USER MOD reduce.3.24.130724 H: found=0, std=0, add=272, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 273 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 Single : A 96 THR OG1 : rot -36:sc=-0.00961! USER MOD Single : A 98 ASN : amide:sc= -0.0132 K(o=-0.013,f=-0.8) USER MOD Single : A 99 SER OG : rot 35:sc= 0.276 USER MOD Single : A 101 LYS NZ :NH3+ 143:sc= -0.0992 (180deg=-0.401) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 124 TYR OH : rot 180:sc= 0 USER MOD Single : A 129 SER OG : rot 122:sc= 0.169 USER MOD Single : A 131 ASN : amide:sc= -0.144 K(o=-0.14,f=-2.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 93 8.278 20.931 -20.307 1.00 55.53 N ATOM 2 CA CYS A 93 8.597 20.545 -18.938 1.00 64.13 C ATOM 3 C CYS A 93 9.997 21.016 -18.554 1.00 21.41 C ATOM 4 O CYS A 93 10.668 21.701 -19.327 1.00 20.13 O ATOM 5 CB CYS A 93 8.496 19.027 -18.777 1.00 13.41 C ATOM 6 SG CYS A 93 9.345 18.082 -20.082 1.00 72.32 S ATOM 0 HA CYS A 93 7.876 21.022 -18.274 1.00 64.13 H new ATOM 0 HB2 CYS A 93 8.914 18.746 -17.810 1.00 13.41 H new ATOM 0 HB3 CYS A 93 7.444 18.743 -18.764 1.00 13.41 H new ATOM 11 N VAL A 94 10.432 20.643 -17.354 1.00 41.01 N ATOM 12 CA VAL A 94 11.752 21.025 -16.867 1.00 3.21 C ATOM 13 C VAL A 94 12.804 19.995 -17.265 1.00 63.10 C ATOM 14 O VAL A 94 12.656 18.804 -16.992 1.00 1.53 O ATOM 15 CB VAL A 94 11.761 21.186 -15.335 1.00 73.54 C ATOM 16 CG1 VAL A 94 13.150 20.919 -14.777 1.00 60.42 C ATOM 17 CG2 VAL A 94 11.277 22.574 -14.943 1.00 63.42 C ATOM 0 H VAL A 94 9.889 20.077 -16.702 1.00 41.01 H new ATOM 0 HA VAL A 94 11.993 21.983 -17.327 1.00 3.21 H new ATOM 0 HB VAL A 94 11.078 20.453 -14.906 1.00 73.54 H new ATOM 0 HG11 VAL A 94 13.136 21.038 -13.694 1.00 60.42 H new ATOM 0 HG12 VAL A 94 13.453 19.902 -15.027 1.00 60.42 H new ATOM 0 HG13 VAL A 94 13.858 21.625 -15.210 1.00 60.42 H new ATOM 0 HG21 VAL A 94 11.290 22.671 -13.857 1.00 63.42 H new ATOM 0 HG22 VAL A 94 11.933 23.326 -15.382 1.00 63.42 H new ATOM 0 HG23 VAL A 94 10.261 22.722 -15.309 1.00 63.42 H new ATOM 27 N ALA A 95 13.868 20.463 -17.911 1.00 34.13 N ATOM 28 CA ALA A 95 14.946 19.583 -18.344 1.00 74.24 C ATOM 29 C ALA A 95 15.719 19.032 -17.150 1.00 14.31 C ATOM 30 O ALA A 95 15.646 17.841 -16.845 1.00 52.05 O ATOM 31 CB ALA A 95 15.884 20.322 -19.287 1.00 12.43 C ATOM 0 H ALA A 95 14.006 21.446 -18.146 1.00 34.13 H new ATOM 0 HA ALA A 95 14.503 18.741 -18.876 1.00 74.24 H new ATOM 0 HB1 ALA A 95 16.684 19.653 -19.602 1.00 12.43 H new ATOM 0 HB2 ALA A 95 15.328 20.661 -20.161 1.00 12.43 H new ATOM 0 HB3 ALA A 95 16.312 21.183 -18.774 1.00 12.43 H new ATOM 37 N THR A 96 16.459 19.907 -16.476 1.00 53.30 N ATOM 38 CA THR A 96 17.247 19.508 -15.316 1.00 71.32 C ATOM 39 C THR A 96 17.651 20.718 -14.483 1.00 52.22 C ATOM 40 O THR A 96 17.874 21.805 -15.018 1.00 65.05 O ATOM 41 CB THR A 96 18.515 18.741 -15.736 1.00 12.22 C ATOM 42 OG1 THR A 96 18.210 17.835 -16.802 1.00 43.53 O ATOM 43 CG2 THR A 96 19.095 17.970 -14.560 1.00 41.20 C ATOM 0 H THR A 96 16.529 20.896 -16.713 1.00 53.30 H new ATOM 0 HA THR A 96 16.616 18.852 -14.716 1.00 71.32 H new ATOM 0 HB THR A 96 19.255 19.466 -16.076 1.00 12.22 H new ATOM 0 HG1 THR A 96 17.312 17.466 -16.671 1.00 43.53 H new ATOM 0 HG21 THR A 96 19.990 17.436 -14.881 1.00 41.20 H new ATOM 0 HG22 THR A 96 19.354 18.665 -13.761 1.00 41.20 H new ATOM 0 HG23 THR A 96 18.358 17.255 -14.194 1.00 41.20 H new ATOM 51 N ARG A 97 17.744 20.525 -13.172 1.00 24.31 N ATOM 52 CA ARG A 97 18.121 21.602 -12.265 1.00 60.04 C ATOM 53 C ARG A 97 17.474 22.918 -12.685 1.00 72.01 C ATOM 54 O ARG A 97 18.097 23.977 -12.615 1.00 15.33 O ATOM 55 CB ARG A 97 19.642 21.757 -12.229 1.00 63.23 C ATOM 56 CG ARG A 97 20.228 22.322 -13.513 1.00 75.11 C ATOM 57 CD ARG A 97 20.701 21.215 -14.444 1.00 3.42 C ATOM 58 NE ARG A 97 20.604 21.603 -15.848 1.00 53.24 N ATOM 59 CZ ARG A 97 21.510 22.350 -16.469 1.00 55.44 C ATOM 60 NH1 ARG A 97 22.575 22.789 -15.813 1.00 32.10 N ATOM 61 NH2 ARG A 97 21.351 22.660 -17.750 1.00 3.11 N ATOM 0 H ARG A 97 17.563 19.632 -12.714 1.00 24.31 H new ATOM 0 HA ARG A 97 17.765 21.345 -11.267 1.00 60.04 H new ATOM 0 HB2 ARG A 97 19.913 22.409 -11.399 1.00 63.23 H new ATOM 0 HB3 ARG A 97 20.093 20.785 -12.031 1.00 63.23 H new ATOM 0 HG2 ARG A 97 19.478 22.930 -14.020 1.00 75.11 H new ATOM 0 HG3 ARG A 97 21.064 22.980 -13.274 1.00 75.11 H new ATOM 0 HD2 ARG A 97 21.734 20.960 -14.209 1.00 3.42 H new ATOM 0 HD3 ARG A 97 20.105 20.318 -14.274 1.00 3.42 H new ATOM 0 HE ARG A 97 19.796 21.283 -16.382 1.00 53.24 H new ATOM 0 HH11 ARG A 97 22.701 22.553 -14.829 1.00 32.10 H new ATOM 0 HH12 ARG A 97 23.269 23.362 -16.293 1.00 32.10 H new ATOM 0 HH21 ARG A 97 20.533 22.325 -18.258 1.00 3.11 H new ATOM 0 HH22 ARG A 97 22.047 23.234 -18.226 1.00 3.11 H new ATOM 75 N ASN A 98 16.221 22.843 -13.123 1.00 63.21 N ATOM 76 CA ASN A 98 15.491 24.027 -13.556 1.00 12.51 C ATOM 77 C ASN A 98 14.570 24.534 -12.449 1.00 24.41 C ATOM 78 O ASN A 98 14.777 25.618 -11.904 1.00 74.13 O ATOM 79 CB ASN A 98 14.673 23.717 -14.812 1.00 43.42 C ATOM 80 CG ASN A 98 14.553 24.916 -15.734 1.00 61.21 C ATOM 81 OD1 ASN A 98 14.697 26.060 -15.305 1.00 1.44 O ATOM 82 ND2 ASN A 98 14.288 24.657 -17.010 1.00 33.45 N ATOM 0 H ASN A 98 15.691 21.974 -13.187 1.00 63.21 H new ATOM 0 HA ASN A 98 16.217 24.806 -13.786 1.00 12.51 H new ATOM 0 HB2 ASN A 98 15.139 22.892 -15.351 1.00 43.42 H new ATOM 0 HB3 ASN A 98 13.677 23.385 -14.521 1.00 43.42 H new ATOM 0 HD21 ASN A 98 14.196 25.423 -17.677 1.00 33.45 H new ATOM 0 HD22 ASN A 98 14.176 23.692 -17.322 1.00 33.45 H new ATOM 89 N SER A 99 13.556 23.740 -12.122 1.00 51.42 N ATOM 90 CA SER A 99 12.602 24.109 -11.082 1.00 73.11 C ATOM 91 C SER A 99 11.939 22.870 -10.489 1.00 10.01 C ATOM 92 O SER A 99 11.690 21.888 -11.190 1.00 40.11 O ATOM 93 CB SER A 99 11.537 25.050 -11.648 1.00 11.21 C ATOM 94 OG SER A 99 11.910 26.406 -11.474 1.00 54.32 O ATOM 0 H SER A 99 13.374 22.838 -12.561 1.00 51.42 H new ATOM 0 HA SER A 99 13.146 24.623 -10.290 1.00 73.11 H new ATOM 0 HB2 SER A 99 11.391 24.843 -12.708 1.00 11.21 H new ATOM 0 HB3 SER A 99 10.584 24.865 -11.153 1.00 11.21 H new ATOM 0 HG SER A 99 12.882 26.492 -11.562 1.00 54.32 H new ATOM 100 N CYS A 100 11.655 22.921 -9.192 1.00 42.32 N ATOM 101 CA CYS A 100 11.021 21.804 -8.502 1.00 42.54 C ATOM 102 C CYS A 100 9.509 21.996 -8.432 1.00 2.51 C ATOM 103 O CYS A 100 8.949 22.863 -9.104 1.00 3.22 O ATOM 104 CB CYS A 100 11.594 21.658 -7.091 1.00 30.02 C ATOM 105 SG CYS A 100 12.641 20.184 -6.863 1.00 54.13 S ATOM 0 H CYS A 100 11.854 23.725 -8.597 1.00 42.32 H new ATOM 0 HA CYS A 100 11.228 20.895 -9.067 1.00 42.54 H new ATOM 0 HB2 CYS A 100 12.179 22.547 -6.854 1.00 30.02 H new ATOM 0 HB3 CYS A 100 10.770 21.619 -6.378 1.00 30.02 H new ATOM 110 N LYS A 101 8.852 21.182 -7.612 1.00 72.23 N ATOM 111 CA LYS A 101 7.406 21.262 -7.451 1.00 33.14 C ATOM 112 C LYS A 101 6.690 20.801 -8.717 1.00 30.41 C ATOM 113 O LYS A 101 6.192 21.604 -9.505 1.00 25.41 O ATOM 114 CB LYS A 101 6.987 22.693 -7.110 1.00 4.53 C ATOM 115 CG LYS A 101 7.896 23.366 -6.095 1.00 14.44 C ATOM 116 CD LYS A 101 7.993 22.559 -4.811 1.00 72.34 C ATOM 117 CE LYS A 101 8.891 23.239 -3.790 1.00 43.53 C ATOM 118 NZ LYS A 101 8.475 24.647 -3.536 1.00 62.31 N ATOM 0 H LYS A 101 9.299 20.459 -7.048 1.00 72.23 H new ATOM 0 HA LYS A 101 7.122 20.601 -6.632 1.00 33.14 H new ATOM 0 HB2 LYS A 101 6.974 23.287 -8.024 1.00 4.53 H new ATOM 0 HB3 LYS A 101 5.968 22.682 -6.722 1.00 4.53 H new ATOM 0 HG2 LYS A 101 8.891 23.491 -6.523 1.00 14.44 H new ATOM 0 HG3 LYS A 101 7.517 24.363 -5.871 1.00 14.44 H new ATOM 0 HD2 LYS A 101 6.997 22.425 -4.389 1.00 72.34 H new ATOM 0 HD3 LYS A 101 8.381 21.565 -5.034 1.00 72.34 H new ATOM 0 HE2 LYS A 101 8.867 22.679 -2.855 1.00 43.53 H new ATOM 0 HE3 LYS A 101 9.921 23.223 -4.145 1.00 43.53 H new ATOM 0 HZ1 LYS A 101 8.609 24.872 -2.530 1.00 62.31 H new ATOM 0 HZ2 LYS A 101 9.053 25.289 -4.115 1.00 62.31 H new ATOM 0 HZ3 LYS A 101 7.472 24.763 -3.786 1.00 62.31 H new ATOM 132 N PRO A 102 6.635 19.475 -8.917 1.00 65.20 N ATOM 133 CA PRO A 102 5.982 18.878 -10.084 1.00 61.43 C ATOM 134 C PRO A 102 4.466 19.033 -10.043 1.00 34.44 C ATOM 135 O PRO A 102 3.738 18.060 -9.847 1.00 10.44 O ATOM 136 CB PRO A 102 6.371 17.399 -9.992 1.00 4.43 C ATOM 137 CG PRO A 102 6.639 17.169 -8.544 1.00 2.40 C ATOM 138 CD PRO A 102 7.207 18.458 -8.018 1.00 42.15 C ATOM 0 HA PRO A 102 6.292 19.357 -11.013 1.00 61.43 H new ATOM 0 HB2 PRO A 102 5.569 16.755 -10.354 1.00 4.43 H new ATOM 0 HB3 PRO A 102 7.251 17.182 -10.597 1.00 4.43 H new ATOM 0 HG2 PRO A 102 5.724 16.901 -8.016 1.00 2.40 H new ATOM 0 HG3 PRO A 102 7.341 16.347 -8.403 1.00 2.40 H new ATOM 0 HD2 PRO A 102 6.919 18.631 -6.981 1.00 42.15 H new ATOM 0 HD3 PRO A 102 8.297 18.460 -8.051 1.00 42.15 H new ATOM 146 N ALA A 103 3.996 20.262 -10.229 1.00 52.13 N ATOM 147 CA ALA A 103 2.566 20.543 -10.215 1.00 14.33 C ATOM 148 C ALA A 103 2.090 21.037 -11.577 1.00 51.14 C ATOM 149 O ALA A 103 1.045 20.614 -12.071 1.00 33.33 O ATOM 150 CB ALA A 103 2.240 21.567 -9.137 1.00 71.34 C ATOM 0 H ALA A 103 4.585 21.079 -10.391 1.00 52.13 H new ATOM 0 HA ALA A 103 2.041 19.615 -9.990 1.00 14.33 H new ATOM 0 HB1 ALA A 103 1.169 21.768 -9.138 1.00 71.34 H new ATOM 0 HB2 ALA A 103 2.535 21.177 -8.163 1.00 71.34 H new ATOM 0 HB3 ALA A 103 2.782 22.491 -9.337 1.00 71.34 H new ATOM 156 N ALA A 104 2.863 21.935 -12.178 1.00 41.12 N ATOM 157 CA ALA A 104 2.521 22.485 -13.485 1.00 1.45 C ATOM 158 C ALA A 104 2.960 21.552 -14.607 1.00 23.23 C ATOM 159 O ALA A 104 2.783 21.856 -15.785 1.00 22.31 O ATOM 160 CB ALA A 104 3.152 23.859 -13.660 1.00 32.23 C ATOM 0 H ALA A 104 3.730 22.297 -11.781 1.00 41.12 H new ATOM 0 HA ALA A 104 1.437 22.585 -13.537 1.00 1.45 H new ATOM 0 HB1 ALA A 104 2.889 24.258 -14.640 1.00 32.23 H new ATOM 0 HB2 ALA A 104 2.784 24.530 -12.884 1.00 32.23 H new ATOM 0 HB3 ALA A 104 4.236 23.774 -13.582 1.00 32.23 H new ATOM 166 N ALA A 105 3.536 20.414 -14.231 1.00 61.11 N ATOM 167 CA ALA A 105 4.000 19.435 -15.206 1.00 31.32 C ATOM 168 C ALA A 105 5.337 19.852 -15.809 1.00 70.51 C ATOM 169 O ALA A 105 5.515 19.826 -17.026 1.00 63.33 O ATOM 170 CB ALA A 105 2.961 19.247 -16.301 1.00 60.12 C ATOM 0 H ALA A 105 3.692 20.148 -13.259 1.00 61.11 H new ATOM 0 HA ALA A 105 4.144 18.486 -14.690 1.00 31.32 H new ATOM 0 HB1 ALA A 105 3.321 18.513 -17.022 1.00 60.12 H new ATOM 0 HB2 ALA A 105 2.028 18.896 -15.861 1.00 60.12 H new ATOM 0 HB3 ALA A 105 2.789 20.197 -16.806 1.00 60.12 H new ATOM 176 N ALA A 106 6.274 20.238 -14.949 1.00 61.44 N ATOM 177 CA ALA A 106 7.596 20.660 -15.398 1.00 75.32 C ATOM 178 C ALA A 106 8.693 19.999 -14.570 1.00 22.33 C ATOM 179 O ALA A 106 9.210 20.590 -13.621 1.00 62.24 O ATOM 180 CB ALA A 106 7.719 22.175 -15.327 1.00 74.33 C ATOM 0 H ALA A 106 6.143 20.267 -13.938 1.00 61.44 H new ATOM 0 HA ALA A 106 7.719 20.345 -16.434 1.00 75.32 H new ATOM 0 HB1 ALA A 106 8.711 22.476 -15.665 1.00 74.33 H new ATOM 0 HB2 ALA A 106 6.964 22.632 -15.966 1.00 74.33 H new ATOM 0 HB3 ALA A 106 7.571 22.504 -14.299 1.00 74.33 H new ATOM 186 N CYS A 107 9.044 18.770 -14.935 1.00 0.35 N ATOM 187 CA CYS A 107 10.079 18.028 -14.225 1.00 23.13 C ATOM 188 C CYS A 107 10.311 16.665 -14.871 1.00 11.25 C ATOM 189 O CYS A 107 10.640 15.692 -14.192 1.00 21.52 O ATOM 190 CB CYS A 107 9.692 17.849 -12.756 1.00 52.30 C ATOM 191 SG CYS A 107 10.983 18.363 -11.579 1.00 0.12 S ATOM 0 H CYS A 107 8.627 18.267 -15.718 1.00 0.35 H new ATOM 0 HA CYS A 107 11.005 18.600 -14.282 1.00 23.13 H new ATOM 0 HB2 CYS A 107 8.786 18.422 -12.558 1.00 52.30 H new ATOM 0 HB3 CYS A 107 9.451 16.801 -12.580 1.00 52.30 H new ATOM 196 N CYS A 108 10.137 16.603 -16.187 1.00 15.12 N ATOM 197 CA CYS A 108 10.326 15.361 -16.926 1.00 53.00 C ATOM 198 C CYS A 108 11.740 14.822 -16.731 1.00 61.10 C ATOM 199 O CYS A 108 12.679 15.260 -17.396 1.00 33.20 O ATOM 200 CB CYS A 108 10.053 15.582 -18.415 1.00 53.22 C ATOM 201 SG CYS A 108 10.892 17.040 -19.116 1.00 32.52 S ATOM 0 H CYS A 108 9.865 17.399 -16.764 1.00 15.12 H new ATOM 0 HA CYS A 108 9.620 14.626 -16.540 1.00 53.00 H new ATOM 0 HB2 CYS A 108 10.366 14.696 -18.966 1.00 53.22 H new ATOM 0 HB3 CYS A 108 8.978 15.687 -18.565 1.00 53.22 H new ATOM 206 N ASP A 109 11.883 13.870 -15.816 1.00 32.43 N ATOM 207 CA ASP A 109 13.181 13.270 -15.534 1.00 24.23 C ATOM 208 C ASP A 109 13.037 12.075 -14.596 1.00 52.54 C ATOM 209 O ASP A 109 13.184 12.189 -13.379 1.00 73.23 O ATOM 210 CB ASP A 109 14.123 14.305 -14.918 1.00 44.02 C ATOM 211 CG ASP A 109 15.581 14.015 -15.219 1.00 34.13 C ATOM 212 OD1 ASP A 109 15.890 12.865 -15.594 1.00 63.41 O ATOM 213 OD2 ASP A 109 16.411 14.937 -15.077 1.00 24.22 O ATOM 0 H ASP A 109 11.116 13.497 -15.257 1.00 32.43 H new ATOM 0 HA ASP A 109 13.603 12.921 -16.476 1.00 24.23 H new ATOM 0 HB2 ASP A 109 13.867 15.295 -15.296 1.00 44.02 H new ATOM 0 HB3 ASP A 109 13.976 14.328 -13.838 1.00 44.02 H new ATOM 218 N PRO A 110 12.740 10.902 -15.174 1.00 73.22 N ATOM 219 CA PRO A 110 12.567 9.664 -14.408 1.00 33.23 C ATOM 220 C PRO A 110 13.881 9.155 -13.824 1.00 63.03 C ATOM 221 O PRO A 110 13.899 8.192 -13.057 1.00 43.11 O ATOM 222 CB PRO A 110 12.025 8.677 -15.446 1.00 45.02 C ATOM 223 CG PRO A 110 12.517 9.195 -16.753 1.00 12.21 C ATOM 224 CD PRO A 110 12.550 10.693 -16.620 1.00 11.35 C ATOM 0 HA PRO A 110 11.910 9.804 -13.550 1.00 33.23 H new ATOM 0 HB2 PRO A 110 12.388 7.666 -15.259 1.00 45.02 H new ATOM 0 HB3 PRO A 110 10.936 8.635 -15.421 1.00 45.02 H new ATOM 0 HG2 PRO A 110 13.508 8.802 -16.980 1.00 12.21 H new ATOM 0 HG3 PRO A 110 11.859 8.890 -17.566 1.00 12.21 H new ATOM 0 HD2 PRO A 110 13.363 11.130 -17.200 1.00 11.35 H new ATOM 0 HD3 PRO A 110 11.625 11.149 -16.974 1.00 11.35 H new ATOM 232 N CYS A 111 14.978 9.808 -14.192 1.00 51.42 N ATOM 233 CA CYS A 111 16.298 9.423 -13.705 1.00 73.13 C ATOM 234 C CYS A 111 16.804 10.415 -12.663 1.00 44.35 C ATOM 235 O CYS A 111 17.897 10.256 -12.119 1.00 51.44 O ATOM 236 CB CYS A 111 17.288 9.336 -14.868 1.00 31.53 C ATOM 237 SG CYS A 111 17.503 7.656 -15.537 1.00 72.31 S ATOM 0 H CYS A 111 14.979 10.607 -14.826 1.00 51.42 H new ATOM 0 HA CYS A 111 16.213 8.443 -13.235 1.00 73.13 H new ATOM 0 HB2 CYS A 111 16.950 9.994 -15.669 1.00 31.53 H new ATOM 0 HB3 CYS A 111 18.256 9.710 -14.536 1.00 31.53 H new ATOM 242 N ALA A 112 16.002 11.440 -12.392 1.00 4.40 N ATOM 243 CA ALA A 112 16.369 12.458 -11.415 1.00 34.13 C ATOM 244 C ALA A 112 15.309 12.578 -10.324 1.00 72.20 C ATOM 245 O ALA A 112 14.346 11.812 -10.294 1.00 52.33 O ATOM 246 CB ALA A 112 16.574 13.800 -12.102 1.00 44.03 C ATOM 0 H ALA A 112 15.095 11.587 -12.835 1.00 4.40 H new ATOM 0 HA ALA A 112 17.305 12.155 -10.946 1.00 34.13 H new ATOM 0 HB1 ALA A 112 16.848 14.550 -11.360 1.00 44.03 H new ATOM 0 HB2 ALA A 112 17.371 13.713 -12.841 1.00 44.03 H new ATOM 0 HB3 ALA A 112 15.651 14.100 -12.598 1.00 44.03 H new ATOM 252 N SER A 113 15.495 13.542 -9.429 1.00 13.55 N ATOM 253 CA SER A 113 14.557 13.759 -8.333 1.00 32.31 C ATOM 254 C SER A 113 14.610 15.205 -7.850 1.00 2.11 C ATOM 255 O SER A 113 15.531 15.951 -8.186 1.00 53.14 O ATOM 256 CB SER A 113 14.868 12.811 -7.173 1.00 60.10 C ATOM 257 OG SER A 113 13.735 12.636 -6.339 1.00 54.24 O ATOM 0 H SER A 113 16.286 14.185 -9.441 1.00 13.55 H new ATOM 0 HA SER A 113 13.552 13.554 -8.702 1.00 32.31 H new ATOM 0 HB2 SER A 113 15.188 11.845 -7.564 1.00 60.10 H new ATOM 0 HB3 SER A 113 15.697 13.208 -6.587 1.00 60.10 H new ATOM 0 HG SER A 113 13.959 12.025 -5.607 1.00 54.24 H new ATOM 263 N CYS A 114 13.615 15.596 -7.060 1.00 61.40 N ATOM 264 CA CYS A 114 13.546 16.952 -6.531 1.00 0.14 C ATOM 265 C CYS A 114 14.632 17.183 -5.483 1.00 30.32 C ATOM 266 O CYS A 114 14.547 16.677 -4.364 1.00 61.01 O ATOM 267 CB CYS A 114 12.168 17.213 -5.919 1.00 31.11 C ATOM 268 SG CYS A 114 11.845 18.964 -5.536 1.00 12.53 S ATOM 0 H CYS A 114 12.845 14.992 -6.772 1.00 61.40 H new ATOM 0 HA CYS A 114 13.708 17.646 -7.356 1.00 0.14 H new ATOM 0 HB2 CYS A 114 11.403 16.856 -6.608 1.00 31.11 H new ATOM 0 HB3 CYS A 114 12.072 16.628 -5.004 1.00 31.11 H new ATOM 273 N TYR A 115 15.650 17.951 -5.855 1.00 25.02 N ATOM 274 CA TYR A 115 16.754 18.248 -4.949 1.00 75.02 C ATOM 275 C TYR A 115 16.742 19.718 -4.540 1.00 33.32 C ATOM 276 O TYR A 115 16.344 20.587 -5.315 1.00 71.23 O ATOM 277 CB TYR A 115 18.090 17.901 -5.609 1.00 34.30 C ATOM 278 CG TYR A 115 19.288 18.481 -4.893 1.00 13.34 C ATOM 279 CD1 TYR A 115 19.805 17.872 -3.756 1.00 2.14 C ATOM 280 CD2 TYR A 115 19.902 19.640 -5.352 1.00 71.34 C ATOM 281 CE1 TYR A 115 20.899 18.400 -3.098 1.00 32.12 C ATOM 282 CE2 TYR A 115 20.998 20.174 -4.701 1.00 13.51 C ATOM 283 CZ TYR A 115 21.491 19.551 -3.574 1.00 64.10 C ATOM 284 OH TYR A 115 22.582 20.079 -2.923 1.00 2.43 O ATOM 0 H TYR A 115 15.734 18.379 -6.777 1.00 25.02 H new ATOM 0 HA TYR A 115 16.630 17.639 -4.053 1.00 75.02 H new ATOM 0 HB2 TYR A 115 18.193 16.817 -5.653 1.00 34.30 H new ATOM 0 HB3 TYR A 115 18.082 18.262 -6.637 1.00 34.30 H new ATOM 0 HD1 TYR A 115 19.344 16.971 -3.380 1.00 2.14 H new ATOM 0 HD2 TYR A 115 19.516 20.132 -6.233 1.00 71.34 H new ATOM 0 HE1 TYR A 115 21.288 17.914 -2.216 1.00 32.12 H new ATOM 0 HE2 TYR A 115 21.465 21.074 -5.073 1.00 13.51 H new ATOM 0 HH TYR A 115 22.879 20.889 -3.387 1.00 2.43 H new ATOM 294 N CYS A 116 17.183 19.987 -3.315 1.00 54.35 N ATOM 295 CA CYS A 116 17.224 21.350 -2.800 1.00 41.05 C ATOM 296 C CYS A 116 18.627 21.707 -2.319 1.00 23.00 C ATOM 297 O CYS A 116 19.428 20.827 -2.002 1.00 4.20 O ATOM 298 CB CYS A 116 16.223 21.516 -1.656 1.00 51.13 C ATOM 299 SG CYS A 116 14.496 21.173 -2.124 1.00 11.51 S ATOM 0 H CYS A 116 17.517 19.279 -2.661 1.00 54.35 H new ATOM 0 HA CYS A 116 16.953 22.026 -3.611 1.00 41.05 H new ATOM 0 HB2 CYS A 116 16.506 20.851 -0.840 1.00 51.13 H new ATOM 0 HB3 CYS A 116 16.289 22.535 -1.274 1.00 51.13 H new ATOM 304 N ARG A 117 18.918 23.003 -2.266 1.00 31.44 N ATOM 305 CA ARG A 117 20.224 23.475 -1.823 1.00 41.42 C ATOM 306 C ARG A 117 20.094 24.343 -0.575 1.00 51.21 C ATOM 307 O ARG A 117 19.024 24.423 0.030 1.00 71.21 O ATOM 308 CB ARG A 117 20.908 24.268 -2.940 1.00 11.23 C ATOM 309 CG ARG A 117 19.936 25.014 -3.840 1.00 40.32 C ATOM 310 CD ARG A 117 19.360 26.238 -3.144 1.00 72.45 C ATOM 311 NE ARG A 117 19.836 27.482 -3.742 1.00 42.41 N ATOM 312 CZ ARG A 117 19.507 27.882 -4.966 1.00 10.42 C ATOM 313 NH1 ARG A 117 18.704 27.141 -5.716 1.00 65.53 N ATOM 314 NH2 ARG A 117 19.981 29.028 -5.439 1.00 62.53 N ATOM 0 H ARG A 117 18.267 23.744 -2.524 1.00 31.44 H new ATOM 0 HA ARG A 117 20.833 22.605 -1.577 1.00 41.42 H new ATOM 0 HB2 ARG A 117 21.600 24.983 -2.495 1.00 11.23 H new ATOM 0 HB3 ARG A 117 21.502 23.585 -3.548 1.00 11.23 H new ATOM 0 HG2 ARG A 117 20.446 25.320 -4.754 1.00 40.32 H new ATOM 0 HG3 ARG A 117 19.126 24.347 -4.135 1.00 40.32 H new ATOM 0 HD2 ARG A 117 18.272 26.205 -3.194 1.00 72.45 H new ATOM 0 HD3 ARG A 117 19.631 26.216 -2.089 1.00 72.45 H new ATOM 0 HE ARG A 117 20.455 28.076 -3.190 1.00 42.41 H new ATOM 0 HH11 ARG A 117 18.337 26.261 -5.354 1.00 65.53 H new ATOM 0 HH12 ARG A 117 18.453 27.451 -6.655 1.00 65.53 H new ATOM 0 HH21 ARG A 117 20.598 29.601 -4.863 1.00 62.53 H new ATOM 0 HH22 ARG A 117 19.729 29.335 -6.378 1.00 62.53 H new ATOM 328 N PHE A 118 21.189 24.992 -0.195 1.00 41.22 N ATOM 329 CA PHE A 118 21.198 25.853 0.982 1.00 32.05 C ATOM 330 C PHE A 118 19.918 26.681 1.061 1.00 71.52 C ATOM 331 O PHE A 118 19.192 26.628 2.054 1.00 42.23 O ATOM 332 CB PHE A 118 22.417 26.779 0.954 1.00 15.41 C ATOM 333 CG PHE A 118 23.719 26.063 1.168 1.00 62.42 C ATOM 334 CD1 PHE A 118 24.111 25.675 2.438 1.00 75.41 C ATOM 335 CD2 PHE A 118 24.551 25.777 0.097 1.00 40.04 C ATOM 336 CE1 PHE A 118 25.310 25.015 2.637 1.00 53.40 C ATOM 337 CE2 PHE A 118 25.750 25.118 0.290 1.00 64.03 C ATOM 338 CZ PHE A 118 26.130 24.736 1.562 1.00 13.34 C ATOM 0 H PHE A 118 22.082 24.938 -0.685 1.00 41.22 H new ATOM 0 HA PHE A 118 21.253 25.217 1.866 1.00 32.05 H new ATOM 0 HB2 PHE A 118 22.449 27.295 -0.005 1.00 15.41 H new ATOM 0 HB3 PHE A 118 22.301 27.543 1.723 1.00 15.41 H new ATOM 0 HD1 PHE A 118 23.473 25.890 3.283 1.00 75.41 H new ATOM 0 HD2 PHE A 118 24.259 26.073 -0.900 1.00 40.04 H new ATOM 0 HE1 PHE A 118 25.605 24.718 3.633 1.00 53.40 H new ATOM 0 HE2 PHE A 118 26.390 24.902 -0.553 1.00 64.03 H new ATOM 0 HZ PHE A 118 27.066 24.220 1.715 1.00 13.34 H new ATOM 348 N PHE A 119 19.649 27.443 0.007 1.00 52.41 N ATOM 349 CA PHE A 119 18.458 28.284 -0.043 1.00 72.13 C ATOM 350 C PHE A 119 17.214 27.488 0.340 1.00 33.23 C ATOM 351 O PHE A 119 16.374 27.958 1.107 1.00 12.13 O ATOM 352 CB PHE A 119 18.285 28.877 -1.443 1.00 1.20 C ATOM 353 CG PHE A 119 17.626 30.227 -1.445 1.00 13.14 C ATOM 354 CD1 PHE A 119 18.146 31.268 -0.693 1.00 41.32 C ATOM 355 CD2 PHE A 119 16.485 30.454 -2.199 1.00 22.23 C ATOM 356 CE1 PHE A 119 17.540 32.511 -0.693 1.00 33.53 C ATOM 357 CE2 PHE A 119 15.875 31.694 -2.202 1.00 45.44 C ATOM 358 CZ PHE A 119 16.404 32.724 -1.449 1.00 60.13 C ATOM 0 H PHE A 119 20.239 27.496 -0.824 1.00 52.41 H new ATOM 0 HA PHE A 119 18.586 29.094 0.675 1.00 72.13 H new ATOM 0 HB2 PHE A 119 19.263 28.958 -1.918 1.00 1.20 H new ATOM 0 HB3 PHE A 119 17.692 28.191 -2.049 1.00 1.20 H new ATOM 0 HD1 PHE A 119 19.034 31.107 -0.100 1.00 41.32 H new ATOM 0 HD2 PHE A 119 16.068 29.653 -2.791 1.00 22.23 H new ATOM 0 HE1 PHE A 119 17.955 33.314 -0.102 1.00 33.53 H new ATOM 0 HE2 PHE A 119 14.986 31.858 -2.792 1.00 45.44 H new ATOM 0 HZ PHE A 119 15.930 33.694 -1.451 1.00 60.13 H new ATOM 368 N ARG A 120 17.102 26.278 -0.200 1.00 63.22 N ATOM 369 CA ARG A 120 15.961 25.416 0.083 1.00 44.01 C ATOM 370 C ARG A 120 14.664 26.055 -0.404 1.00 11.53 C ATOM 371 O ARG A 120 13.578 25.715 0.066 1.00 62.33 O ATOM 372 CB ARG A 120 15.870 25.131 1.583 1.00 45.43 C ATOM 373 CG ARG A 120 16.453 23.786 1.984 1.00 54.30 C ATOM 374 CD ARG A 120 15.592 22.636 1.486 1.00 62.42 C ATOM 375 NE ARG A 120 16.289 21.355 1.571 1.00 34.23 N ATOM 376 CZ ARG A 120 15.672 20.179 1.525 1.00 52.30 C ATOM 377 NH1 ARG A 120 14.354 20.122 1.396 1.00 12.42 N ATOM 378 NH2 ARG A 120 16.375 19.056 1.609 1.00 52.43 N ATOM 0 H ARG A 120 17.788 25.873 -0.836 1.00 63.22 H new ATOM 0 HA ARG A 120 16.106 24.476 -0.450 1.00 44.01 H new ATOM 0 HB2 ARG A 120 16.391 25.920 2.126 1.00 45.43 H new ATOM 0 HB3 ARG A 120 14.825 25.170 1.889 1.00 45.43 H new ATOM 0 HG2 ARG A 120 17.461 23.690 1.579 1.00 54.30 H new ATOM 0 HG3 ARG A 120 16.539 23.734 3.069 1.00 54.30 H new ATOM 0 HD2 ARG A 120 14.675 22.589 2.073 1.00 62.42 H new ATOM 0 HD3 ARG A 120 15.300 22.822 0.452 1.00 62.42 H new ATOM 0 HE ARG A 120 17.304 21.364 1.671 1.00 34.23 H new ATOM 0 HH11 ARG A 120 13.810 20.983 1.332 1.00 12.42 H new ATOM 0 HH12 ARG A 120 13.884 19.218 1.361 1.00 12.42 H new ATOM 0 HH21 ARG A 120 17.389 19.096 1.709 1.00 52.43 H new ATOM 0 HH22 ARG A 120 15.901 18.154 1.574 1.00 52.43 H new ATOM 392 N SER A 121 14.785 26.984 -1.348 1.00 34.42 N ATOM 393 CA SER A 121 13.622 27.673 -1.896 1.00 4.12 C ATOM 394 C SER A 121 13.575 27.536 -3.414 1.00 31.42 C ATOM 395 O SER A 121 12.500 27.459 -4.009 1.00 22.23 O ATOM 396 CB SER A 121 13.651 29.152 -1.506 1.00 74.14 C ATOM 397 OG SER A 121 12.385 29.578 -1.030 1.00 45.11 O ATOM 0 H SER A 121 15.676 27.276 -1.749 1.00 34.42 H new ATOM 0 HA SER A 121 12.726 27.212 -1.480 1.00 4.12 H new ATOM 0 HB2 SER A 121 14.406 29.314 -0.737 1.00 74.14 H new ATOM 0 HB3 SER A 121 13.940 29.753 -2.368 1.00 74.14 H new ATOM 0 HG SER A 121 12.429 30.526 -0.786 1.00 45.11 H new ATOM 403 N ALA A 122 14.749 27.507 -4.037 1.00 5.33 N ATOM 404 CA ALA A 122 14.843 27.377 -5.485 1.00 43.12 C ATOM 405 C ALA A 122 15.228 25.958 -5.885 1.00 34.30 C ATOM 406 O ALA A 122 16.142 25.753 -6.684 1.00 21.54 O ATOM 407 CB ALA A 122 15.850 28.374 -6.040 1.00 40.53 C ATOM 0 H ALA A 122 15.648 27.572 -3.560 1.00 5.33 H new ATOM 0 HA ALA A 122 13.862 27.593 -5.908 1.00 43.12 H new ATOM 0 HB1 ALA A 122 15.910 28.266 -7.123 1.00 40.53 H new ATOM 0 HB2 ALA A 122 15.533 29.387 -5.794 1.00 40.53 H new ATOM 0 HB3 ALA A 122 16.830 28.184 -5.601 1.00 40.53 H new ATOM 413 N CYS A 123 14.524 24.979 -5.326 1.00 53.02 N ATOM 414 CA CYS A 123 14.791 23.577 -5.624 1.00 51.12 C ATOM 415 C CYS A 123 14.506 23.268 -7.091 1.00 45.32 C ATOM 416 O CYS A 123 13.770 23.995 -7.757 1.00 54.22 O ATOM 417 CB CYS A 123 13.941 22.673 -4.728 1.00 4.24 C ATOM 418 SG CYS A 123 14.050 23.072 -2.954 1.00 11.01 S ATOM 0 H CYS A 123 13.764 25.131 -4.664 1.00 53.02 H new ATOM 0 HA CYS A 123 15.846 23.385 -5.428 1.00 51.12 H new ATOM 0 HB2 CYS A 123 12.900 22.743 -5.042 1.00 4.24 H new ATOM 0 HB3 CYS A 123 14.250 21.638 -4.877 1.00 4.24 H new ATOM 423 N TYR A 124 15.097 22.187 -7.587 1.00 61.32 N ATOM 424 CA TYR A 124 14.910 21.783 -8.975 1.00 75.35 C ATOM 425 C TYR A 124 15.170 20.290 -9.149 1.00 22.24 C ATOM 426 O TYR A 124 15.739 19.641 -8.270 1.00 22.34 O ATOM 427 CB TYR A 124 15.838 22.583 -9.891 1.00 32.02 C ATOM 428 CG TYR A 124 17.187 22.880 -9.276 1.00 35.32 C ATOM 429 CD1 TYR A 124 17.977 21.859 -8.763 1.00 21.42 C ATOM 430 CD2 TYR A 124 17.671 24.180 -9.207 1.00 1.45 C ATOM 431 CE1 TYR A 124 19.210 22.124 -8.199 1.00 43.24 C ATOM 432 CE2 TYR A 124 18.903 24.455 -8.646 1.00 40.11 C ATOM 433 CZ TYR A 124 19.669 23.424 -8.144 1.00 54.24 C ATOM 434 OH TYR A 124 20.897 23.694 -7.583 1.00 53.34 O ATOM 0 H TYR A 124 15.710 21.575 -7.048 1.00 61.32 H new ATOM 0 HA TYR A 124 13.875 21.987 -9.249 1.00 75.35 H new ATOM 0 HB2 TYR A 124 15.985 22.030 -10.818 1.00 32.02 H new ATOM 0 HB3 TYR A 124 15.353 23.523 -10.154 1.00 32.02 H new ATOM 0 HD1 TYR A 124 17.621 20.840 -8.806 1.00 21.42 H new ATOM 0 HD2 TYR A 124 17.074 24.990 -9.599 1.00 1.45 H new ATOM 0 HE1 TYR A 124 19.811 21.318 -7.804 1.00 43.24 H new ATOM 0 HE2 TYR A 124 19.264 25.472 -8.601 1.00 40.11 H new ATOM 0 HH TYR A 124 21.071 24.658 -7.624 1.00 53.34 H new ATOM 444 N CYS A 125 14.749 19.750 -10.287 1.00 60.24 N ATOM 445 CA CYS A 125 14.936 18.334 -10.578 1.00 2.31 C ATOM 446 C CYS A 125 16.403 18.025 -10.860 1.00 64.13 C ATOM 447 O CYS A 125 16.882 18.205 -11.980 1.00 42.12 O ATOM 448 CB CYS A 125 14.077 17.920 -11.774 1.00 42.34 C ATOM 449 SG CYS A 125 12.492 17.144 -11.320 1.00 24.22 S ATOM 0 H CYS A 125 14.275 20.272 -11.024 1.00 60.24 H new ATOM 0 HA CYS A 125 14.626 17.765 -9.702 1.00 2.31 H new ATOM 0 HB2 CYS A 125 13.876 18.800 -12.385 1.00 42.34 H new ATOM 0 HB3 CYS A 125 14.645 17.225 -12.392 1.00 42.34 H new ATOM 454 N ARG A 126 17.112 17.559 -9.837 1.00 32.10 N ATOM 455 CA ARG A 126 18.525 17.226 -9.975 1.00 33.14 C ATOM 456 C ARG A 126 18.726 15.714 -10.006 1.00 34.23 C ATOM 457 O ARG A 126 18.138 14.982 -9.210 1.00 4.34 O ATOM 458 CB ARG A 126 19.328 17.835 -8.824 1.00 1.40 C ATOM 459 CG ARG A 126 20.826 17.877 -9.083 1.00 15.41 C ATOM 460 CD ARG A 126 21.215 19.096 -9.903 1.00 63.43 C ATOM 461 NE ARG A 126 21.467 18.756 -11.301 1.00 41.13 N ATOM 462 CZ ARG A 126 22.589 18.190 -11.729 1.00 2.03 C ATOM 463 NH1 ARG A 126 23.558 17.900 -10.872 1.00 20.24 N ATOM 464 NH2 ARG A 126 22.744 17.911 -13.017 1.00 65.24 N ATOM 0 H ARG A 126 16.731 17.403 -8.904 1.00 32.10 H new ATOM 0 HA ARG A 126 18.881 17.642 -10.918 1.00 33.14 H new ATOM 0 HB2 ARG A 126 18.971 18.848 -8.639 1.00 1.40 H new ATOM 0 HB3 ARG A 126 19.140 17.260 -7.917 1.00 1.40 H new ATOM 0 HG2 ARG A 126 21.360 17.890 -8.133 1.00 15.41 H new ATOM 0 HG3 ARG A 126 21.131 16.972 -9.608 1.00 15.41 H new ATOM 0 HD2 ARG A 126 20.419 19.839 -9.848 1.00 63.43 H new ATOM 0 HD3 ARG A 126 22.107 19.552 -9.474 1.00 63.43 H new ATOM 0 HE ARG A 126 20.741 18.965 -11.986 1.00 41.13 H new ATOM 0 HH11 ARG A 126 23.443 18.112 -9.881 1.00 20.24 H new ATOM 0 HH12 ARG A 126 24.419 17.465 -11.204 1.00 20.24 H new ATOM 0 HH21 ARG A 126 22.001 18.131 -13.680 1.00 65.24 H new ATOM 0 HH22 ARG A 126 23.607 17.476 -13.344 1.00 65.24 H new ATOM 478 N VAL A 127 19.560 15.252 -10.932 1.00 3.41 N ATOM 479 CA VAL A 127 19.840 13.828 -11.067 1.00 2.10 C ATOM 480 C VAL A 127 20.755 13.339 -9.950 1.00 72.41 C ATOM 481 O VAL A 127 21.979 13.434 -10.048 1.00 42.43 O ATOM 482 CB VAL A 127 20.492 13.510 -12.426 1.00 4.22 C ATOM 483 CG1 VAL A 127 19.466 13.596 -13.544 1.00 72.20 C ATOM 484 CG2 VAL A 127 21.659 14.451 -12.688 1.00 71.33 C ATOM 0 H VAL A 127 20.054 15.844 -11.600 1.00 3.41 H new ATOM 0 HA VAL A 127 18.883 13.310 -11.002 1.00 2.10 H new ATOM 0 HB VAL A 127 20.876 12.490 -12.396 1.00 4.22 H new ATOM 0 HG11 VAL A 127 19.945 13.368 -14.496 1.00 72.20 H new ATOM 0 HG12 VAL A 127 18.666 12.879 -13.360 1.00 72.20 H new ATOM 0 HG13 VAL A 127 19.050 14.603 -13.579 1.00 72.20 H new ATOM 0 HG21 VAL A 127 22.109 14.213 -13.652 1.00 71.33 H new ATOM 0 HG22 VAL A 127 21.301 15.480 -12.699 1.00 71.33 H new ATOM 0 HG23 VAL A 127 22.404 14.334 -11.901 1.00 71.33 H new ATOM 494 N LEU A 128 20.154 12.815 -8.887 1.00 73.42 N ATOM 495 CA LEU A 128 20.914 12.309 -7.750 1.00 4.31 C ATOM 496 C LEU A 128 21.197 10.819 -7.902 1.00 33.41 C ATOM 497 O LEU A 128 21.408 10.113 -6.916 1.00 15.11 O ATOM 498 CB LEU A 128 20.153 12.566 -6.448 1.00 2.21 C ATOM 499 CG LEU A 128 20.292 13.969 -5.854 1.00 70.21 C ATOM 500 CD1 LEU A 128 21.743 14.258 -5.502 1.00 72.00 C ATOM 501 CD2 LEU A 128 19.758 15.013 -6.823 1.00 51.10 C ATOM 0 H LEU A 128 19.142 12.730 -8.789 1.00 73.42 H new ATOM 0 HA LEU A 128 21.867 12.838 -7.718 1.00 4.31 H new ATOM 0 HB2 LEU A 128 19.095 12.371 -6.625 1.00 2.21 H new ATOM 0 HB3 LEU A 128 20.490 11.844 -5.705 1.00 2.21 H new ATOM 0 HG LEU A 128 19.702 14.016 -4.939 1.00 70.21 H new ATOM 0 HD11 LEU A 128 21.823 15.260 -5.081 1.00 72.00 H new ATOM 0 HD12 LEU A 128 22.092 13.529 -4.771 1.00 72.00 H new ATOM 0 HD13 LEU A 128 22.356 14.193 -6.401 1.00 72.00 H new ATOM 0 HD21 LEU A 128 19.865 16.005 -6.384 1.00 51.10 H new ATOM 0 HD22 LEU A 128 20.321 14.966 -7.755 1.00 51.10 H new ATOM 0 HD23 LEU A 128 18.705 14.817 -7.025 1.00 51.10 H new ATOM 513 N SER A 129 21.200 10.346 -9.145 1.00 0.22 N ATOM 514 CA SER A 129 21.455 8.938 -9.426 1.00 51.24 C ATOM 515 C SER A 129 22.913 8.717 -9.815 1.00 10.12 C ATOM 516 O SER A 129 23.558 7.780 -9.343 1.00 4.24 O ATOM 517 CB SER A 129 20.537 8.447 -10.547 1.00 32.43 C ATOM 518 OG SER A 129 19.207 8.289 -10.085 1.00 15.33 O ATOM 0 H SER A 129 21.029 10.917 -9.973 1.00 0.22 H new ATOM 0 HA SER A 129 21.249 8.369 -8.520 1.00 51.24 H new ATOM 0 HB2 SER A 129 20.556 9.157 -11.374 1.00 32.43 H new ATOM 0 HB3 SER A 129 20.906 7.497 -10.934 1.00 32.43 H new ATOM 0 HG SER A 129 18.607 8.852 -10.617 1.00 15.33 H new ATOM 524 N LEU A 130 23.428 9.586 -10.678 1.00 41.41 N ATOM 525 CA LEU A 130 24.811 9.488 -11.130 1.00 61.05 C ATOM 526 C LEU A 130 25.042 8.188 -11.894 1.00 20.31 C ATOM 527 O LEU A 130 26.168 7.701 -11.984 1.00 25.42 O ATOM 528 CB LEU A 130 25.765 9.569 -9.938 1.00 45.04 C ATOM 529 CG LEU A 130 25.504 10.701 -8.946 1.00 12.34 C ATOM 530 CD1 LEU A 130 26.266 10.463 -7.650 1.00 55.25 C ATOM 531 CD2 LEU A 130 25.888 12.043 -9.552 1.00 41.01 C ATOM 0 H LEU A 130 22.908 10.367 -11.079 1.00 41.41 H new ATOM 0 HA LEU A 130 25.008 10.323 -11.802 1.00 61.05 H new ATOM 0 HB2 LEU A 130 25.722 8.623 -9.399 1.00 45.04 H new ATOM 0 HB3 LEU A 130 26.781 9.673 -10.318 1.00 45.04 H new ATOM 0 HG LEU A 130 24.438 10.719 -8.720 1.00 12.34 H new ATOM 0 HD11 LEU A 130 26.068 11.280 -6.956 1.00 55.25 H new ATOM 0 HD12 LEU A 130 25.942 9.522 -7.205 1.00 55.25 H new ATOM 0 HD13 LEU A 130 27.335 10.417 -7.860 1.00 55.25 H new ATOM 0 HD21 LEU A 130 25.695 12.837 -8.830 1.00 41.01 H new ATOM 0 HD22 LEU A 130 26.947 12.036 -9.809 1.00 41.01 H new ATOM 0 HD23 LEU A 130 25.297 12.219 -10.451 1.00 41.01 H new ATOM 543 N ASN A 131 23.968 7.631 -12.445 1.00 40.44 N ATOM 544 CA ASN A 131 24.054 6.388 -13.203 1.00 40.42 C ATOM 545 C ASN A 131 23.525 6.578 -14.621 1.00 43.35 C ATOM 546 O ASN A 131 24.024 5.969 -15.568 1.00 53.45 O ATOM 547 CB ASN A 131 23.268 5.281 -12.497 1.00 42.02 C ATOM 548 CG ASN A 131 24.100 4.553 -11.460 1.00 31.12 C ATOM 549 OD1 ASN A 131 25.328 4.630 -11.467 1.00 64.53 O ATOM 550 ND2 ASN A 131 23.432 3.841 -10.560 1.00 52.30 N ATOM 0 H ASN A 131 23.028 8.021 -12.381 1.00 40.44 H new ATOM 0 HA ASN A 131 25.103 6.099 -13.262 1.00 40.42 H new ATOM 0 HB2 ASN A 131 22.390 5.712 -12.017 1.00 42.02 H new ATOM 0 HB3 ASN A 131 22.908 4.566 -13.237 1.00 42.02 H new ATOM 0 HD21 ASN A 131 23.938 3.330 -9.837 1.00 52.30 H new ATOM 0 HD22 ASN A 131 22.413 3.805 -10.592 1.00 52.30 H new ATOM 557 N CYS A 132 22.513 7.428 -14.761 1.00 70.22 N ATOM 558 CA CYS A 132 21.916 7.699 -16.062 1.00 44.34 C ATOM 559 C CYS A 132 22.773 8.678 -16.860 1.00 74.43 C ATOM 560 O CYS A 132 22.827 8.611 -18.089 1.00 21.11 O ATOM 561 CB CYS A 132 20.504 8.262 -15.892 1.00 34.03 C ATOM 562 SG CYS A 132 19.366 7.158 -14.995 1.00 30.40 S ATOM 0 H CYS A 132 22.089 7.941 -13.988 1.00 70.22 H new ATOM 0 HA CYS A 132 21.861 6.759 -16.611 1.00 44.34 H new ATOM 0 HB2 CYS A 132 20.565 9.212 -15.361 1.00 34.03 H new ATOM 0 HB3 CYS A 132 20.088 8.473 -16.877 1.00 34.03 H new TER 567 CYS A 132