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 Set 1.1: A 99 SER OG : rot 53:sc= 0.683 USER MOD Set 1.2: A 101 LYS NZ :NH3+ -131:sc= 0.344 (180deg=0) USER MOD Single : A 96 THR OG1 : rot -38:sc= 0.108! USER MOD Single : A 98 ASN : amide:sc= -0.0137 K(o=-0.014,f=-1.1) 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= 0.801 USER MOD Single : A 131 ASN : amide:sc= -0.114 K(o=-0.11,f=-1.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 93 8.869 20.249 -20.218 1.00 31.34 N ATOM 2 CA CYS A 93 9.099 20.088 -18.787 1.00 4.41 C ATOM 3 C CYS A 93 10.495 20.574 -18.404 1.00 13.01 C ATOM 4 O CYS A 93 11.251 21.053 -19.248 1.00 44.23 O ATOM 5 CB CYS A 93 8.928 18.623 -18.383 1.00 12.34 C ATOM 6 SG CYS A 93 9.773 17.444 -19.484 1.00 25.45 S ATOM 0 HA CYS A 93 8.364 20.692 -18.255 1.00 4.41 H new ATOM 0 HB2 CYS A 93 9.305 18.491 -17.369 1.00 12.34 H new ATOM 0 HB3 CYS A 93 7.865 18.385 -18.361 1.00 12.34 H new ATOM 11 N VAL A 94 10.828 20.445 -17.123 1.00 43.44 N ATOM 12 CA VAL A 94 12.132 20.870 -16.627 1.00 25.23 C ATOM 13 C VAL A 94 13.212 19.853 -16.982 1.00 10.34 C ATOM 14 O VAL A 94 13.149 18.696 -16.570 1.00 52.02 O ATOM 15 CB VAL A 94 12.113 21.070 -15.099 1.00 70.15 C ATOM 16 CG1 VAL A 94 13.492 20.816 -14.511 1.00 1.23 C ATOM 17 CG2 VAL A 94 11.625 22.468 -14.752 1.00 51.22 C ATOM 0 H VAL A 94 10.214 20.050 -16.411 1.00 43.44 H new ATOM 0 HA VAL A 94 12.360 21.821 -17.108 1.00 25.23 H new ATOM 0 HB VAL A 94 11.421 20.350 -14.663 1.00 70.15 H new ATOM 0 HG11 VAL A 94 13.460 20.962 -13.431 1.00 1.23 H new ATOM 0 HG12 VAL A 94 13.798 19.793 -14.730 1.00 1.23 H new ATOM 0 HG13 VAL A 94 14.208 21.511 -14.950 1.00 1.23 H new ATOM 0 HG21 VAL A 94 11.618 22.592 -13.669 1.00 51.22 H new ATOM 0 HG22 VAL A 94 12.291 23.207 -15.198 1.00 51.22 H new ATOM 0 HG23 VAL A 94 10.616 22.608 -15.140 1.00 51.22 H new ATOM 27 N ALA A 95 14.204 20.296 -17.748 1.00 54.14 N ATOM 28 CA ALA A 95 15.299 19.426 -18.158 1.00 23.11 C ATOM 29 C ALA A 95 16.068 18.907 -16.947 1.00 62.15 C ATOM 30 O ALA A 95 15.983 17.728 -16.602 1.00 15.41 O ATOM 31 CB ALA A 95 16.235 20.164 -19.104 1.00 13.34 C ATOM 0 H ALA A 95 14.271 21.252 -18.097 1.00 54.14 H new ATOM 0 HA ALA A 95 14.874 18.570 -18.682 1.00 23.11 H new ATOM 0 HB1 ALA A 95 17.048 19.502 -19.402 1.00 13.34 H new ATOM 0 HB2 ALA A 95 15.683 20.481 -19.989 1.00 13.34 H new ATOM 0 HB3 ALA A 95 16.646 21.039 -18.600 1.00 13.34 H new ATOM 37 N THR A 96 16.823 19.794 -16.307 1.00 5.34 N ATOM 38 CA THR A 96 17.610 19.426 -15.136 1.00 62.14 C ATOM 39 C THR A 96 18.028 20.659 -14.345 1.00 4.42 C ATOM 40 O THR A 96 18.258 21.725 -14.915 1.00 42.40 O ATOM 41 CB THR A 96 18.869 18.633 -15.534 1.00 43.10 C ATOM 42 OG1 THR A 96 18.567 17.741 -16.612 1.00 55.05 O ATOM 43 CG2 THR A 96 19.406 17.842 -14.350 1.00 71.02 C ATOM 0 H THR A 96 16.906 20.773 -16.580 1.00 5.34 H new ATOM 0 HA THR A 96 16.975 18.797 -14.512 1.00 62.14 H new ATOM 0 HB THR A 96 19.632 19.342 -15.854 1.00 43.10 H new ATOM 0 HG1 THR A 96 17.670 17.368 -16.486 1.00 55.05 H new ATOM 0 HG21 THR A 96 20.295 17.290 -14.654 1.00 71.02 H new ATOM 0 HG22 THR A 96 19.663 18.527 -13.542 1.00 71.02 H new ATOM 0 HG23 THR A 96 18.645 17.142 -14.005 1.00 71.02 H new ATOM 51 N ARG A 97 18.126 20.507 -13.029 1.00 23.44 N ATOM 52 CA ARG A 97 18.517 21.609 -12.158 1.00 34.25 C ATOM 53 C ARG A 97 17.895 22.920 -12.629 1.00 32.42 C ATOM 54 O ARG A 97 18.546 23.964 -12.624 1.00 62.33 O ATOM 55 CB ARG A 97 20.041 21.740 -12.118 1.00 31.14 C ATOM 56 CG ARG A 97 20.646 22.210 -13.430 1.00 50.22 C ATOM 57 CD ARG A 97 21.091 21.037 -14.291 1.00 3.35 C ATOM 58 NE ARG A 97 21.022 21.347 -15.716 1.00 70.04 N ATOM 59 CZ ARG A 97 21.696 20.681 -16.646 1.00 64.42 C ATOM 60 NH1 ARG A 97 22.486 19.673 -16.303 1.00 23.32 N ATOM 61 NH2 ARG A 97 21.582 21.022 -17.924 1.00 14.43 N ATOM 0 H ARG A 97 17.940 19.630 -12.542 1.00 23.44 H new ATOM 0 HA ARG A 97 18.152 21.393 -11.154 1.00 34.25 H new ATOM 0 HB2 ARG A 97 20.316 22.440 -11.329 1.00 31.14 H new ATOM 0 HB3 ARG A 97 20.473 20.775 -11.853 1.00 31.14 H new ATOM 0 HG2 ARG A 97 19.915 22.807 -13.976 1.00 50.22 H new ATOM 0 HG3 ARG A 97 21.499 22.858 -13.227 1.00 50.22 H new ATOM 0 HD2 ARG A 97 22.113 20.762 -14.029 1.00 3.35 H new ATOM 0 HD3 ARG A 97 20.463 20.172 -14.077 1.00 3.35 H new ATOM 0 HE ARG A 97 20.423 22.117 -16.013 1.00 70.04 H new ATOM 0 HH11 ARG A 97 22.577 19.407 -15.322 1.00 23.32 H new ATOM 0 HH12 ARG A 97 23.003 19.163 -17.020 1.00 23.32 H new ATOM 0 HH21 ARG A 97 20.976 21.797 -18.193 1.00 14.43 H new ATOM 0 HH22 ARG A 97 22.101 20.509 -18.637 1.00 14.43 H new ATOM 75 N ASN A 98 16.632 22.857 -13.035 1.00 54.24 N ATOM 76 CA ASN A 98 15.922 24.040 -13.511 1.00 71.12 C ATOM 77 C ASN A 98 14.910 24.520 -12.476 1.00 22.24 C ATOM 78 O ASN A 98 14.979 25.656 -12.007 1.00 14.31 O ATOM 79 CB ASN A 98 15.211 23.737 -14.832 1.00 21.42 C ATOM 80 CG ASN A 98 15.018 24.978 -15.682 1.00 62.55 C ATOM 81 OD1 ASN A 98 15.183 26.101 -15.207 1.00 55.11 O ATOM 82 ND2 ASN A 98 14.667 24.779 -16.948 1.00 71.51 N ATOM 0 H ASN A 98 16.078 22.000 -13.044 1.00 54.24 H new ATOM 0 HA ASN A 98 16.654 24.831 -13.673 1.00 71.12 H new ATOM 0 HB2 ASN A 98 15.789 23.002 -15.392 1.00 21.42 H new ATOM 0 HB3 ASN A 98 14.240 23.288 -14.624 1.00 21.42 H new ATOM 0 HD21 ASN A 98 14.523 25.576 -17.569 1.00 71.51 H new ATOM 0 HD22 ASN A 98 14.541 23.830 -17.299 1.00 71.51 H new ATOM 89 N SER A 99 13.973 23.646 -12.122 1.00 4.33 N ATOM 90 CA SER A 99 12.945 23.982 -11.144 1.00 52.10 C ATOM 91 C SER A 99 12.131 22.749 -10.767 1.00 74.41 C ATOM 92 O SER A 99 11.838 21.901 -11.611 1.00 1.41 O ATOM 93 CB SER A 99 12.020 25.069 -11.696 1.00 51.15 C ATOM 94 OG SER A 99 12.301 26.326 -11.107 1.00 20.13 O ATOM 0 H SER A 99 13.905 22.700 -12.498 1.00 4.33 H new ATOM 0 HA SER A 99 13.440 24.357 -10.248 1.00 52.10 H new ATOM 0 HB2 SER A 99 12.138 25.136 -12.777 1.00 51.15 H new ATOM 0 HB3 SER A 99 10.982 24.799 -11.505 1.00 51.15 H new ATOM 0 HG SER A 99 13.256 26.525 -11.201 1.00 20.13 H new ATOM 100 N CYS A 100 11.767 22.655 -9.492 1.00 13.32 N ATOM 101 CA CYS A 100 10.987 21.526 -9.000 1.00 71.44 C ATOM 102 C CYS A 100 9.492 21.777 -9.182 1.00 1.14 C ATOM 103 O CYS A 100 8.909 21.408 -10.202 1.00 21.24 O ATOM 104 CB CYS A 100 11.296 21.270 -7.523 1.00 60.24 C ATOM 105 SG CYS A 100 12.598 20.029 -7.241 1.00 61.44 S ATOM 0 H CYS A 100 12.000 23.348 -8.781 1.00 13.32 H new ATOM 0 HA CYS A 100 11.263 20.646 -9.580 1.00 71.44 H new ATOM 0 HB2 CYS A 100 11.597 22.209 -7.058 1.00 60.24 H new ATOM 0 HB3 CYS A 100 10.384 20.944 -7.023 1.00 60.24 H new ATOM 110 N LYS A 101 8.879 22.408 -8.187 1.00 32.13 N ATOM 111 CA LYS A 101 7.453 22.711 -8.235 1.00 73.12 C ATOM 112 C LYS A 101 6.720 21.731 -9.145 1.00 73.44 C ATOM 113 O LYS A 101 6.152 22.105 -10.173 1.00 12.55 O ATOM 114 CB LYS A 101 7.232 24.143 -8.727 1.00 32.22 C ATOM 115 CG LYS A 101 8.506 24.834 -9.180 1.00 31.33 C ATOM 116 CD LYS A 101 9.319 25.335 -7.999 1.00 44.22 C ATOM 117 CE LYS A 101 10.783 25.522 -8.369 1.00 14.32 C ATOM 118 NZ LYS A 101 11.157 26.961 -8.442 1.00 42.20 N ATOM 0 H LYS A 101 9.347 22.720 -7.336 1.00 32.13 H new ATOM 0 HA LYS A 101 7.051 22.614 -7.226 1.00 73.12 H new ATOM 0 HB2 LYS A 101 6.523 24.128 -9.554 1.00 32.22 H new ATOM 0 HB3 LYS A 101 6.777 24.727 -7.927 1.00 32.22 H new ATOM 0 HG2 LYS A 101 9.107 24.141 -9.769 1.00 31.33 H new ATOM 0 HG3 LYS A 101 8.255 25.671 -9.831 1.00 31.33 H new ATOM 0 HD2 LYS A 101 8.908 26.281 -7.648 1.00 44.22 H new ATOM 0 HD3 LYS A 101 9.239 24.627 -7.174 1.00 44.22 H new ATOM 0 HE2 LYS A 101 11.411 25.021 -7.632 1.00 14.32 H new ATOM 0 HE3 LYS A 101 10.978 25.047 -9.330 1.00 14.32 H new ATOM 0 HZ1 LYS A 101 11.664 27.143 -9.332 1.00 42.20 H new ATOM 0 HZ2 LYS A 101 10.297 27.545 -8.407 1.00 42.20 H new ATOM 0 HZ3 LYS A 101 11.772 27.201 -7.638 1.00 42.20 H new ATOM 132 N PRO A 102 6.728 20.446 -8.763 1.00 23.44 N ATOM 133 CA PRO A 102 6.066 19.386 -9.530 1.00 65.01 C ATOM 134 C PRO A 102 4.546 19.493 -9.474 1.00 45.14 C ATOM 135 O PRO A 102 3.883 18.703 -8.804 1.00 42.24 O ATOM 136 CB PRO A 102 6.537 18.103 -8.841 1.00 23.34 C ATOM 137 CG PRO A 102 6.869 18.519 -7.450 1.00 1.20 C ATOM 138 CD PRO A 102 7.385 19.927 -7.551 1.00 1.40 C ATOM 0 HA PRO A 102 6.315 19.433 -10.590 1.00 65.01 H new ATOM 0 HB2 PRO A 102 5.759 17.340 -8.851 1.00 23.34 H new ATOM 0 HB3 PRO A 102 7.405 17.679 -9.345 1.00 23.34 H new ATOM 0 HG2 PRO A 102 5.990 18.471 -6.808 1.00 1.20 H new ATOM 0 HG3 PRO A 102 7.619 17.859 -7.014 1.00 1.20 H new ATOM 0 HD2 PRO A 102 7.125 20.514 -6.670 1.00 1.40 H new ATOM 0 HD3 PRO A 102 8.471 19.951 -7.641 1.00 1.40 H new ATOM 146 N ALA A 103 4.001 20.477 -10.183 1.00 64.24 N ATOM 147 CA ALA A 103 2.559 20.686 -10.217 1.00 62.44 C ATOM 148 C ALA A 103 2.103 21.149 -11.596 1.00 21.11 C ATOM 149 O ALA A 103 1.096 20.675 -12.119 1.00 34.00 O ATOM 150 CB ALA A 103 2.148 21.695 -9.156 1.00 21.23 C ATOM 0 H ALA A 103 4.537 21.142 -10.741 1.00 64.24 H new ATOM 0 HA ALA A 103 2.073 19.734 -10.005 1.00 62.44 H new ATOM 0 HB1 ALA A 103 1.069 21.842 -9.192 1.00 21.23 H new ATOM 0 HB2 ALA A 103 2.431 21.323 -8.171 1.00 21.23 H new ATOM 0 HB3 ALA A 103 2.650 22.644 -9.343 1.00 21.23 H new ATOM 156 N ALA A 104 2.852 22.079 -12.180 1.00 4.31 N ATOM 157 CA ALA A 104 2.526 22.606 -13.499 1.00 52.41 C ATOM 158 C ALA A 104 3.107 21.727 -14.601 1.00 64.30 C ATOM 159 O ALA A 104 3.020 22.058 -15.783 1.00 45.11 O ATOM 160 CB ALA A 104 3.032 24.034 -13.637 1.00 74.20 C ATOM 0 H ALA A 104 3.689 22.483 -11.760 1.00 4.31 H new ATOM 0 HA ALA A 104 1.441 22.605 -13.605 1.00 52.41 H new ATOM 0 HB1 ALA A 104 2.781 24.415 -14.627 1.00 74.20 H new ATOM 0 HB2 ALA A 104 2.564 24.661 -12.878 1.00 74.20 H new ATOM 0 HB3 ALA A 104 4.114 24.051 -13.505 1.00 74.20 H new ATOM 166 N ALA A 105 3.702 20.606 -14.205 1.00 51.22 N ATOM 167 CA ALA A 105 4.297 19.680 -15.160 1.00 22.33 C ATOM 168 C ALA A 105 5.674 20.160 -15.606 1.00 4.03 C ATOM 169 O ALA A 105 5.922 20.342 -16.797 1.00 65.51 O ATOM 170 CB ALA A 105 3.383 19.502 -16.363 1.00 22.44 C ATOM 0 H ALA A 105 3.784 20.318 -13.230 1.00 51.22 H new ATOM 0 HA ALA A 105 4.420 18.717 -14.665 1.00 22.33 H new ATOM 0 HB1 ALA A 105 3.840 18.808 -17.068 1.00 22.44 H new ATOM 0 HB2 ALA A 105 2.422 19.105 -16.035 1.00 22.44 H new ATOM 0 HB3 ALA A 105 3.230 20.465 -16.850 1.00 22.44 H new ATOM 176 N ALA A 106 6.566 20.364 -14.642 1.00 10.14 N ATOM 177 CA ALA A 106 7.917 20.822 -14.935 1.00 44.24 C ATOM 178 C ALA A 106 8.944 20.086 -14.082 1.00 22.02 C ATOM 179 O ALA A 106 9.641 20.693 -13.267 1.00 53.41 O ATOM 180 CB ALA A 106 8.026 22.324 -14.715 1.00 40.13 C ATOM 0 H ALA A 106 6.376 20.219 -13.650 1.00 10.14 H new ATOM 0 HA ALA A 106 8.128 20.603 -15.982 1.00 44.24 H new ATOM 0 HB1 ALA A 106 9.041 22.652 -14.938 1.00 40.13 H new ATOM 0 HB2 ALA A 106 7.326 22.840 -15.372 1.00 40.13 H new ATOM 0 HB3 ALA A 106 7.789 22.558 -13.677 1.00 40.13 H new ATOM 186 N CYS A 107 9.034 18.774 -14.272 1.00 32.00 N ATOM 187 CA CYS A 107 9.974 17.953 -13.519 1.00 1.20 C ATOM 188 C CYS A 107 9.991 16.521 -14.046 1.00 14.20 C ATOM 189 O CYS A 107 10.151 15.569 -13.282 1.00 74.42 O ATOM 190 CB CYS A 107 9.611 17.957 -12.032 1.00 41.04 C ATOM 191 SG CYS A 107 11.029 18.222 -10.921 1.00 2.14 S ATOM 0 H CYS A 107 8.466 18.256 -14.942 1.00 32.00 H new ATOM 0 HA CYS A 107 10.970 18.379 -13.644 1.00 1.20 H new ATOM 0 HB2 CYS A 107 8.871 18.737 -11.852 1.00 41.04 H new ATOM 0 HB3 CYS A 107 9.140 17.007 -11.782 1.00 41.04 H new ATOM 196 N CYS A 108 9.824 16.377 -15.356 1.00 53.21 N ATOM 197 CA CYS A 108 9.818 15.063 -15.987 1.00 24.04 C ATOM 198 C CYS A 108 11.148 14.348 -15.764 1.00 2.02 C ATOM 199 O CYS A 108 11.965 14.774 -14.948 1.00 4.43 O ATOM 200 CB CYS A 108 9.543 15.194 -17.486 1.00 14.53 C ATOM 201 SG CYS A 108 10.820 16.118 -18.399 1.00 71.03 S ATOM 0 H CYS A 108 9.691 17.155 -16.002 1.00 53.21 H new ATOM 0 HA CYS A 108 9.025 14.472 -15.530 1.00 24.04 H new ATOM 0 HB2 CYS A 108 9.454 14.197 -17.917 1.00 14.53 H new ATOM 0 HB3 CYS A 108 8.582 15.689 -17.626 1.00 14.53 H new ATOM 206 N ASP A 109 11.357 13.259 -16.496 1.00 30.20 N ATOM 207 CA ASP A 109 12.587 12.484 -16.380 1.00 43.11 C ATOM 208 C ASP A 109 12.643 11.749 -15.044 1.00 60.21 C ATOM 209 O ASP A 109 13.002 12.314 -14.011 1.00 11.22 O ATOM 210 CB ASP A 109 13.806 13.398 -16.524 1.00 31.41 C ATOM 211 CG ASP A 109 13.578 14.511 -17.528 1.00 44.32 C ATOM 212 OD1 ASP A 109 13.311 14.201 -18.708 1.00 32.04 O ATOM 213 OD2 ASP A 109 13.670 15.693 -17.135 1.00 32.14 O ATOM 0 H ASP A 109 10.691 12.893 -17.176 1.00 30.20 H new ATOM 0 HA ASP A 109 12.599 11.745 -17.181 1.00 43.11 H new ATOM 0 HB2 ASP A 109 14.048 13.832 -15.554 1.00 31.41 H new ATOM 0 HB3 ASP A 109 14.667 12.805 -16.832 1.00 31.41 H new ATOM 218 N PRO A 110 12.279 10.458 -15.064 1.00 45.14 N ATOM 219 CA PRO A 110 12.279 9.618 -13.863 1.00 62.20 C ATOM 220 C PRO A 110 13.688 9.315 -13.367 1.00 64.44 C ATOM 221 O PRO A 110 13.869 8.717 -12.305 1.00 41.44 O ATOM 222 CB PRO A 110 11.588 8.333 -14.329 1.00 10.52 C ATOM 223 CG PRO A 110 11.825 8.289 -15.799 1.00 31.42 C ATOM 224 CD PRO A 110 11.841 9.720 -16.260 1.00 74.12 C ATOM 0 HA PRO A 110 11.782 10.106 -13.025 1.00 62.20 H new ATOM 0 HB2 PRO A 110 12.006 7.456 -13.834 1.00 10.52 H new ATOM 0 HB3 PRO A 110 10.523 8.351 -14.100 1.00 10.52 H new ATOM 0 HG2 PRO A 110 12.770 7.795 -16.027 1.00 31.42 H new ATOM 0 HG3 PRO A 110 11.040 7.725 -16.304 1.00 31.42 H new ATOM 0 HD2 PRO A 110 12.526 9.866 -17.095 1.00 74.12 H new ATOM 0 HD3 PRO A 110 10.856 10.045 -16.595 1.00 74.12 H new ATOM 232 N CYS A 111 14.686 9.729 -14.142 1.00 13.12 N ATOM 233 CA CYS A 111 16.079 9.502 -13.782 1.00 3.20 C ATOM 234 C CYS A 111 16.591 10.607 -12.862 1.00 75.22 C ATOM 235 O CYS A 111 17.674 10.500 -12.288 1.00 34.12 O ATOM 236 CB CYS A 111 16.948 9.428 -15.039 1.00 54.33 C ATOM 237 SG CYS A 111 17.296 7.731 -15.604 1.00 3.12 S ATOM 0 H CYS A 111 14.554 10.224 -15.024 1.00 13.12 H new ATOM 0 HA CYS A 111 16.139 8.553 -13.250 1.00 3.20 H new ATOM 0 HB2 CYS A 111 16.453 9.973 -15.843 1.00 54.33 H new ATOM 0 HB3 CYS A 111 17.893 9.936 -14.845 1.00 54.33 H new ATOM 242 N ALA A 112 15.803 11.669 -12.728 1.00 63.31 N ATOM 243 CA ALA A 112 16.174 12.793 -11.876 1.00 52.04 C ATOM 244 C ALA A 112 15.382 12.780 -10.574 1.00 63.41 C ATOM 245 O ALA A 112 14.463 11.979 -10.403 1.00 50.23 O ATOM 246 CB ALA A 112 15.960 14.106 -12.614 1.00 52.53 C ATOM 0 H ALA A 112 14.904 11.775 -13.198 1.00 63.31 H new ATOM 0 HA ALA A 112 17.231 12.696 -11.628 1.00 52.04 H new ATOM 0 HB1 ALA A 112 16.241 14.937 -11.967 1.00 52.53 H new ATOM 0 HB2 ALA A 112 16.576 14.122 -13.513 1.00 52.53 H new ATOM 0 HB3 ALA A 112 14.910 14.201 -12.891 1.00 52.53 H new ATOM 252 N SER A 113 15.745 13.670 -9.657 1.00 0.34 N ATOM 253 CA SER A 113 15.071 13.759 -8.367 1.00 32.50 C ATOM 254 C SER A 113 15.041 15.199 -7.867 1.00 12.41 C ATOM 255 O SER A 113 15.980 15.964 -8.084 1.00 41.42 O ATOM 256 CB SER A 113 15.770 12.865 -7.340 1.00 61.02 C ATOM 257 OG SER A 113 14.857 12.402 -6.361 1.00 51.24 O ATOM 0 H SER A 113 16.503 14.341 -9.783 1.00 0.34 H new ATOM 0 HA SER A 113 14.044 13.417 -8.497 1.00 32.50 H new ATOM 0 HB2 SER A 113 16.228 12.015 -7.845 1.00 61.02 H new ATOM 0 HB3 SER A 113 16.574 13.420 -6.858 1.00 61.02 H new ATOM 0 HG SER A 113 15.328 11.832 -5.718 1.00 51.24 H new ATOM 263 N CYS A 114 13.954 15.562 -7.194 1.00 1.41 N ATOM 264 CA CYS A 114 13.799 16.911 -6.662 1.00 33.33 C ATOM 265 C CYS A 114 14.812 17.178 -5.553 1.00 41.23 C ATOM 266 O CYS A 114 14.629 16.750 -4.414 1.00 31.43 O ATOM 267 CB CYS A 114 12.378 17.111 -6.129 1.00 62.22 C ATOM 268 SG CYS A 114 11.971 18.840 -5.728 1.00 12.52 S ATOM 0 H CYS A 114 13.168 14.941 -7.004 1.00 1.41 H new ATOM 0 HA CYS A 114 13.979 17.617 -7.472 1.00 33.33 H new ATOM 0 HB2 CYS A 114 11.668 16.745 -6.871 1.00 62.22 H new ATOM 0 HB3 CYS A 114 12.248 16.501 -5.235 1.00 62.22 H new ATOM 273 N TYR A 115 15.880 17.890 -5.895 1.00 44.44 N ATOM 274 CA TYR A 115 16.924 18.214 -4.930 1.00 0.02 C ATOM 275 C TYR A 115 16.883 19.693 -4.558 1.00 23.34 C ATOM 276 O TYR A 115 16.630 20.552 -5.404 1.00 62.32 O ATOM 277 CB TYR A 115 18.300 17.857 -5.497 1.00 14.51 C ATOM 278 CG TYR A 115 19.436 18.618 -4.852 1.00 34.12 C ATOM 279 CD1 TYR A 115 20.021 18.167 -3.675 1.00 63.53 C ATOM 280 CD2 TYR A 115 19.924 19.788 -5.419 1.00 21.11 C ATOM 281 CE1 TYR A 115 21.059 18.859 -3.082 1.00 52.21 C ATOM 282 CE2 TYR A 115 20.963 20.486 -4.834 1.00 13.50 C ATOM 283 CZ TYR A 115 21.526 20.019 -3.665 1.00 62.43 C ATOM 284 OH TYR A 115 22.561 20.710 -3.079 1.00 11.23 O ATOM 0 H TYR A 115 16.046 18.254 -6.833 1.00 44.44 H new ATOM 0 HA TYR A 115 16.746 17.627 -4.029 1.00 0.02 H new ATOM 0 HB2 TYR A 115 18.471 16.788 -5.369 1.00 14.51 H new ATOM 0 HB3 TYR A 115 18.304 18.054 -6.569 1.00 14.51 H new ATOM 0 HD1 TYR A 115 19.658 17.259 -3.216 1.00 63.53 H new ATOM 0 HD2 TYR A 115 19.484 20.159 -6.333 1.00 21.11 H new ATOM 0 HE1 TYR A 115 21.502 18.494 -2.167 1.00 52.21 H new ATOM 0 HE2 TYR A 115 21.332 21.393 -5.290 1.00 13.50 H new ATOM 0 HH TYR A 115 22.770 21.503 -3.615 1.00 11.23 H new ATOM 294 N CYS A 116 17.133 19.983 -3.286 1.00 65.24 N ATOM 295 CA CYS A 116 17.127 21.358 -2.799 1.00 35.10 C ATOM 296 C CYS A 116 18.513 21.771 -2.315 1.00 33.03 C ATOM 297 O CYS A 116 19.351 20.924 -2.004 1.00 14.33 O ATOM 298 CB CYS A 116 16.111 21.513 -1.665 1.00 54.41 C ATOM 299 SG CYS A 116 14.445 20.897 -2.069 1.00 35.04 S ATOM 0 H CYS A 116 17.342 19.284 -2.573 1.00 65.24 H new ATOM 0 HA CYS A 116 16.843 22.009 -3.626 1.00 35.10 H new ATOM 0 HB2 CYS A 116 16.479 20.983 -0.787 1.00 54.41 H new ATOM 0 HB3 CYS A 116 16.041 22.567 -1.396 1.00 54.41 H new ATOM 304 N ARG A 117 18.747 23.077 -2.254 1.00 3.11 N ATOM 305 CA ARG A 117 20.032 23.603 -1.809 1.00 32.25 C ATOM 306 C ARG A 117 19.877 24.392 -0.511 1.00 53.54 C ATOM 307 O ARG A 117 18.810 24.393 0.103 1.00 71.02 O ATOM 308 CB ARG A 117 20.644 24.495 -2.890 1.00 43.33 C ATOM 309 CG ARG A 117 19.612 25.212 -3.746 1.00 22.04 C ATOM 310 CD ARG A 117 18.794 26.196 -2.923 1.00 41.13 C ATOM 311 NE ARG A 117 18.385 27.357 -3.709 1.00 61.22 N ATOM 312 CZ ARG A 117 19.225 28.303 -4.113 1.00 53.42 C ATOM 313 NH1 ARG A 117 20.513 28.227 -3.808 1.00 51.04 N ATOM 314 NH2 ARG A 117 18.776 29.330 -4.825 1.00 30.25 N ATOM 0 H ARG A 117 18.064 23.791 -2.507 1.00 3.11 H new ATOM 0 HA ARG A 117 20.697 22.759 -1.624 1.00 32.25 H new ATOM 0 HB2 ARG A 117 21.288 25.236 -2.416 1.00 43.33 H new ATOM 0 HB3 ARG A 117 21.279 23.887 -3.535 1.00 43.33 H new ATOM 0 HG2 ARG A 117 20.114 25.742 -4.556 1.00 22.04 H new ATOM 0 HG3 ARG A 117 18.948 24.481 -4.207 1.00 22.04 H new ATOM 0 HD2 ARG A 117 17.910 25.694 -2.531 1.00 41.13 H new ATOM 0 HD3 ARG A 117 19.380 26.527 -2.065 1.00 41.13 H new ATOM 0 HE ARG A 117 17.401 27.446 -3.961 1.00 61.22 H new ATOM 0 HH11 ARG A 117 20.862 27.440 -3.261 1.00 51.04 H new ATOM 0 HH12 ARG A 117 21.155 28.956 -4.120 1.00 51.04 H new ATOM 0 HH21 ARG A 117 17.786 29.392 -5.062 1.00 30.25 H new ATOM 0 HH22 ARG A 117 19.421 30.056 -5.135 1.00 30.25 H new ATOM 328 N PHE A 118 20.949 25.062 -0.101 1.00 73.21 N ATOM 329 CA PHE A 118 20.933 25.853 1.123 1.00 4.14 C ATOM 330 C PHE A 118 19.624 26.626 1.254 1.00 11.05 C ATOM 331 O PHE A 118 18.908 26.494 2.248 1.00 43.01 O ATOM 332 CB PHE A 118 22.116 26.824 1.145 1.00 75.03 C ATOM 333 CG PHE A 118 23.444 26.146 1.324 1.00 1.41 C ATOM 334 CD1 PHE A 118 23.813 25.631 2.556 1.00 62.32 C ATOM 335 CD2 PHE A 118 24.324 26.025 0.261 1.00 70.11 C ATOM 336 CE1 PHE A 118 25.034 25.006 2.725 1.00 42.55 C ATOM 337 CE2 PHE A 118 25.546 25.401 0.423 1.00 24.25 C ATOM 338 CZ PHE A 118 25.903 24.892 1.656 1.00 2.23 C ATOM 0 H PHE A 118 21.839 25.073 -0.599 1.00 73.21 H new ATOM 0 HA PHE A 118 21.018 25.170 1.968 1.00 4.14 H new ATOM 0 HB2 PHE A 118 22.129 27.390 0.214 1.00 75.03 H new ATOM 0 HB3 PHE A 118 21.972 27.542 1.952 1.00 75.03 H new ATOM 0 HD1 PHE A 118 23.138 25.719 3.395 1.00 62.32 H new ATOM 0 HD2 PHE A 118 24.052 26.423 -0.705 1.00 70.11 H new ATOM 0 HE1 PHE A 118 25.309 24.607 3.690 1.00 42.55 H new ATOM 0 HE2 PHE A 118 26.222 25.311 -0.415 1.00 24.25 H new ATOM 0 HZ PHE A 118 26.859 24.406 1.785 1.00 2.23 H new ATOM 348 N PHE A 119 19.317 27.433 0.245 1.00 41.31 N ATOM 349 CA PHE A 119 18.095 28.229 0.246 1.00 31.32 C ATOM 350 C PHE A 119 16.888 27.372 0.612 1.00 34.24 C ATOM 351 O PHE A 119 16.061 27.764 1.436 1.00 51.51 O ATOM 352 CB PHE A 119 17.880 28.874 -1.125 1.00 15.31 C ATOM 353 CG PHE A 119 17.233 30.228 -1.055 1.00 2.42 C ATOM 354 CD1 PHE A 119 17.784 31.234 -0.277 1.00 75.34 C ATOM 355 CD2 PHE A 119 16.074 30.494 -1.767 1.00 44.24 C ATOM 356 CE1 PHE A 119 17.192 32.481 -0.211 1.00 62.14 C ATOM 357 CE2 PHE A 119 15.478 31.740 -1.706 1.00 45.30 C ATOM 358 CZ PHE A 119 16.038 32.735 -0.926 1.00 75.32 C ATOM 0 H PHE A 119 19.898 27.554 -0.585 1.00 41.31 H new ATOM 0 HA PHE A 119 18.202 29.013 0.996 1.00 31.32 H new ATOM 0 HB2 PHE A 119 18.842 28.965 -1.630 1.00 15.31 H new ATOM 0 HB3 PHE A 119 17.261 28.215 -1.735 1.00 15.31 H new ATOM 0 HD1 PHE A 119 18.686 31.041 0.284 1.00 75.34 H new ATOM 0 HD2 PHE A 119 15.632 29.720 -2.376 1.00 44.24 H new ATOM 0 HE1 PHE A 119 17.631 33.256 0.399 1.00 62.14 H new ATOM 0 HE2 PHE A 119 14.576 31.936 -2.267 1.00 45.30 H new ATOM 0 HZ PHE A 119 15.574 33.709 -0.876 1.00 75.32 H new ATOM 368 N ARG A 120 16.794 26.198 -0.005 1.00 15.33 N ATOM 369 CA ARG A 120 15.687 25.286 0.255 1.00 74.42 C ATOM 370 C ARG A 120 14.358 25.909 -0.164 1.00 34.23 C ATOM 371 O ARG A 120 13.291 25.446 0.236 1.00 33.33 O ATOM 372 CB ARG A 120 15.642 24.912 1.737 1.00 62.00 C ATOM 373 CG ARG A 120 16.134 23.503 2.026 1.00 61.13 C ATOM 374 CD ARG A 120 15.180 22.456 1.473 1.00 42.03 C ATOM 375 NE ARG A 120 15.694 21.100 1.649 1.00 12.04 N ATOM 376 CZ ARG A 120 14.934 20.013 1.588 1.00 34.43 C ATOM 377 NH1 ARG A 120 13.633 20.121 1.355 1.00 1.34 N ATOM 378 NH2 ARG A 120 15.474 18.813 1.759 1.00 10.21 N ATOM 0 H ARG A 120 17.471 25.857 -0.688 1.00 15.33 H new ATOM 0 HA ARG A 120 15.848 24.384 -0.335 1.00 74.42 H new ATOM 0 HB2 ARG A 120 16.248 25.622 2.300 1.00 62.00 H new ATOM 0 HB3 ARG A 120 14.618 25.011 2.097 1.00 62.00 H new ATOM 0 HG2 ARG A 120 17.122 23.364 1.587 1.00 61.13 H new ATOM 0 HG3 ARG A 120 16.241 23.367 3.102 1.00 61.13 H new ATOM 0 HD2 ARG A 120 14.215 22.545 1.972 1.00 42.03 H new ATOM 0 HD3 ARG A 120 15.010 22.644 0.413 1.00 42.03 H new ATOM 0 HE ARG A 120 16.691 20.982 1.829 1.00 12.04 H new ATOM 0 HH11 ARG A 120 13.213 21.041 1.222 1.00 1.34 H new ATOM 0 HH12 ARG A 120 13.052 19.284 1.309 1.00 1.34 H new ATOM 0 HH21 ARG A 120 16.474 18.725 1.938 1.00 10.21 H new ATOM 0 HH22 ARG A 120 14.889 17.979 1.712 1.00 10.21 H new ATOM 392 N SER A 121 14.433 26.962 -0.971 1.00 71.34 N ATOM 393 CA SER A 121 13.237 27.651 -1.441 1.00 54.21 C ATOM 394 C SER A 121 13.119 27.562 -2.960 1.00 22.03 C ATOM 395 O SER A 121 12.044 27.769 -3.524 1.00 3.14 O ATOM 396 CB SER A 121 13.263 29.117 -1.005 1.00 4.52 C ATOM 397 OG SER A 121 12.153 29.424 -0.179 1.00 55.11 O ATOM 0 H SER A 121 15.309 27.357 -1.313 1.00 71.34 H new ATOM 0 HA SER A 121 12.369 27.163 -0.998 1.00 54.21 H new ATOM 0 HB2 SER A 121 14.188 29.323 -0.467 1.00 4.52 H new ATOM 0 HB3 SER A 121 13.255 29.761 -1.884 1.00 4.52 H new ATOM 0 HG SER A 121 12.194 30.366 0.087 1.00 55.11 H new ATOM 403 N ALA A 122 14.233 27.253 -3.616 1.00 12.51 N ATOM 404 CA ALA A 122 14.256 27.135 -5.068 1.00 53.01 C ATOM 405 C ALA A 122 14.813 25.784 -5.501 1.00 23.33 C ATOM 406 O ALA A 122 15.852 25.710 -6.159 1.00 31.12 O ATOM 407 CB ALA A 122 15.073 28.264 -5.677 1.00 54.40 C ATOM 0 H ALA A 122 15.131 27.080 -3.164 1.00 12.51 H new ATOM 0 HA ALA A 122 13.230 27.208 -5.429 1.00 53.01 H new ATOM 0 HB1 ALA A 122 15.081 28.163 -6.762 1.00 54.40 H new ATOM 0 HB2 ALA A 122 14.629 29.222 -5.405 1.00 54.40 H new ATOM 0 HB3 ALA A 122 16.095 28.218 -5.301 1.00 54.40 H new ATOM 413 N CYS A 123 14.118 24.715 -5.126 1.00 61.41 N ATOM 414 CA CYS A 123 14.544 23.364 -5.474 1.00 63.20 C ATOM 415 C CYS A 123 14.383 23.111 -6.969 1.00 71.24 C ATOM 416 O CYS A 123 13.598 23.781 -7.643 1.00 24.22 O ATOM 417 CB CYS A 123 13.739 22.333 -4.681 1.00 31.41 C ATOM 418 SG CYS A 123 13.649 22.674 -2.894 1.00 12.45 S ATOM 0 H CYS A 123 13.257 24.758 -4.581 1.00 61.41 H new ATOM 0 HA CYS A 123 15.599 23.266 -5.219 1.00 63.20 H new ATOM 0 HB2 CYS A 123 12.727 22.291 -5.083 1.00 31.41 H new ATOM 0 HB3 CYS A 123 14.183 21.349 -4.830 1.00 31.41 H new ATOM 423 N TYR A 124 15.130 22.140 -7.483 1.00 54.02 N ATOM 424 CA TYR A 124 15.071 21.799 -8.900 1.00 42.31 C ATOM 425 C TYR A 124 15.302 20.306 -9.111 1.00 21.00 C ATOM 426 O TYR A 124 15.880 19.628 -8.260 1.00 54.45 O ATOM 427 CB TYR A 124 16.112 22.603 -9.683 1.00 34.30 C ATOM 428 CG TYR A 124 17.362 22.908 -8.891 1.00 4.22 C ATOM 429 CD1 TYR A 124 18.307 21.922 -8.639 1.00 64.42 C ATOM 430 CD2 TYR A 124 17.598 24.183 -8.392 1.00 4.50 C ATOM 431 CE1 TYR A 124 19.451 22.196 -7.915 1.00 30.31 C ATOM 432 CE2 TYR A 124 18.740 24.467 -7.668 1.00 1.12 C ATOM 433 CZ TYR A 124 19.663 23.471 -7.432 1.00 64.10 C ATOM 434 OH TYR A 124 20.801 23.749 -6.710 1.00 11.12 O ATOM 0 H TYR A 124 15.783 21.575 -6.940 1.00 54.02 H new ATOM 0 HA TYR A 124 14.076 22.050 -9.267 1.00 42.31 H new ATOM 0 HB2 TYR A 124 16.387 22.049 -10.580 1.00 34.30 H new ATOM 0 HB3 TYR A 124 15.663 23.540 -10.012 1.00 34.30 H new ATOM 0 HD1 TYR A 124 18.145 20.923 -9.016 1.00 64.42 H new ATOM 0 HD2 TYR A 124 16.876 24.966 -8.573 1.00 4.50 H new ATOM 0 HE1 TYR A 124 20.175 21.417 -7.728 1.00 30.31 H new ATOM 0 HE2 TYR A 124 18.909 25.464 -7.289 1.00 1.12 H new ATOM 0 HH TYR A 124 20.798 24.692 -6.444 1.00 11.12 H new ATOM 444 N CYS A 125 14.846 19.798 -10.251 1.00 52.24 N ATOM 445 CA CYS A 125 15.001 18.386 -10.577 1.00 12.33 C ATOM 446 C CYS A 125 16.458 18.056 -10.887 1.00 31.00 C ATOM 447 O CYS A 125 16.897 18.158 -12.032 1.00 62.35 O ATOM 448 CB CYS A 125 14.117 18.016 -11.770 1.00 43.34 C ATOM 449 SG CYS A 125 12.583 17.147 -11.318 1.00 34.42 S ATOM 0 H CYS A 125 14.365 20.345 -10.966 1.00 52.24 H new ATOM 0 HA CYS A 125 14.692 17.803 -9.710 1.00 12.33 H new ATOM 0 HB2 CYS A 125 13.860 18.925 -12.314 1.00 43.34 H new ATOM 0 HB3 CYS A 125 14.690 17.388 -12.452 1.00 43.34 H new ATOM 454 N ARG A 126 17.201 17.662 -9.859 1.00 61.40 N ATOM 455 CA ARG A 126 18.608 17.318 -10.020 1.00 64.03 C ATOM 456 C ARG A 126 18.799 15.804 -10.045 1.00 51.24 C ATOM 457 O ARG A 126 18.247 15.084 -9.214 1.00 63.30 O ATOM 458 CB ARG A 126 19.438 17.928 -8.889 1.00 43.42 C ATOM 459 CG ARG A 126 20.903 18.120 -9.244 1.00 64.12 C ATOM 460 CD ARG A 126 21.284 19.592 -9.265 1.00 52.24 C ATOM 461 NE ARG A 126 22.210 19.902 -10.351 1.00 30.22 N ATOM 462 CZ ARG A 126 22.957 21.001 -10.388 1.00 72.41 C ATOM 463 NH1 ARG A 126 22.886 21.888 -9.406 1.00 20.14 N ATOM 464 NH2 ARG A 126 23.776 21.212 -11.410 1.00 52.00 N ATOM 0 H ARG A 126 16.852 17.573 -8.905 1.00 61.40 H new ATOM 0 HA ARG A 126 18.948 17.726 -10.972 1.00 64.03 H new ATOM 0 HB2 ARG A 126 19.010 18.892 -8.615 1.00 43.42 H new ATOM 0 HB3 ARG A 126 19.367 17.286 -8.011 1.00 43.42 H new ATOM 0 HG2 ARG A 126 21.526 17.592 -8.521 1.00 64.12 H new ATOM 0 HG3 ARG A 126 21.103 17.678 -10.220 1.00 64.12 H new ATOM 0 HD2 ARG A 126 20.384 20.198 -9.372 1.00 52.24 H new ATOM 0 HD3 ARG A 126 21.739 19.862 -8.312 1.00 52.24 H new ATOM 0 HE ARG A 126 22.288 19.240 -11.123 1.00 30.22 H new ATOM 0 HH11 ARG A 126 22.257 21.728 -8.619 1.00 20.14 H new ATOM 0 HH12 ARG A 126 23.460 22.730 -9.437 1.00 20.14 H new ATOM 0 HH21 ARG A 126 23.832 20.531 -12.167 1.00 52.00 H new ATOM 0 HH22 ARG A 126 24.349 22.055 -11.439 1.00 52.00 H new ATOM 478 N VAL A 127 19.584 15.327 -11.007 1.00 0.42 N ATOM 479 CA VAL A 127 19.848 13.899 -11.140 1.00 44.53 C ATOM 480 C VAL A 127 20.973 13.459 -10.211 1.00 24.31 C ATOM 481 O VAL A 127 22.153 13.581 -10.544 1.00 10.14 O ATOM 482 CB VAL A 127 20.220 13.530 -12.589 1.00 52.44 C ATOM 483 CG1 VAL A 127 18.994 13.584 -13.486 1.00 15.02 C ATOM 484 CG2 VAL A 127 21.312 14.454 -13.109 1.00 63.10 C ATOM 0 H VAL A 127 20.048 15.909 -11.705 1.00 0.42 H new ATOM 0 HA VAL A 127 18.930 13.380 -10.865 1.00 44.53 H new ATOM 0 HB VAL A 127 20.602 12.509 -12.599 1.00 52.44 H new ATOM 0 HG11 VAL A 127 19.277 13.320 -14.505 1.00 15.02 H new ATOM 0 HG12 VAL A 127 18.246 12.879 -13.123 1.00 15.02 H new ATOM 0 HG13 VAL A 127 18.578 14.592 -13.474 1.00 15.02 H new ATOM 0 HG21 VAL A 127 21.563 14.180 -14.134 1.00 63.10 H new ATOM 0 HG22 VAL A 127 20.958 15.485 -13.085 1.00 63.10 H new ATOM 0 HG23 VAL A 127 22.198 14.360 -12.481 1.00 63.10 H new ATOM 494 N LEU A 128 20.601 12.946 -9.043 1.00 42.13 N ATOM 495 CA LEU A 128 21.579 12.486 -8.063 1.00 14.10 C ATOM 496 C LEU A 128 21.853 10.995 -8.226 1.00 14.22 C ATOM 497 O LEU A 128 22.084 10.285 -7.246 1.00 54.43 O ATOM 498 CB LEU A 128 21.083 12.774 -6.644 1.00 63.42 C ATOM 499 CG LEU A 128 21.096 14.241 -6.213 1.00 72.34 C ATOM 500 CD1 LEU A 128 22.469 14.852 -6.443 1.00 10.32 C ATOM 501 CD2 LEU A 128 20.028 15.025 -6.962 1.00 1.54 C ATOM 0 H LEU A 128 19.629 12.838 -8.752 1.00 42.13 H new ATOM 0 HA LEU A 128 22.509 13.028 -8.233 1.00 14.10 H new ATOM 0 HB2 LEU A 128 20.064 12.399 -6.554 1.00 63.42 H new ATOM 0 HB3 LEU A 128 21.695 12.205 -5.944 1.00 63.42 H new ATOM 0 HG LEU A 128 20.874 14.290 -5.147 1.00 72.34 H new ATOM 0 HD11 LEU A 128 22.460 15.896 -6.131 1.00 10.32 H new ATOM 0 HD12 LEU A 128 23.212 14.306 -5.862 1.00 10.32 H new ATOM 0 HD13 LEU A 128 22.721 14.792 -7.502 1.00 10.32 H new ATOM 0 HD21 LEU A 128 20.051 16.067 -6.643 1.00 1.54 H new ATOM 0 HD22 LEU A 128 20.220 14.969 -8.034 1.00 1.54 H new ATOM 0 HD23 LEU A 128 19.047 14.601 -6.746 1.00 1.54 H new ATOM 513 N SER A 129 21.828 10.526 -9.470 1.00 33.12 N ATOM 514 CA SER A 129 22.072 9.118 -9.760 1.00 53.14 C ATOM 515 C SER A 129 23.467 8.918 -10.344 1.00 74.21 C ATOM 516 O SER A 129 24.171 7.971 -9.990 1.00 50.12 O ATOM 517 CB SER A 129 21.018 8.588 -10.735 1.00 61.42 C ATOM 518 OG SER A 129 21.619 8.122 -11.931 1.00 50.03 O ATOM 0 H SER A 129 21.641 11.100 -10.292 1.00 33.12 H new ATOM 0 HA SER A 129 22.005 8.562 -8.825 1.00 53.14 H new ATOM 0 HB2 SER A 129 20.458 7.779 -10.266 1.00 61.42 H new ATOM 0 HB3 SER A 129 20.303 9.377 -10.967 1.00 61.42 H new ATOM 0 HG SER A 129 20.925 7.787 -12.537 1.00 50.03 H new ATOM 524 N LEU A 130 23.862 9.816 -11.240 1.00 14.41 N ATOM 525 CA LEU A 130 25.173 9.740 -11.874 1.00 42.00 C ATOM 526 C LEU A 130 25.328 8.436 -12.650 1.00 42.14 C ATOM 527 O LEU A 130 26.442 7.990 -12.918 1.00 4.51 O ATOM 528 CB LEU A 130 26.278 9.855 -10.821 1.00 34.23 C ATOM 529 CG LEU A 130 26.157 11.027 -9.847 1.00 42.20 C ATOM 530 CD1 LEU A 130 27.119 10.854 -8.682 1.00 44.42 C ATOM 531 CD2 LEU A 130 26.416 12.345 -10.564 1.00 72.51 C ATOM 0 H LEU A 130 23.292 10.606 -11.544 1.00 14.41 H new ATOM 0 HA LEU A 130 25.259 10.570 -12.575 1.00 42.00 H new ATOM 0 HB2 LEU A 130 26.301 8.930 -10.244 1.00 34.23 H new ATOM 0 HB3 LEU A 130 27.236 9.933 -11.335 1.00 34.23 H new ATOM 0 HG LEU A 130 25.141 11.044 -9.453 1.00 42.20 H new ATOM 0 HD11 LEU A 130 27.019 11.698 -7.999 1.00 44.42 H new ATOM 0 HD12 LEU A 130 26.887 9.929 -8.153 1.00 44.42 H new ATOM 0 HD13 LEU A 130 28.141 10.811 -9.058 1.00 44.42 H new ATOM 0 HD21 LEU A 130 26.326 13.168 -9.856 1.00 72.51 H new ATOM 0 HD22 LEU A 130 27.421 12.338 -10.986 1.00 72.51 H new ATOM 0 HD23 LEU A 130 25.687 12.473 -11.364 1.00 72.51 H new ATOM 543 N ASN A 131 24.201 7.831 -13.011 1.00 32.34 N ATOM 544 CA ASN A 131 24.211 6.578 -13.757 1.00 40.24 C ATOM 545 C ASN A 131 23.473 6.731 -15.084 1.00 32.31 C ATOM 546 O ASN A 131 23.833 6.107 -16.083 1.00 71.21 O ATOM 547 CB ASN A 131 23.573 5.462 -12.930 1.00 34.30 C ATOM 548 CG ASN A 131 24.558 4.812 -11.979 1.00 22.24 C ATOM 549 OD1 ASN A 131 25.738 4.661 -12.296 1.00 33.00 O ATOM 550 ND2 ASN A 131 24.076 4.423 -10.804 1.00 32.54 N ATOM 0 H ASN A 131 23.269 8.188 -12.799 1.00 32.34 H new ATOM 0 HA ASN A 131 25.248 6.316 -13.966 1.00 40.24 H new ATOM 0 HB2 ASN A 131 22.737 5.868 -12.361 1.00 34.30 H new ATOM 0 HB3 ASN A 131 23.165 4.705 -13.600 1.00 34.30 H new ATOM 0 HD21 ASN A 131 24.691 3.979 -10.122 1.00 32.54 H new ATOM 0 HD22 ASN A 131 23.091 4.568 -10.584 1.00 32.54 H new ATOM 557 N CYS A 132 22.437 7.564 -15.087 1.00 30.45 N ATOM 558 CA CYS A 132 21.647 7.799 -16.289 1.00 12.24 C ATOM 559 C CYS A 132 22.389 8.715 -17.256 1.00 51.13 C ATOM 560 O CYS A 132 21.962 8.908 -18.395 1.00 21.43 O ATOM 561 CB CYS A 132 20.294 8.413 -15.922 1.00 51.15 C ATOM 562 SG CYS A 132 19.194 7.292 -15.001 1.00 33.14 S ATOM 0 H CYS A 132 22.125 8.088 -14.269 1.00 30.45 H new ATOM 0 HA CYS A 132 21.482 6.840 -16.780 1.00 12.24 H new ATOM 0 HB2 CYS A 132 20.464 9.309 -15.325 1.00 51.15 H new ATOM 0 HB3 CYS A 132 19.791 8.729 -16.836 1.00 51.15 H new TER 567 CYS A 132