00 0.00 C ATOM 892 OE1 GLU A 164 -0.347 0.401 9.252 1.00 0.00 O ATOM 893 OE2 GLU A 164 0.081 0.148 7.111 1.00 0.00 O ATOM 0 H GLU A 164 -2.459 -0.841 5.456 1.00 0.00 H new ATOM 0 HA GLU A 164 -4.067 -2.645 6.898 1.00 0.00 H new ATOM 0 HB2 GLU A 164 -3.108 -1.451 8.875 1.00 0.00 H new ATOM 0 HB3 GLU A 164 -1.902 -1.968 7.714 1.00 0.00 H new ATOM 0 HG2 GLU A 164 -2.400 0.547 6.788 1.00 0.00 H new ATOM 0 HG3 GLU A 164 -2.743 0.776 8.491 1.00 0.00 H new ATOM 900 N LEU A 165 -5.074 0.502 6.918 1.00 0.00 N ATOM 901 CA LEU A 165 -6.214 1.367 7.204 1.00 0.00 C ATOM 902 C LEU A 165 -7.499 0.783 6.625 1.00 0.00 C ATOM 903 O LEU A 165 -8.455 0.515 7.353 1.00 0.00 O ATOM 904 CB LEU A 165 -5.973 2.766 6.634 1.00 0.00 C ATOM 905 CG LEU A 165 -4.592 3.369 6.896 1.00 0.00 C ATOM 906 CD1 LEU A 165 -4.526 4.797 6.377 1.00 0.00 C ATOM 907 CD2 LEU A 165 -4.264 3.323 8.381 1.00 0.00 C ATOM 0 H LEU A 165 -4.283 0.977 6.484 1.00 0.00 H new ATOM 0 HA LEU A 165 -6.324 1.437 8.286 1.00 0.00 H new ATOM 0 HB2 LEU A 165 -6.133 2.730 5.556 1.00 0.00 H new ATOM 0 HB3 LEU A 165 -6.725 3.439 7.046 1.00 0.00 H new ATOM 0 HG LEU A 165 -3.850 2.776 6.362 1.00 0.00 H new ATOM 0 HD11 LEU A 165 -3.536 5.210 6.572 1.00 0.00 H new ATOM 0 HD12 LEU A 165 -4.717 4.803 5.304 1.00 0.00 H new ATOM 0 HD13 LEU A 165 -5.278 5.403 6.883 1.00 0.00 H new ATOM 0 HD21 LEU A 165 -3.278 3.756 8.549 1.00 0.00 H new ATOM 0 HD22 LEU A 165 -5.010 3.892 8.936 1.00 0.00 H new ATOM 0 HD23 LEU A 165 -4.269 2.288 8.723 1.00 0.00 H new ATOM 919 N CYS A 166 -7.513 0.587 5.310 1.00 0.00 N ATOM 920 CA CYS A 166 -8.679 0.034 4.632 1.00 0.00 C ATOM 921 C CYS A 166 -8.943 -1.399 5.085 1.00 0.00 C ATOM 922 O CYS A 166 -10.093 -1.817 5.222 1.00 0.00 O ATOM 923 CB CYS A 166 -8.480 0.073 3.116 1.00 0.00 C ATOM 924 SG CYS A 166 -8.147 1.737 2.452 1.00 0.00 S ATOM 0 H CYS A 166 -6.730 0.803 4.693 1.00 0.00 H new ATOM 0 HA CYS A 166 -9.543 0.644 4.894 1.00 0.00 H new ATOM 0 HB2 CYS A 166 -7.652 -0.584 2.852 1.00 0.00 H new ATOM 0 HB3 CYS A 166 -9.371 -0.328 2.633 1.00 0.00 H new ATOM 929 N ARG A 167 -7.869 -2.148 5.316 1.00 0.00 N ATOM 930 CA ARG A 167 -7.983 -3.534 5.753 1.00 0.00 C ATOM 931 C ARG A 167 -8.849 -3.640 7.005 1.00 0.00 C ATOM 932 O ARG A 167 -9.848 -4.360 7.023 1.00 0.00 O ATOM 933 CB ARG A 167 -6.597 -4.121 6.026 1.00 0.00 C ATOM 934 CG ARG A 167 -5.998 -4.849 4.834 1.00 0.00 C ATOM 935 CD ARG A 167 -5.820 -6.332 5.119 1.00 0.00 C ATOM 936 NE ARG A 167 -4.487 -6.635 5.632 1.00 0.00 N ATOM 937 CZ ARG A 167 -4.095 -7.854 5.985 1.00 0.00 C ATOM 938 NH1 ARG A 167 -4.930 -8.878 5.882 1.00 0.00 N ATOM 939 NH2 ARG A 167 -2.865 -8.050 6.444 1.00 0.00 N ATOM 0 H ARG A 167 -6.910 -1.818 5.208 1.00 0.00 H new ATOM 0 HA ARG A 167 -8.459 -4.103 4.954 1.00 0.00 H new ATOM 0 HB2 ARG A 167 -5.924 -3.318 6.326 1.00 0.00 H new ATOM 0 HB3 ARG A 167 -6.663 -4.812 6.867 1.00 0.00 H new ATOM 0 HG2 ARG A 167 -6.643 -4.719 3.965 1.00 0.00 H new ATOM 0 HG3 ARG A 167 -5.034 -4.407 4.584 1.00 0.00 H new ATOM 0 HD2 ARG A 167 -6.569 -6.654 5.843 1.00 0.00 H new ATOM 0 HD3 ARG A 167 -5.994 -6.900 4.205 1.00 0.00 H new ATOM 0 HE ARG A 167 -3.820 -5.869 5.724 1.00 0.00 H new ATOM 0 HH11 ARG A 167 -5.876 -8.731 5.531 1.00 0.00 H new ATOM 0 HH12 ARG A 167 -4.626 -9.813 6.154 1.00 0.00 H new ATOM 0 HH21 ARG A 167 -2.220 -7.264 6.526 1.00 0.00 H new ATOM 0 HH22 ARG A 167 -2.565 -8.986 6.715 1.00 0.00 H new ATOM 953 N LEU A 168 -8.459 -2.919 8.050 1.00 0.00 N ATOM 954 CA LEU A 168 -9.198 -2.932 9.307 1.00 0.00 C ATOM 955 C LEU A 168 -10.541 -2.224 9.157 1.00 0.00 C ATOM 956 O LEU A 168 -11.530 -2.609 9.779 1.00 0.00 O ATOM 957 CB LEU A 168 -8.377 -2.264 10.412 1.00 0.00 C ATOM 958 CG LEU A 168 -7.446 -3.182 11.204 1.00 0.00 C ATOM 959 CD1 LEU A 168 -6.471 -2.364 12.037 1.00 0.00 C ATOM 960 CD2 LEU A 168 -8.250 -4.121 12.091 1.00 0.00 C ATOM 0 H LEU A 168 -7.635 -2.318 8.052 1.00 0.00 H new ATOM 0 HA LEU A 168 -9.384 -3.971 9.579 1.00 0.00 H new ATOM 0 HB2 LEU A 168 -7.778 -1.472 9.963 1.00 0.00 H new ATOM 0 HB3 LEU A 168 -9.065 -1.787 11.110 1.00 0.00 H new ATOM 0 HG LEU A 168 -6.873 -3.783 10.498 1.00 0.00 H new ATOM 0 HD11 LEU A 168 -5.816 -3.035 12.594 1.00 0.00 H new ATOM 0 HD12 LEU A 168 -5.871 -1.734 11.380 1.00 0.00 H new ATOM 0 HD13 LEU A 168 -7.026 -1.737 12.735 1.00 0.00 H new ATOM 0 HD21 LEU A 168 -7.571 -4.767 12.647 1.00 0.00 H new ATOM 0 HD22 LEU A 168 -8.849 -3.537 12.790 1.00 0.00 H new ATOM 0 HD23 LEU A 168 -8.907 -4.732 11.472 1.00 0.00 H new ATOM 972 N SER A 169 -10.567 -1.187 8.325 1.00 0.00 N ATOM 973 CA SER A 169 -11.788 -0.424 8.094 1.00 0.00 C ATOM 974 C SER A 169 -12.843 -1.283 7.404 1.00 0.00 C ATOM 975 O SER A 169 -14.042 -1.041 7.541 1.00 0.00 O ATOM 976 CB SER A 169 -11.487 0.814 7.246 1.00 0.00 C ATOM 977 OG SER A 169 -12.641 1.244 6.545 1.00 0.00 O ATOM 0 H SER A 169 -9.757 -0.856 7.800 1.00 0.00 H new ATOM 0 HA SER A 169 -12.179 -0.108 9.061 1.00 0.00 H new ATOM 0 HB2 SER A 169 -11.126 1.619 7.887 1.00 0.00 H new ATOM 0 HB3 SER A 169 -10.690 0.588 6.537 1.00 0.00 H new ATOM 0 HG SER A 169 -12.423 2.037 6.012 1.00 0.00 H new ATOM 983 N ARG A 170 -12.387 -2.287 6.662 1.00 0.00 N ATOM 984 CA ARG A 170 -13.291 -3.182 5.949 1.00 0.00 C ATOM 985 C ARG A 170 -13.466 -4.494 6.707 1.00 0.00 C ATOM 986 O ARG A 170 -14.453 -5.204 6.519 1.00 0.00 O ATOM 987 CB ARG A 170 -12.761 -3.460 4.541 1.00 0.00 C ATOM 988 CG ARG A 170 -12.735 -2.232 3.646 1.00 0.00 C ATOM 989 CD ARG A 170 -11.660 -2.344 2.577 1.00 0.00 C ATOM 990 NE ARG A 170 -12.045 -1.669 1.341 1.00 0.00 N ATOM 991 CZ ARG A 170 -12.117 -0.349 1.216 1.00 0.00 C ATOM 992 NH1 ARG A 170 -11.832 0.434 2.247 1.00 0.00 N ATOM 993 NH2 ARG A 170 -12.475 0.191 0.058 1.00 0.00 N ATOM 0 H ARG A 170 -11.397 -2.501 6.539 1.00 0.00 H new ATOM 0 HA ARG A 170 -14.263 -2.694 5.874 1.00 0.00 H new ATOM 0 HB2 ARG A 170 -11.752 -3.866 4.615 1.00 0.00 H new ATOM 0 HB3 ARG A 170 -13.380 -4.226 4.074 1.00 0.00 H new ATOM 0 HG2 ARG A 170 -13.709 -2.105 3.172 1.00 0.00 H new ATOM 0 HG3 ARG A 170 -12.557 -1.343 4.251 1.00 0.00 H new ATOM 0 HD2 ARG A 170 -10.731 -1.914 2.951 1.00 0.00 H new ATOM 0 HD3 ARG A 170 -11.463 -3.396 2.369 1.00 0.00 H new ATOM 0 HE ARG A 170 -12.271 -2.243 0.529 1.00 0.00 H new ATOM 0 HH11 ARG A 170 -11.557 0.023 3.139 1.00 0.00 H new ATOM 0 HH12 ARG A 170 -11.888 1.448 2.148 1.00 0.00 H new ATOM 0 HH21 ARG A 170 -12.695 -0.408 -0.738 1.00 0.00 H new ATOM 0 HH22 ARG A 170 -12.530 1.205 -0.037 1.00 0.00 H new ATOM 1007 N ALA A 171 -12.500 -4.810 7.564 1.00 0.00 N ATOM 1008 CA ALA A 171 -12.548 -6.036 8.351 1.00 0.00 C ATOM 1009 C ALA A 171 -12.606 -7.265 7.450 1.00 0.00 C ATOM 1010 O ALA A 171 -13.147 -8.303 7.832 1.00 0.00 O ATOM 1011 CB ALA A 171 -13.744 -6.013 9.291 1.00 0.00 C ATOM 0 H ALA A 171 -11.675 -4.234 7.731 1.00 0.00 H new ATOM 0 HA ALA A 171 -11.635 -6.094 8.943 1.00 0.00 H new ATOM 0 HB1 ALA A 171 -13.767 -6.935 9.873 1.00 0.00 H new ATOM 0 HB2 ALA A 171 -13.661 -5.161 9.965 1.00 0.00 H new ATOM 0 HB3 ALA A 171 -14.662 -5.927 8.710 1.00 0.00 H new ATOM 1017 N ASP A 172 -12.045 -7.141 6.252 1.00 0.00 N ATOM 1018 CA ASP A 172 -12.032 -8.243 5.296 1.00 0.00 C ATOM 1019 C ASP A 172 -13.451 -8.627 4.890 1.00 0.00 C ATOM 1020 O ASP A 172 -13.837 -8.385 3.748 1.00 0.00 O ATOM 1021 CB ASP A 172 -11.313 -9.454 5.892 1.00 0.00 C ATOM 1022 CG ASP A 172 -10.057 -9.817 5.124 1.00 0.00 C ATOM 1023 OD1 ASP A 172 -10.051 -9.656 3.885 1.00 0.00 O ATOM 1024 OD2 ASP A 172 -9.079 -10.261 5.762 1.00 0.00 O ATOM 0 H ASP A 172 -11.593 -6.289 5.920 1.00 0.00 H new ATOM 0 HA ASP A 172 -11.496 -7.914 4.406 1.00 0.00 H new ATOM 0 HB2 ASP A 172 -11.053 -9.244 6.930 1.00 0.00 H new ATOM 0 HB3 ASP A 172 -11.990 -10.308 5.899 1.00 0.00 H new TER 1029 ASP A 172 HETATM 1030 ZN ZN A 901 7.909 -3.081 2.415 1.00 0.00 ZN HETATM 1031 ZN ZN A 902 -5.808 1.989 1.937 1.00 0.00 ZN