USER MOD reduce.3.24.130724 H: found=0, std=0, add=253, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 249 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 23 CYS SG : rot -61:sc= -21.6! USER MOD Set 1.2: A 35 CYS SG : rot -60:sc= -21.5! USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 ASN : amide:sc= 0 X(o=0,f=-0.0077) USER MOD Single : A 8 THR OG1 : rot 71:sc= -1.95 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.0125 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -5.46 K(o=-5.5,f=-10!) USER MOD Single : A 34 TYR OH : rot -108:sc= 0.945 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.300 0.572 1.072 1.00 54.43 N ATOM 2 CA GLY A 1 0.892 -0.486 0.275 1.00 21.11 C ATOM 3 C GLY A 1 1.002 -0.117 -1.191 1.00 14.52 C ATOM 4 O GLY A 1 1.985 0.492 -1.614 1.00 11.23 O ATOM 0 H1 GLY A 1 0.247 0.270 2.066 1.00 54.43 H new ATOM 0 H2 GLY A 1 0.885 1.429 1.001 1.00 54.43 H new ATOM 0 H3 GLY A 1 -0.657 0.777 0.721 1.00 54.43 H new ATOM 0 HA2 GLY A 1 1.884 -0.717 0.663 1.00 21.11 H new ATOM 0 HA3 GLY A 1 0.292 -1.390 0.375 1.00 21.11 H new ATOM 8 N CYS A 2 -0.010 -0.486 -1.970 1.00 24.23 N ATOM 9 CA CYS A 2 -0.023 -0.192 -3.398 1.00 21.25 C ATOM 10 C CYS A 2 -1.447 -0.216 -3.945 1.00 13.25 C ATOM 11 O CYS A 2 -1.833 -1.142 -4.659 1.00 14.43 O ATOM 12 CB CYS A 2 0.843 -1.201 -4.155 1.00 51.32 C ATOM 13 SG CYS A 2 0.539 -2.937 -3.693 1.00 43.51 S ATOM 0 H CYS A 2 -0.832 -0.989 -1.636 1.00 24.23 H new ATOM 0 HA CYS A 2 0.386 0.808 -3.542 1.00 21.25 H new ATOM 0 HB2 CYS A 2 0.667 -1.085 -5.224 1.00 51.32 H new ATOM 0 HB3 CYS A 2 1.893 -0.968 -3.978 1.00 51.32 H new ATOM 18 N ILE A 3 -2.223 0.808 -3.604 1.00 44.24 N ATOM 19 CA ILE A 3 -3.603 0.906 -4.062 1.00 70.43 C ATOM 20 C ILE A 3 -4.420 -0.299 -3.606 1.00 43.24 C ATOM 21 O ILE A 3 -3.867 -1.303 -3.154 1.00 50.53 O ATOM 22 CB ILE A 3 -3.681 1.013 -5.597 1.00 1.44 C ATOM 23 CG1 ILE A 3 -2.484 1.799 -6.136 1.00 10.41 C ATOM 24 CG2 ILE A 3 -4.987 1.672 -6.016 1.00 5.53 C ATOM 25 CD1 ILE A 3 -2.351 3.183 -5.538 1.00 62.44 C ATOM 0 H ILE A 3 -1.919 1.581 -3.012 1.00 44.24 H new ATOM 0 HA ILE A 3 -4.018 1.812 -3.621 1.00 70.43 H new ATOM 0 HB ILE A 3 -3.652 0.008 -6.019 1.00 1.44 H new ATOM 0 HG12 ILE A 3 -1.571 1.237 -5.937 1.00 10.41 H new ATOM 0 HG13 ILE A 3 -2.575 1.887 -7.219 1.00 10.41 H new ATOM 0 HG21 ILE A 3 -5.028 1.741 -7.103 1.00 5.53 H new ATOM 0 HG22 ILE A 3 -5.826 1.076 -5.658 1.00 5.53 H new ATOM 0 HG23 ILE A 3 -5.044 2.672 -5.587 1.00 5.53 H new ATOM 0 HD11 ILE A 3 -1.482 3.682 -5.966 1.00 62.44 H new ATOM 0 HD12 ILE A 3 -3.247 3.762 -5.759 1.00 62.44 H new ATOM 0 HD13 ILE A 3 -2.228 3.102 -4.458 1.00 62.44 H new ATOM 37 N LEU A 4 -5.738 -0.193 -3.730 1.00 32.34 N ATOM 38 CA LEU A 4 -6.633 -1.275 -3.332 1.00 43.01 C ATOM 39 C LEU A 4 -7.774 -1.433 -4.332 1.00 23.31 C ATOM 40 O LEU A 4 -8.339 -0.448 -4.804 1.00 72.22 O ATOM 41 CB LEU A 4 -7.197 -1.009 -1.935 1.00 63.42 C ATOM 42 CG LEU A 4 -6.245 -1.267 -0.767 1.00 5.32 C ATOM 43 CD1 LEU A 4 -5.644 0.039 -0.270 1.00 41.21 C ATOM 44 CD2 LEU A 4 -6.968 -1.987 0.362 1.00 2.31 C ATOM 0 H LEU A 4 -6.211 0.630 -4.103 1.00 32.34 H new ATOM 0 HA LEU A 4 -6.059 -2.201 -3.315 1.00 43.01 H new ATOM 0 HB2 LEU A 4 -7.524 0.030 -1.889 1.00 63.42 H new ATOM 0 HB3 LEU A 4 -8.083 -1.628 -1.799 1.00 63.42 H new ATOM 0 HG LEU A 4 -5.435 -1.906 -1.118 1.00 5.32 H new ATOM 0 HD11 LEU A 4 -4.969 -0.164 0.561 1.00 41.21 H new ATOM 0 HD12 LEU A 4 -5.090 0.516 -1.079 1.00 41.21 H new ATOM 0 HD13 LEU A 4 -6.442 0.703 0.064 1.00 41.21 H new ATOM 0 HD21 LEU A 4 -6.275 -2.162 1.185 1.00 2.31 H new ATOM 0 HD22 LEU A 4 -7.798 -1.374 0.712 1.00 2.31 H new ATOM 0 HD23 LEU A 4 -7.349 -2.942 -0.001 1.00 2.31 H new ATOM 56 N ASN A 5 -8.108 -2.680 -4.648 1.00 63.23 N ATOM 57 CA ASN A 5 -9.183 -2.968 -5.591 1.00 3.21 C ATOM 58 C ASN A 5 -9.321 -4.470 -5.816 1.00 72.42 C ATOM 59 O ASN A 5 -9.640 -4.917 -6.917 1.00 52.23 O ATOM 60 CB ASN A 5 -8.923 -2.263 -6.924 1.00 2.34 C ATOM 61 CG ASN A 5 -10.139 -1.508 -7.425 1.00 43.21 C ATOM 62 OD1 ASN A 5 -11.234 -2.063 -7.515 1.00 50.41 O ATOM 63 ND2 ASN A 5 -9.950 -0.235 -7.755 1.00 34.32 N ATOM 0 H ASN A 5 -7.650 -3.507 -4.265 1.00 63.23 H new ATOM 0 HA ASN A 5 -10.115 -2.595 -5.166 1.00 3.21 H new ATOM 0 HB2 ASN A 5 -8.090 -1.569 -6.809 1.00 2.34 H new ATOM 0 HB3 ASN A 5 -8.624 -3.000 -7.669 1.00 2.34 H new ATOM 0 HD21 ASN A 5 -10.731 0.324 -8.099 1.00 34.32 H new ATOM 0 HD22 ASN A 5 -9.024 0.183 -7.664 1.00 34.32 H new ATOM 70 N GLY A 6 -9.079 -5.246 -4.764 1.00 31.13 N ATOM 71 CA GLY A 6 -9.182 -6.690 -4.867 1.00 53.00 C ATOM 72 C GLY A 6 -8.325 -7.407 -3.843 1.00 33.21 C ATOM 73 O GLY A 6 -7.725 -8.440 -4.140 1.00 70.21 O ATOM 0 H GLY A 6 -8.813 -4.900 -3.842 1.00 31.13 H new ATOM 0 HA2 GLY A 6 -10.223 -6.987 -4.737 1.00 53.00 H new ATOM 0 HA3 GLY A 6 -8.884 -7.002 -5.868 1.00 53.00 H new ATOM 77 N ARG A 7 -8.266 -6.858 -2.634 1.00 74.01 N ATOM 78 CA ARG A 7 -7.474 -7.451 -1.564 1.00 1.35 C ATOM 79 C ARG A 7 -5.984 -7.367 -1.880 1.00 65.21 C ATOM 80 O ARG A 7 -5.400 -8.304 -2.427 1.00 1.30 O ATOM 81 CB ARG A 7 -7.879 -8.910 -1.348 1.00 14.12 C ATOM 82 CG ARG A 7 -9.383 -9.132 -1.355 1.00 50.33 C ATOM 83 CD ARG A 7 -9.778 -10.298 -0.464 1.00 35.43 C ATOM 84 NE ARG A 7 -11.070 -10.080 0.183 1.00 62.24 N ATOM 85 CZ ARG A 7 -11.585 -10.902 1.090 1.00 15.43 C ATOM 86 NH1 ARG A 7 -10.923 -11.990 1.457 1.00 4.31 N ATOM 87 NH2 ARG A 7 -12.766 -10.635 1.633 1.00 14.04 N ATOM 0 H ARG A 7 -8.757 -6.004 -2.371 1.00 74.01 H new ATOM 0 HA ARG A 7 -7.666 -6.889 -0.650 1.00 1.35 H new ATOM 0 HB2 ARG A 7 -7.426 -9.523 -2.127 1.00 14.12 H new ATOM 0 HB3 ARG A 7 -7.474 -9.254 -0.396 1.00 14.12 H new ATOM 0 HG2 ARG A 7 -9.887 -8.227 -1.016 1.00 50.33 H new ATOM 0 HG3 ARG A 7 -9.719 -9.322 -2.374 1.00 50.33 H new ATOM 0 HD2 ARG A 7 -9.820 -11.211 -1.059 1.00 35.43 H new ATOM 0 HD3 ARG A 7 -9.012 -10.448 0.297 1.00 35.43 H new ATOM 0 HE ARG A 7 -11.605 -9.251 -0.076 1.00 62.24 H new ATOM 0 HH11 ARG A 7 -10.015 -12.198 1.042 1.00 4.31 H new ATOM 0 HH12 ARG A 7 -11.322 -12.619 2.154 1.00 4.31 H new ATOM 0 HH21 ARG A 7 -13.278 -9.798 1.354 1.00 14.04 H new ATOM 0 HH22 ARG A 7 -13.161 -11.266 2.330 1.00 14.04 H new ATOM 101 N THR A 8 -5.372 -6.239 -1.533 1.00 53.31 N ATOM 102 CA THR A 8 -3.951 -6.032 -1.781 1.00 52.44 C ATOM 103 C THR A 8 -3.135 -6.243 -0.512 1.00 24.33 C ATOM 104 O THR A 8 -3.499 -5.759 0.560 1.00 43.21 O ATOM 105 CB THR A 8 -3.676 -4.617 -2.325 1.00 52.11 C ATOM 106 OG1 THR A 8 -4.851 -4.098 -2.958 1.00 73.41 O ATOM 107 CG2 THR A 8 -2.524 -4.633 -3.319 1.00 33.54 C ATOM 0 H THR A 8 -5.839 -5.454 -1.079 1.00 53.31 H new ATOM 0 HA THR A 8 -3.651 -6.766 -2.529 1.00 52.44 H new ATOM 0 HB THR A 8 -3.403 -3.977 -1.486 1.00 52.11 H new ATOM 0 HG1 THR A 8 -5.526 -3.893 -2.277 1.00 73.41 H new ATOM 0 HG21 THR A 8 -2.349 -3.623 -3.689 1.00 33.54 H new ATOM 0 HG22 THR A 8 -1.624 -5.000 -2.827 1.00 33.54 H new ATOM 0 HG23 THR A 8 -2.773 -5.287 -4.154 1.00 33.54 H new ATOM 115 N ASP A 9 -2.029 -6.969 -0.639 1.00 52.01 N ATOM 116 CA ASP A 9 -1.159 -7.243 0.499 1.00 74.32 C ATOM 117 C ASP A 9 -1.975 -7.671 1.715 1.00 5.23 C ATOM 118 O ASP A 9 -2.217 -6.876 2.624 1.00 3.34 O ATOM 119 CB ASP A 9 -0.323 -6.008 0.838 1.00 31.41 C ATOM 120 CG ASP A 9 -0.097 -5.114 -0.365 1.00 13.32 C ATOM 121 OD1 ASP A 9 0.202 -5.648 -1.453 1.00 52.21 O ATOM 122 OD2 ASP A 9 -0.219 -3.879 -0.218 1.00 21.32 O ATOM 0 H ASP A 9 -1.714 -7.378 -1.519 1.00 52.01 H new ATOM 0 HA ASP A 9 -0.491 -8.060 0.227 1.00 74.32 H new ATOM 0 HB2 ASP A 9 -0.823 -5.438 1.622 1.00 31.41 H new ATOM 0 HB3 ASP A 9 0.640 -6.324 1.239 1.00 31.41 H new ATOM 127 N LEU A 10 -2.396 -8.930 1.725 1.00 32.54 N ATOM 128 CA LEU A 10 -3.186 -9.464 2.830 1.00 64.20 C ATOM 129 C LEU A 10 -2.484 -10.655 3.476 1.00 43.34 C ATOM 130 O LEU A 10 -1.345 -10.974 3.138 1.00 23.42 O ATOM 131 CB LEU A 10 -4.572 -9.881 2.337 1.00 73.21 C ATOM 132 CG LEU A 10 -5.749 -9.066 2.874 1.00 41.51 C ATOM 133 CD1 LEU A 10 -7.048 -9.507 2.218 1.00 40.12 C ATOM 134 CD2 LEU A 10 -5.842 -9.196 4.387 1.00 32.51 C ATOM 0 H LEU A 10 -2.204 -9.601 0.981 1.00 32.54 H new ATOM 0 HA LEU A 10 -3.294 -8.679 3.579 1.00 64.20 H new ATOM 0 HB2 LEU A 10 -4.581 -9.822 1.249 1.00 73.21 H new ATOM 0 HB3 LEU A 10 -4.730 -10.927 2.601 1.00 73.21 H new ATOM 0 HG LEU A 10 -5.581 -8.017 2.629 1.00 41.51 H new ATOM 0 HD11 LEU A 10 -7.874 -8.916 2.613 1.00 40.12 H new ATOM 0 HD12 LEU A 10 -6.979 -9.360 1.140 1.00 40.12 H new ATOM 0 HD13 LEU A 10 -7.223 -10.562 2.430 1.00 40.12 H new ATOM 0 HD21 LEU A 10 -6.685 -8.609 4.751 1.00 32.51 H new ATOM 0 HD22 LEU A 10 -5.986 -10.243 4.654 1.00 32.51 H new ATOM 0 HD23 LEU A 10 -4.922 -8.829 4.841 1.00 32.51 H new ATOM 146 N GLY A 11 -3.173 -11.309 4.405 1.00 13.03 N ATOM 147 CA GLY A 11 -2.601 -12.458 5.082 1.00 60.31 C ATOM 148 C GLY A 11 -2.182 -13.550 4.117 1.00 1.30 C ATOM 149 O GLY A 11 -1.000 -13.879 4.014 1.00 4.43 O ATOM 0 H GLY A 11 -4.118 -11.064 4.701 1.00 13.03 H new ATOM 0 HA2 GLY A 11 -1.736 -12.140 5.664 1.00 60.31 H new ATOM 0 HA3 GLY A 11 -3.329 -12.860 5.787 1.00 60.31 H new ATOM 153 N THR A 12 -3.154 -14.115 3.407 1.00 25.45 N ATOM 154 CA THR A 12 -2.880 -15.178 2.448 1.00 32.14 C ATOM 155 C THR A 12 -1.991 -14.680 1.315 1.00 71.24 C ATOM 156 O THR A 12 -1.083 -15.384 0.869 1.00 12.52 O ATOM 157 CB THR A 12 -4.182 -15.746 1.853 1.00 73.11 C ATOM 158 OG1 THR A 12 -5.205 -15.780 2.854 1.00 11.15 O ATOM 159 CG2 THR A 12 -3.959 -17.146 1.301 1.00 74.00 C ATOM 0 H THR A 12 -4.137 -13.854 3.478 1.00 25.45 H new ATOM 0 HA THR A 12 -2.362 -15.969 2.991 1.00 32.14 H new ATOM 0 HB THR A 12 -4.496 -15.096 1.036 1.00 73.11 H new ATOM 0 HG1 THR A 12 -6.030 -16.141 2.467 1.00 11.15 H new ATOM 0 HG21 THR A 12 -4.892 -17.526 0.886 1.00 74.00 H new ATOM 0 HG22 THR A 12 -3.201 -17.112 0.518 1.00 74.00 H new ATOM 0 HG23 THR A 12 -3.623 -17.804 2.103 1.00 74.00 H new ATOM 167 N LEU A 13 -2.257 -13.464 0.852 1.00 44.23 N ATOM 168 CA LEU A 13 -1.479 -12.871 -0.231 1.00 12.40 C ATOM 169 C LEU A 13 -0.162 -12.306 0.291 1.00 42.14 C ATOM 170 O LEU A 13 0.648 -11.781 -0.475 1.00 54.22 O ATOM 171 CB LEU A 13 -2.284 -11.766 -0.918 1.00 34.13 C ATOM 172 CG LEU A 13 -1.615 -11.094 -2.116 1.00 45.54 C ATOM 173 CD1 LEU A 13 -0.739 -9.937 -1.659 1.00 53.13 C ATOM 174 CD2 LEU A 13 -0.796 -12.104 -2.906 1.00 71.35 C ATOM 0 H LEU A 13 -3.005 -12.869 1.209 1.00 44.23 H new ATOM 0 HA LEU A 13 -1.256 -13.654 -0.956 1.00 12.40 H new ATOM 0 HB2 LEU A 13 -3.234 -12.187 -1.247 1.00 34.13 H new ATOM 0 HB3 LEU A 13 -2.515 -10.999 -0.179 1.00 34.13 H new ATOM 0 HG LEU A 13 -2.394 -10.698 -2.767 1.00 45.54 H new ATOM 0 HD11 LEU A 13 -0.271 -9.471 -2.526 1.00 53.13 H new ATOM 0 HD12 LEU A 13 -1.351 -9.201 -1.137 1.00 53.13 H new ATOM 0 HD13 LEU A 13 0.033 -10.309 -0.986 1.00 53.13 H new ATOM 0 HD21 LEU A 13 -0.327 -11.607 -3.755 1.00 71.35 H new ATOM 0 HD22 LEU A 13 -0.025 -12.530 -2.264 1.00 71.35 H new ATOM 0 HD23 LEU A 13 -1.448 -12.900 -3.266 1.00 71.35 H new ATOM 186 N LEU A 14 0.048 -12.419 1.597 1.00 22.14 N ATOM 187 CA LEU A 14 1.269 -11.922 2.222 1.00 2.21 C ATOM 188 C LEU A 14 2.502 -12.393 1.458 1.00 44.31 C ATOM 189 O LEU A 14 3.554 -11.754 1.501 1.00 11.41 O ATOM 190 CB LEU A 14 1.348 -12.388 3.677 1.00 74.22 C ATOM 191 CG LEU A 14 2.614 -11.998 4.439 1.00 1.34 C ATOM 192 CD1 LEU A 14 2.699 -10.487 4.596 1.00 33.41 C ATOM 193 CD2 LEU A 14 2.649 -12.680 5.799 1.00 4.44 C ATOM 0 H LEU A 14 -0.611 -12.851 2.245 1.00 22.14 H new ATOM 0 HA LEU A 14 1.242 -10.833 2.197 1.00 2.21 H new ATOM 0 HB2 LEU A 14 0.488 -11.987 4.213 1.00 74.22 H new ATOM 0 HB3 LEU A 14 1.257 -13.474 3.695 1.00 74.22 H new ATOM 0 HG LEU A 14 3.478 -12.332 3.865 1.00 1.34 H new ATOM 0 HD11 LEU A 14 3.607 -10.228 5.141 1.00 33.41 H new ATOM 0 HD12 LEU A 14 2.721 -10.020 3.612 1.00 33.41 H new ATOM 0 HD13 LEU A 14 1.830 -10.129 5.148 1.00 33.41 H new ATOM 0 HD21 LEU A 14 3.557 -12.391 6.328 1.00 4.44 H new ATOM 0 HD22 LEU A 14 1.778 -12.377 6.381 1.00 4.44 H new ATOM 0 HD23 LEU A 14 2.636 -13.762 5.664 1.00 4.44 H new ATOM 205 N PHE A 15 2.366 -13.513 0.757 1.00 33.40 N ATOM 206 CA PHE A 15 3.468 -14.070 -0.018 1.00 44.54 C ATOM 207 C PHE A 15 2.977 -15.175 -0.948 1.00 34.22 C ATOM 208 O PHE A 15 1.786 -15.485 -0.985 1.00 73.13 O ATOM 209 CB PHE A 15 4.551 -14.616 0.915 1.00 61.05 C ATOM 210 CG PHE A 15 5.942 -14.201 0.527 1.00 13.01 C ATOM 211 CD1 PHE A 15 6.258 -12.862 0.360 1.00 71.33 C ATOM 212 CD2 PHE A 15 6.933 -15.149 0.331 1.00 74.23 C ATOM 213 CE1 PHE A 15 7.536 -12.478 0.002 1.00 5.14 C ATOM 214 CE2 PHE A 15 8.213 -14.771 -0.026 1.00 42.33 C ATOM 215 CZ PHE A 15 8.516 -13.433 -0.190 1.00 34.14 C ATOM 0 H PHE A 15 1.502 -14.054 0.710 1.00 33.40 H new ATOM 0 HA PHE A 15 3.891 -13.270 -0.626 1.00 44.54 H new ATOM 0 HB2 PHE A 15 4.349 -14.276 1.931 1.00 61.05 H new ATOM 0 HB3 PHE A 15 4.495 -15.705 0.926 1.00 61.05 H new ATOM 0 HD1 PHE A 15 5.497 -12.111 0.511 1.00 71.33 H new ATOM 0 HD2 PHE A 15 6.702 -16.196 0.459 1.00 74.23 H new ATOM 0 HE1 PHE A 15 7.769 -11.431 -0.128 1.00 5.14 H new ATOM 0 HE2 PHE A 15 8.976 -15.521 -0.177 1.00 42.33 H new ATOM 0 HZ PHE A 15 9.516 -13.134 -0.468 1.00 34.14 H new ATOM 225 N ARG A 16 3.902 -15.766 -1.697 1.00 1.24 N ATOM 226 CA ARG A 16 3.563 -16.836 -2.627 1.00 44.55 C ATOM 227 C ARG A 16 2.353 -16.455 -3.475 1.00 70.53 C ATOM 228 O ARG A 16 1.622 -17.322 -3.956 1.00 53.42 O ATOM 229 CB ARG A 16 3.280 -18.132 -1.866 1.00 53.15 C ATOM 230 CG ARG A 16 3.182 -19.355 -2.763 1.00 22.51 C ATOM 231 CD ARG A 16 1.964 -20.199 -2.423 1.00 32.51 C ATOM 232 NE ARG A 16 1.970 -21.479 -3.128 1.00 10.43 N ATOM 233 CZ ARG A 16 2.813 -22.467 -2.850 1.00 44.41 C ATOM 234 NH1 ARG A 16 3.714 -22.323 -1.887 1.00 74.33 N ATOM 235 NH2 ARG A 16 2.757 -23.601 -3.536 1.00 30.11 N ATOM 0 H ARG A 16 4.892 -15.522 -1.678 1.00 1.24 H new ATOM 0 HA ARG A 16 4.415 -16.992 -3.289 1.00 44.55 H new ATOM 0 HB2 ARG A 16 4.070 -18.292 -1.132 1.00 53.15 H new ATOM 0 HB3 ARG A 16 2.348 -18.022 -1.312 1.00 53.15 H new ATOM 0 HG2 ARG A 16 3.128 -19.040 -3.805 1.00 22.51 H new ATOM 0 HG3 ARG A 16 4.084 -19.958 -2.658 1.00 22.51 H new ATOM 0 HD2 ARG A 16 1.935 -20.377 -1.348 1.00 32.51 H new ATOM 0 HD3 ARG A 16 1.059 -19.649 -2.679 1.00 32.51 H new ATOM 0 HE ARG A 16 1.290 -21.621 -3.874 1.00 10.43 H new ATOM 0 HH11 ARG A 16 3.760 -21.452 -1.358 1.00 74.33 H new ATOM 0 HH12 ARG A 16 4.360 -23.083 -1.675 1.00 74.33 H new ATOM 0 HH21 ARG A 16 2.066 -23.715 -4.278 1.00 30.11 H new ATOM 0 HH22 ARG A 16 3.405 -24.359 -3.322 1.00 30.11 H new ATOM 249 N CYS A 17 2.147 -15.155 -3.654 1.00 42.11 N ATOM 250 CA CYS A 17 1.026 -14.659 -4.442 1.00 53.14 C ATOM 251 C CYS A 17 0.415 -15.777 -5.283 1.00 10.32 C ATOM 252 O CYS A 17 1.066 -16.324 -6.173 1.00 74.21 O ATOM 253 CB CYS A 17 1.480 -13.514 -5.350 1.00 12.34 C ATOM 254 SG CYS A 17 2.931 -13.910 -6.377 1.00 2.20 S ATOM 0 H CYS A 17 2.743 -14.425 -3.263 1.00 42.11 H new ATOM 0 HA CYS A 17 0.266 -14.289 -3.753 1.00 53.14 H new ATOM 0 HB2 CYS A 17 0.653 -13.232 -6.002 1.00 12.34 H new ATOM 0 HB3 CYS A 17 1.711 -12.645 -4.733 1.00 12.34 H new ATOM 259 N ARG A 18 -0.839 -16.110 -4.993 1.00 43.44 N ATOM 260 CA ARG A 18 -1.537 -17.162 -5.721 1.00 71.12 C ATOM 261 C ARG A 18 -1.800 -16.743 -7.165 1.00 4.13 C ATOM 262 O ARG A 18 -2.094 -17.578 -8.020 1.00 44.23 O ATOM 263 CB ARG A 18 -2.859 -17.500 -5.029 1.00 3.14 C ATOM 264 CG ARG A 18 -3.059 -16.772 -3.710 1.00 5.44 C ATOM 265 CD ARG A 18 -2.056 -17.230 -2.662 1.00 63.35 C ATOM 266 NE ARG A 18 -1.376 -18.461 -3.058 1.00 20.03 N ATOM 267 CZ ARG A 18 -1.851 -19.676 -2.807 1.00 52.04 C ATOM 268 NH1 ARG A 18 -3.003 -19.822 -2.166 1.00 45.03 N ATOM 269 NH2 ARG A 18 -1.174 -20.748 -3.199 1.00 35.10 N ATOM 0 H ARG A 18 -1.392 -15.666 -4.259 1.00 43.44 H new ATOM 0 HA ARG A 18 -0.901 -18.047 -5.728 1.00 71.12 H new ATOM 0 HB2 ARG A 18 -3.683 -17.254 -5.699 1.00 3.14 H new ATOM 0 HB3 ARG A 18 -2.902 -18.575 -4.851 1.00 3.14 H new ATOM 0 HG2 ARG A 18 -2.958 -15.698 -3.867 1.00 5.44 H new ATOM 0 HG3 ARG A 18 -4.072 -16.947 -3.347 1.00 5.44 H new ATOM 0 HD2 ARG A 18 -1.318 -16.445 -2.498 1.00 63.35 H new ATOM 0 HD3 ARG A 18 -2.569 -17.388 -1.713 1.00 63.35 H new ATOM 0 HE ARG A 18 -0.488 -18.383 -3.554 1.00 20.03 H new ATOM 0 HH11 ARG A 18 -3.527 -19.000 -1.864 1.00 45.03 H new ATOM 0 HH12 ARG A 18 -3.365 -20.756 -1.975 1.00 45.03 H new ATOM 0 HH21 ARG A 18 -0.288 -20.639 -3.693 1.00 35.10 H new ATOM 0 HH22 ARG A 18 -1.539 -21.681 -3.006 1.00 35.10 H new ATOM 283 N ARG A 19 -1.692 -15.445 -7.427 1.00 42.52 N ATOM 284 CA ARG A 19 -1.919 -14.914 -8.766 1.00 72.32 C ATOM 285 C ARG A 19 -2.056 -13.395 -8.733 1.00 41.13 C ATOM 286 O ARG A 19 -2.449 -12.819 -7.719 1.00 14.12 O ATOM 287 CB ARG A 19 -3.176 -15.537 -9.378 1.00 25.02 C ATOM 288 CG ARG A 19 -3.517 -14.991 -10.755 1.00 32.53 C ATOM 289 CD ARG A 19 -4.051 -16.083 -11.670 1.00 3.34 C ATOM 290 NE ARG A 19 -3.001 -17.009 -12.086 1.00 74.21 N ATOM 291 CZ ARG A 19 -3.208 -18.031 -12.909 1.00 62.31 C ATOM 292 NH1 ARG A 19 -4.418 -18.256 -13.401 1.00 70.44 N ATOM 293 NH2 ARG A 19 -2.202 -18.830 -13.242 1.00 30.55 N ATOM 0 H ARG A 19 -1.449 -14.741 -6.730 1.00 42.52 H new ATOM 0 HA ARG A 19 -1.057 -15.170 -9.382 1.00 72.32 H new ATOM 0 HB2 ARG A 19 -3.039 -16.616 -9.448 1.00 25.02 H new ATOM 0 HB3 ARG A 19 -4.019 -15.365 -8.709 1.00 25.02 H new ATOM 0 HG2 ARG A 19 -4.260 -14.199 -10.660 1.00 32.53 H new ATOM 0 HG3 ARG A 19 -2.629 -14.543 -11.201 1.00 32.53 H new ATOM 0 HD2 ARG A 19 -4.838 -16.634 -11.156 1.00 3.34 H new ATOM 0 HD3 ARG A 19 -4.504 -15.629 -12.551 1.00 3.34 H new ATOM 0 HE ARG A 19 -2.058 -16.863 -11.725 1.00 74.21 H new ATOM 0 HH11 ARG A 19 -5.193 -17.644 -13.148 1.00 70.44 H new ATOM 0 HH12 ARG A 19 -4.574 -19.042 -14.033 1.00 70.44 H new ATOM 0 HH21 ARG A 19 -1.269 -18.660 -12.866 1.00 30.55 H new ATOM 0 HH22 ARG A 19 -2.362 -19.615 -13.874 1.00 30.55 H new ATOM 307 N ASP A 20 -1.728 -12.752 -9.849 1.00 31.52 N ATOM 308 CA ASP A 20 -1.815 -11.300 -9.948 1.00 64.13 C ATOM 309 C ASP A 20 -3.167 -10.801 -9.450 1.00 54.02 C ATOM 310 O ASP A 20 -3.305 -9.644 -9.052 1.00 72.41 O ATOM 311 CB ASP A 20 -1.593 -10.852 -11.394 1.00 24.51 C ATOM 312 CG ASP A 20 -2.324 -11.730 -12.391 1.00 23.35 C ATOM 313 OD1 ASP A 20 -3.510 -12.039 -12.151 1.00 60.42 O ATOM 314 OD2 ASP A 20 -1.710 -12.108 -13.410 1.00 42.43 O ATOM 0 H ASP A 20 -1.400 -13.214 -10.697 1.00 31.52 H new ATOM 0 HA ASP A 20 -1.036 -10.870 -9.319 1.00 64.13 H new ATOM 0 HB2 ASP A 20 -1.929 -9.821 -11.508 1.00 24.51 H new ATOM 0 HB3 ASP A 20 -0.526 -10.866 -11.616 1.00 24.51 H new ATOM 319 N SER A 21 -4.163 -11.681 -9.477 1.00 14.24 N ATOM 320 CA SER A 21 -5.507 -11.328 -9.032 1.00 62.24 C ATOM 321 C SER A 21 -5.487 -10.815 -7.596 1.00 22.23 C ATOM 322 O SER A 21 -6.336 -10.018 -7.198 1.00 0.42 O ATOM 323 CB SER A 21 -6.437 -12.538 -9.141 1.00 62.11 C ATOM 324 OG SER A 21 -7.780 -12.175 -8.873 1.00 40.41 O ATOM 0 H SER A 21 -4.065 -12.643 -9.802 1.00 14.24 H new ATOM 0 HA SER A 21 -5.880 -10.533 -9.678 1.00 62.24 H new ATOM 0 HB2 SER A 21 -6.365 -12.967 -10.141 1.00 62.11 H new ATOM 0 HB3 SER A 21 -6.119 -13.309 -8.440 1.00 62.11 H new ATOM 0 HG SER A 21 -8.354 -12.965 -8.951 1.00 40.41 H new ATOM 330 N ASP A 22 -4.511 -11.279 -6.822 1.00 74.13 N ATOM 331 CA ASP A 22 -4.379 -10.868 -5.430 1.00 4.54 C ATOM 332 C ASP A 22 -3.732 -9.489 -5.330 1.00 35.35 C ATOM 333 O ASP A 22 -3.519 -8.970 -4.234 1.00 21.04 O ATOM 334 CB ASP A 22 -3.551 -11.890 -4.650 1.00 21.41 C ATOM 335 CG ASP A 22 -3.811 -13.313 -5.104 1.00 75.21 C ATOM 336 OD1 ASP A 22 -4.993 -13.716 -5.146 1.00 30.11 O ATOM 337 OD2 ASP A 22 -2.834 -14.023 -5.419 1.00 30.53 O ATOM 0 H ASP A 22 -3.800 -11.940 -7.136 1.00 74.13 H new ATOM 0 HA ASP A 22 -5.378 -10.814 -4.997 1.00 4.54 H new ATOM 0 HB2 ASP A 22 -2.492 -11.662 -4.768 1.00 21.41 H new ATOM 0 HB3 ASP A 22 -3.779 -11.803 -3.588 1.00 21.41 H new ATOM 342 N CYS A 23 -3.422 -8.902 -6.480 1.00 52.04 N ATOM 343 CA CYS A 23 -2.799 -7.585 -6.524 1.00 2.24 C ATOM 344 C CYS A 23 -3.526 -6.671 -7.505 1.00 54.33 C ATOM 345 O CYS A 23 -3.202 -6.608 -8.691 1.00 45.22 O ATOM 346 CB CYS A 23 -1.326 -7.707 -6.919 1.00 70.35 C ATOM 347 SG CYS A 23 -0.667 -9.402 -6.816 1.00 62.42 S ATOM 0 H CYS A 23 -3.592 -9.318 -7.396 1.00 52.04 H new ATOM 0 HA CYS A 23 -2.866 -7.146 -5.528 1.00 2.24 H new ATOM 0 HB2 CYS A 23 -1.203 -7.342 -7.939 1.00 70.35 H new ATOM 0 HB3 CYS A 23 -0.733 -7.058 -6.274 1.00 70.35 H new ATOM 0 HG CYS A 23 -0.743 -9.823 -5.588 1.00 62.42 H new ATOM 352 N PRO A 24 -4.535 -5.944 -7.001 1.00 22.21 N ATOM 353 CA PRO A 24 -5.329 -5.020 -7.815 1.00 50.34 C ATOM 354 C PRO A 24 -4.531 -3.794 -8.245 1.00 41.52 C ATOM 355 O PRO A 24 -4.500 -3.443 -9.424 1.00 14.41 O ATOM 356 CB PRO A 24 -6.471 -4.614 -6.880 1.00 5.42 C ATOM 357 CG PRO A 24 -5.921 -4.802 -5.508 1.00 11.10 C ATOM 358 CD PRO A 24 -4.977 -5.969 -5.597 1.00 10.04 C ATOM 0 HA PRO A 24 -5.664 -5.481 -8.744 1.00 50.34 H new ATOM 0 HB2 PRO A 24 -6.772 -3.580 -7.048 1.00 5.42 H new ATOM 0 HB3 PRO A 24 -7.354 -5.233 -7.041 1.00 5.42 H new ATOM 0 HG2 PRO A 24 -5.402 -3.905 -5.169 1.00 11.10 H new ATOM 0 HG3 PRO A 24 -6.718 -4.999 -4.791 1.00 11.10 H new ATOM 0 HD2 PRO A 24 -4.138 -5.860 -4.910 1.00 10.04 H new ATOM 0 HD3 PRO A 24 -5.473 -6.907 -5.349 1.00 10.04 H new ATOM 366 N GLY A 25 -3.885 -3.145 -7.281 1.00 21.34 N ATOM 367 CA GLY A 25 -3.095 -1.965 -7.580 1.00 61.30 C ATOM 368 C GLY A 25 -1.951 -2.259 -8.530 1.00 21.30 C ATOM 369 O GLY A 25 -1.914 -3.316 -9.159 1.00 61.14 O ATOM 0 H GLY A 25 -3.895 -3.416 -6.298 1.00 21.34 H new ATOM 0 HA2 GLY A 25 -3.739 -1.202 -8.017 1.00 61.30 H new ATOM 0 HA3 GLY A 25 -2.697 -1.554 -6.653 1.00 61.30 H new ATOM 373 N ALA A 26 -1.015 -1.321 -8.635 1.00 74.23 N ATOM 374 CA ALA A 26 0.135 -1.485 -9.515 1.00 61.12 C ATOM 375 C ALA A 26 0.838 -2.814 -9.258 1.00 53.13 C ATOM 376 O ALA A 26 1.139 -3.559 -10.191 1.00 44.02 O ATOM 377 CB ALA A 26 1.107 -0.328 -9.334 1.00 71.43 C ATOM 0 H ALA A 26 -1.031 -0.440 -8.121 1.00 74.23 H new ATOM 0 HA ALA A 26 -0.224 -1.487 -10.544 1.00 61.12 H new ATOM 0 HB1 ALA A 26 1.961 -0.463 -9.997 1.00 71.43 H new ATOM 0 HB2 ALA A 26 0.606 0.609 -9.575 1.00 71.43 H new ATOM 0 HB3 ALA A 26 1.451 -0.300 -8.300 1.00 71.43 H new ATOM 383 N CYS A 27 1.097 -3.105 -7.988 1.00 34.20 N ATOM 384 CA CYS A 27 1.765 -4.344 -7.608 1.00 0.33 C ATOM 385 C CYS A 27 1.149 -5.538 -8.331 1.00 23.23 C ATOM 386 O CYS A 27 -0.011 -5.498 -8.740 1.00 52.13 O ATOM 387 CB CYS A 27 1.679 -4.550 -6.094 1.00 63.22 C ATOM 388 SG CYS A 27 0.069 -4.098 -5.372 1.00 70.52 S ATOM 0 H CYS A 27 0.854 -2.499 -7.204 1.00 34.20 H new ATOM 0 HA CYS A 27 2.813 -4.267 -7.899 1.00 0.33 H new ATOM 0 HB2 CYS A 27 1.885 -5.596 -5.868 1.00 63.22 H new ATOM 0 HB3 CYS A 27 2.459 -3.960 -5.613 1.00 63.22 H new ATOM 393 N ILE A 28 1.935 -6.599 -8.483 1.00 75.23 N ATOM 394 CA ILE A 28 1.466 -7.805 -9.155 1.00 64.11 C ATOM 395 C ILE A 28 2.219 -9.036 -8.662 1.00 73.40 C ATOM 396 O ILE A 28 3.305 -8.927 -8.093 1.00 21.14 O ATOM 397 CB ILE A 28 1.627 -7.697 -10.683 1.00 43.20 C ATOM 398 CG1 ILE A 28 3.037 -7.217 -11.037 1.00 34.44 C ATOM 399 CG2 ILE A 28 0.581 -6.755 -11.260 1.00 42.03 C ATOM 400 CD1 ILE A 28 3.272 -7.079 -12.524 1.00 42.04 C ATOM 0 H ILE A 28 2.898 -6.648 -8.150 1.00 75.23 H new ATOM 0 HA ILE A 28 0.408 -7.909 -8.916 1.00 64.11 H new ATOM 0 HB ILE A 28 1.479 -8.685 -11.120 1.00 43.20 H new ATOM 0 HG12 ILE A 28 3.215 -6.254 -10.558 1.00 34.44 H new ATOM 0 HG13 ILE A 28 3.764 -7.917 -10.626 1.00 34.44 H new ATOM 0 HG21 ILE A 28 0.707 -6.689 -12.341 1.00 42.03 H new ATOM 0 HG22 ILE A 28 -0.415 -7.135 -11.034 1.00 42.03 H new ATOM 0 HG23 ILE A 28 0.700 -5.765 -10.820 1.00 42.03 H new ATOM 0 HD11 ILE A 28 4.291 -6.735 -12.701 1.00 42.04 H new ATOM 0 HD12 ILE A 28 3.126 -8.045 -13.007 1.00 42.04 H new ATOM 0 HD13 ILE A 28 2.568 -6.357 -12.938 1.00 42.04 H new ATOM 412 N CYS A 29 1.635 -10.209 -8.886 1.00 12.21 N ATOM 413 CA CYS A 29 2.249 -11.462 -8.466 1.00 64.42 C ATOM 414 C CYS A 29 3.377 -11.860 -9.415 1.00 10.44 C ATOM 415 O CYS A 29 3.131 -12.295 -10.540 1.00 23.14 O ATOM 416 CB CYS A 29 1.201 -12.575 -8.409 1.00 54.21 C ATOM 417 SG CYS A 29 1.902 -14.254 -8.324 1.00 13.05 S ATOM 0 H CYS A 29 0.736 -10.317 -9.357 1.00 12.21 H new ATOM 0 HA CYS A 29 2.668 -11.316 -7.471 1.00 64.42 H new ATOM 0 HB2 CYS A 29 0.564 -12.415 -7.539 1.00 54.21 H new ATOM 0 HB3 CYS A 29 0.563 -12.504 -9.290 1.00 54.21 H new ATOM 422 N ARG A 30 4.613 -11.706 -8.952 1.00 24.42 N ATOM 423 CA ARG A 30 5.779 -12.048 -9.758 1.00 52.14 C ATOM 424 C ARG A 30 6.547 -13.212 -9.139 1.00 12.34 C ATOM 425 O ARG A 30 6.198 -13.696 -8.063 1.00 23.02 O ATOM 426 CB ARG A 30 6.699 -10.835 -9.902 1.00 43.43 C ATOM 427 CG ARG A 30 6.178 -9.589 -9.205 1.00 2.40 C ATOM 428 CD ARG A 30 6.887 -9.354 -7.880 1.00 33.30 C ATOM 429 NE ARG A 30 7.657 -8.114 -7.883 1.00 41.42 N ATOM 430 CZ ARG A 30 8.916 -8.032 -8.298 1.00 5.44 C ATOM 431 NH1 ARG A 30 9.544 -9.112 -8.740 1.00 72.54 N ATOM 432 NH2 ARG A 30 9.551 -6.866 -8.270 1.00 73.51 N ATOM 0 H ARG A 30 4.833 -11.347 -8.023 1.00 24.42 H new ATOM 0 HA ARG A 30 5.430 -12.351 -10.745 1.00 52.14 H new ATOM 0 HB2 ARG A 30 7.680 -11.084 -9.498 1.00 43.43 H new ATOM 0 HB3 ARG A 30 6.837 -10.618 -10.961 1.00 43.43 H new ATOM 0 HG2 ARG A 30 6.318 -8.723 -9.852 1.00 2.40 H new ATOM 0 HG3 ARG A 30 5.106 -9.688 -9.033 1.00 2.40 H new ATOM 0 HD2 ARG A 30 6.151 -9.322 -7.076 1.00 33.30 H new ATOM 0 HD3 ARG A 30 7.551 -10.192 -7.671 1.00 33.30 H new ATOM 0 HE ARG A 30 7.203 -7.264 -7.548 1.00 41.42 H new ATOM 0 HH11 ARG A 30 9.060 -10.010 -8.762 1.00 72.54 H new ATOM 0 HH12 ARG A 30 10.511 -9.045 -9.058 1.00 72.54 H new ATOM 0 HH21 ARG A 30 9.072 -6.032 -7.930 1.00 73.51 H new ATOM 0 HH22 ARG A 30 10.518 -6.804 -8.589 1.00 73.51 H new ATOM 446 N GLY A 31 7.594 -13.656 -9.827 1.00 23.35 N ATOM 447 CA GLY A 31 8.395 -14.760 -9.329 1.00 15.23 C ATOM 448 C GLY A 31 8.964 -14.487 -7.951 1.00 23.53 C ATOM 449 O GLY A 31 9.386 -15.409 -7.253 1.00 14.21 O ATOM 0 H GLY A 31 7.902 -13.271 -10.720 1.00 23.35 H new ATOM 0 HA2 GLY A 31 7.784 -15.662 -9.294 1.00 15.23 H new ATOM 0 HA3 GLY A 31 9.212 -14.955 -10.024 1.00 15.23 H new ATOM 453 N ASN A 32 8.979 -13.218 -7.559 1.00 11.45 N ATOM 454 CA ASN A 32 9.504 -12.826 -6.255 1.00 72.23 C ATOM 455 C ASN A 32 8.802 -13.588 -5.135 1.00 51.21 C ATOM 456 O ASN A 32 9.255 -13.588 -3.992 1.00 25.35 O ATOM 457 CB ASN A 32 9.336 -11.320 -6.046 1.00 52.12 C ATOM 458 CG ASN A 32 8.191 -10.991 -5.108 1.00 1.54 C ATOM 459 OD1 ASN A 32 7.078 -10.699 -5.546 1.00 45.42 O ATOM 460 ND2 ASN A 32 8.460 -11.036 -3.808 1.00 21.00 N ATOM 0 H ASN A 32 8.634 -12.443 -8.125 1.00 11.45 H new ATOM 0 HA ASN A 32 10.565 -13.073 -6.229 1.00 72.23 H new ATOM 0 HB2 ASN A 32 10.261 -10.906 -5.645 1.00 52.12 H new ATOM 0 HB3 ASN A 32 9.163 -10.839 -7.009 1.00 52.12 H new ATOM 0 HD21 ASN A 32 7.730 -10.824 -3.128 1.00 21.00 H new ATOM 0 HD22 ASN A 32 9.397 -11.283 -3.489 1.00 21.00 H new ATOM 467 N GLY A 33 7.692 -14.237 -5.473 1.00 54.31 N ATOM 468 CA GLY A 33 6.945 -14.994 -4.485 1.00 40.24 C ATOM 469 C GLY A 33 5.963 -14.133 -3.716 1.00 51.11 C ATOM 470 O GLY A 33 5.751 -14.338 -2.521 1.00 10.34 O ATOM 0 H GLY A 33 7.297 -14.252 -6.413 1.00 54.31 H new ATOM 0 HA2 GLY A 33 6.405 -15.800 -4.982 1.00 40.24 H new ATOM 0 HA3 GLY A 33 7.640 -15.459 -3.786 1.00 40.24 H new ATOM 474 N TYR A 34 5.363 -13.166 -4.402 1.00 30.15 N ATOM 475 CA TYR A 34 4.401 -12.268 -3.774 1.00 31.00 C ATOM 476 C TYR A 34 3.953 -11.183 -4.748 1.00 41.51 C ATOM 477 O TYR A 34 4.593 -10.949 -5.774 1.00 23.42 O ATOM 478 CB TYR A 34 5.009 -11.628 -2.524 1.00 75.44 C ATOM 479 CG TYR A 34 4.220 -10.448 -2.004 1.00 43.54 C ATOM 480 CD1 TYR A 34 3.123 -10.631 -1.172 1.00 23.41 C ATOM 481 CD2 TYR A 34 4.574 -9.147 -2.345 1.00 75.50 C ATOM 482 CE1 TYR A 34 2.400 -9.555 -0.695 1.00 60.33 C ATOM 483 CE2 TYR A 34 3.857 -8.065 -1.872 1.00 31.32 C ATOM 484 CZ TYR A 34 2.771 -8.274 -1.048 1.00 32.43 C ATOM 485 OH TYR A 34 2.054 -7.200 -0.574 1.00 13.22 O ATOM 0 H TYR A 34 5.526 -12.984 -5.392 1.00 30.15 H new ATOM 0 HA TYR A 34 3.529 -12.855 -3.486 1.00 31.00 H new ATOM 0 HB2 TYR A 34 5.081 -12.381 -1.739 1.00 75.44 H new ATOM 0 HB3 TYR A 34 6.025 -11.304 -2.749 1.00 75.44 H new ATOM 0 HD1 TYR A 34 2.830 -11.632 -0.893 1.00 23.41 H new ATOM 0 HD2 TYR A 34 5.424 -8.980 -2.990 1.00 75.50 H new ATOM 0 HE1 TYR A 34 1.549 -9.716 -0.049 1.00 60.33 H new ATOM 0 HE2 TYR A 34 4.145 -7.061 -2.146 1.00 31.32 H new ATOM 0 HH TYR A 34 1.531 -6.808 -1.304 1.00 13.22 H new ATOM 495 N CYS A 35 2.849 -10.521 -4.419 1.00 51.41 N ATOM 496 CA CYS A 35 2.313 -9.459 -5.263 1.00 22.14 C ATOM 497 C CYS A 35 3.222 -8.234 -5.238 1.00 1.52 C ATOM 498 O CYS A 35 2.866 -7.195 -4.683 1.00 42.31 O ATOM 499 CB CYS A 35 0.906 -9.074 -4.801 1.00 42.44 C ATOM 500 SG CYS A 35 -0.431 -9.885 -5.735 1.00 42.05 S ATOM 0 H CYS A 35 2.308 -10.701 -3.574 1.00 51.41 H new ATOM 0 HA CYS A 35 2.263 -9.831 -6.286 1.00 22.14 H new ATOM 0 HB2 CYS A 35 0.801 -9.324 -3.745 1.00 42.44 H new ATOM 0 HB3 CYS A 35 0.790 -7.993 -4.886 1.00 42.44 H new ATOM 0 HG CYS A 35 -0.336 -9.569 -6.992 1.00 42.05 H new ATOM 505 N GLY A 36 4.399 -8.364 -5.844 1.00 14.43 N ATOM 506 CA GLY A 36 5.340 -7.260 -5.880 1.00 3.01 C ATOM 507 C GLY A 36 5.113 -6.342 -7.065 1.00 33.24 C ATOM 508 O GLY A 36 4.819 -6.803 -8.168 1.00 1.13 O ATOM 0 H GLY A 36 4.717 -9.214 -6.310 1.00 14.43 H new ATOM 0 HA2 GLY A 36 5.256 -6.685 -4.958 1.00 3.01 H new ATOM 0 HA3 GLY A 36 6.356 -7.654 -5.919 1.00 3.01 H new TER 512 GLY A 36