USER MOD reduce.3.24.130724 H: found=0, std=0, add=272, rem=0, adj=7 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 -34:sc= 0.0417! USER MOD Single : A 98 ASN : amide:sc= -0.0184 K(o=-0.018,f=-0.86) USER MOD Single : A 99 SER OG : rot 7:sc= 1.17 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 150:sc= 0 USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD Single : A 131 ASN : amide:sc= -0.0142 K(o=-0.014,f=-1.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 93 8.595 20.814 -20.297 1.00 30.21 N ATOM 2 CA CYS A 93 8.855 20.499 -18.897 1.00 64.22 C ATOM 3 C CYS A 93 10.274 20.900 -18.505 1.00 23.42 C ATOM 4 O CYS A 93 11.010 21.482 -19.302 1.00 4.15 O ATOM 5 CB CYS A 93 8.647 19.004 -18.642 1.00 54.03 C ATOM 6 SG CYS A 93 9.365 17.925 -19.922 1.00 31.11 S ATOM 0 HA CYS A 93 8.153 21.066 -18.286 1.00 64.22 H new ATOM 0 HB2 CYS A 93 9.085 18.746 -17.677 1.00 54.03 H new ATOM 0 HB3 CYS A 93 7.578 18.804 -18.571 1.00 54.03 H new ATOM 11 N VAL A 94 10.652 20.583 -17.270 1.00 1.21 N ATOM 12 CA VAL A 94 11.983 20.909 -16.770 1.00 71.41 C ATOM 13 C VAL A 94 13.000 19.851 -17.187 1.00 55.32 C ATOM 14 O VAL A 94 12.777 18.656 -17.005 1.00 32.42 O ATOM 15 CB VAL A 94 11.991 21.036 -15.236 1.00 41.32 C ATOM 16 CG1 VAL A 94 13.374 20.732 -14.682 1.00 2.42 C ATOM 17 CG2 VAL A 94 11.532 22.423 -14.814 1.00 54.52 C ATOM 0 H VAL A 94 10.055 20.101 -16.598 1.00 1.21 H new ATOM 0 HA VAL A 94 12.260 21.868 -17.207 1.00 71.41 H new ATOM 0 HB VAL A 94 11.293 20.307 -14.825 1.00 41.32 H new ATOM 0 HG11 VAL A 94 13.360 20.827 -13.596 1.00 2.42 H new ATOM 0 HG12 VAL A 94 13.660 19.716 -14.954 1.00 2.42 H new ATOM 0 HG13 VAL A 94 14.095 21.435 -15.098 1.00 2.42 H new ATOM 0 HG21 VAL A 94 11.544 22.495 -13.726 1.00 54.52 H new ATOM 0 HG22 VAL A 94 12.203 23.172 -15.235 1.00 54.52 H new ATOM 0 HG23 VAL A 94 10.520 22.598 -15.178 1.00 54.52 H new ATOM 27 N ALA A 95 14.117 20.302 -17.747 1.00 2.11 N ATOM 28 CA ALA A 95 15.171 19.396 -18.187 1.00 30.32 C ATOM 29 C ALA A 95 15.974 18.872 -17.001 1.00 64.53 C ATOM 30 O ALA A 95 15.940 17.680 -16.692 1.00 51.15 O ATOM 31 CB ALA A 95 16.087 20.093 -19.181 1.00 51.11 C ATOM 0 H ALA A 95 14.316 21.290 -17.907 1.00 2.11 H new ATOM 0 HA ALA A 95 14.702 18.544 -18.680 1.00 30.32 H new ATOM 0 HB1 ALA A 95 16.869 19.404 -19.500 1.00 51.11 H new ATOM 0 HB2 ALA A 95 15.508 20.412 -20.048 1.00 51.11 H new ATOM 0 HB3 ALA A 95 16.542 20.964 -18.708 1.00 51.11 H new ATOM 37 N THR A 96 16.700 19.769 -16.341 1.00 22.10 N ATOM 38 CA THR A 96 17.514 19.397 -15.192 1.00 13.53 C ATOM 39 C THR A 96 17.905 20.623 -14.375 1.00 4.13 C ATOM 40 O THR A 96 18.098 21.709 -14.922 1.00 52.42 O ATOM 41 CB THR A 96 18.792 18.653 -15.625 1.00 2.52 C ATOM 42 OG1 THR A 96 18.491 17.741 -16.687 1.00 20.24 O ATOM 43 CG2 THR A 96 19.399 17.895 -14.454 1.00 45.05 C ATOM 0 H THR A 96 16.740 20.759 -16.583 1.00 22.10 H new ATOM 0 HA THR A 96 16.907 18.733 -14.577 1.00 13.53 H new ATOM 0 HB THR A 96 19.515 19.390 -15.974 1.00 2.52 H new ATOM 0 HG1 THR A 96 17.591 17.374 -16.558 1.00 20.24 H new ATOM 0 HG21 THR A 96 20.300 17.378 -14.783 1.00 45.05 H new ATOM 0 HG22 THR A 96 19.653 18.596 -13.659 1.00 45.05 H new ATOM 0 HG23 THR A 96 18.679 17.167 -14.079 1.00 45.05 H new ATOM 51 N ARG A 97 18.023 20.443 -13.064 1.00 22.54 N ATOM 52 CA ARG A 97 18.391 21.535 -12.171 1.00 51.53 C ATOM 53 C ARG A 97 17.715 22.836 -12.596 1.00 72.12 C ATOM 54 O ARG A 97 18.322 23.905 -12.554 1.00 51.04 O ATOM 55 CB ARG A 97 19.910 21.720 -12.156 1.00 32.14 C ATOM 56 CG ARG A 97 20.469 22.275 -13.455 1.00 42.41 C ATOM 57 CD ARG A 97 20.952 21.164 -14.374 1.00 3.23 C ATOM 58 NE ARG A 97 20.848 21.534 -15.783 1.00 43.42 N ATOM 59 CZ ARG A 97 21.748 22.278 -16.416 1.00 12.50 C ATOM 60 NH1 ARG A 97 22.814 22.729 -15.770 1.00 21.03 N ATOM 61 NH2 ARG A 97 21.582 22.572 -17.699 1.00 44.34 N ATOM 0 H ARG A 97 17.869 19.550 -12.596 1.00 22.54 H new ATOM 0 HA ARG A 97 18.052 21.280 -11.167 1.00 51.53 H new ATOM 0 HB2 ARG A 97 20.178 22.391 -11.339 1.00 32.14 H new ATOM 0 HB3 ARG A 97 20.382 20.760 -11.948 1.00 32.14 H new ATOM 0 HG2 ARG A 97 19.702 22.860 -13.962 1.00 42.41 H new ATOM 0 HG3 ARG A 97 21.294 22.953 -13.237 1.00 42.41 H new ATOM 0 HD2 ARG A 97 21.989 20.924 -14.138 1.00 3.23 H new ATOM 0 HD3 ARG A 97 20.366 20.263 -14.192 1.00 3.23 H new ATOM 0 HE ARG A 97 20.040 21.203 -16.310 1.00 43.42 H new ATOM 0 HH11 ARG A 97 22.945 22.505 -14.784 1.00 21.03 H new ATOM 0 HH12 ARG A 97 23.503 23.300 -16.259 1.00 21.03 H new ATOM 0 HH21 ARG A 97 20.763 22.227 -18.200 1.00 44.34 H new ATOM 0 HH22 ARG A 97 22.273 23.143 -18.185 1.00 44.34 H new ATOM 75 N ASN A 98 16.454 22.734 -13.006 1.00 3.45 N ATOM 76 CA ASN A 98 15.696 23.902 -13.440 1.00 35.04 C ATOM 77 C ASN A 98 14.715 24.346 -12.358 1.00 73.42 C ATOM 78 O ASN A 98 14.841 25.436 -11.801 1.00 50.21 O ATOM 79 CB ASN A 98 14.940 23.593 -14.734 1.00 10.32 C ATOM 80 CG ASN A 98 14.815 24.807 -15.634 1.00 12.52 C ATOM 81 OD1 ASN A 98 14.943 25.945 -15.182 1.00 12.43 O ATOM 82 ND2 ASN A 98 14.563 24.570 -16.916 1.00 63.50 N ATOM 0 H ASN A 98 15.937 21.856 -13.047 1.00 3.45 H new ATOM 0 HA ASN A 98 16.400 24.714 -13.623 1.00 35.04 H new ATOM 0 HB2 ASN A 98 15.455 22.797 -15.272 1.00 10.32 H new ATOM 0 HB3 ASN A 98 13.945 23.221 -14.490 1.00 10.32 H new ATOM 0 HD21 ASN A 98 14.468 25.348 -17.569 1.00 63.50 H new ATOM 0 HD22 ASN A 98 14.465 23.610 -17.247 1.00 63.50 H new ATOM 89 N SER A 99 13.738 23.493 -12.067 1.00 73.15 N ATOM 90 CA SER A 99 12.733 23.798 -11.055 1.00 62.54 C ATOM 91 C SER A 99 12.007 22.531 -10.612 1.00 44.40 C ATOM 92 O SER A 99 11.789 21.616 -11.406 1.00 44.12 O ATOM 93 CB SER A 99 11.726 24.814 -11.597 1.00 11.41 C ATOM 94 OG SER A 99 12.278 26.119 -11.615 1.00 3.22 O ATOM 0 H SER A 99 13.621 22.585 -12.518 1.00 73.15 H new ATOM 0 HA SER A 99 13.241 24.226 -10.191 1.00 62.54 H new ATOM 0 HB2 SER A 99 11.424 24.529 -12.605 1.00 11.41 H new ATOM 0 HB3 SER A 99 10.827 24.804 -10.980 1.00 11.41 H new ATOM 0 HG SER A 99 13.228 26.076 -11.378 1.00 3.22 H new ATOM 100 N CYS A 100 11.635 22.487 -9.337 1.00 33.40 N ATOM 101 CA CYS A 100 10.933 21.334 -8.785 1.00 43.31 C ATOM 102 C CYS A 100 9.440 21.619 -8.651 1.00 0.45 C ATOM 103 O CYS A 100 8.907 22.515 -9.305 1.00 35.52 O ATOM 104 CB CYS A 100 11.517 20.960 -7.422 1.00 11.33 C ATOM 105 SG CYS A 100 11.793 19.173 -7.194 1.00 55.52 S ATOM 0 H CYS A 100 11.808 23.236 -8.667 1.00 33.40 H new ATOM 0 HA CYS A 100 11.065 20.497 -9.471 1.00 43.31 H new ATOM 0 HB2 CYS A 100 12.464 21.483 -7.289 1.00 11.33 H new ATOM 0 HB3 CYS A 100 10.845 21.315 -6.641 1.00 11.33 H new ATOM 110 N LYS A 101 8.771 20.850 -7.797 1.00 61.14 N ATOM 111 CA LYS A 101 7.341 21.019 -7.574 1.00 10.30 C ATOM 112 C LYS A 101 6.556 20.767 -8.858 1.00 10.54 C ATOM 113 O LYS A 101 6.143 21.695 -9.554 1.00 32.02 O ATOM 114 CB LYS A 101 7.048 22.429 -7.054 1.00 22.15 C ATOM 115 CG LYS A 101 7.433 22.632 -5.598 1.00 75.43 C ATOM 116 CD LYS A 101 8.848 23.167 -5.465 1.00 70.52 C ATOM 117 CE LYS A 101 9.488 22.732 -4.156 1.00 35.31 C ATOM 118 NZ LYS A 101 8.850 23.390 -2.982 1.00 62.43 N ATOM 0 H LYS A 101 9.198 20.104 -7.248 1.00 61.14 H new ATOM 0 HA LYS A 101 7.027 20.290 -6.827 1.00 10.30 H new ATOM 0 HB2 LYS A 101 7.585 23.152 -7.667 1.00 22.15 H new ATOM 0 HB3 LYS A 101 5.985 22.637 -7.173 1.00 22.15 H new ATOM 0 HG2 LYS A 101 6.735 23.326 -5.130 1.00 75.43 H new ATOM 0 HG3 LYS A 101 7.349 21.686 -5.063 1.00 75.43 H new ATOM 0 HD2 LYS A 101 9.452 22.814 -6.301 1.00 70.52 H new ATOM 0 HD3 LYS A 101 8.833 24.256 -5.520 1.00 70.52 H new ATOM 0 HE2 LYS A 101 9.407 21.650 -4.054 1.00 35.31 H new ATOM 0 HE3 LYS A 101 10.551 22.972 -4.174 1.00 35.31 H new ATOM 0 HZ1 LYS A 101 9.314 23.068 -2.109 1.00 62.43 H new ATOM 0 HZ2 LYS A 101 8.949 24.422 -3.066 1.00 62.43 H new ATOM 0 HZ3 LYS A 101 7.841 23.140 -2.950 1.00 62.43 H new ATOM 132 N PRO A 102 6.344 19.482 -9.180 1.00 20.21 N ATOM 133 CA PRO A 102 5.606 19.079 -10.380 1.00 72.21 C ATOM 134 C PRO A 102 4.119 19.402 -10.283 1.00 2.24 C ATOM 135 O PRO A 102 3.284 18.503 -10.180 1.00 32.14 O ATOM 136 CB PRO A 102 5.821 17.564 -10.436 1.00 31.11 C ATOM 137 CG PRO A 102 6.084 17.167 -9.025 1.00 24.43 C ATOM 138 CD PRO A 102 6.808 18.325 -8.396 1.00 54.02 C ATOM 0 HA PRO A 102 5.954 19.607 -11.268 1.00 72.21 H new ATOM 0 HB2 PRO A 102 4.944 17.054 -10.834 1.00 31.11 H new ATOM 0 HB3 PRO A 102 6.660 17.307 -11.083 1.00 31.11 H new ATOM 0 HG2 PRO A 102 5.153 16.957 -8.499 1.00 24.43 H new ATOM 0 HG3 PRO A 102 6.687 16.260 -8.981 1.00 24.43 H new ATOM 0 HD2 PRO A 102 6.559 18.429 -7.340 1.00 54.02 H new ATOM 0 HD3 PRO A 102 7.890 18.205 -8.458 1.00 54.02 H new ATOM 146 N ALA A 103 3.795 20.690 -10.315 1.00 52.52 N ATOM 147 CA ALA A 103 2.408 21.131 -10.233 1.00 51.24 C ATOM 148 C ALA A 103 1.935 21.706 -11.565 1.00 0.23 C ATOM 149 O ALA A 103 0.838 21.398 -12.030 1.00 33.45 O ATOM 150 CB ALA A 103 2.247 22.161 -9.125 1.00 13.03 C ATOM 0 H ALA A 103 4.474 21.447 -10.397 1.00 52.52 H new ATOM 0 HA ALA A 103 1.790 20.264 -10.001 1.00 51.24 H new ATOM 0 HB1 ALA A 103 1.206 22.482 -9.075 1.00 13.03 H new ATOM 0 HB2 ALA A 103 2.537 21.718 -8.172 1.00 13.03 H new ATOM 0 HB3 ALA A 103 2.882 23.022 -9.333 1.00 13.03 H new ATOM 156 N ALA A 104 2.769 22.544 -12.172 1.00 72.22 N ATOM 157 CA ALA A 104 2.435 23.160 -13.450 1.00 2.15 C ATOM 158 C ALA A 104 2.940 22.316 -14.615 1.00 32.14 C ATOM 159 O ALA A 104 2.814 22.703 -15.776 1.00 1.53 O ATOM 160 CB ALA A 104 3.013 24.566 -13.525 1.00 22.31 C ATOM 0 H ALA A 104 3.680 22.812 -11.800 1.00 72.22 H new ATOM 0 HA ALA A 104 1.349 23.221 -13.523 1.00 2.15 H new ATOM 0 HB1 ALA A 104 2.756 25.014 -14.485 1.00 22.31 H new ATOM 0 HB2 ALA A 104 2.600 25.173 -12.719 1.00 22.31 H new ATOM 0 HB3 ALA A 104 4.097 24.519 -13.425 1.00 22.31 H new ATOM 166 N ALA A 105 3.514 21.159 -14.297 1.00 53.23 N ATOM 167 CA ALA A 105 4.036 20.260 -15.318 1.00 60.41 C ATOM 168 C ALA A 105 5.412 20.712 -15.796 1.00 25.15 C ATOM 169 O ALA A 105 5.615 20.965 -16.982 1.00 63.04 O ATOM 170 CB ALA A 105 3.071 20.174 -16.490 1.00 72.24 C ATOM 0 H ALA A 105 3.629 20.823 -13.341 1.00 53.23 H new ATOM 0 HA ALA A 105 4.141 19.270 -14.875 1.00 60.41 H new ATOM 0 HB1 ALA A 105 3.474 19.499 -17.245 1.00 72.24 H new ATOM 0 HB2 ALA A 105 2.109 19.797 -16.142 1.00 72.24 H new ATOM 0 HB3 ALA A 105 2.937 21.165 -16.924 1.00 72.24 H new ATOM 176 N ALA A 106 6.354 20.811 -14.863 1.00 33.41 N ATOM 177 CA ALA A 106 7.711 21.232 -15.189 1.00 20.42 C ATOM 178 C ALA A 106 8.741 20.347 -14.496 1.00 32.53 C ATOM 179 O ALA A 106 9.473 20.799 -13.616 1.00 42.52 O ATOM 180 CB ALA A 106 7.919 22.688 -14.804 1.00 24.21 C ATOM 0 H ALA A 106 6.202 20.605 -13.876 1.00 33.41 H new ATOM 0 HA ALA A 106 7.848 21.130 -16.266 1.00 20.42 H new ATOM 0 HB1 ALA A 106 8.937 22.988 -15.053 1.00 24.21 H new ATOM 0 HB2 ALA A 106 7.212 23.313 -15.350 1.00 24.21 H new ATOM 0 HB3 ALA A 106 7.757 22.808 -13.733 1.00 24.21 H new ATOM 186 N CYS A 107 8.793 19.080 -14.898 1.00 1.10 N ATOM 187 CA CYS A 107 9.733 18.131 -14.315 1.00 61.01 C ATOM 188 C CYS A 107 9.512 16.730 -14.879 1.00 34.13 C ATOM 189 O CYS A 107 8.850 15.897 -14.259 1.00 23.33 O ATOM 190 CB CYS A 107 9.589 18.108 -12.792 1.00 12.02 C ATOM 191 SG CYS A 107 11.091 18.615 -11.895 1.00 3.41 S ATOM 0 H CYS A 107 8.195 18.688 -15.625 1.00 1.10 H new ATOM 0 HA CYS A 107 10.742 18.453 -14.573 1.00 61.01 H new ATOM 0 HB2 CYS A 107 8.768 18.766 -12.505 1.00 12.02 H new ATOM 0 HB3 CYS A 107 9.314 17.101 -12.479 1.00 12.02 H new ATOM 196 N CYS A 108 10.068 16.479 -16.058 1.00 51.25 N ATOM 197 CA CYS A 108 9.933 15.181 -16.708 1.00 33.21 C ATOM 198 C CYS A 108 11.246 14.406 -16.656 1.00 50.12 C ATOM 199 O CYS A 108 11.869 14.150 -17.687 1.00 73.51 O ATOM 200 CB CYS A 108 9.490 15.358 -18.161 1.00 73.44 C ATOM 201 SG CYS A 108 10.518 16.520 -19.115 1.00 73.44 S ATOM 0 H CYS A 108 10.618 17.158 -16.584 1.00 51.25 H new ATOM 0 HA CYS A 108 9.175 14.612 -16.171 1.00 33.21 H new ATOM 0 HB2 CYS A 108 9.505 14.387 -18.655 1.00 73.44 H new ATOM 0 HB3 CYS A 108 8.458 15.707 -18.175 1.00 73.44 H new ATOM 206 N ASP A 109 11.662 14.037 -15.449 1.00 73.24 N ATOM 207 CA ASP A 109 12.900 13.291 -15.262 1.00 63.30 C ATOM 208 C ASP A 109 12.711 12.170 -14.244 1.00 41.54 C ATOM 209 O ASP A 109 12.943 12.341 -13.046 1.00 54.34 O ATOM 210 CB ASP A 109 14.021 14.227 -14.806 1.00 52.33 C ATOM 211 CG ASP A 109 15.382 13.788 -15.309 1.00 3.52 C ATOM 212 OD1 ASP A 109 15.627 12.565 -15.366 1.00 42.51 O ATOM 213 OD2 ASP A 109 16.203 14.668 -15.644 1.00 2.43 O ATOM 0 H ASP A 109 11.159 14.243 -14.586 1.00 73.24 H new ATOM 0 HA ASP A 109 13.175 12.846 -16.218 1.00 63.30 H new ATOM 0 HB2 ASP A 109 13.814 15.237 -15.161 1.00 52.33 H new ATOM 0 HB3 ASP A 109 14.035 14.268 -13.717 1.00 52.33 H new ATOM 218 N PRO A 110 12.280 10.997 -14.729 1.00 23.30 N ATOM 219 CA PRO A 110 12.050 9.826 -13.877 1.00 74.04 C ATOM 220 C PRO A 110 13.348 9.236 -13.338 1.00 51.45 C ATOM 221 O PRO A 110 13.332 8.323 -12.513 1.00 14.32 O ATOM 222 CB PRO A 110 11.363 8.833 -14.819 1.00 31.32 C ATOM 223 CG PRO A 110 11.815 9.228 -16.183 1.00 1.51 C ATOM 224 CD PRO A 110 11.984 10.723 -16.145 1.00 21.35 C ATOM 0 HA PRO A 110 11.463 10.075 -12.993 1.00 74.04 H new ATOM 0 HB2 PRO A 110 11.649 7.807 -14.589 1.00 31.32 H new ATOM 0 HB3 PRO A 110 10.278 8.889 -14.730 1.00 31.32 H new ATOM 0 HG2 PRO A 110 12.752 8.735 -16.442 1.00 1.51 H new ATOM 0 HG3 PRO A 110 11.083 8.937 -16.937 1.00 1.51 H new ATOM 0 HD2 PRO A 110 12.794 11.052 -16.796 1.00 21.35 H new ATOM 0 HD3 PRO A 110 11.081 11.238 -16.474 1.00 21.35 H new ATOM 232 N CYS A 111 14.472 9.765 -13.808 1.00 45.24 N ATOM 233 CA CYS A 111 15.781 9.293 -13.373 1.00 62.13 C ATOM 234 C CYS A 111 16.445 10.306 -12.445 1.00 41.14 C ATOM 235 O CYS A 111 17.558 10.090 -11.968 1.00 33.11 O ATOM 236 CB CYS A 111 16.680 9.030 -14.583 1.00 61.32 C ATOM 237 SG CYS A 111 17.129 7.279 -14.809 1.00 31.32 S ATOM 0 H CYS A 111 14.503 10.522 -14.491 1.00 45.24 H new ATOM 0 HA CYS A 111 15.639 8.362 -12.824 1.00 62.13 H new ATOM 0 HB2 CYS A 111 16.174 9.383 -15.482 1.00 61.32 H new ATOM 0 HB3 CYS A 111 17.592 9.617 -14.479 1.00 61.32 H new ATOM 242 N ALA A 112 15.752 11.412 -12.194 1.00 0.13 N ATOM 243 CA ALA A 112 16.272 12.457 -11.321 1.00 50.32 C ATOM 244 C ALA A 112 15.559 12.453 -9.973 1.00 31.00 C ATOM 245 O ALA A 112 14.815 11.523 -9.657 1.00 0.43 O ATOM 246 CB ALA A 112 16.136 13.818 -11.988 1.00 31.14 C ATOM 0 H ALA A 112 14.829 11.607 -12.583 1.00 0.13 H new ATOM 0 HA ALA A 112 17.328 12.255 -11.144 1.00 50.32 H new ATOM 0 HB1 ALA A 112 16.528 14.589 -11.325 1.00 31.14 H new ATOM 0 HB2 ALA A 112 16.697 13.823 -12.922 1.00 31.14 H new ATOM 0 HB3 ALA A 112 15.085 14.018 -12.195 1.00 31.14 H new ATOM 252 N SER A 113 15.790 13.496 -9.182 1.00 33.51 N ATOM 253 CA SER A 113 15.172 13.609 -7.867 1.00 23.15 C ATOM 254 C SER A 113 15.133 15.063 -7.409 1.00 55.52 C ATOM 255 O SER A 113 16.025 15.852 -7.726 1.00 10.15 O ATOM 256 CB SER A 113 15.937 12.763 -6.846 1.00 73.01 C ATOM 257 OG SER A 113 15.101 12.393 -5.762 1.00 43.25 O ATOM 0 H SER A 113 16.401 14.275 -9.429 1.00 33.51 H new ATOM 0 HA SER A 113 14.149 13.241 -7.941 1.00 23.15 H new ATOM 0 HB2 SER A 113 16.328 11.868 -7.330 1.00 73.01 H new ATOM 0 HB3 SER A 113 16.794 13.324 -6.473 1.00 73.01 H new ATOM 0 HG SER A 113 15.612 11.852 -5.125 1.00 43.25 H new ATOM 263 N CYS A 114 14.092 15.414 -6.661 1.00 72.41 N ATOM 264 CA CYS A 114 13.932 16.773 -6.159 1.00 60.01 C ATOM 265 C CYS A 114 15.055 17.130 -5.188 1.00 60.32 C ATOM 266 O CYS A 114 15.078 16.660 -4.050 1.00 24.12 O ATOM 267 CB CYS A 114 12.576 16.928 -5.467 1.00 44.32 C ATOM 268 SG CYS A 114 12.007 18.654 -5.327 1.00 22.44 S ATOM 0 H CYS A 114 13.346 14.774 -6.389 1.00 72.41 H new ATOM 0 HA CYS A 114 13.979 17.455 -7.008 1.00 60.01 H new ATOM 0 HB2 CYS A 114 11.831 16.354 -6.018 1.00 44.32 H new ATOM 0 HB3 CYS A 114 12.638 16.495 -4.469 1.00 44.32 H new ATOM 273 N TYR A 115 15.983 17.963 -5.646 1.00 31.55 N ATOM 274 CA TYR A 115 17.109 18.380 -4.819 1.00 20.41 C ATOM 275 C TYR A 115 16.992 19.854 -4.444 1.00 22.25 C ATOM 276 O TYR A 115 16.477 20.664 -5.214 1.00 55.24 O ATOM 277 CB TYR A 115 18.427 18.132 -5.555 1.00 4.22 C ATOM 278 CG TYR A 115 19.600 18.881 -4.963 1.00 23.23 C ATOM 279 CD1 TYR A 115 20.212 18.442 -3.795 1.00 5.33 C ATOM 280 CD2 TYR A 115 20.098 20.026 -5.573 1.00 5.00 C ATOM 281 CE1 TYR A 115 21.284 19.123 -3.251 1.00 11.11 C ATOM 282 CE2 TYR A 115 21.171 20.713 -5.036 1.00 74.31 C ATOM 283 CZ TYR A 115 21.760 20.257 -3.875 1.00 15.34 C ATOM 284 OH TYR A 115 22.827 20.938 -3.336 1.00 51.42 O ATOM 0 H TYR A 115 15.978 18.362 -6.585 1.00 31.55 H new ATOM 0 HA TYR A 115 17.095 17.789 -3.903 1.00 20.41 H new ATOM 0 HB2 TYR A 115 18.645 17.064 -5.543 1.00 4.22 H new ATOM 0 HB3 TYR A 115 18.311 18.422 -6.599 1.00 4.22 H new ATOM 0 HD1 TYR A 115 19.843 17.553 -3.304 1.00 5.33 H new ATOM 0 HD2 TYR A 115 19.639 20.385 -6.482 1.00 5.00 H new ATOM 0 HE1 TYR A 115 21.747 18.769 -2.342 1.00 11.11 H new ATOM 0 HE2 TYR A 115 21.546 21.601 -5.523 1.00 74.31 H new ATOM 0 HH TYR A 115 23.038 21.713 -3.898 1.00 51.42 H new ATOM 294 N CYS A 116 17.476 20.195 -3.254 1.00 24.51 N ATOM 295 CA CYS A 116 17.428 21.570 -2.773 1.00 13.01 C ATOM 296 C CYS A 116 18.822 22.067 -2.404 1.00 71.15 C ATOM 297 O CYS A 116 19.713 21.276 -2.095 1.00 70.34 O ATOM 298 CB CYS A 116 16.500 21.676 -1.561 1.00 52.21 C ATOM 299 SG CYS A 116 14.809 21.069 -1.864 1.00 13.54 S ATOM 0 H CYS A 116 17.906 19.537 -2.605 1.00 24.51 H new ATOM 0 HA CYS A 116 17.039 22.196 -3.576 1.00 13.01 H new ATOM 0 HB2 CYS A 116 16.934 21.113 -0.734 1.00 52.21 H new ATOM 0 HB3 CYS A 116 16.449 22.718 -1.246 1.00 52.21 H new ATOM 304 N ARG A 117 19.003 23.383 -2.440 1.00 45.55 N ATOM 305 CA ARG A 117 20.290 23.986 -2.111 1.00 32.14 C ATOM 306 C ARG A 117 20.180 24.854 -0.861 1.00 32.14 C ATOM 307 O ARG A 117 19.158 24.843 -0.173 1.00 63.22 O ATOM 308 CB ARG A 117 20.799 24.825 -3.284 1.00 52.12 C ATOM 309 CG ARG A 117 19.689 25.427 -4.130 1.00 54.22 C ATOM 310 CD ARG A 117 18.866 26.431 -3.338 1.00 23.42 C ATOM 311 NE ARG A 117 18.308 27.476 -4.191 1.00 12.33 N ATOM 312 CZ ARG A 117 19.015 28.501 -4.656 1.00 32.41 C ATOM 313 NH1 ARG A 117 20.300 28.616 -4.351 1.00 53.35 N ATOM 314 NH2 ARG A 117 18.436 29.412 -5.427 1.00 43.13 N ATOM 0 H ARG A 117 18.276 24.052 -2.693 1.00 45.55 H new ATOM 0 HA ARG A 117 20.999 23.182 -1.913 1.00 32.14 H new ATOM 0 HB2 ARG A 117 21.427 25.628 -2.899 1.00 52.12 H new ATOM 0 HB3 ARG A 117 21.430 24.202 -3.918 1.00 52.12 H new ATOM 0 HG2 ARG A 117 20.120 25.917 -5.003 1.00 54.22 H new ATOM 0 HG3 ARG A 117 19.040 24.633 -4.499 1.00 54.22 H new ATOM 0 HD2 ARG A 117 18.057 25.912 -2.825 1.00 23.42 H new ATOM 0 HD3 ARG A 117 19.491 26.886 -2.569 1.00 23.42 H new ATOM 0 HE ARG A 117 17.322 27.416 -4.444 1.00 12.33 H new ATOM 0 HH11 ARG A 117 20.748 27.917 -3.758 1.00 53.35 H new ATOM 0 HH12 ARG A 117 20.841 29.403 -4.709 1.00 53.35 H new ATOM 0 HH21 ARG A 117 17.447 29.326 -5.663 1.00 43.13 H new ATOM 0 HH22 ARG A 117 18.979 30.198 -5.783 1.00 43.13 H new ATOM 328 N PHE A 118 21.237 25.606 -0.573 1.00 33.33 N ATOM 329 CA PHE A 118 21.259 26.479 0.595 1.00 24.51 C ATOM 330 C PHE A 118 19.914 27.173 0.781 1.00 20.42 C ATOM 331 O PHE A 118 19.293 27.074 1.840 1.00 65.12 O ATOM 332 CB PHE A 118 22.370 27.522 0.456 1.00 10.40 C ATOM 333 CG PHE A 118 23.708 27.044 0.945 1.00 55.23 C ATOM 334 CD1 PHE A 118 24.181 25.789 0.592 1.00 55.52 C ATOM 335 CD2 PHE A 118 24.492 27.848 1.755 1.00 61.11 C ATOM 336 CE1 PHE A 118 25.410 25.347 1.040 1.00 33.13 C ATOM 337 CE2 PHE A 118 25.723 27.410 2.207 1.00 53.22 C ATOM 338 CZ PHE A 118 26.183 26.159 1.848 1.00 63.42 C ATOM 0 H PHE A 118 22.090 25.628 -1.132 1.00 33.33 H new ATOM 0 HA PHE A 118 21.454 25.865 1.474 1.00 24.51 H new ATOM 0 HB2 PHE A 118 22.457 27.810 -0.592 1.00 10.40 H new ATOM 0 HB3 PHE A 118 22.088 28.417 1.011 1.00 10.40 H new ATOM 0 HD1 PHE A 118 23.582 25.151 -0.040 1.00 55.52 H new ATOM 0 HD2 PHE A 118 24.138 28.829 2.037 1.00 61.11 H new ATOM 0 HE1 PHE A 118 25.767 24.367 0.759 1.00 33.13 H new ATOM 0 HE2 PHE A 118 26.324 28.046 2.840 1.00 53.22 H new ATOM 0 HZ PHE A 118 27.145 25.815 2.198 1.00 63.42 H new ATOM 348 N PHE A 119 19.468 27.875 -0.255 1.00 4.13 N ATOM 349 CA PHE A 119 18.197 28.588 -0.206 1.00 21.32 C ATOM 350 C PHE A 119 17.089 27.685 0.329 1.00 2.42 C ATOM 351 O PHE A 119 16.318 28.083 1.203 1.00 75.34 O ATOM 352 CB PHE A 119 17.823 29.103 -1.598 1.00 1.22 C ATOM 353 CG PHE A 119 17.103 30.421 -1.574 1.00 44.44 C ATOM 354 CD1 PHE A 119 17.659 31.518 -0.935 1.00 22.44 C ATOM 355 CD2 PHE A 119 15.873 30.565 -2.194 1.00 21.31 C ATOM 356 CE1 PHE A 119 16.998 32.731 -0.912 1.00 43.22 C ATOM 357 CE2 PHE A 119 15.207 31.776 -2.174 1.00 63.51 C ATOM 358 CZ PHE A 119 15.772 32.861 -1.533 1.00 63.22 C ATOM 0 H PHE A 119 19.968 27.966 -1.139 1.00 4.13 H new ATOM 0 HA PHE A 119 18.309 29.436 0.469 1.00 21.32 H new ATOM 0 HB2 PHE A 119 18.729 29.203 -2.195 1.00 1.22 H new ATOM 0 HB3 PHE A 119 17.195 28.363 -2.094 1.00 1.22 H new ATOM 0 HD1 PHE A 119 18.619 31.424 -0.450 1.00 22.44 H new ATOM 0 HD2 PHE A 119 15.429 29.720 -2.700 1.00 21.31 H new ATOM 0 HE1 PHE A 119 17.441 33.578 -0.408 1.00 43.22 H new ATOM 0 HE2 PHE A 119 14.247 31.874 -2.659 1.00 63.51 H new ATOM 0 HZ PHE A 119 15.256 33.809 -1.518 1.00 63.22 H new ATOM 368 N ARG A 120 17.016 26.469 -0.203 1.00 13.34 N ATOM 369 CA ARG A 120 16.001 25.512 0.220 1.00 72.45 C ATOM 370 C ARG A 120 14.602 26.013 -0.125 1.00 51.42 C ATOM 371 O ARG A 120 13.605 25.505 0.387 1.00 70.30 O ATOM 372 CB ARG A 120 16.105 25.254 1.724 1.00 51.40 C ATOM 373 CG ARG A 120 16.701 23.900 2.071 1.00 74.03 C ATOM 374 CD ARG A 120 15.649 22.803 2.036 1.00 14.20 C ATOM 375 NE ARG A 120 16.206 21.498 2.378 1.00 5.12 N ATOM 376 CZ ARG A 120 15.496 20.376 2.395 1.00 54.31 C ATOM 377 NH1 ARG A 120 14.205 20.401 2.090 1.00 33.12 N ATOM 378 NH2 ARG A 120 16.074 19.227 2.717 1.00 21.31 N ATOM 0 H ARG A 120 17.647 26.124 -0.927 1.00 13.34 H new ATOM 0 HA ARG A 120 16.176 24.578 -0.314 1.00 72.45 H new ATOM 0 HB2 ARG A 120 16.714 26.036 2.177 1.00 51.40 H new ATOM 0 HB3 ARG A 120 15.111 25.328 2.166 1.00 51.40 H new ATOM 0 HG2 ARG A 120 17.500 23.662 1.369 1.00 74.03 H new ATOM 0 HG3 ARG A 120 17.151 23.943 3.063 1.00 74.03 H new ATOM 0 HD2 ARG A 120 14.847 23.048 2.732 1.00 14.20 H new ATOM 0 HD3 ARG A 120 15.205 22.758 1.041 1.00 14.20 H new ATOM 0 HE ARG A 120 17.196 21.445 2.617 1.00 5.12 H new ATOM 0 HH11 ARG A 120 13.757 21.283 1.842 1.00 33.12 H new ATOM 0 HH12 ARG A 120 13.661 19.538 2.103 1.00 33.12 H new ATOM 0 HH21 ARG A 120 17.066 19.204 2.952 1.00 21.31 H new ATOM 0 HH22 ARG A 120 15.526 18.367 2.729 1.00 21.31 H new ATOM 392 N SER A 121 14.537 27.016 -0.996 1.00 75.55 N ATOM 393 CA SER A 121 13.260 27.589 -1.407 1.00 11.40 C ATOM 394 C SER A 121 13.101 27.534 -2.924 1.00 3.23 C ATOM 395 O SER A 121 12.046 27.868 -3.460 1.00 61.24 O ATOM 396 CB SER A 121 13.150 29.037 -0.924 1.00 13.34 C ATOM 397 OG SER A 121 12.259 29.142 0.174 1.00 70.40 O ATOM 0 H SER A 121 15.353 27.448 -1.430 1.00 75.55 H new ATOM 0 HA SER A 121 12.463 26.999 -0.955 1.00 11.40 H new ATOM 0 HB2 SER A 121 14.135 29.403 -0.633 1.00 13.34 H new ATOM 0 HB3 SER A 121 12.803 29.671 -1.740 1.00 13.34 H new ATOM 0 HG SER A 121 12.207 30.076 0.465 1.00 70.40 H new ATOM 403 N ALA A 122 14.159 27.109 -3.607 1.00 33.22 N ATOM 404 CA ALA A 122 14.138 27.007 -5.061 1.00 52.43 C ATOM 405 C ALA A 122 14.714 25.674 -5.526 1.00 61.34 C ATOM 406 O ALA A 122 15.682 25.635 -6.286 1.00 10.51 O ATOM 407 CB ALA A 122 14.909 28.162 -5.682 1.00 53.52 C ATOM 0 H ALA A 122 15.041 26.830 -3.177 1.00 33.22 H new ATOM 0 HA ALA A 122 13.100 27.059 -5.389 1.00 52.43 H new ATOM 0 HB1 ALA A 122 14.885 28.073 -6.768 1.00 53.52 H new ATOM 0 HB2 ALA A 122 14.452 29.106 -5.385 1.00 53.52 H new ATOM 0 HB3 ALA A 122 15.943 28.136 -5.338 1.00 53.52 H new ATOM 413 N CYS A 123 14.113 24.582 -5.066 1.00 12.13 N ATOM 414 CA CYS A 123 14.567 23.246 -5.433 1.00 51.41 C ATOM 415 C CYS A 123 14.346 22.987 -6.921 1.00 33.44 C ATOM 416 O CYS A 123 13.523 23.642 -7.560 1.00 73.31 O ATOM 417 CB CYS A 123 13.832 22.190 -4.606 1.00 25.12 C ATOM 418 SG CYS A 123 13.823 22.522 -2.815 1.00 5.44 S ATOM 0 H CYS A 123 13.310 24.596 -4.438 1.00 12.13 H new ATOM 0 HA CYS A 123 15.635 23.182 -5.225 1.00 51.41 H new ATOM 0 HB2 CYS A 123 12.802 22.121 -4.957 1.00 25.12 H new ATOM 0 HB3 CYS A 123 14.295 21.219 -4.782 1.00 25.12 H new ATOM 423 N TYR A 124 15.086 22.028 -7.464 1.00 64.34 N ATOM 424 CA TYR A 124 14.975 21.683 -8.876 1.00 54.32 C ATOM 425 C TYR A 124 15.224 20.194 -9.095 1.00 72.13 C ATOM 426 O TYR A 124 15.767 19.509 -8.228 1.00 2.11 O ATOM 427 CB TYR A 124 15.964 22.505 -9.704 1.00 23.31 C ATOM 428 CG TYR A 124 17.193 22.930 -8.932 1.00 72.44 C ATOM 429 CD1 TYR A 124 18.248 22.049 -8.729 1.00 42.40 C ATOM 430 CD2 TYR A 124 17.299 24.212 -8.407 1.00 73.24 C ATOM 431 CE1 TYR A 124 19.372 22.433 -8.023 1.00 70.54 C ATOM 432 CE2 TYR A 124 18.419 24.604 -7.702 1.00 44.02 C ATOM 433 CZ TYR A 124 19.454 23.711 -7.512 1.00 72.13 C ATOM 434 OH TYR A 124 20.573 24.097 -6.811 1.00 12.32 O ATOM 0 H TYR A 124 15.770 21.475 -6.948 1.00 64.34 H new ATOM 0 HA TYR A 124 13.961 21.914 -9.201 1.00 54.32 H new ATOM 0 HB2 TYR A 124 16.273 21.921 -10.570 1.00 23.31 H new ATOM 0 HB3 TYR A 124 15.458 23.393 -10.083 1.00 23.31 H new ATOM 0 HD1 TYR A 124 18.189 21.048 -9.130 1.00 42.40 H new ATOM 0 HD2 TYR A 124 16.491 24.914 -8.553 1.00 73.24 H new ATOM 0 HE1 TYR A 124 20.183 21.735 -7.872 1.00 70.54 H new ATOM 0 HE2 TYR A 124 18.485 25.605 -7.301 1.00 44.02 H new ATOM 0 HH TYR A 124 20.718 25.059 -6.930 1.00 12.32 H new ATOM 444 N CYS A 125 14.824 19.699 -10.262 1.00 42.32 N ATOM 445 CA CYS A 125 15.003 18.292 -10.597 1.00 73.12 C ATOM 446 C CYS A 125 16.473 17.980 -10.865 1.00 60.41 C ATOM 447 O CYS A 125 16.968 18.177 -11.974 1.00 40.33 O ATOM 448 CB CYS A 125 14.162 17.927 -11.822 1.00 21.31 C ATOM 449 SG CYS A 125 12.494 17.313 -11.422 1.00 33.23 S ATOM 0 H CYS A 125 14.374 20.252 -10.991 1.00 42.32 H new ATOM 0 HA CYS A 125 14.672 17.696 -9.746 1.00 73.12 H new ATOM 0 HB2 CYS A 125 14.071 18.805 -12.462 1.00 21.31 H new ATOM 0 HB3 CYS A 125 14.689 17.166 -12.398 1.00 21.31 H new ATOM 454 N ARG A 126 17.163 17.490 -9.841 1.00 24.11 N ATOM 455 CA ARG A 126 18.576 17.152 -9.964 1.00 60.20 C ATOM 456 C ARG A 126 18.783 15.641 -9.884 1.00 15.21 C ATOM 457 O ARG A 126 18.222 14.974 -9.015 1.00 62.53 O ATOM 458 CB ARG A 126 19.387 17.846 -8.868 1.00 41.24 C ATOM 459 CG ARG A 126 20.888 17.818 -9.111 1.00 53.12 C ATOM 460 CD ARG A 126 21.349 19.040 -9.891 1.00 73.40 C ATOM 461 NE ARG A 126 22.573 19.613 -9.338 1.00 33.23 N ATOM 462 CZ ARG A 126 23.385 20.412 -10.021 1.00 70.30 C ATOM 463 NH1 ARG A 126 23.104 20.730 -11.277 1.00 61.04 N ATOM 464 NH2 ARG A 126 24.480 20.893 -9.448 1.00 54.31 N ATOM 0 H ARG A 126 16.767 17.318 -8.917 1.00 24.11 H new ATOM 0 HA ARG A 126 18.922 17.499 -10.938 1.00 60.20 H new ATOM 0 HB2 ARG A 126 19.060 18.883 -8.787 1.00 41.24 H new ATOM 0 HB3 ARG A 126 19.173 17.368 -7.912 1.00 41.24 H new ATOM 0 HG2 ARG A 126 21.412 17.776 -8.156 1.00 53.12 H new ATOM 0 HG3 ARG A 126 21.152 16.914 -9.660 1.00 53.12 H new ATOM 0 HD2 ARG A 126 21.516 18.764 -10.932 1.00 73.40 H new ATOM 0 HD3 ARG A 126 20.561 19.793 -9.884 1.00 73.40 H new ATOM 0 HE ARG A 126 22.818 19.387 -8.374 1.00 33.23 H new ATOM 0 HH11 ARG A 126 22.263 20.361 -11.721 1.00 61.04 H new ATOM 0 HH12 ARG A 126 23.729 21.344 -11.800 1.00 61.04 H new ATOM 0 HH21 ARG A 126 24.699 20.649 -8.482 1.00 54.31 H new ATOM 0 HH22 ARG A 126 25.103 21.506 -9.973 1.00 54.31 H new ATOM 478 N VAL A 127 19.590 15.110 -10.796 1.00 55.44 N ATOM 479 CA VAL A 127 19.870 13.680 -10.829 1.00 50.02 C ATOM 480 C VAL A 127 21.002 13.320 -9.873 1.00 75.41 C ATOM 481 O VAL A 127 22.155 13.690 -10.092 1.00 42.21 O ATOM 482 CB VAL A 127 20.244 13.213 -12.249 1.00 41.12 C ATOM 483 CG1 VAL A 127 19.026 13.245 -13.160 1.00 22.32 C ATOM 484 CG2 VAL A 127 21.365 14.073 -12.813 1.00 54.41 C ATOM 0 H VAL A 127 20.062 15.649 -11.522 1.00 55.44 H new ATOM 0 HA VAL A 127 18.958 13.172 -10.516 1.00 50.02 H new ATOM 0 HB VAL A 127 20.599 12.184 -12.193 1.00 41.12 H new ATOM 0 HG11 VAL A 127 19.310 12.912 -14.158 1.00 22.32 H new ATOM 0 HG12 VAL A 127 18.256 12.584 -12.762 1.00 22.32 H new ATOM 0 HG13 VAL A 127 18.638 14.262 -13.213 1.00 22.32 H new ATOM 0 HG21 VAL A 127 21.617 13.730 -13.816 1.00 54.41 H new ATOM 0 HG22 VAL A 127 21.040 15.112 -12.856 1.00 54.41 H new ATOM 0 HG23 VAL A 127 22.242 13.994 -12.171 1.00 54.41 H new ATOM 494 N LEU A 128 20.663 12.595 -8.812 1.00 44.12 N ATOM 495 CA LEU A 128 21.652 12.183 -7.820 1.00 54.04 C ATOM 496 C LEU A 128 22.026 10.715 -8.002 1.00 55.21 C ATOM 497 O LEU A 128 22.456 10.053 -7.057 1.00 61.05 O ATOM 498 CB LEU A 128 21.112 12.414 -6.408 1.00 33.32 C ATOM 499 CG LEU A 128 20.604 13.823 -6.104 1.00 45.33 C ATOM 500 CD1 LEU A 128 19.332 13.766 -5.275 1.00 3.43 C ATOM 501 CD2 LEU A 128 21.676 14.633 -5.387 1.00 33.34 C ATOM 0 H LEU A 128 19.713 12.281 -8.616 1.00 44.12 H new ATOM 0 HA LEU A 128 22.548 12.787 -7.962 1.00 54.04 H new ATOM 0 HB2 LEU A 128 20.298 11.711 -6.233 1.00 33.32 H new ATOM 0 HB3 LEU A 128 21.901 12.173 -5.695 1.00 33.32 H new ATOM 0 HG LEU A 128 20.374 14.317 -7.048 1.00 45.33 H new ATOM 0 HD11 LEU A 128 18.986 14.779 -5.069 1.00 3.43 H new ATOM 0 HD12 LEU A 128 18.563 13.225 -5.826 1.00 3.43 H new ATOM 0 HD13 LEU A 128 19.533 13.253 -4.334 1.00 3.43 H new ATOM 0 HD21 LEU A 128 21.297 15.634 -5.178 1.00 33.34 H new ATOM 0 HD22 LEU A 128 21.938 14.141 -4.450 1.00 33.34 H new ATOM 0 HD23 LEU A 128 22.561 14.705 -6.019 1.00 33.34 H new ATOM 513 N SER A 129 21.859 10.214 -9.222 1.00 24.33 N ATOM 514 CA SER A 129 22.178 8.824 -9.527 1.00 12.22 C ATOM 515 C SER A 129 23.512 8.721 -10.260 1.00 11.23 C ATOM 516 O SER A 129 24.297 7.803 -10.018 1.00 25.43 O ATOM 517 CB SER A 129 21.068 8.199 -10.373 1.00 73.42 C ATOM 518 OG SER A 129 19.788 8.562 -9.885 1.00 75.53 O ATOM 0 H SER A 129 21.505 10.749 -10.015 1.00 24.33 H new ATOM 0 HA SER A 129 22.258 8.280 -8.586 1.00 12.22 H new ATOM 0 HB2 SER A 129 21.171 8.522 -11.409 1.00 73.42 H new ATOM 0 HB3 SER A 129 21.169 7.114 -10.366 1.00 73.42 H new ATOM 0 HG SER A 129 19.096 8.151 -10.444 1.00 75.53 H new ATOM 524 N LEU A 130 23.762 9.668 -11.156 1.00 55.34 N ATOM 525 CA LEU A 130 25.000 9.686 -11.927 1.00 30.41 C ATOM 526 C LEU A 130 25.146 8.411 -12.752 1.00 52.22 C ATOM 527 O LEU A 130 26.257 8.004 -13.091 1.00 74.53 O ATOM 528 CB LEU A 130 26.202 9.842 -10.993 1.00 64.12 C ATOM 529 CG LEU A 130 26.105 10.962 -9.956 1.00 51.11 C ATOM 530 CD1 LEU A 130 27.095 10.730 -8.826 1.00 4.22 C ATOM 531 CD2 LEU A 130 26.346 12.316 -10.610 1.00 25.43 C ATOM 0 H LEU A 130 23.123 10.435 -11.367 1.00 55.34 H new ATOM 0 HA LEU A 130 24.963 10.536 -12.608 1.00 30.41 H new ATOM 0 HB2 LEU A 130 26.353 8.899 -10.467 1.00 64.12 H new ATOM 0 HB3 LEU A 130 27.090 10.013 -11.602 1.00 64.12 H new ATOM 0 HG LEU A 130 25.099 10.957 -9.536 1.00 51.11 H new ATOM 0 HD11 LEU A 130 27.012 11.537 -8.098 1.00 4.22 H new ATOM 0 HD12 LEU A 130 26.877 9.779 -8.340 1.00 4.22 H new ATOM 0 HD13 LEU A 130 28.108 10.708 -9.228 1.00 4.22 H new ATOM 0 HD21 LEU A 130 26.273 13.101 -9.858 1.00 25.43 H new ATOM 0 HD22 LEU A 130 27.340 12.332 -11.057 1.00 25.43 H new ATOM 0 HD23 LEU A 130 25.597 12.485 -11.384 1.00 25.43 H new ATOM 543 N ASN A 131 24.017 7.789 -13.074 1.00 22.15 N ATOM 544 CA ASN A 131 24.020 6.561 -13.862 1.00 34.03 C ATOM 545 C ASN A 131 23.206 6.734 -15.141 1.00 42.40 C ATOM 546 O ASN A 131 23.545 6.177 -16.185 1.00 52.21 O ATOM 547 CB ASN A 131 23.455 5.401 -13.038 1.00 42.42 C ATOM 548 CG ASN A 131 23.834 4.048 -13.611 1.00 2.35 C ATOM 549 OD1 ASN A 131 24.679 3.954 -14.500 1.00 70.53 O ATOM 550 ND2 ASN A 131 23.207 2.995 -13.101 1.00 23.24 N ATOM 0 H ASN A 131 23.089 8.114 -12.802 1.00 22.15 H new ATOM 0 HA ASN A 131 25.051 6.336 -14.136 1.00 34.03 H new ATOM 0 HB2 ASN A 131 23.820 5.474 -12.014 1.00 42.42 H new ATOM 0 HB3 ASN A 131 22.369 5.484 -12.996 1.00 42.42 H new ATOM 0 HD21 ASN A 131 23.419 2.059 -13.446 1.00 23.24 H new ATOM 0 HD22 ASN A 131 22.513 3.122 -12.364 1.00 23.24 H new ATOM 557 N CYS A 132 22.131 7.512 -15.051 1.00 22.42 N ATOM 558 CA CYS A 132 21.269 7.760 -16.200 1.00 62.43 C ATOM 559 C CYS A 132 21.878 8.813 -17.121 1.00 2.42 C ATOM 560 O CYS A 132 22.856 9.470 -16.764 1.00 40.34 O ATOM 561 CB CYS A 132 19.883 8.212 -15.736 1.00 20.24 C ATOM 562 SG CYS A 132 19.117 7.112 -14.501 1.00 41.42 S ATOM 0 H CYS A 132 21.837 7.981 -14.194 1.00 22.42 H new ATOM 0 HA CYS A 132 21.172 6.828 -16.757 1.00 62.43 H new ATOM 0 HB2 CYS A 132 19.961 9.214 -15.315 1.00 20.24 H new ATOM 0 HB3 CYS A 132 19.226 8.281 -16.603 1.00 20.24 H new TER 567 CYS A 132