USER MOD reduce.3.24.130724 H: found=0, std=0, add=251, rem=0, adj=5 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 5 ASN :FLIP amide:sc= -0.421 F(o=-1.4,f=-0.42) USER MOD Set 1.2: A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -4.97 K(o=-5,f=-12!) USER MOD Single : A 34 TYR OH : rot 180:sc= -1.08 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -0.970 -0.802 -0.661 1.00 61.41 N ATOM 2 CA GLY A 1 -1.260 0.552 -1.095 1.00 23.12 C ATOM 3 C GLY A 1 -0.673 0.862 -2.458 1.00 15.22 C ATOM 4 O GLY A 1 0.111 1.800 -2.606 1.00 20.33 O ATOM 0 H1 GLY A 1 -1.392 -0.964 0.275 1.00 61.41 H new ATOM 0 H2 GLY A 1 -1.369 -1.478 -1.343 1.00 61.41 H new ATOM 0 H3 GLY A 1 0.060 -0.935 -0.604 1.00 61.41 H new ATOM 0 HA2 GLY A 1 -2.340 0.697 -1.126 1.00 23.12 H new ATOM 0 HA3 GLY A 1 -0.865 1.257 -0.364 1.00 23.12 H new ATOM 8 N CYS A 2 -1.053 0.073 -3.457 1.00 22.51 N ATOM 9 CA CYS A 2 -0.558 0.265 -4.815 1.00 13.43 C ATOM 10 C CYS A 2 -1.616 0.932 -5.689 1.00 74.24 C ATOM 11 O CYS A 2 -1.783 0.578 -6.857 1.00 54.31 O ATOM 12 CB CYS A 2 -0.147 -1.076 -5.425 1.00 41.34 C ATOM 13 SG CYS A 2 0.645 -2.217 -4.247 1.00 71.42 S ATOM 0 H CYS A 2 -1.703 -0.706 -3.352 1.00 22.51 H new ATOM 0 HA CYS A 2 0.314 0.917 -4.769 1.00 13.43 H new ATOM 0 HB2 CYS A 2 -1.030 -1.558 -5.844 1.00 41.34 H new ATOM 0 HB3 CYS A 2 0.538 -0.892 -6.253 1.00 41.34 H new ATOM 18 N ILE A 3 -2.327 1.897 -5.116 1.00 75.13 N ATOM 19 CA ILE A 3 -3.368 2.613 -5.844 1.00 2.33 C ATOM 20 C ILE A 3 -4.511 1.680 -6.230 1.00 5.32 C ATOM 21 O ILE A 3 -4.346 0.792 -7.067 1.00 44.00 O ATOM 22 CB ILE A 3 -2.810 3.277 -7.116 1.00 44.14 C ATOM 23 CG1 ILE A 3 -1.535 4.059 -6.793 1.00 1.11 C ATOM 24 CG2 ILE A 3 -3.855 4.191 -7.739 1.00 24.00 C ATOM 25 CD1 ILE A 3 -0.267 3.343 -7.201 1.00 63.13 C ATOM 0 H ILE A 3 -2.202 2.201 -4.151 1.00 75.13 H new ATOM 0 HA ILE A 3 -3.745 3.387 -5.175 1.00 2.33 H new ATOM 0 HB ILE A 3 -2.562 2.497 -7.836 1.00 44.14 H new ATOM 0 HG12 ILE A 3 -1.574 5.026 -7.295 1.00 1.11 H new ATOM 0 HG13 ILE A 3 -1.502 4.257 -5.722 1.00 1.11 H new ATOM 0 HG21 ILE A 3 -3.445 4.653 -8.637 1.00 24.00 H new ATOM 0 HG22 ILE A 3 -4.738 3.608 -8.001 1.00 24.00 H new ATOM 0 HG23 ILE A 3 -4.131 4.967 -7.025 1.00 24.00 H new ATOM 0 HD11 ILE A 3 0.596 3.956 -6.942 1.00 63.13 H new ATOM 0 HD12 ILE A 3 -0.204 2.388 -6.679 1.00 63.13 H new ATOM 0 HD13 ILE A 3 -0.278 3.168 -8.277 1.00 63.13 H new ATOM 37 N LEU A 4 -5.670 1.889 -5.616 1.00 30.31 N ATOM 38 CA LEU A 4 -6.843 1.067 -5.896 1.00 44.43 C ATOM 39 C LEU A 4 -6.614 -0.376 -5.459 1.00 41.10 C ATOM 40 O LEU A 4 -6.078 -1.186 -6.214 1.00 4.21 O ATOM 41 CB LEU A 4 -7.177 1.113 -7.388 1.00 42.44 C ATOM 42 CG LEU A 4 -8.499 1.786 -7.760 1.00 3.43 C ATOM 43 CD1 LEU A 4 -9.675 0.984 -7.225 1.00 62.03 C ATOM 44 CD2 LEU A 4 -8.539 3.212 -7.230 1.00 4.24 C ATOM 0 H LEU A 4 -5.823 2.620 -4.921 1.00 30.31 H new ATOM 0 HA LEU A 4 -7.682 1.470 -5.329 1.00 44.43 H new ATOM 0 HB2 LEU A 4 -6.370 1.633 -7.905 1.00 42.44 H new ATOM 0 HB3 LEU A 4 -7.193 0.091 -7.768 1.00 42.44 H new ATOM 0 HG LEU A 4 -8.574 1.821 -8.847 1.00 3.43 H new ATOM 0 HD11 LEU A 4 -10.607 1.478 -7.499 1.00 62.03 H new ATOM 0 HD12 LEU A 4 -9.656 -0.019 -7.652 1.00 62.03 H new ATOM 0 HD13 LEU A 4 -9.606 0.917 -6.139 1.00 62.03 H new ATOM 0 HD21 LEU A 4 -9.487 3.676 -7.504 1.00 4.24 H new ATOM 0 HD22 LEU A 4 -8.442 3.200 -6.144 1.00 4.24 H new ATOM 0 HD23 LEU A 4 -7.717 3.784 -7.661 1.00 4.24 H new ATOM 56 N ASN A 5 -7.027 -0.690 -4.235 1.00 65.54 N ATOM 57 CA ASN A 5 -6.868 -2.037 -3.698 1.00 10.10 C ATOM 58 C ASN A 5 -7.439 -2.130 -2.286 1.00 53.13 C ATOM 59 O ASN A 5 -7.955 -1.151 -1.748 1.00 72.24 O ATOM 60 CB ASN A 5 -5.391 -2.435 -3.690 1.00 4.44 C ATOM 61 CG ASN A 5 -4.511 -1.378 -3.049 1.00 32.33 C ATOM 62 OD1 ASN A 5 -4.023 -0.445 -3.857 1.00 2.31 O flip ATOM 63 ND2 ASN A 5 -4.274 -1.402 -1.841 1.00 54.42 N flip ATOM 0 H ASN A 5 -7.474 -0.031 -3.597 1.00 65.54 H new ATOM 0 HA ASN A 5 -7.419 -2.724 -4.340 1.00 10.10 H new ATOM 0 HB2 ASN A 5 -5.274 -3.376 -3.153 1.00 4.44 H new ATOM 0 HB3 ASN A 5 -5.059 -2.609 -4.713 1.00 4.44 H new ATOM 0 HD21 ASN A 5 -4.671 -2.139 -1.258 1.00 54.42 H new ATOM 0 HD22 ASN A 5 -3.681 -0.685 -1.423 1.00 54.42 H new ATOM 70 N GLY A 6 -7.342 -3.315 -1.691 1.00 74.13 N ATOM 71 CA GLY A 6 -7.853 -3.514 -0.348 1.00 21.45 C ATOM 72 C GLY A 6 -7.453 -4.857 0.231 1.00 34.22 C ATOM 73 O GLY A 6 -7.231 -4.980 1.436 1.00 73.11 O ATOM 0 H GLY A 6 -6.919 -4.140 -2.115 1.00 74.13 H new ATOM 0 HA2 GLY A 6 -7.484 -2.718 0.299 1.00 21.45 H new ATOM 0 HA3 GLY A 6 -8.940 -3.437 -0.361 1.00 21.45 H new ATOM 77 N ARG A 7 -7.363 -5.867 -0.628 1.00 74.01 N ATOM 78 CA ARG A 7 -6.991 -7.208 -0.195 1.00 31.34 C ATOM 79 C ARG A 7 -5.475 -7.377 -0.192 1.00 25.23 C ATOM 80 O ARG A 7 -4.949 -8.362 0.328 1.00 71.40 O ATOM 81 CB ARG A 7 -7.630 -8.258 -1.106 1.00 51.30 C ATOM 82 CG ARG A 7 -8.998 -8.722 -0.634 1.00 54.03 C ATOM 83 CD ARG A 7 -9.222 -10.195 -0.938 1.00 21.22 C ATOM 84 NE ARG A 7 -9.742 -10.403 -2.287 1.00 21.45 N ATOM 85 CZ ARG A 7 -10.142 -11.584 -2.746 1.00 14.23 C ATOM 86 NH1 ARG A 7 -10.083 -12.656 -1.968 1.00 72.11 N ATOM 87 NH2 ARG A 7 -10.604 -11.693 -3.985 1.00 23.20 N ATOM 0 H ARG A 7 -7.543 -5.782 -1.628 1.00 74.01 H new ATOM 0 HA ARG A 7 -7.357 -7.348 0.822 1.00 31.34 H new ATOM 0 HB2 ARG A 7 -7.722 -7.847 -2.111 1.00 51.30 H new ATOM 0 HB3 ARG A 7 -6.967 -9.120 -1.174 1.00 51.30 H new ATOM 0 HG2 ARG A 7 -9.091 -8.553 0.439 1.00 54.03 H new ATOM 0 HG3 ARG A 7 -9.772 -8.127 -1.119 1.00 54.03 H new ATOM 0 HD2 ARG A 7 -8.282 -10.735 -0.825 1.00 21.22 H new ATOM 0 HD3 ARG A 7 -9.920 -10.613 -0.212 1.00 21.22 H new ATOM 0 HE ARG A 7 -9.801 -9.598 -2.911 1.00 21.45 H new ATOM 0 HH11 ARG A 7 -9.730 -12.575 -1.014 1.00 72.11 H new ATOM 0 HH12 ARG A 7 -10.391 -13.561 -2.323 1.00 72.11 H new ATOM 0 HH21 ARG A 7 -10.652 -10.870 -4.586 1.00 23.20 H new ATOM 0 HH22 ARG A 7 -10.911 -12.600 -4.337 1.00 23.20 H new ATOM 101 N THR A 8 -4.775 -6.409 -0.776 1.00 72.55 N ATOM 102 CA THR A 8 -3.320 -6.451 -0.843 1.00 61.41 C ATOM 103 C THR A 8 -2.718 -6.829 0.506 1.00 74.43 C ATOM 104 O THR A 8 -3.188 -6.383 1.552 1.00 2.45 O ATOM 105 CB THR A 8 -2.739 -5.097 -1.290 1.00 43.21 C ATOM 106 OG1 THR A 8 -3.193 -4.057 -0.417 1.00 53.32 O ATOM 107 CG2 THR A 8 -3.146 -4.779 -2.721 1.00 2.11 C ATOM 0 H THR A 8 -5.193 -5.586 -1.210 1.00 72.55 H new ATOM 0 HA THR A 8 -3.060 -7.211 -1.580 1.00 61.41 H new ATOM 0 HB THR A 8 -1.652 -5.160 -1.244 1.00 43.21 H new ATOM 0 HG1 THR A 8 -2.818 -3.199 -0.707 1.00 53.32 H new ATOM 0 HG21 THR A 8 -2.724 -3.818 -3.014 1.00 2.11 H new ATOM 0 HG22 THR A 8 -2.773 -5.557 -3.387 1.00 2.11 H new ATOM 0 HG23 THR A 8 -4.233 -4.734 -2.789 1.00 2.11 H new ATOM 115 N ASP A 9 -1.677 -7.654 0.474 1.00 54.14 N ATOM 116 CA ASP A 9 -1.010 -8.091 1.695 1.00 51.35 C ATOM 117 C ASP A 9 -2.005 -8.730 2.658 1.00 23.14 C ATOM 118 O ASP A 9 -2.621 -8.045 3.476 1.00 74.43 O ATOM 119 CB ASP A 9 -0.313 -6.909 2.371 1.00 70.12 C ATOM 120 CG ASP A 9 0.474 -7.326 3.597 1.00 24.33 C ATOM 121 OD1 ASP A 9 0.807 -8.525 3.709 1.00 13.42 O ATOM 122 OD2 ASP A 9 0.758 -6.454 4.446 1.00 73.52 O ATOM 0 H ASP A 9 -1.277 -8.033 -0.384 1.00 54.14 H new ATOM 0 HA ASP A 9 -0.263 -8.837 1.425 1.00 51.35 H new ATOM 0 HB2 ASP A 9 0.358 -6.430 1.658 1.00 70.12 H new ATOM 0 HB3 ASP A 9 -1.058 -6.166 2.656 1.00 70.12 H new ATOM 127 N LEU A 10 -2.157 -10.046 2.557 1.00 44.12 N ATOM 128 CA LEU A 10 -3.077 -10.779 3.419 1.00 15.50 C ATOM 129 C LEU A 10 -2.395 -11.995 4.036 1.00 63.12 C ATOM 130 O LEU A 10 -1.199 -12.212 3.844 1.00 30.23 O ATOM 131 CB LEU A 10 -4.309 -11.218 2.626 1.00 73.42 C ATOM 132 CG LEU A 10 -5.651 -11.104 3.351 1.00 44.11 C ATOM 133 CD1 LEU A 10 -6.404 -9.867 2.888 1.00 42.52 C ATOM 134 CD2 LEU A 10 -6.487 -12.355 3.126 1.00 70.01 C ATOM 0 H LEU A 10 -1.655 -10.627 1.886 1.00 44.12 H new ATOM 0 HA LEU A 10 -3.389 -10.114 4.224 1.00 15.50 H new ATOM 0 HB2 LEU A 10 -4.360 -10.623 1.714 1.00 73.42 H new ATOM 0 HB3 LEU A 10 -4.170 -12.256 2.322 1.00 73.42 H new ATOM 0 HG LEU A 10 -5.458 -11.008 4.419 1.00 44.11 H new ATOM 0 HD11 LEU A 10 -7.356 -9.802 3.414 1.00 42.52 H new ATOM 0 HD12 LEU A 10 -5.810 -8.978 3.102 1.00 42.52 H new ATOM 0 HD13 LEU A 10 -6.586 -9.932 1.815 1.00 42.52 H new ATOM 0 HD21 LEU A 10 -7.438 -12.256 3.649 1.00 70.01 H new ATOM 0 HD22 LEU A 10 -6.671 -12.483 2.059 1.00 70.01 H new ATOM 0 HD23 LEU A 10 -5.951 -13.224 3.508 1.00 70.01 H new ATOM 146 N GLY A 11 -3.164 -12.788 4.776 1.00 12.51 N ATOM 147 CA GLY A 11 -2.617 -13.974 5.408 1.00 43.31 C ATOM 148 C GLY A 11 -1.803 -14.819 4.448 1.00 53.12 C ATOM 149 O GLY A 11 -0.591 -14.639 4.323 1.00 55.55 O ATOM 0 H GLY A 11 -4.157 -12.630 4.949 1.00 12.51 H new ATOM 0 HA2 GLY A 11 -1.989 -13.677 6.248 1.00 43.31 H new ATOM 0 HA3 GLY A 11 -3.431 -14.574 5.815 1.00 43.31 H new ATOM 153 N THR A 12 -2.470 -15.747 3.768 1.00 42.21 N ATOM 154 CA THR A 12 -1.801 -16.625 2.816 1.00 21.25 C ATOM 155 C THR A 12 -1.216 -15.832 1.653 1.00 31.33 C ATOM 156 O THR A 12 -0.175 -16.194 1.104 1.00 43.45 O ATOM 157 CB THR A 12 -2.765 -17.692 2.263 1.00 43.41 C ATOM 158 OG1 THR A 12 -3.992 -17.078 1.853 1.00 2.44 O ATOM 159 CG2 THR A 12 -3.050 -18.759 3.309 1.00 10.50 C ATOM 0 H THR A 12 -3.473 -15.910 3.859 1.00 42.21 H new ATOM 0 HA THR A 12 -0.994 -17.120 3.356 1.00 21.25 H new ATOM 0 HB THR A 12 -2.292 -18.167 1.403 1.00 43.41 H new ATOM 0 HG1 THR A 12 -4.599 -17.762 1.501 1.00 2.44 H new ATOM 0 HG21 THR A 12 -3.733 -19.501 2.895 1.00 10.50 H new ATOM 0 HG22 THR A 12 -2.118 -19.245 3.597 1.00 10.50 H new ATOM 0 HG23 THR A 12 -3.504 -18.297 4.186 1.00 10.50 H new ATOM 167 N LEU A 13 -1.891 -14.750 1.283 1.00 50.31 N ATOM 168 CA LEU A 13 -1.437 -13.904 0.184 1.00 13.02 C ATOM 169 C LEU A 13 -0.123 -13.214 0.535 1.00 50.00 C ATOM 170 O LEU A 13 0.557 -12.670 -0.336 1.00 51.02 O ATOM 171 CB LEU A 13 -2.501 -12.858 -0.153 1.00 74.24 C ATOM 172 CG LEU A 13 -2.429 -12.256 -1.557 1.00 73.22 C ATOM 173 CD1 LEU A 13 -3.772 -11.662 -1.953 1.00 11.23 C ATOM 174 CD2 LEU A 13 -1.335 -11.201 -1.630 1.00 21.34 C ATOM 0 H LEU A 13 -2.754 -14.437 1.727 1.00 50.31 H new ATOM 0 HA LEU A 13 -1.271 -14.539 -0.686 1.00 13.02 H new ATOM 0 HB2 LEU A 13 -3.483 -13.313 -0.024 1.00 74.24 H new ATOM 0 HB3 LEU A 13 -2.428 -12.048 0.572 1.00 74.24 H new ATOM 0 HG LEU A 13 -2.185 -13.052 -2.260 1.00 73.22 H new ATOM 0 HD11 LEU A 13 -3.701 -11.238 -2.955 1.00 11.23 H new ATOM 0 HD12 LEU A 13 -4.533 -12.443 -1.942 1.00 11.23 H new ATOM 0 HD13 LEU A 13 -4.046 -10.879 -1.246 1.00 11.23 H new ATOM 0 HD21 LEU A 13 -1.298 -10.784 -2.636 1.00 21.34 H new ATOM 0 HD22 LEU A 13 -1.548 -10.406 -0.915 1.00 21.34 H new ATOM 0 HD23 LEU A 13 -0.374 -11.656 -1.391 1.00 21.34 H new ATOM 186 N LEU A 14 0.230 -13.242 1.815 1.00 2.33 N ATOM 187 CA LEU A 14 1.465 -12.621 2.282 1.00 41.31 C ATOM 188 C LEU A 14 2.626 -12.949 1.349 1.00 61.23 C ATOM 189 O LEU A 14 3.557 -12.158 1.196 1.00 54.40 O ATOM 190 CB LEU A 14 1.789 -13.088 3.702 1.00 62.01 C ATOM 191 CG LEU A 14 3.059 -12.508 4.326 1.00 12.21 C ATOM 192 CD1 LEU A 14 2.764 -11.174 4.994 1.00 14.11 C ATOM 193 CD2 LEU A 14 3.657 -13.487 5.326 1.00 13.43 C ATOM 0 H LEU A 14 -0.321 -13.688 2.548 1.00 2.33 H new ATOM 0 HA LEU A 14 1.320 -11.541 2.286 1.00 41.31 H new ATOM 0 HB2 LEU A 14 0.946 -12.839 4.346 1.00 62.01 H new ATOM 0 HB3 LEU A 14 1.875 -14.175 3.695 1.00 62.01 H new ATOM 0 HG LEU A 14 3.787 -12.340 3.532 1.00 12.21 H new ATOM 0 HD11 LEU A 14 3.679 -10.776 5.432 1.00 14.11 H new ATOM 0 HD12 LEU A 14 2.382 -10.472 4.252 1.00 14.11 H new ATOM 0 HD13 LEU A 14 2.019 -11.316 5.777 1.00 14.11 H new ATOM 0 HD21 LEU A 14 4.560 -13.058 5.760 1.00 13.43 H new ATOM 0 HD22 LEU A 14 2.934 -13.687 6.117 1.00 13.43 H new ATOM 0 HD23 LEU A 14 3.906 -14.419 4.818 1.00 13.43 H new ATOM 205 N PHE A 15 2.564 -14.121 0.725 1.00 52.10 N ATOM 206 CA PHE A 15 3.609 -14.554 -0.195 1.00 4.12 C ATOM 207 C PHE A 15 3.088 -15.629 -1.143 1.00 61.44 C ATOM 208 O PHE A 15 1.911 -15.988 -1.106 1.00 11.32 O ATOM 209 CB PHE A 15 4.815 -15.085 0.584 1.00 72.34 C ATOM 210 CG PHE A 15 5.569 -14.017 1.323 1.00 62.43 C ATOM 211 CD1 PHE A 15 6.226 -13.011 0.633 1.00 64.32 C ATOM 212 CD2 PHE A 15 5.621 -14.019 2.707 1.00 31.12 C ATOM 213 CE1 PHE A 15 6.922 -12.028 1.310 1.00 30.05 C ATOM 214 CE2 PHE A 15 6.315 -13.038 3.390 1.00 34.15 C ATOM 215 CZ PHE A 15 6.965 -12.041 2.691 1.00 1.40 C ATOM 0 H PHE A 15 1.801 -14.788 0.840 1.00 52.10 H new ATOM 0 HA PHE A 15 3.918 -13.692 -0.787 1.00 4.12 H new ATOM 0 HB2 PHE A 15 4.475 -15.837 1.296 1.00 72.34 H new ATOM 0 HB3 PHE A 15 5.493 -15.585 -0.108 1.00 72.34 H new ATOM 0 HD1 PHE A 15 6.194 -12.995 -0.446 1.00 64.32 H new ATOM 0 HD2 PHE A 15 5.113 -14.796 3.259 1.00 31.12 H new ATOM 0 HE1 PHE A 15 7.432 -11.250 0.760 1.00 30.05 H new ATOM 0 HE2 PHE A 15 6.349 -13.052 4.469 1.00 34.15 H new ATOM 0 HZ PHE A 15 7.506 -11.272 3.223 1.00 1.40 H new ATOM 225 N ARG A 16 3.973 -16.139 -1.994 1.00 21.54 N ATOM 226 CA ARG A 16 3.603 -17.172 -2.954 1.00 32.44 C ATOM 227 C ARG A 16 2.417 -16.725 -3.803 1.00 33.11 C ATOM 228 O ARG A 16 1.735 -17.546 -4.418 1.00 42.10 O ATOM 229 CB ARG A 16 3.262 -18.475 -2.227 1.00 54.24 C ATOM 230 CG ARG A 16 3.029 -19.651 -3.162 1.00 44.43 C ATOM 231 CD ARG A 16 3.061 -20.973 -2.413 1.00 22.25 C ATOM 232 NE ARG A 16 3.886 -21.968 -3.092 1.00 64.03 N ATOM 233 CZ ARG A 16 4.107 -23.189 -2.617 1.00 52.22 C ATOM 234 NH1 ARG A 16 3.566 -23.563 -1.466 1.00 75.42 N ATOM 235 NH2 ARG A 16 4.869 -24.038 -3.294 1.00 5.20 N ATOM 0 H ARG A 16 4.951 -15.853 -2.038 1.00 21.54 H new ATOM 0 HA ARG A 16 4.455 -17.343 -3.612 1.00 32.44 H new ATOM 0 HB2 ARG A 16 4.073 -18.722 -1.542 1.00 54.24 H new ATOM 0 HB3 ARG A 16 2.369 -18.320 -1.622 1.00 54.24 H new ATOM 0 HG2 ARG A 16 2.066 -19.537 -3.659 1.00 44.43 H new ATOM 0 HG3 ARG A 16 3.791 -19.654 -3.941 1.00 44.43 H new ATOM 0 HD2 ARG A 16 3.445 -20.810 -1.406 1.00 22.25 H new ATOM 0 HD3 ARG A 16 2.045 -21.355 -2.308 1.00 22.25 H new ATOM 0 HE ARG A 16 4.317 -21.712 -3.980 1.00 64.03 H new ATOM 0 HH11 ARG A 16 2.979 -22.913 -0.943 1.00 75.42 H new ATOM 0 HH12 ARG A 16 3.737 -24.501 -1.103 1.00 75.42 H new ATOM 0 HH21 ARG A 16 5.286 -23.754 -4.180 1.00 5.20 H new ATOM 0 HH22 ARG A 16 5.038 -24.975 -2.928 1.00 5.20 H new ATOM 249 N CYS A 17 2.175 -15.419 -3.832 1.00 3.24 N ATOM 250 CA CYS A 17 1.071 -14.861 -4.604 1.00 25.32 C ATOM 251 C CYS A 17 0.413 -15.935 -5.465 1.00 63.32 C ATOM 252 O CYS A 17 0.963 -16.350 -6.486 1.00 21.23 O ATOM 253 CB CYS A 17 1.568 -13.716 -5.488 1.00 53.22 C ATOM 254 SG CYS A 17 3.032 -14.130 -6.490 1.00 74.30 S ATOM 0 H CYS A 17 2.729 -14.726 -3.329 1.00 3.24 H new ATOM 0 HA CYS A 17 0.329 -14.475 -3.905 1.00 25.32 H new ATOM 0 HB2 CYS A 17 0.761 -13.409 -6.153 1.00 53.22 H new ATOM 0 HB3 CYS A 17 1.804 -12.860 -4.856 1.00 53.22 H new ATOM 259 N ARG A 18 -0.767 -16.381 -5.047 1.00 1.52 N ATOM 260 CA ARG A 18 -1.500 -17.406 -5.779 1.00 23.41 C ATOM 261 C ARG A 18 -1.802 -16.947 -7.202 1.00 73.22 C ATOM 262 O ARG A 18 -2.096 -17.761 -8.078 1.00 51.32 O ATOM 263 CB ARG A 18 -2.803 -17.748 -5.054 1.00 2.21 C ATOM 264 CG ARG A 18 -2.966 -17.030 -3.724 1.00 70.00 C ATOM 265 CD ARG A 18 -1.983 -17.549 -2.686 1.00 60.25 C ATOM 266 NE ARG A 18 -1.255 -18.723 -3.161 1.00 51.02 N ATOM 267 CZ ARG A 18 -1.671 -19.971 -2.974 1.00 43.31 C ATOM 268 NH1 ARG A 18 -2.803 -20.206 -2.326 1.00 53.41 N ATOM 269 NH2 ARG A 18 -0.953 -20.987 -3.436 1.00 40.31 N ATOM 0 H ARG A 18 -1.236 -16.048 -4.205 1.00 1.52 H new ATOM 0 HA ARG A 18 -0.875 -18.298 -5.828 1.00 23.41 H new ATOM 0 HB2 ARG A 18 -3.645 -17.496 -5.699 1.00 2.21 H new ATOM 0 HB3 ARG A 18 -2.843 -18.824 -4.884 1.00 2.21 H new ATOM 0 HG2 ARG A 18 -2.815 -15.960 -3.866 1.00 70.00 H new ATOM 0 HG3 ARG A 18 -3.985 -17.163 -3.360 1.00 70.00 H new ATOM 0 HD2 ARG A 18 -1.274 -16.761 -2.432 1.00 60.25 H new ATOM 0 HD3 ARG A 18 -2.520 -17.801 -1.772 1.00 60.25 H new ATOM 0 HE ARG A 18 -0.380 -18.577 -3.664 1.00 51.02 H new ATOM 0 HH11 ARG A 18 -3.357 -19.428 -1.969 1.00 53.41 H new ATOM 0 HH12 ARG A 18 -3.120 -21.165 -2.184 1.00 53.41 H new ATOM 0 HH21 ARG A 18 -0.081 -20.810 -3.935 1.00 40.31 H new ATOM 0 HH22 ARG A 18 -1.273 -21.945 -3.292 1.00 40.31 H new ATOM 283 N ARG A 19 -1.729 -15.639 -7.425 1.00 2.04 N ATOM 284 CA ARG A 19 -1.996 -15.071 -8.741 1.00 35.55 C ATOM 285 C ARG A 19 -2.067 -13.549 -8.672 1.00 14.22 C ATOM 286 O ARG A 19 -2.295 -12.975 -7.606 1.00 61.43 O ATOM 287 CB ARG A 19 -3.305 -15.629 -9.303 1.00 54.31 C ATOM 288 CG ARG A 19 -3.640 -15.112 -10.693 1.00 10.22 C ATOM 289 CD ARG A 19 -4.475 -16.114 -11.474 1.00 35.13 C ATOM 290 NE ARG A 19 -4.558 -15.771 -12.891 1.00 34.11 N ATOM 291 CZ ARG A 19 -5.064 -16.581 -13.815 1.00 12.24 C ATOM 292 NH1 ARG A 19 -5.530 -17.774 -13.472 1.00 11.22 N ATOM 293 NH2 ARG A 19 -5.105 -16.197 -15.084 1.00 73.22 N ATOM 0 H ARG A 19 -1.487 -14.952 -6.711 1.00 2.04 H new ATOM 0 HA ARG A 19 -1.176 -15.349 -9.403 1.00 35.55 H new ATOM 0 HB2 ARG A 19 -3.243 -16.717 -9.334 1.00 54.31 H new ATOM 0 HB3 ARG A 19 -4.119 -15.376 -8.624 1.00 54.31 H new ATOM 0 HG2 ARG A 19 -4.183 -14.170 -10.611 1.00 10.22 H new ATOM 0 HG3 ARG A 19 -2.719 -14.903 -11.236 1.00 10.22 H new ATOM 0 HD2 ARG A 19 -4.042 -17.108 -11.367 1.00 35.13 H new ATOM 0 HD3 ARG A 19 -5.479 -16.156 -11.052 1.00 35.13 H new ATOM 0 HE ARG A 19 -4.208 -14.860 -13.188 1.00 34.11 H new ATOM 0 HH11 ARG A 19 -5.501 -18.072 -12.497 1.00 11.22 H new ATOM 0 HH12 ARG A 19 -5.918 -18.394 -14.183 1.00 11.22 H new ATOM 0 HH21 ARG A 19 -4.748 -15.280 -15.351 1.00 73.22 H new ATOM 0 HH22 ARG A 19 -5.493 -16.819 -15.793 1.00 73.22 H new ATOM 307 N ASP A 20 -1.871 -12.900 -9.814 1.00 65.54 N ATOM 308 CA ASP A 20 -1.913 -11.444 -9.884 1.00 64.45 C ATOM 309 C ASP A 20 -3.148 -10.902 -9.174 1.00 14.43 C ATOM 310 O ASP A 20 -3.098 -9.850 -8.537 1.00 14.44 O ATOM 311 CB ASP A 20 -1.903 -10.982 -11.342 1.00 72.24 C ATOM 312 CG ASP A 20 -0.852 -11.696 -12.169 1.00 41.03 C ATOM 313 OD1 ASP A 20 -1.091 -12.859 -12.557 1.00 65.02 O ATOM 314 OD2 ASP A 20 0.209 -11.091 -12.429 1.00 61.33 O ATOM 0 H ASP A 20 -1.681 -13.359 -10.705 1.00 65.54 H new ATOM 0 HA ASP A 20 -1.027 -11.055 -9.382 1.00 64.45 H new ATOM 0 HB2 ASP A 20 -2.886 -11.154 -11.781 1.00 72.24 H new ATOM 0 HB3 ASP A 20 -1.722 -9.908 -11.378 1.00 72.24 H new ATOM 319 N SER A 21 -4.257 -11.626 -9.289 1.00 21.14 N ATOM 320 CA SER A 21 -5.507 -11.215 -8.661 1.00 54.23 C ATOM 321 C SER A 21 -5.287 -10.855 -7.195 1.00 42.42 C ATOM 322 O SER A 21 -6.036 -10.066 -6.619 1.00 12.02 O ATOM 323 CB SER A 21 -6.549 -12.329 -8.773 1.00 74.32 C ATOM 324 OG SER A 21 -7.775 -11.943 -8.177 1.00 34.14 O ATOM 0 H SER A 21 -4.315 -12.500 -9.811 1.00 21.14 H new ATOM 0 HA SER A 21 -5.873 -10.331 -9.183 1.00 54.23 H new ATOM 0 HB2 SER A 21 -6.713 -12.574 -9.822 1.00 74.32 H new ATOM 0 HB3 SER A 21 -6.174 -13.231 -8.290 1.00 74.32 H new ATOM 0 HG SER A 21 -8.424 -12.672 -8.263 1.00 34.14 H new ATOM 330 N ASP A 22 -4.254 -11.438 -6.598 1.00 64.33 N ATOM 331 CA ASP A 22 -3.932 -11.179 -5.200 1.00 32.33 C ATOM 332 C ASP A 22 -4.005 -9.687 -4.893 1.00 2.31 C ATOM 333 O ASP A 22 -4.624 -9.273 -3.912 1.00 51.13 O ATOM 334 CB ASP A 22 -2.538 -11.714 -4.867 1.00 53.30 C ATOM 335 CG ASP A 22 -2.516 -13.223 -4.721 1.00 15.43 C ATOM 336 OD1 ASP A 22 -3.425 -13.768 -4.060 1.00 32.20 O ATOM 337 OD2 ASP A 22 -1.591 -13.858 -5.268 1.00 12.13 O ATOM 0 H ASP A 22 -3.625 -12.094 -7.061 1.00 64.33 H new ATOM 0 HA ASP A 22 -4.667 -11.695 -4.582 1.00 32.33 H new ATOM 0 HB2 ASP A 22 -1.842 -11.418 -5.651 1.00 53.30 H new ATOM 0 HB3 ASP A 22 -2.188 -11.257 -3.941 1.00 53.30 H new ATOM 342 N CYS A 23 -3.367 -8.883 -5.737 1.00 51.31 N ATOM 343 CA CYS A 23 -3.357 -7.436 -5.556 1.00 73.14 C ATOM 344 C CYS A 23 -3.873 -6.728 -6.806 1.00 33.30 C ATOM 345 O CYS A 23 -3.269 -6.786 -7.877 1.00 22.50 O ATOM 346 CB CYS A 23 -1.943 -6.951 -5.230 1.00 34.54 C ATOM 347 SG CYS A 23 -1.276 -7.605 -3.666 1.00 32.34 S ATOM 0 H CYS A 23 -2.850 -9.209 -6.553 1.00 51.31 H new ATOM 0 HA CYS A 23 -4.018 -7.195 -4.723 1.00 73.14 H new ATOM 0 HB2 CYS A 23 -1.276 -7.235 -6.044 1.00 34.54 H new ATOM 0 HB3 CYS A 23 -1.945 -5.862 -5.185 1.00 34.54 H new ATOM 352 N PRO A 24 -5.018 -6.043 -6.668 1.00 31.14 N ATOM 353 CA PRO A 24 -5.641 -5.310 -7.774 1.00 64.20 C ATOM 354 C PRO A 24 -4.838 -4.078 -8.178 1.00 23.32 C ATOM 355 O PRO A 24 -4.766 -3.730 -9.356 1.00 34.44 O ATOM 356 CB PRO A 24 -7.001 -4.899 -7.206 1.00 73.00 C ATOM 357 CG PRO A 24 -6.799 -4.857 -5.731 1.00 20.44 C ATOM 358 CD PRO A 24 -5.793 -5.931 -5.420 1.00 45.32 C ATOM 0 HA PRO A 24 -5.707 -5.915 -8.678 1.00 64.20 H new ATOM 0 HB2 PRO A 24 -7.313 -3.928 -7.590 1.00 73.00 H new ATOM 0 HB3 PRO A 24 -7.777 -5.615 -7.479 1.00 73.00 H new ATOM 0 HG2 PRO A 24 -6.436 -3.879 -5.414 1.00 20.44 H new ATOM 0 HG3 PRO A 24 -7.736 -5.035 -5.204 1.00 20.44 H new ATOM 0 HD2 PRO A 24 -5.159 -5.656 -4.577 1.00 45.32 H new ATOM 0 HD3 PRO A 24 -6.277 -6.873 -5.162 1.00 45.32 H new ATOM 366 N GLY A 25 -4.234 -3.422 -7.192 1.00 4.32 N ATOM 367 CA GLY A 25 -3.443 -2.236 -7.465 1.00 53.34 C ATOM 368 C GLY A 25 -2.309 -2.506 -8.433 1.00 45.24 C ATOM 369 O GLY A 25 -2.235 -3.580 -9.030 1.00 1.42 O ATOM 0 H GLY A 25 -4.278 -3.691 -6.209 1.00 4.32 H new ATOM 0 HA2 GLY A 25 -4.088 -1.459 -7.874 1.00 53.34 H new ATOM 0 HA3 GLY A 25 -3.035 -1.852 -6.530 1.00 53.34 H new ATOM 373 N ALA A 26 -1.422 -1.528 -8.591 1.00 73.14 N ATOM 374 CA ALA A 26 -0.286 -1.666 -9.494 1.00 3.34 C ATOM 375 C ALA A 26 0.458 -2.973 -9.244 1.00 23.13 C ATOM 376 O ALA A 26 0.686 -3.756 -10.166 1.00 75.35 O ATOM 377 CB ALA A 26 0.657 -0.482 -9.339 1.00 42.30 C ATOM 0 H ALA A 26 -1.469 -0.632 -8.105 1.00 73.14 H new ATOM 0 HA ALA A 26 -0.665 -1.684 -10.516 1.00 3.34 H new ATOM 0 HB1 ALA A 26 1.501 -0.598 -10.019 1.00 42.30 H new ATOM 0 HB2 ALA A 26 0.125 0.440 -9.574 1.00 42.30 H new ATOM 0 HB3 ALA A 26 1.021 -0.439 -8.313 1.00 42.30 H new ATOM 383 N CYS A 27 0.837 -3.203 -7.991 1.00 35.12 N ATOM 384 CA CYS A 27 1.556 -4.415 -7.619 1.00 64.21 C ATOM 385 C CYS A 27 0.905 -5.647 -8.240 1.00 74.15 C ATOM 386 O CYS A 27 -0.289 -5.644 -8.543 1.00 60.31 O ATOM 387 CB CYS A 27 1.600 -4.561 -6.097 1.00 10.23 C ATOM 388 SG CYS A 27 0.063 -4.060 -5.258 1.00 35.15 S ATOM 0 H CYS A 27 0.658 -2.565 -7.216 1.00 35.12 H new ATOM 0 HA CYS A 27 2.574 -4.333 -7.999 1.00 64.21 H new ATOM 0 HB2 CYS A 27 1.815 -5.600 -5.848 1.00 10.23 H new ATOM 0 HB3 CYS A 27 2.425 -3.963 -5.709 1.00 10.23 H new ATOM 393 N ILE A 28 1.696 -6.698 -8.427 1.00 44.32 N ATOM 394 CA ILE A 28 1.196 -7.936 -9.011 1.00 25.33 C ATOM 395 C ILE A 28 2.036 -9.130 -8.570 1.00 24.14 C ATOM 396 O ILE A 28 3.122 -8.967 -8.013 1.00 25.25 O ATOM 397 CB ILE A 28 1.187 -7.870 -10.549 1.00 61.04 C ATOM 398 CG1 ILE A 28 2.516 -7.314 -11.066 1.00 13.02 C ATOM 399 CG2 ILE A 28 0.025 -7.017 -11.036 1.00 31.23 C ATOM 400 CD1 ILE A 28 2.523 -7.053 -12.556 1.00 2.33 C ATOM 0 H ILE A 28 2.686 -6.717 -8.182 1.00 44.32 H new ATOM 0 HA ILE A 28 0.173 -8.062 -8.655 1.00 25.33 H new ATOM 0 HB ILE A 28 1.060 -8.880 -10.940 1.00 61.04 H new ATOM 0 HG12 ILE A 28 2.741 -6.385 -10.542 1.00 13.02 H new ATOM 0 HG13 ILE A 28 3.313 -8.017 -10.825 1.00 13.02 H new ATOM 0 HG21 ILE A 28 0.032 -6.980 -12.125 1.00 31.23 H new ATOM 0 HG22 ILE A 28 -0.914 -7.452 -10.694 1.00 31.23 H new ATOM 0 HG23 ILE A 28 0.123 -6.007 -10.638 1.00 31.23 H new ATOM 0 HD11 ILE A 28 3.496 -6.660 -12.852 1.00 2.33 H new ATOM 0 HD12 ILE A 28 2.330 -7.984 -13.089 1.00 2.33 H new ATOM 0 HD13 ILE A 28 1.748 -6.327 -12.802 1.00 2.33 H new ATOM 412 N CYS A 29 1.527 -10.331 -8.824 1.00 4.12 N ATOM 413 CA CYS A 29 2.230 -11.554 -8.455 1.00 2.32 C ATOM 414 C CYS A 29 3.440 -11.780 -9.358 1.00 15.43 C ATOM 415 O CYS A 29 3.321 -11.779 -10.583 1.00 41.51 O ATOM 416 CB CYS A 29 1.286 -12.755 -8.539 1.00 11.43 C ATOM 417 SG CYS A 29 2.132 -14.368 -8.536 1.00 4.31 S ATOM 0 H CYS A 29 0.630 -10.483 -9.284 1.00 4.12 H new ATOM 0 HA CYS A 29 2.580 -11.446 -7.428 1.00 2.32 H new ATOM 0 HB2 CYS A 29 0.593 -12.719 -7.698 1.00 11.43 H new ATOM 0 HB3 CYS A 29 0.689 -12.672 -9.447 1.00 11.43 H new ATOM 422 N ARG A 30 4.602 -11.973 -8.743 1.00 72.30 N ATOM 423 CA ARG A 30 5.833 -12.200 -9.490 1.00 51.44 C ATOM 424 C ARG A 30 6.681 -13.281 -8.827 1.00 10.32 C ATOM 425 O ARG A 30 6.322 -13.807 -7.774 1.00 52.13 O ATOM 426 CB ARG A 30 6.635 -10.902 -9.598 1.00 43.51 C ATOM 427 CG ARG A 30 7.070 -10.341 -8.254 1.00 14.31 C ATOM 428 CD ARG A 30 6.038 -9.373 -7.694 1.00 64.15 C ATOM 429 NE ARG A 30 5.751 -8.283 -8.622 1.00 40.45 N ATOM 430 CZ ARG A 30 6.613 -7.313 -8.907 1.00 25.20 C ATOM 431 NH1 ARG A 30 7.811 -7.299 -8.339 1.00 23.13 N ATOM 432 NH2 ARG A 30 6.279 -6.355 -9.762 1.00 74.41 N ATOM 0 H ARG A 30 4.717 -11.977 -7.729 1.00 72.30 H new ATOM 0 HA ARG A 30 5.564 -12.538 -10.491 1.00 51.44 H new ATOM 0 HB2 ARG A 30 7.519 -11.081 -10.211 1.00 43.51 H new ATOM 0 HB3 ARG A 30 6.033 -10.155 -10.116 1.00 43.51 H new ATOM 0 HG2 ARG A 30 7.224 -11.159 -7.550 1.00 14.31 H new ATOM 0 HG3 ARG A 30 8.027 -9.831 -8.364 1.00 14.31 H new ATOM 0 HD2 ARG A 30 5.117 -9.913 -7.473 1.00 64.15 H new ATOM 0 HD3 ARG A 30 6.401 -8.961 -6.752 1.00 64.15 H new ATOM 0 HE ARG A 30 4.838 -8.265 -9.077 1.00 40.45 H new ATOM 0 HH11 ARG A 30 8.072 -8.034 -7.682 1.00 23.13 H new ATOM 0 HH12 ARG A 30 8.471 -6.553 -8.559 1.00 23.13 H new ATOM 0 HH21 ARG A 30 5.359 -6.362 -10.202 1.00 74.41 H new ATOM 0 HH22 ARG A 30 6.942 -5.611 -9.979 1.00 74.41 H new ATOM 446 N GLY A 31 7.809 -13.607 -9.451 1.00 32.42 N ATOM 447 CA GLY A 31 8.690 -14.624 -8.907 1.00 33.32 C ATOM 448 C GLY A 31 9.156 -14.297 -7.502 1.00 55.40 C ATOM 449 O GLY A 31 9.620 -15.173 -6.775 1.00 21.42 O ATOM 0 H GLY A 31 8.128 -13.185 -10.323 1.00 32.42 H new ATOM 0 HA2 GLY A 31 8.172 -15.583 -8.901 1.00 33.32 H new ATOM 0 HA3 GLY A 31 9.558 -14.734 -9.558 1.00 33.32 H new ATOM 453 N ASN A 32 9.033 -13.030 -7.120 1.00 14.41 N ATOM 454 CA ASN A 32 9.447 -12.588 -5.793 1.00 50.22 C ATOM 455 C ASN A 32 8.713 -13.367 -4.706 1.00 71.23 C ATOM 456 O ASN A 32 9.072 -13.303 -3.532 1.00 23.15 O ATOM 457 CB ASN A 32 9.185 -11.089 -5.627 1.00 63.50 C ATOM 458 CG ASN A 32 7.968 -10.807 -4.768 1.00 54.04 C ATOM 459 OD1 ASN A 32 6.872 -10.577 -5.281 1.00 64.24 O ATOM 460 ND2 ASN A 32 8.154 -10.823 -3.454 1.00 4.43 N ATOM 0 H ASN A 32 8.650 -12.291 -7.710 1.00 14.41 H new ATOM 0 HA ASN A 32 10.516 -12.777 -5.692 1.00 50.22 H new ATOM 0 HB2 ASN A 32 10.060 -10.617 -5.179 1.00 63.50 H new ATOM 0 HB3 ASN A 32 9.046 -10.636 -6.609 1.00 63.50 H new ATOM 0 HD21 ASN A 32 7.371 -10.640 -2.826 1.00 4.43 H new ATOM 0 HD22 ASN A 32 9.080 -11.018 -3.072 1.00 4.43 H new ATOM 467 N GLY A 33 7.682 -14.104 -5.108 1.00 74.20 N ATOM 468 CA GLY A 33 6.913 -14.886 -4.157 1.00 3.01 C ATOM 469 C GLY A 33 5.859 -14.061 -3.446 1.00 31.10 C ATOM 470 O GLY A 33 5.608 -14.254 -2.256 1.00 41.21 O ATOM 0 H GLY A 33 7.365 -14.174 -6.075 1.00 74.20 H new ATOM 0 HA2 GLY A 33 6.432 -15.714 -4.677 1.00 3.01 H new ATOM 0 HA3 GLY A 33 7.587 -15.321 -3.420 1.00 3.01 H new ATOM 474 N TYR A 34 5.241 -13.139 -4.175 1.00 50.31 N ATOM 475 CA TYR A 34 4.211 -12.278 -3.606 1.00 34.32 C ATOM 476 C TYR A 34 3.717 -11.266 -4.635 1.00 14.23 C ATOM 477 O TYR A 34 4.380 -11.010 -5.640 1.00 1.00 O ATOM 478 CB TYR A 34 4.749 -11.549 -2.374 1.00 1.11 C ATOM 479 CG TYR A 34 3.781 -10.543 -1.794 1.00 54.34 C ATOM 480 CD1 TYR A 34 2.619 -10.956 -1.153 1.00 44.24 C ATOM 481 CD2 TYR A 34 4.028 -9.178 -1.887 1.00 73.43 C ATOM 482 CE1 TYR A 34 1.732 -10.040 -0.623 1.00 55.13 C ATOM 483 CE2 TYR A 34 3.146 -8.255 -1.359 1.00 21.31 C ATOM 484 CZ TYR A 34 1.999 -8.691 -0.728 1.00 43.13 C ATOM 485 OH TYR A 34 1.118 -7.775 -0.200 1.00 61.43 O ATOM 0 H TYR A 34 5.435 -12.968 -5.162 1.00 50.31 H new ATOM 0 HA TYR A 34 3.371 -12.906 -3.310 1.00 34.32 H new ATOM 0 HB2 TYR A 34 4.999 -12.283 -1.608 1.00 1.11 H new ATOM 0 HB3 TYR A 34 5.675 -11.038 -2.640 1.00 1.11 H new ATOM 0 HD1 TYR A 34 2.406 -12.011 -1.068 1.00 44.24 H new ATOM 0 HD2 TYR A 34 4.925 -8.833 -2.380 1.00 73.43 H new ATOM 0 HE1 TYR A 34 0.833 -10.378 -0.129 1.00 55.13 H new ATOM 0 HE2 TYR A 34 3.353 -7.198 -1.440 1.00 21.31 H new ATOM 0 HH TYR A 34 1.455 -6.868 -0.358 1.00 61.43 H new ATOM 495 N CYS A 35 2.547 -10.692 -4.375 1.00 54.34 N ATOM 496 CA CYS A 35 1.961 -9.707 -5.277 1.00 2.43 C ATOM 497 C CYS A 35 2.701 -8.375 -5.182 1.00 33.23 C ATOM 498 O CYS A 35 2.145 -7.375 -4.730 1.00 54.03 O ATOM 499 CB CYS A 35 0.480 -9.504 -4.952 1.00 31.20 C ATOM 500 SG CYS A 35 0.173 -8.720 -3.337 1.00 3.42 S ATOM 0 H CYS A 35 1.986 -10.892 -3.547 1.00 54.34 H new ATOM 0 HA CYS A 35 2.054 -10.083 -6.296 1.00 2.43 H new ATOM 0 HB2 CYS A 35 0.029 -8.892 -5.733 1.00 31.20 H new ATOM 0 HB3 CYS A 35 -0.022 -10.471 -4.975 1.00 31.20 H new ATOM 505 N GLY A 36 3.959 -8.371 -5.611 1.00 62.31 N ATOM 506 CA GLY A 36 4.755 -7.158 -5.566 1.00 74.33 C ATOM 507 C GLY A 36 4.211 -6.075 -6.476 1.00 50.42 C ATOM 508 O GLY A 36 4.294 -6.183 -7.700 1.00 13.15 O ATOM 0 H GLY A 36 4.442 -9.186 -5.989 1.00 62.31 H new ATOM 0 HA2 GLY A 36 4.787 -6.786 -4.542 1.00 74.33 H new ATOM 0 HA3 GLY A 36 5.781 -7.389 -5.854 1.00 74.33 H new TER 512 GLY A 36