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=0.000992! USER MOD Single : A 98 ASN : amide:sc= -0.0133 K(o=-0.013,f=-0.57) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ -124:sc= -0.137 (180deg=-1.25) 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 180:sc= 0 USER MOD Single : A 131 ASN : amide:sc= -0.127 K(o=-0.13,f=-1.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 93 8.723 20.270 -20.619 1.00 3.10 N ATOM 2 CA CYS A 93 8.778 20.460 -19.174 1.00 72.22 C ATOM 3 C CYS A 93 10.211 20.702 -18.710 1.00 40.25 C ATOM 4 O CYS A 93 11.115 20.885 -19.525 1.00 45.12 O ATOM 5 CB CYS A 93 8.197 19.239 -18.456 1.00 62.02 C ATOM 6 SG CYS A 93 7.520 17.971 -19.575 1.00 63.43 S ATOM 0 HA CYS A 93 8.182 21.338 -18.926 1.00 72.22 H new ATOM 0 HB2 CYS A 93 8.976 18.788 -17.841 1.00 62.02 H new ATOM 0 HB3 CYS A 93 7.409 19.570 -17.780 1.00 62.02 H new ATOM 11 N VAL A 94 10.410 20.702 -17.396 1.00 44.44 N ATOM 12 CA VAL A 94 11.733 20.920 -16.824 1.00 2.10 C ATOM 13 C VAL A 94 12.695 19.807 -17.223 1.00 22.13 C ATOM 14 O VAL A 94 12.382 18.624 -17.090 1.00 52.23 O ATOM 15 CB VAL A 94 11.673 21.006 -15.287 1.00 10.10 C ATOM 16 CG1 VAL A 94 13.047 20.762 -14.684 1.00 3.32 C ATOM 17 CG2 VAL A 94 11.121 22.354 -14.850 1.00 62.04 C ATOM 0 H VAL A 94 9.672 20.553 -16.708 1.00 44.44 H new ATOM 0 HA VAL A 94 12.096 21.869 -17.220 1.00 2.10 H new ATOM 0 HB VAL A 94 11.001 20.229 -14.923 1.00 10.10 H new ATOM 0 HG11 VAL A 94 12.984 20.827 -13.598 1.00 3.32 H new ATOM 0 HG12 VAL A 94 13.398 19.770 -14.969 1.00 3.32 H new ATOM 0 HG13 VAL A 94 13.745 21.514 -15.053 1.00 3.32 H new ATOM 0 HG21 VAL A 94 11.086 22.397 -13.761 1.00 62.04 H new ATOM 0 HG22 VAL A 94 11.765 23.150 -15.224 1.00 62.04 H new ATOM 0 HG23 VAL A 94 10.116 22.483 -15.251 1.00 62.04 H new ATOM 27 N ALA A 95 13.869 20.194 -17.712 1.00 14.10 N ATOM 28 CA ALA A 95 14.879 19.229 -18.127 1.00 72.13 C ATOM 29 C ALA A 95 15.678 18.720 -16.932 1.00 31.02 C ATOM 30 O ALA A 95 15.622 17.538 -16.592 1.00 33.14 O ATOM 31 CB ALA A 95 15.808 19.849 -19.161 1.00 71.32 C ATOM 0 H ALA A 95 14.144 21.169 -17.830 1.00 14.10 H new ATOM 0 HA ALA A 95 14.368 18.378 -18.577 1.00 72.13 H new ATOM 0 HB1 ALA A 95 16.557 19.117 -19.462 1.00 71.32 H new ATOM 0 HB2 ALA A 95 15.230 20.156 -20.032 1.00 71.32 H new ATOM 0 HB3 ALA A 95 16.303 20.719 -18.730 1.00 71.32 H new ATOM 37 N THR A 96 16.423 19.621 -16.298 1.00 63.33 N ATOM 38 CA THR A 96 17.235 19.263 -15.142 1.00 3.11 C ATOM 39 C THR A 96 17.659 20.503 -14.363 1.00 15.12 C ATOM 40 O THR A 96 17.854 21.573 -14.940 1.00 2.23 O ATOM 41 CB THR A 96 18.493 18.479 -15.560 1.00 71.54 C ATOM 42 OG1 THR A 96 18.164 17.536 -16.587 1.00 51.32 O ATOM 43 CG2 THR A 96 19.097 17.750 -14.370 1.00 20.32 C ATOM 0 H THR A 96 16.480 20.603 -16.566 1.00 63.33 H new ATOM 0 HA THR A 96 16.617 18.630 -14.505 1.00 3.11 H new ATOM 0 HB THR A 96 19.227 19.189 -15.941 1.00 71.54 H new ATOM 0 HG1 THR A 96 17.267 17.176 -16.425 1.00 51.32 H new ATOM 0 HG21 THR A 96 19.984 17.204 -14.690 1.00 20.32 H new ATOM 0 HG22 THR A 96 19.373 18.473 -13.602 1.00 20.32 H new ATOM 0 HG23 THR A 96 18.367 17.050 -13.963 1.00 20.32 H new ATOM 51 N ARG A 97 17.800 20.351 -13.051 1.00 11.33 N ATOM 52 CA ARG A 97 18.200 21.460 -12.192 1.00 53.03 C ATOM 53 C ARG A 97 17.530 22.758 -12.634 1.00 4.21 C ATOM 54 O ARG A 97 18.151 23.821 -12.630 1.00 1.05 O ATOM 55 CB ARG A 97 19.720 21.625 -12.213 1.00 1.43 C ATOM 56 CG ARG A 97 20.260 22.131 -13.540 1.00 62.04 C ATOM 57 CD ARG A 97 20.686 20.982 -14.442 1.00 15.20 C ATOM 58 NE ARG A 97 22.128 20.762 -14.405 1.00 23.42 N ATOM 59 CZ ARG A 97 22.797 20.111 -15.350 1.00 13.02 C ATOM 60 NH1 ARG A 97 22.156 19.619 -16.402 1.00 11.53 N ATOM 61 NH2 ARG A 97 24.110 19.951 -15.245 1.00 31.45 N ATOM 0 H ARG A 97 17.643 19.471 -12.559 1.00 11.33 H new ATOM 0 HA ARG A 97 17.880 21.234 -11.175 1.00 53.03 H new ATOM 0 HB2 ARG A 97 20.013 22.317 -11.424 1.00 1.43 H new ATOM 0 HB3 ARG A 97 20.184 20.666 -11.984 1.00 1.43 H new ATOM 0 HG2 ARG A 97 19.497 22.726 -14.042 1.00 62.04 H new ATOM 0 HG3 ARG A 97 21.110 22.789 -13.361 1.00 62.04 H new ATOM 0 HD2 ARG A 97 20.173 20.071 -14.135 1.00 15.20 H new ATOM 0 HD3 ARG A 97 20.378 21.192 -15.466 1.00 15.20 H new ATOM 0 HE ARG A 97 22.651 21.128 -13.610 1.00 23.42 H new ATOM 0 HH11 ARG A 97 21.147 19.740 -16.487 1.00 11.53 H new ATOM 0 HH12 ARG A 97 22.672 19.120 -17.126 1.00 11.53 H new ATOM 0 HH21 ARG A 97 24.607 20.328 -14.438 1.00 31.45 H new ATOM 0 HH22 ARG A 97 24.623 19.451 -15.971 1.00 31.45 H new ATOM 75 N ASN A 98 16.260 22.664 -13.014 1.00 63.10 N ATOM 76 CA ASN A 98 15.507 23.830 -13.459 1.00 71.03 C ATOM 77 C ASN A 98 14.572 24.326 -12.361 1.00 33.01 C ATOM 78 O ASN A 98 14.732 25.434 -11.848 1.00 31.11 O ATOM 79 CB ASN A 98 14.702 23.494 -14.717 1.00 51.21 C ATOM 80 CG ASN A 98 14.643 24.654 -15.693 1.00 34.54 C ATOM 81 OD1 ASN A 98 14.749 25.816 -15.300 1.00 22.20 O ATOM 82 ND2 ASN A 98 14.472 24.342 -16.972 1.00 21.43 N ATOM 0 H ASN A 98 15.731 21.792 -13.023 1.00 63.10 H new ATOM 0 HA ASN A 98 16.218 24.623 -13.691 1.00 71.03 H new ATOM 0 HB2 ASN A 98 15.148 22.630 -15.210 1.00 51.21 H new ATOM 0 HB3 ASN A 98 13.689 23.211 -14.432 1.00 51.21 H new ATOM 0 HD21 ASN A 98 14.424 25.080 -17.675 1.00 21.43 H new ATOM 0 HD22 ASN A 98 14.389 23.365 -17.252 1.00 21.43 H new ATOM 89 N SER A 99 13.596 23.498 -12.004 1.00 33.41 N ATOM 90 CA SER A 99 12.633 23.853 -10.968 1.00 35.53 C ATOM 91 C SER A 99 11.946 22.607 -10.415 1.00 32.22 C ATOM 92 O SER A 99 11.709 21.641 -11.140 1.00 52.34 O ATOM 93 CB SER A 99 11.587 24.820 -11.524 1.00 52.34 C ATOM 94 OG SER A 99 10.511 24.986 -10.617 1.00 70.43 O ATOM 0 H SER A 99 13.451 22.577 -12.417 1.00 33.41 H new ATOM 0 HA SER A 99 13.173 24.340 -10.156 1.00 35.53 H new ATOM 0 HB2 SER A 99 12.050 25.786 -11.724 1.00 52.34 H new ATOM 0 HB3 SER A 99 11.210 24.445 -12.475 1.00 52.34 H new ATOM 0 HG SER A 99 9.857 25.610 -10.996 1.00 70.43 H new ATOM 100 N CYS A 100 11.630 22.637 -9.125 1.00 4.34 N ATOM 101 CA CYS A 100 10.973 21.513 -8.472 1.00 33.32 C ATOM 102 C CYS A 100 9.466 21.742 -8.380 1.00 61.22 C ATOM 103 O CYS A 100 8.931 22.672 -8.983 1.00 24.41 O ATOM 104 CB CYS A 100 11.552 21.298 -7.072 1.00 32.52 C ATOM 105 SG CYS A 100 12.673 19.866 -6.943 1.00 0.41 S ATOM 0 H CYS A 100 11.819 23.429 -8.511 1.00 4.34 H new ATOM 0 HA CYS A 100 11.153 20.622 -9.073 1.00 33.32 H new ATOM 0 HB2 CYS A 100 12.091 22.196 -6.771 1.00 32.52 H new ATOM 0 HB3 CYS A 100 10.731 21.168 -6.367 1.00 32.52 H new ATOM 110 N LYS A 101 8.789 20.886 -7.622 1.00 52.41 N ATOM 111 CA LYS A 101 7.345 20.995 -7.448 1.00 62.35 C ATOM 112 C LYS A 101 6.624 20.849 -8.785 1.00 72.15 C ATOM 113 O LYS A 101 6.075 21.808 -9.330 1.00 24.50 O ATOM 114 CB LYS A 101 6.986 22.338 -6.808 1.00 65.23 C ATOM 115 CG LYS A 101 7.198 22.371 -5.305 1.00 33.55 C ATOM 116 CD LYS A 101 8.632 22.727 -4.951 1.00 21.54 C ATOM 117 CE LYS A 101 9.158 21.862 -3.814 1.00 54.42 C ATOM 118 NZ LYS A 101 9.172 20.418 -4.177 1.00 53.13 N ATOM 0 H LYS A 101 9.217 20.109 -7.118 1.00 52.41 H new ATOM 0 HA LYS A 101 7.022 20.188 -6.790 1.00 62.35 H new ATOM 0 HB2 LYS A 101 7.586 23.123 -7.269 1.00 65.23 H new ATOM 0 HB3 LYS A 101 5.942 22.567 -7.024 1.00 65.23 H new ATOM 0 HG2 LYS A 101 6.521 23.098 -4.857 1.00 33.55 H new ATOM 0 HG3 LYS A 101 6.948 21.399 -4.880 1.00 33.55 H new ATOM 0 HD2 LYS A 101 9.266 22.601 -5.828 1.00 21.54 H new ATOM 0 HD3 LYS A 101 8.687 23.778 -4.666 1.00 21.54 H new ATOM 0 HE2 LYS A 101 10.167 22.180 -3.552 1.00 54.42 H new ATOM 0 HE3 LYS A 101 8.538 22.008 -2.930 1.00 54.42 H new ATOM 0 HZ1 LYS A 101 8.622 19.879 -3.478 1.00 53.13 H new ATOM 0 HZ2 LYS A 101 8.751 20.293 -5.120 1.00 53.13 H new ATOM 0 HZ3 LYS A 101 10.153 20.072 -4.187 1.00 53.13 H new ATOM 132 N PRO A 102 6.623 19.622 -9.326 1.00 74.23 N ATOM 133 CA PRO A 102 5.971 19.321 -10.605 1.00 54.32 C ATOM 134 C PRO A 102 4.450 19.389 -10.511 1.00 20.31 C ATOM 135 O PRO A 102 3.777 18.361 -10.440 1.00 63.20 O ATOM 136 CB PRO A 102 6.426 17.891 -10.908 1.00 13.45 C ATOM 137 CG PRO A 102 6.734 17.302 -9.575 1.00 14.14 C ATOM 138 CD PRO A 102 7.256 18.433 -8.732 1.00 41.12 C ATOM 0 HA PRO A 102 6.240 20.040 -11.379 1.00 54.32 H new ATOM 0 HB2 PRO A 102 5.646 17.327 -11.419 1.00 13.45 H new ATOM 0 HB3 PRO A 102 7.302 17.883 -11.556 1.00 13.45 H new ATOM 0 HG2 PRO A 102 5.843 16.861 -9.128 1.00 14.14 H new ATOM 0 HG3 PRO A 102 7.474 16.506 -9.662 1.00 14.14 H new ATOM 0 HD2 PRO A 102 6.981 18.313 -7.684 1.00 41.12 H new ATOM 0 HD3 PRO A 102 8.344 18.495 -8.771 1.00 41.12 H new ATOM 146 N ALA A 103 3.915 20.605 -10.510 1.00 51.41 N ATOM 147 CA ALA A 103 2.474 20.806 -10.427 1.00 34.12 C ATOM 148 C ALA A 103 1.746 20.007 -11.503 1.00 55.43 C ATOM 149 O ALA A 103 1.129 18.982 -11.218 1.00 13.42 O ATOM 150 CB ALA A 103 2.139 22.285 -10.546 1.00 53.03 C ATOM 0 H ALA A 103 4.458 21.466 -10.566 1.00 51.41 H new ATOM 0 HA ALA A 103 2.137 20.447 -9.455 1.00 34.12 H new ATOM 0 HB1 ALA A 103 1.059 22.420 -10.482 1.00 53.03 H new ATOM 0 HB2 ALA A 103 2.622 22.834 -9.737 1.00 53.03 H new ATOM 0 HB3 ALA A 103 2.496 22.663 -11.504 1.00 53.03 H new ATOM 156 N ALA A 104 1.821 20.485 -12.741 1.00 4.45 N ATOM 157 CA ALA A 104 1.170 19.816 -13.859 1.00 64.41 C ATOM 158 C ALA A 104 2.191 19.364 -14.899 1.00 4.44 C ATOM 159 O ALA A 104 2.006 18.345 -15.563 1.00 0.01 O ATOM 160 CB ALA A 104 0.138 20.733 -14.495 1.00 53.54 C ATOM 0 H ALA A 104 2.327 21.334 -12.994 1.00 4.45 H new ATOM 0 HA ALA A 104 0.665 18.930 -13.475 1.00 64.41 H new ATOM 0 HB1 ALA A 104 -0.340 20.219 -15.329 1.00 53.54 H new ATOM 0 HB2 ALA A 104 -0.615 21.002 -13.754 1.00 53.54 H new ATOM 0 HB3 ALA A 104 0.628 21.636 -14.858 1.00 53.54 H new ATOM 166 N ALA A 105 3.268 20.131 -15.035 1.00 45.10 N ATOM 167 CA ALA A 105 4.319 19.811 -15.993 1.00 70.50 C ATOM 168 C ALA A 105 5.543 20.695 -15.782 1.00 61.15 C ATOM 169 O ALA A 105 5.652 21.771 -16.371 1.00 31.42 O ATOM 170 CB ALA A 105 3.798 19.955 -17.416 1.00 4.23 C ATOM 0 H ALA A 105 3.435 20.979 -14.493 1.00 45.10 H new ATOM 0 HA ALA A 105 4.620 18.776 -15.832 1.00 70.50 H new ATOM 0 HB1 ALA A 105 4.593 19.713 -18.121 1.00 4.23 H new ATOM 0 HB2 ALA A 105 2.960 19.275 -17.567 1.00 4.23 H new ATOM 0 HB3 ALA A 105 3.467 20.981 -17.580 1.00 4.23 H new ATOM 176 N ALA A 106 6.462 20.235 -14.940 1.00 74.22 N ATOM 177 CA ALA A 106 7.679 20.984 -14.653 1.00 61.13 C ATOM 178 C ALA A 106 8.750 20.081 -14.051 1.00 2.33 C ATOM 179 O ALA A 106 9.422 20.455 -13.088 1.00 74.01 O ATOM 180 CB ALA A 106 7.376 22.144 -13.717 1.00 52.34 C ATOM 0 H ALA A 106 6.387 19.347 -14.444 1.00 74.22 H new ATOM 0 HA ALA A 106 8.062 21.381 -15.593 1.00 61.13 H new ATOM 0 HB1 ALA A 106 8.294 22.695 -13.511 1.00 52.34 H new ATOM 0 HB2 ALA A 106 6.651 22.809 -14.185 1.00 52.34 H new ATOM 0 HB3 ALA A 106 6.966 21.760 -12.783 1.00 52.34 H new ATOM 186 N CYS A 107 8.905 18.892 -14.623 1.00 2.02 N ATOM 187 CA CYS A 107 9.894 17.935 -14.141 1.00 62.44 C ATOM 188 C CYS A 107 9.928 16.696 -15.031 1.00 62.41 C ATOM 189 O CYS A 107 9.764 15.572 -14.555 1.00 12.22 O ATOM 190 CB CYS A 107 9.586 17.533 -12.698 1.00 53.11 C ATOM 191 SG CYS A 107 10.916 16.586 -11.890 1.00 40.31 S ATOM 0 H CYS A 107 8.358 18.568 -15.421 1.00 2.02 H new ATOM 0 HA CYS A 107 10.873 18.413 -14.175 1.00 62.44 H new ATOM 0 HB2 CYS A 107 9.390 18.433 -12.115 1.00 53.11 H new ATOM 0 HB3 CYS A 107 8.672 16.939 -12.685 1.00 53.11 H new ATOM 196 N CYS A 108 10.144 16.908 -16.325 1.00 33.12 N ATOM 197 CA CYS A 108 10.200 15.809 -17.282 1.00 12.14 C ATOM 198 C CYS A 108 11.527 15.064 -17.177 1.00 44.01 C ATOM 199 O CYS A 108 12.349 15.107 -18.092 1.00 44.43 O ATOM 200 CB CYS A 108 10.008 16.335 -18.705 1.00 2.11 C ATOM 201 SG CYS A 108 8.298 16.212 -19.320 1.00 11.24 S ATOM 0 H CYS A 108 10.283 17.831 -16.735 1.00 33.12 H new ATOM 0 HA CYS A 108 9.394 15.114 -17.047 1.00 12.14 H new ATOM 0 HB2 CYS A 108 10.321 17.378 -18.740 1.00 2.11 H new ATOM 0 HB3 CYS A 108 10.665 15.782 -19.377 1.00 2.11 H new ATOM 206 N ASP A 109 11.729 14.380 -16.056 1.00 62.13 N ATOM 207 CA ASP A 109 12.955 13.623 -15.831 1.00 44.52 C ATOM 208 C ASP A 109 12.748 12.558 -14.761 1.00 21.50 C ATOM 209 O ASP A 109 13.043 12.759 -13.583 1.00 40.22 O ATOM 210 CB ASP A 109 14.091 14.563 -15.421 1.00 32.24 C ATOM 211 CG ASP A 109 15.459 13.978 -15.709 1.00 61.03 C ATOM 212 OD1 ASP A 109 15.558 12.740 -15.846 1.00 5.10 O ATOM 213 OD2 ASP A 109 16.432 14.757 -15.799 1.00 53.51 O ATOM 0 H ASP A 109 11.059 14.334 -15.288 1.00 62.13 H new ATOM 0 HA ASP A 109 13.223 13.126 -16.764 1.00 44.52 H new ATOM 0 HB2 ASP A 109 13.985 15.509 -15.951 1.00 32.24 H new ATOM 0 HB3 ASP A 109 14.010 14.783 -14.357 1.00 32.24 H new ATOM 218 N PRO A 110 12.227 11.394 -15.178 1.00 14.14 N ATOM 219 CA PRO A 110 11.967 10.272 -14.270 1.00 20.20 C ATOM 220 C PRO A 110 13.253 9.627 -13.763 1.00 60.32 C ATOM 221 O PRO A 110 13.221 8.748 -12.902 1.00 10.42 O ATOM 222 CB PRO A 110 11.181 9.288 -15.139 1.00 20.41 C ATOM 223 CG PRO A 110 11.592 9.602 -16.535 1.00 52.03 C ATOM 224 CD PRO A 110 11.851 11.083 -16.568 1.00 15.44 C ATOM 0 HA PRO A 110 11.435 10.588 -13.373 1.00 20.20 H new ATOM 0 HB2 PRO A 110 11.417 8.256 -14.880 1.00 20.41 H new ATOM 0 HB3 PRO A 110 10.106 9.413 -15.005 1.00 20.41 H new ATOM 0 HG2 PRO A 110 12.486 9.043 -16.814 1.00 52.03 H new ATOM 0 HG3 PRO A 110 10.810 9.327 -17.243 1.00 52.03 H new ATOM 0 HD2 PRO A 110 12.649 11.336 -17.266 1.00 15.44 H new ATOM 0 HD3 PRO A 110 10.967 11.639 -16.879 1.00 15.44 H new ATOM 232 N CYS A 111 14.383 10.070 -14.303 1.00 23.45 N ATOM 233 CA CYS A 111 15.681 9.536 -13.906 1.00 72.45 C ATOM 234 C CYS A 111 16.371 10.465 -12.912 1.00 51.43 C ATOM 235 O CYS A 111 17.465 10.174 -12.430 1.00 34.14 O ATOM 236 CB CYS A 111 16.570 9.334 -15.134 1.00 62.51 C ATOM 237 SG CYS A 111 17.338 7.685 -15.233 1.00 73.35 S ATOM 0 H CYS A 111 14.427 10.797 -15.017 1.00 23.45 H new ATOM 0 HA CYS A 111 15.517 8.573 -13.422 1.00 72.45 H new ATOM 0 HB2 CYS A 111 15.974 9.500 -16.032 1.00 62.51 H new ATOM 0 HB3 CYS A 111 17.356 10.089 -15.129 1.00 62.51 H new ATOM 242 N ALA A 112 15.724 11.587 -12.613 1.00 12.13 N ATOM 243 CA ALA A 112 16.273 12.559 -11.675 1.00 25.20 C ATOM 244 C ALA A 112 15.492 12.561 -10.366 1.00 24.21 C ATOM 245 O ALA A 112 14.628 11.712 -10.146 1.00 53.55 O ATOM 246 CB ALA A 112 16.272 13.948 -12.295 1.00 43.21 C ATOM 0 H ALA A 112 14.819 11.845 -13.007 1.00 12.13 H new ATOM 0 HA ALA A 112 17.301 12.273 -11.453 1.00 25.20 H new ATOM 0 HB1 ALA A 112 16.684 14.664 -11.584 1.00 43.21 H new ATOM 0 HB2 ALA A 112 16.880 13.943 -13.199 1.00 43.21 H new ATOM 0 HB3 ALA A 112 15.251 14.234 -12.546 1.00 43.21 H new ATOM 252 N SER A 113 15.803 13.519 -9.498 1.00 53.24 N ATOM 253 CA SER A 113 15.133 13.629 -8.207 1.00 60.45 C ATOM 254 C SER A 113 15.108 15.077 -7.729 1.00 53.20 C ATOM 255 O SER A 113 15.992 15.867 -8.059 1.00 43.32 O ATOM 256 CB SER A 113 15.832 12.749 -7.170 1.00 62.40 C ATOM 257 OG SER A 113 14.946 12.391 -6.124 1.00 21.24 O ATOM 0 H SER A 113 16.515 14.230 -9.665 1.00 53.24 H new ATOM 0 HA SER A 113 14.105 13.288 -8.329 1.00 60.45 H new ATOM 0 HB2 SER A 113 16.214 11.849 -7.651 1.00 62.40 H new ATOM 0 HB3 SER A 113 16.691 13.279 -6.758 1.00 62.40 H new ATOM 0 HG SER A 113 15.417 11.827 -5.475 1.00 21.24 H new ATOM 263 N CYS A 114 14.087 15.418 -6.950 1.00 25.04 N ATOM 264 CA CYS A 114 13.945 16.771 -6.426 1.00 12.43 C ATOM 265 C CYS A 114 15.026 17.071 -5.391 1.00 74.02 C ATOM 266 O CYS A 114 14.959 16.603 -4.254 1.00 74.10 O ATOM 267 CB CYS A 114 12.560 16.955 -5.800 1.00 32.14 C ATOM 268 SG CYS A 114 12.121 18.690 -5.463 1.00 10.22 S ATOM 0 H CYS A 114 13.346 14.776 -6.668 1.00 25.04 H new ATOM 0 HA CYS A 114 14.058 17.468 -7.256 1.00 12.43 H new ATOM 0 HB2 CYS A 114 11.812 16.525 -6.466 1.00 32.14 H new ATOM 0 HB3 CYS A 114 12.517 16.393 -4.867 1.00 32.14 H new ATOM 273 N TYR A 115 16.021 17.852 -5.794 1.00 11.11 N ATOM 274 CA TYR A 115 17.118 18.213 -4.903 1.00 64.51 C ATOM 275 C TYR A 115 17.062 19.694 -4.543 1.00 4.13 C ATOM 276 O TYR A 115 16.709 20.534 -5.370 1.00 42.25 O ATOM 277 CB TYR A 115 18.462 17.885 -5.557 1.00 44.34 C ATOM 278 CG TYR A 115 19.622 18.661 -4.976 1.00 64.01 C ATOM 279 CD1 TYR A 115 20.291 18.205 -3.846 1.00 71.22 C ATOM 280 CD2 TYR A 115 20.050 19.849 -5.556 1.00 22.24 C ATOM 281 CE1 TYR A 115 21.352 18.910 -3.310 1.00 52.45 C ATOM 282 CE2 TYR A 115 21.110 20.560 -5.028 1.00 25.55 C ATOM 283 CZ TYR A 115 21.759 20.087 -3.905 1.00 74.15 C ATOM 284 OH TYR A 115 22.814 20.792 -3.376 1.00 42.30 O ATOM 0 H TYR A 115 16.091 18.248 -6.732 1.00 11.11 H new ATOM 0 HA TYR A 115 17.016 17.631 -3.987 1.00 64.51 H new ATOM 0 HB2 TYR A 115 18.659 16.818 -5.449 1.00 44.34 H new ATOM 0 HB3 TYR A 115 18.397 18.091 -6.625 1.00 44.34 H new ATOM 0 HD1 TYR A 115 19.976 17.284 -3.379 1.00 71.22 H new ATOM 0 HD2 TYR A 115 19.545 20.223 -6.435 1.00 22.24 H new ATOM 0 HE1 TYR A 115 21.860 18.542 -2.431 1.00 52.45 H new ATOM 0 HE2 TYR A 115 21.430 21.482 -5.491 1.00 25.55 H new ATOM 0 HH TYR A 115 22.973 21.596 -3.914 1.00 42.30 H new ATOM 294 N CYS A 116 17.416 20.007 -3.300 1.00 71.15 N ATOM 295 CA CYS A 116 17.408 21.386 -2.827 1.00 15.12 C ATOM 296 C CYS A 116 18.808 21.826 -2.410 1.00 51.25 C ATOM 297 O CYS A 116 19.676 20.997 -2.141 1.00 40.24 O ATOM 298 CB CYS A 116 16.442 21.537 -1.649 1.00 21.01 C ATOM 299 SG CYS A 116 14.765 20.905 -1.976 1.00 52.51 S ATOM 0 H CYS A 116 17.712 19.324 -2.603 1.00 71.15 H new ATOM 0 HA CYS A 116 17.075 22.023 -3.646 1.00 15.12 H new ATOM 0 HB2 CYS A 116 16.854 21.014 -0.786 1.00 21.01 H new ATOM 0 HB3 CYS A 116 16.375 22.591 -1.381 1.00 21.01 H new ATOM 304 N ARG A 117 19.019 23.138 -2.360 1.00 53.34 N ATOM 305 CA ARG A 117 20.313 23.690 -1.978 1.00 33.15 C ATOM 306 C ARG A 117 20.203 24.486 -0.681 1.00 31.30 C ATOM 307 O ARG A 117 19.165 24.475 -0.020 1.00 31.14 O ATOM 308 CB ARG A 117 20.860 24.583 -3.093 1.00 1.10 C ATOM 309 CG ARG A 117 19.778 25.288 -3.895 1.00 33.14 C ATOM 310 CD ARG A 117 19.013 26.287 -3.040 1.00 33.14 C ATOM 311 NE ARG A 117 18.557 27.435 -3.818 1.00 15.44 N ATOM 312 CZ ARG A 117 19.369 28.380 -4.280 1.00 31.30 C ATOM 313 NH1 ARG A 117 20.672 28.311 -4.045 1.00 70.05 N ATOM 314 NH2 ARG A 117 18.878 29.394 -4.980 1.00 71.44 N ATOM 0 H ARG A 117 18.310 23.838 -2.579 1.00 53.34 H new ATOM 0 HA ARG A 117 21.001 22.860 -1.817 1.00 33.15 H new ATOM 0 HB2 ARG A 117 21.522 25.331 -2.656 1.00 1.10 H new ATOM 0 HB3 ARG A 117 21.465 23.977 -3.768 1.00 1.10 H new ATOM 0 HG2 ARG A 117 20.229 25.803 -4.743 1.00 33.14 H new ATOM 0 HG3 ARG A 117 19.086 24.550 -4.302 1.00 33.14 H new ATOM 0 HD2 ARG A 117 18.154 25.793 -2.585 1.00 33.14 H new ATOM 0 HD3 ARG A 117 19.651 26.631 -2.226 1.00 33.14 H new ATOM 0 HE ARG A 117 17.560 27.516 -4.018 1.00 15.44 H new ATOM 0 HH11 ARG A 117 21.053 27.531 -3.509 1.00 70.05 H new ATOM 0 HH12 ARG A 117 21.294 29.037 -4.401 1.00 70.05 H new ATOM 0 HH21 ARG A 117 17.876 29.449 -5.164 1.00 71.44 H new ATOM 0 HH22 ARG A 117 19.502 30.119 -5.334 1.00 71.44 H new ATOM 328 N PHE A 118 21.281 25.175 -0.322 1.00 44.02 N ATOM 329 CA PHE A 118 21.307 25.976 0.896 1.00 33.41 C ATOM 330 C PHE A 118 19.994 26.731 1.077 1.00 1.42 C ATOM 331 O PHE A 118 19.315 26.583 2.095 1.00 45.24 O ATOM 332 CB PHE A 118 22.476 26.962 0.859 1.00 41.51 C ATOM 333 CG PHE A 118 23.766 26.383 1.361 1.00 25.53 C ATOM 334 CD1 PHE A 118 24.302 25.244 0.781 1.00 64.40 C ATOM 335 CD2 PHE A 118 24.445 26.975 2.414 1.00 70.33 C ATOM 336 CE1 PHE A 118 25.489 24.707 1.242 1.00 45.40 C ATOM 337 CE2 PHE A 118 25.633 26.444 2.879 1.00 72.41 C ATOM 338 CZ PHE A 118 26.157 25.308 2.291 1.00 11.42 C ATOM 0 H PHE A 118 22.149 25.195 -0.858 1.00 44.02 H new ATOM 0 HA PHE A 118 21.438 25.302 1.742 1.00 33.41 H new ATOM 0 HB2 PHE A 118 22.617 27.308 -0.165 1.00 41.51 H new ATOM 0 HB3 PHE A 118 22.222 27.836 1.458 1.00 41.51 H new ATOM 0 HD1 PHE A 118 23.786 24.770 -0.041 1.00 64.40 H new ATOM 0 HD2 PHE A 118 24.040 27.863 2.877 1.00 70.33 H new ATOM 0 HE1 PHE A 118 25.894 23.818 0.782 1.00 45.40 H new ATOM 0 HE2 PHE A 118 26.151 26.916 3.701 1.00 72.41 H new ATOM 0 HZ PHE A 118 27.086 24.891 2.651 1.00 11.42 H new ATOM 348 N PHE A 119 19.642 27.542 0.086 1.00 63.14 N ATOM 349 CA PHE A 119 18.413 28.323 0.135 1.00 53.54 C ATOM 350 C PHE A 119 17.232 27.453 0.556 1.00 34.41 C ATOM 351 O PHE A 119 16.429 27.844 1.403 1.00 61.14 O ATOM 352 CB PHE A 119 18.131 28.959 -1.228 1.00 33.13 C ATOM 353 CG PHE A 119 17.491 30.315 -1.136 1.00 70.31 C ATOM 354 CD1 PHE A 119 18.094 31.333 -0.416 1.00 42.01 C ATOM 355 CD2 PHE A 119 16.285 30.570 -1.770 1.00 61.22 C ATOM 356 CE1 PHE A 119 17.507 32.582 -0.330 1.00 63.52 C ATOM 357 CE2 PHE A 119 15.694 31.817 -1.688 1.00 65.41 C ATOM 358 CZ PHE A 119 16.306 32.823 -0.966 1.00 12.11 C ATOM 0 H PHE A 119 20.192 27.676 -0.763 1.00 63.14 H new ATOM 0 HA PHE A 119 18.544 29.112 0.876 1.00 53.54 H new ATOM 0 HB2 PHE A 119 19.067 29.044 -1.781 1.00 33.13 H new ATOM 0 HB3 PHE A 119 17.481 28.298 -1.801 1.00 33.13 H new ATOM 0 HD1 PHE A 119 19.033 31.149 0.084 1.00 42.01 H new ATOM 0 HD2 PHE A 119 15.802 29.786 -2.334 1.00 61.22 H new ATOM 0 HE1 PHE A 119 17.988 33.368 0.234 1.00 63.52 H new ATOM 0 HE2 PHE A 119 14.755 32.004 -2.188 1.00 65.41 H new ATOM 0 HZ PHE A 119 15.845 33.797 -0.899 1.00 12.11 H new ATOM 368 N ARG A 120 17.134 26.269 -0.043 1.00 10.30 N ATOM 369 CA ARG A 120 16.052 25.344 0.268 1.00 35.24 C ATOM 370 C ARG A 120 14.700 25.938 -0.117 1.00 10.21 C ATOM 371 O ARG A 120 13.653 25.460 0.321 1.00 4.42 O ATOM 372 CB ARG A 120 16.062 24.995 1.757 1.00 31.34 C ATOM 373 CG ARG A 120 15.436 23.646 2.071 1.00 54.11 C ATOM 374 CD ARG A 120 16.402 22.505 1.795 1.00 73.53 C ATOM 375 NE ARG A 120 17.622 22.615 2.591 1.00 33.32 N ATOM 376 CZ ARG A 120 17.686 22.310 3.882 1.00 53.42 C ATOM 377 NH1 ARG A 120 16.606 21.880 4.520 1.00 72.31 N ATOM 378 NH2 ARG A 120 18.832 22.436 4.539 1.00 53.12 N ATOM 0 H ARG A 120 17.791 25.929 -0.746 1.00 10.30 H new ATOM 0 HA ARG A 120 16.208 24.435 -0.312 1.00 35.24 H new ATOM 0 HB2 ARG A 120 17.091 25.001 2.116 1.00 31.34 H new ATOM 0 HB3 ARG A 120 15.528 25.770 2.307 1.00 31.34 H new ATOM 0 HG2 ARG A 120 15.130 23.620 3.117 1.00 54.11 H new ATOM 0 HG3 ARG A 120 14.535 23.514 1.472 1.00 54.11 H new ATOM 0 HD2 ARG A 120 15.913 21.555 2.011 1.00 73.53 H new ATOM 0 HD3 ARG A 120 16.660 22.497 0.736 1.00 73.53 H new ATOM 0 HE ARG A 120 18.471 22.944 2.130 1.00 33.32 H new ATOM 0 HH11 ARG A 120 15.723 21.783 4.019 1.00 72.31 H new ATOM 0 HH12 ARG A 120 16.659 21.647 5.512 1.00 72.31 H new ATOM 0 HH21 ARG A 120 19.665 22.767 4.053 1.00 53.12 H new ATOM 0 HH22 ARG A 120 18.880 22.201 5.531 1.00 53.12 H new ATOM 392 N SER A 121 14.731 26.983 -0.937 1.00 63.14 N ATOM 393 CA SER A 121 13.509 27.646 -1.378 1.00 22.43 C ATOM 394 C SER A 121 13.364 27.564 -2.895 1.00 41.21 C ATOM 395 O SER A 121 12.287 27.805 -3.439 1.00 71.22 O ATOM 396 CB SER A 121 13.509 29.109 -0.932 1.00 13.34 C ATOM 397 OG SER A 121 12.436 29.371 -0.043 1.00 60.22 O ATOM 0 H SER A 121 15.589 27.389 -1.310 1.00 63.14 H new ATOM 0 HA SER A 121 12.662 27.135 -0.922 1.00 22.43 H new ATOM 0 HB2 SER A 121 14.455 29.344 -0.444 1.00 13.34 H new ATOM 0 HB3 SER A 121 13.430 29.758 -1.804 1.00 13.34 H new ATOM 0 HG SER A 121 12.459 30.312 0.229 1.00 60.22 H new ATOM 403 N ALA A 122 14.457 27.224 -3.571 1.00 12.53 N ATOM 404 CA ALA A 122 14.451 27.110 -5.023 1.00 24.40 C ATOM 405 C ALA A 122 14.965 25.744 -5.468 1.00 21.03 C ATOM 406 O ALA A 122 15.966 25.648 -6.179 1.00 30.12 O ATOM 407 CB ALA A 122 15.288 28.218 -5.643 1.00 52.23 C ATOM 0 H ALA A 122 15.357 27.023 -3.136 1.00 12.53 H new ATOM 0 HA ALA A 122 13.422 27.212 -5.367 1.00 24.40 H new ATOM 0 HB1 ALA A 122 15.274 28.120 -6.729 1.00 52.23 H new ATOM 0 HB2 ALA A 122 14.876 29.187 -5.361 1.00 52.23 H new ATOM 0 HB3 ALA A 122 16.315 28.142 -5.285 1.00 52.23 H new ATOM 413 N CYS A 123 14.276 24.690 -5.043 1.00 44.15 N ATOM 414 CA CYS A 123 14.663 23.330 -5.397 1.00 71.20 C ATOM 415 C CYS A 123 14.413 23.060 -6.878 1.00 15.23 C ATOM 416 O CYS A 123 13.612 23.743 -7.517 1.00 50.25 O ATOM 417 CB CYS A 123 13.892 22.321 -4.545 1.00 74.24 C ATOM 418 SG CYS A 123 13.920 22.679 -2.759 1.00 54.15 S ATOM 0 H CYS A 123 13.446 24.752 -4.453 1.00 44.15 H new ATOM 0 HA CYS A 123 15.730 23.220 -5.202 1.00 71.20 H new ATOM 0 HB2 CYS A 123 12.856 22.293 -4.883 1.00 74.24 H new ATOM 0 HB3 CYS A 123 14.308 21.328 -4.712 1.00 74.24 H new ATOM 423 N TYR A 124 15.101 22.060 -7.416 1.00 5.22 N ATOM 424 CA TYR A 124 14.955 21.700 -8.821 1.00 2.20 C ATOM 425 C TYR A 124 15.208 20.211 -9.031 1.00 20.32 C ATOM 426 O TYR A 124 15.840 19.552 -8.204 1.00 5.31 O ATOM 427 CB TYR A 124 15.919 22.518 -9.681 1.00 4.30 C ATOM 428 CG TYR A 124 17.209 22.872 -8.976 1.00 42.21 C ATOM 429 CD1 TYR A 124 18.173 21.904 -8.722 1.00 21.23 C ATOM 430 CD2 TYR A 124 17.464 24.174 -8.563 1.00 1.23 C ATOM 431 CE1 TYR A 124 19.352 22.222 -8.077 1.00 45.31 C ATOM 432 CE2 TYR A 124 18.640 24.502 -7.918 1.00 4.04 C ATOM 433 CZ TYR A 124 19.582 23.523 -7.677 1.00 61.31 C ATOM 434 OH TYR A 124 20.755 23.845 -7.035 1.00 24.22 O ATOM 0 H TYR A 124 15.766 21.484 -6.900 1.00 5.22 H new ATOM 0 HA TYR A 124 13.931 21.922 -9.122 1.00 2.20 H new ATOM 0 HB2 TYR A 124 16.152 21.956 -10.586 1.00 4.30 H new ATOM 0 HB3 TYR A 124 15.423 23.436 -9.995 1.00 4.30 H new ATOM 0 HD1 TYR A 124 17.997 20.885 -9.034 1.00 21.23 H new ATOM 0 HD2 TYR A 124 16.729 24.943 -8.750 1.00 1.23 H new ATOM 0 HE1 TYR A 124 20.090 21.457 -7.887 1.00 45.31 H new ATOM 0 HE2 TYR A 124 18.822 25.519 -7.604 1.00 4.04 H new ATOM 0 HH TYR A 124 20.759 24.802 -6.822 1.00 24.22 H new ATOM 444 N CYS A 125 14.709 19.683 -10.145 1.00 3.44 N ATOM 445 CA CYS A 125 14.879 18.272 -10.466 1.00 54.02 C ATOM 446 C CYS A 125 16.324 17.973 -10.856 1.00 33.23 C ATOM 447 O CYS A 125 16.696 18.073 -12.025 1.00 2.44 O ATOM 448 CB CYS A 125 13.939 17.870 -11.605 1.00 71.10 C ATOM 449 SG CYS A 125 12.364 17.145 -11.048 1.00 41.31 S ATOM 0 H CYS A 125 14.183 20.213 -10.840 1.00 3.44 H new ATOM 0 HA CYS A 125 14.633 17.691 -9.577 1.00 54.02 H new ATOM 0 HB2 CYS A 125 13.727 18.749 -12.214 1.00 71.10 H new ATOM 0 HB3 CYS A 125 14.450 17.153 -12.247 1.00 71.10 H new ATOM 454 N ARG A 126 17.133 17.605 -9.867 1.00 30.23 N ATOM 455 CA ARG A 126 18.536 17.292 -10.104 1.00 65.15 C ATOM 456 C ARG A 126 18.768 15.784 -10.088 1.00 32.42 C ATOM 457 O ARG A 126 18.279 15.080 -9.204 1.00 52.14 O ATOM 458 CB ARG A 126 19.417 17.965 -9.051 1.00 1.14 C ATOM 459 CG ARG A 126 20.868 18.120 -9.476 1.00 42.43 C ATOM 460 CD ARG A 126 21.637 19.019 -8.521 1.00 55.52 C ATOM 461 NE ARG A 126 22.415 18.252 -7.554 1.00 12.31 N ATOM 462 CZ ARG A 126 23.601 17.717 -7.823 1.00 34.22 C ATOM 463 NH1 ARG A 126 24.142 17.867 -9.025 1.00 75.20 N ATOM 464 NH2 ARG A 126 24.249 17.032 -6.889 1.00 75.35 N ATOM 0 H ARG A 126 16.840 17.517 -8.894 1.00 30.23 H new ATOM 0 HA ARG A 126 18.804 17.673 -11.089 1.00 65.15 H new ATOM 0 HB2 ARG A 126 19.008 18.949 -8.823 1.00 1.14 H new ATOM 0 HB3 ARG A 126 19.378 17.382 -8.131 1.00 1.14 H new ATOM 0 HG2 ARG A 126 21.343 17.140 -9.516 1.00 42.43 H new ATOM 0 HG3 ARG A 126 20.911 18.536 -10.483 1.00 42.43 H new ATOM 0 HD2 ARG A 126 22.304 19.667 -9.091 1.00 55.52 H new ATOM 0 HD3 ARG A 126 20.938 19.667 -7.992 1.00 55.52 H new ATOM 0 HE ARG A 126 22.027 18.119 -6.620 1.00 12.31 H new ATOM 0 HH11 ARG A 126 23.647 18.394 -9.745 1.00 75.20 H new ATOM 0 HH12 ARG A 126 25.053 17.455 -9.229 1.00 75.20 H new ATOM 0 HH21 ARG A 126 23.837 16.916 -5.963 1.00 75.35 H new ATOM 0 HH22 ARG A 126 25.159 16.622 -7.097 1.00 75.35 H new ATOM 478 N VAL A 127 19.516 15.294 -11.072 1.00 72.22 N ATOM 479 CA VAL A 127 19.813 13.870 -11.170 1.00 72.33 C ATOM 480 C VAL A 127 20.862 13.456 -10.145 1.00 32.40 C ATOM 481 O VAL A 127 22.063 13.599 -10.377 1.00 71.11 O ATOM 482 CB VAL A 127 20.311 13.497 -12.579 1.00 4.24 C ATOM 483 CG1 VAL A 127 19.162 13.514 -13.575 1.00 13.51 C ATOM 484 CG2 VAL A 127 21.422 14.440 -13.018 1.00 1.04 C ATOM 0 H VAL A 127 19.927 15.862 -11.812 1.00 72.22 H new ATOM 0 HA VAL A 127 18.883 13.337 -10.969 1.00 72.33 H new ATOM 0 HB VAL A 127 20.715 12.485 -12.546 1.00 4.24 H new ATOM 0 HG11 VAL A 127 19.534 13.248 -14.564 1.00 13.51 H new ATOM 0 HG12 VAL A 127 18.403 12.795 -13.267 1.00 13.51 H new ATOM 0 HG13 VAL A 127 18.724 14.512 -13.608 1.00 13.51 H new ATOM 0 HG21 VAL A 127 21.762 14.162 -14.016 1.00 1.04 H new ATOM 0 HG22 VAL A 127 21.046 15.463 -13.035 1.00 1.04 H new ATOM 0 HG23 VAL A 127 22.255 14.371 -12.318 1.00 1.04 H new ATOM 494 N LEU A 128 20.401 12.940 -9.010 1.00 61.13 N ATOM 495 CA LEU A 128 21.300 12.503 -7.948 1.00 74.43 C ATOM 496 C LEU A 128 21.604 11.014 -8.071 1.00 34.43 C ATOM 497 O LEU A 128 21.916 10.349 -7.083 1.00 0.15 O ATOM 498 CB LEU A 128 20.684 12.798 -6.579 1.00 12.12 C ATOM 499 CG LEU A 128 20.856 14.225 -6.059 1.00 51.33 C ATOM 500 CD1 LEU A 128 22.329 14.546 -5.858 1.00 2.42 C ATOM 501 CD2 LEU A 128 20.218 15.222 -7.017 1.00 24.03 C ATOM 0 H LEU A 128 19.410 12.814 -8.802 1.00 61.13 H new ATOM 0 HA LEU A 128 22.235 13.055 -8.046 1.00 74.43 H new ATOM 0 HB2 LEU A 128 19.618 12.576 -6.627 1.00 12.12 H new ATOM 0 HB3 LEU A 128 21.119 12.113 -5.852 1.00 12.12 H new ATOM 0 HG LEU A 128 20.353 14.303 -5.095 1.00 51.33 H new ATOM 0 HD11 LEU A 128 22.432 15.566 -5.488 1.00 2.42 H new ATOM 0 HD12 LEU A 128 22.757 13.852 -5.134 1.00 2.42 H new ATOM 0 HD13 LEU A 128 22.855 14.450 -6.808 1.00 2.42 H new ATOM 0 HD21 LEU A 128 20.350 16.233 -6.631 1.00 24.03 H new ATOM 0 HD22 LEU A 128 20.693 15.142 -7.995 1.00 24.03 H new ATOM 0 HD23 LEU A 128 19.154 15.006 -7.112 1.00 24.03 H new ATOM 513 N SER A 129 21.513 10.495 -9.291 1.00 71.53 N ATOM 514 CA SER A 129 21.778 9.083 -9.544 1.00 73.30 C ATOM 515 C SER A 129 23.181 8.885 -10.110 1.00 52.42 C ATOM 516 O SER A 129 23.839 7.882 -9.834 1.00 52.12 O ATOM 517 CB SER A 129 20.739 8.513 -10.512 1.00 43.43 C ATOM 518 OG SER A 129 20.764 7.096 -10.511 1.00 13.21 O ATOM 0 H SER A 129 21.258 11.031 -10.120 1.00 71.53 H new ATOM 0 HA SER A 129 21.711 8.551 -8.595 1.00 73.30 H new ATOM 0 HB2 SER A 129 19.745 8.862 -10.231 1.00 43.43 H new ATOM 0 HB3 SER A 129 20.934 8.883 -11.519 1.00 43.43 H new ATOM 0 HG SER A 129 20.090 6.756 -11.136 1.00 13.21 H new ATOM 524 N LEU A 130 23.632 9.850 -10.904 1.00 63.11 N ATOM 525 CA LEU A 130 24.957 9.785 -11.511 1.00 34.44 C ATOM 526 C LEU A 130 25.105 8.528 -12.363 1.00 34.34 C ATOM 527 O LEU A 130 26.216 8.068 -12.621 1.00 44.13 O ATOM 528 CB LEU A 130 26.037 9.810 -10.428 1.00 41.11 C ATOM 529 CG LEU A 130 25.898 10.902 -9.366 1.00 41.03 C ATOM 530 CD1 LEU A 130 26.672 10.529 -8.112 1.00 72.11 C ATOM 531 CD2 LEU A 130 26.375 12.240 -9.912 1.00 61.41 C ATOM 0 H LEU A 130 23.100 10.687 -11.143 1.00 63.11 H new ATOM 0 HA LEU A 130 25.077 10.655 -12.156 1.00 34.44 H new ATOM 0 HB2 LEU A 130 26.043 8.842 -9.927 1.00 41.11 H new ATOM 0 HB3 LEU A 130 27.007 9.924 -10.913 1.00 41.11 H new ATOM 0 HG LEU A 130 24.844 10.994 -9.103 1.00 41.03 H new ATOM 0 HD11 LEU A 130 26.561 11.318 -7.368 1.00 72.11 H new ATOM 0 HD12 LEU A 130 26.284 9.593 -7.710 1.00 72.11 H new ATOM 0 HD13 LEU A 130 27.727 10.408 -8.358 1.00 72.11 H new ATOM 0 HD21 LEU A 130 26.269 13.005 -9.143 1.00 61.41 H new ATOM 0 HD22 LEU A 130 27.422 12.161 -10.204 1.00 61.41 H new ATOM 0 HD23 LEU A 130 25.776 12.513 -10.781 1.00 61.41 H new ATOM 543 N ASN A 131 23.975 7.977 -12.796 1.00 32.03 N ATOM 544 CA ASN A 131 23.979 6.774 -13.620 1.00 74.41 C ATOM 545 C ASN A 131 23.289 7.027 -14.957 1.00 50.30 C ATOM 546 O ASN A 131 23.673 6.466 -15.983 1.00 2.22 O ATOM 547 CB ASN A 131 23.284 5.625 -12.886 1.00 11.33 C ATOM 548 CG ASN A 131 24.186 4.967 -11.859 1.00 33.52 C ATOM 549 OD1 ASN A 131 25.410 4.997 -11.982 1.00 2.13 O ATOM 550 ND2 ASN A 131 23.582 4.366 -10.841 1.00 34.55 N ATOM 0 H ASN A 131 23.046 8.344 -12.590 1.00 32.03 H new ATOM 0 HA ASN A 131 25.016 6.500 -13.812 1.00 74.41 H new ATOM 0 HB2 ASN A 131 22.389 6.002 -12.391 1.00 11.33 H new ATOM 0 HB3 ASN A 131 22.958 4.879 -13.611 1.00 11.33 H new ATOM 0 HD21 ASN A 131 24.136 3.904 -10.120 1.00 34.55 H new ATOM 0 HD22 ASN A 131 22.564 4.366 -10.780 1.00 34.55 H new ATOM 557 N CYS A 132 22.268 7.878 -14.938 1.00 2.23 N ATOM 558 CA CYS A 132 21.523 8.208 -16.147 1.00 23.40 C ATOM 559 C CYS A 132 22.321 9.160 -17.033 1.00 41.54 C ATOM 560 O CYS A 132 22.541 8.887 -18.214 1.00 13.42 O ATOM 561 CB CYS A 132 20.177 8.837 -15.786 1.00 11.12 C ATOM 562 SG CYS A 132 19.213 7.884 -14.569 1.00 15.31 S ATOM 0 H CYS A 132 21.938 8.352 -14.097 1.00 2.23 H new ATOM 0 HA CYS A 132 21.348 7.285 -16.700 1.00 23.40 H new ATOM 0 HB2 CYS A 132 20.350 9.839 -15.392 1.00 11.12 H new ATOM 0 HB3 CYS A 132 19.585 8.949 -16.694 1.00 11.12 H new