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 8 THR OG1 : rot 92:sc= 1.25 USER MOD Set 1.2: A 34 TYR OH : rot -97:sc= -0.0553 USER MOD Set 2.1: A 2 CYS SG : rot 175:sc= -22.6! USER MOD Set 2.2: A 27 CYS SG : rot -71:sc= -26.4! USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 ASN : amide:sc=-0.00409 X(o=-0.0041,f=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.0823 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -5.39 K(o=-5.4,f=-9.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.590 2.003 -1.214 1.00 15.42 N ATOM 2 CA GLY A 1 1.161 1.847 -2.538 1.00 43.35 C ATOM 3 C GLY A 1 0.155 1.332 -3.548 1.00 35.35 C ATOM 4 O GLY A 1 0.035 1.871 -4.648 1.00 1.20 O ATOM 0 H1 GLY A 1 1.318 2.357 -0.561 1.00 15.42 H new ATOM 0 H2 GLY A 1 -0.198 2.680 -1.254 1.00 15.42 H new ATOM 0 H3 GLY A 1 0.240 1.084 -0.876 1.00 15.42 H new ATOM 0 HA2 GLY A 1 1.552 2.806 -2.877 1.00 43.35 H new ATOM 0 HA3 GLY A 1 2.005 1.159 -2.487 1.00 43.35 H new ATOM 8 N CYS A 2 -0.571 0.283 -3.174 1.00 13.20 N ATOM 9 CA CYS A 2 -1.572 -0.308 -4.055 1.00 3.35 C ATOM 10 C CYS A 2 -2.971 0.180 -3.692 1.00 35.21 C ATOM 11 O CYS A 2 -3.207 0.649 -2.578 1.00 40.42 O ATOM 12 CB CYS A 2 -1.515 -1.834 -3.974 1.00 24.53 C ATOM 13 SG CYS A 2 -0.064 -2.569 -4.796 1.00 12.22 S ATOM 0 H CYS A 2 -0.485 -0.175 -2.267 1.00 13.20 H new ATOM 0 HA CYS A 2 -1.351 0.003 -5.076 1.00 3.35 H new ATOM 0 HB2 CYS A 2 -1.515 -2.132 -2.925 1.00 24.53 H new ATOM 0 HB3 CYS A 2 -2.420 -2.245 -4.422 1.00 24.53 H new ATOM 0 HG CYS A 2 -0.053 -3.853 -4.590 1.00 12.22 H new ATOM 18 N ILE A 3 -3.896 0.064 -4.639 1.00 41.43 N ATOM 19 CA ILE A 3 -5.272 0.492 -4.419 1.00 60.23 C ATOM 20 C ILE A 3 -6.089 0.396 -5.703 1.00 53.21 C ATOM 21 O ILE A 3 -6.021 1.276 -6.563 1.00 22.23 O ATOM 22 CB ILE A 3 -5.335 1.937 -3.890 1.00 61.14 C ATOM 23 CG1 ILE A 3 -6.776 2.450 -3.914 1.00 74.53 C ATOM 24 CG2 ILE A 3 -4.431 2.842 -4.714 1.00 53.21 C ATOM 25 CD1 ILE A 3 -7.106 3.380 -2.768 1.00 30.41 C ATOM 0 H ILE A 3 -3.718 -0.323 -5.566 1.00 41.43 H new ATOM 0 HA ILE A 3 -5.695 -0.178 -3.671 1.00 60.23 H new ATOM 0 HB ILE A 3 -4.983 1.946 -2.858 1.00 61.14 H new ATOM 0 HG12 ILE A 3 -6.952 2.970 -4.856 1.00 74.53 H new ATOM 0 HG13 ILE A 3 -7.456 1.599 -3.888 1.00 74.53 H new ATOM 0 HG21 ILE A 3 -4.486 3.860 -4.328 1.00 53.21 H new ATOM 0 HG22 ILE A 3 -3.403 2.485 -4.650 1.00 53.21 H new ATOM 0 HG23 ILE A 3 -4.755 2.830 -5.755 1.00 53.21 H new ATOM 0 HD11 ILE A 3 -8.144 3.704 -2.850 1.00 30.41 H new ATOM 0 HD12 ILE A 3 -6.962 2.857 -1.822 1.00 30.41 H new ATOM 0 HD13 ILE A 3 -6.450 4.250 -2.805 1.00 30.41 H new ATOM 37 N LEU A 4 -6.864 -0.676 -5.826 1.00 64.13 N ATOM 38 CA LEU A 4 -7.697 -0.887 -7.005 1.00 11.31 C ATOM 39 C LEU A 4 -8.590 -2.111 -6.829 1.00 64.11 C ATOM 40 O LEU A 4 -8.823 -2.862 -7.775 1.00 23.31 O ATOM 41 CB LEU A 4 -6.823 -1.053 -8.249 1.00 23.30 C ATOM 42 CG LEU A 4 -7.357 -0.422 -9.535 1.00 14.33 C ATOM 43 CD1 LEU A 4 -7.055 1.068 -9.563 1.00 41.44 C ATOM 44 CD2 LEU A 4 -6.764 -1.112 -10.755 1.00 14.34 C ATOM 0 H LEU A 4 -6.933 -1.413 -5.124 1.00 64.13 H new ATOM 0 HA LEU A 4 -8.334 -0.011 -7.131 1.00 11.31 H new ATOM 0 HB2 LEU A 4 -5.842 -0.626 -8.039 1.00 23.30 H new ATOM 0 HB3 LEU A 4 -6.676 -2.119 -8.425 1.00 23.30 H new ATOM 0 HG LEU A 4 -8.439 -0.553 -9.559 1.00 14.33 H new ATOM 0 HD11 LEU A 4 -7.442 1.500 -10.486 1.00 41.44 H new ATOM 0 HD12 LEU A 4 -7.529 1.551 -8.709 1.00 41.44 H new ATOM 0 HD13 LEU A 4 -5.977 1.222 -9.515 1.00 41.44 H new ATOM 0 HD21 LEU A 4 -7.156 -0.649 -11.661 1.00 14.34 H new ATOM 0 HD22 LEU A 4 -5.679 -1.013 -10.737 1.00 14.34 H new ATOM 0 HD23 LEU A 4 -7.032 -2.168 -10.742 1.00 14.34 H new ATOM 56 N ASN A 5 -9.088 -2.304 -5.612 1.00 42.11 N ATOM 57 CA ASN A 5 -9.957 -3.436 -5.312 1.00 64.34 C ATOM 58 C ASN A 5 -9.213 -4.756 -5.495 1.00 41.15 C ATOM 59 O ASN A 5 -9.277 -5.374 -6.557 1.00 65.30 O ATOM 60 CB ASN A 5 -11.195 -3.407 -6.210 1.00 71.23 C ATOM 61 CG ASN A 5 -12.328 -4.252 -5.660 1.00 52.30 C ATOM 62 OD1 ASN A 5 -12.700 -5.269 -6.245 1.00 63.11 O ATOM 63 ND2 ASN A 5 -12.883 -3.832 -4.529 1.00 53.11 N ATOM 0 H ASN A 5 -8.905 -1.691 -4.818 1.00 42.11 H new ATOM 0 HA ASN A 5 -10.270 -3.357 -4.271 1.00 64.34 H new ATOM 0 HB2 ASN A 5 -11.535 -2.377 -6.323 1.00 71.23 H new ATOM 0 HB3 ASN A 5 -10.928 -3.765 -7.204 1.00 71.23 H new ATOM 0 HD21 ASN A 5 -13.650 -4.359 -4.111 1.00 53.11 H new ATOM 0 HD22 ASN A 5 -12.542 -2.983 -4.078 1.00 53.11 H new ATOM 70 N GLY A 6 -8.508 -5.182 -4.452 1.00 1.55 N ATOM 71 CA GLY A 6 -7.763 -6.425 -4.517 1.00 64.00 C ATOM 72 C GLY A 6 -7.216 -6.845 -3.167 1.00 43.01 C ATOM 73 O GLY A 6 -7.089 -8.037 -2.885 1.00 13.55 O ATOM 0 H GLY A 6 -8.440 -4.688 -3.562 1.00 1.55 H new ATOM 0 HA2 GLY A 6 -8.409 -7.212 -4.904 1.00 64.00 H new ATOM 0 HA3 GLY A 6 -6.938 -6.314 -5.221 1.00 64.00 H new ATOM 77 N ARG A 7 -6.889 -5.864 -2.332 1.00 23.32 N ATOM 78 CA ARG A 7 -6.349 -6.139 -1.005 1.00 54.44 C ATOM 79 C ARG A 7 -4.953 -6.746 -1.101 1.00 42.13 C ATOM 80 O ARG A 7 -4.799 -7.941 -1.357 1.00 51.31 O ATOM 81 CB ARG A 7 -7.277 -7.084 -0.240 1.00 22.11 C ATOM 82 CG ARG A 7 -8.751 -6.745 -0.390 1.00 21.11 C ATOM 83 CD ARG A 7 -9.610 -7.564 0.560 1.00 34.04 C ATOM 84 NE ARG A 7 -9.679 -8.968 0.164 1.00 14.10 N ATOM 85 CZ ARG A 7 -10.163 -9.929 0.943 1.00 14.43 C ATOM 86 NH1 ARG A 7 -10.619 -9.638 2.154 1.00 30.21 N ATOM 87 NH2 ARG A 7 -10.193 -11.183 0.512 1.00 61.05 N ATOM 0 H ARG A 7 -6.988 -4.873 -2.550 1.00 23.32 H new ATOM 0 HA ARG A 7 -6.279 -5.194 -0.466 1.00 54.44 H new ATOM 0 HB2 ARG A 7 -7.110 -8.103 -0.588 1.00 22.11 H new ATOM 0 HB3 ARG A 7 -7.014 -7.061 0.817 1.00 22.11 H new ATOM 0 HG2 ARG A 7 -8.903 -5.683 -0.196 1.00 21.11 H new ATOM 0 HG3 ARG A 7 -9.065 -6.929 -1.417 1.00 21.11 H new ATOM 0 HD2 ARG A 7 -9.204 -7.492 1.569 1.00 34.04 H new ATOM 0 HD3 ARG A 7 -10.616 -7.146 0.590 1.00 34.04 H new ATOM 0 HE ARG A 7 -9.337 -9.225 -0.762 1.00 14.10 H new ATOM 0 HH11 ARG A 7 -10.598 -8.675 2.489 1.00 30.21 H new ATOM 0 HH12 ARG A 7 -10.990 -10.377 2.750 1.00 30.21 H new ATOM 0 HH21 ARG A 7 -9.844 -11.411 -0.419 1.00 61.05 H new ATOM 0 HH22 ARG A 7 -10.565 -11.920 1.112 1.00 61.05 H new ATOM 101 N THR A 8 -3.936 -5.915 -0.895 1.00 10.41 N ATOM 102 CA THR A 8 -2.553 -6.368 -0.960 1.00 24.34 C ATOM 103 C THR A 8 -2.036 -6.756 0.421 1.00 2.42 C ATOM 104 O THR A 8 -2.567 -6.314 1.440 1.00 55.41 O ATOM 105 CB THR A 8 -1.633 -5.285 -1.554 1.00 52.30 C ATOM 106 OG1 THR A 8 -0.261 -5.657 -1.380 1.00 14.43 O ATOM 107 CG2 THR A 8 -1.887 -3.938 -0.894 1.00 23.05 C ATOM 0 H THR A 8 -4.045 -4.924 -0.682 1.00 10.41 H new ATOM 0 HA THR A 8 -2.538 -7.243 -1.610 1.00 24.34 H new ATOM 0 HB THR A 8 -1.852 -5.197 -2.618 1.00 52.30 H new ATOM 0 HG1 THR A 8 0.044 -6.157 -2.165 1.00 14.43 H new ATOM 0 HG21 THR A 8 -1.226 -3.189 -1.330 1.00 23.05 H new ATOM 0 HG22 THR A 8 -2.924 -3.644 -1.055 1.00 23.05 H new ATOM 0 HG23 THR A 8 -1.693 -4.015 0.176 1.00 23.05 H new ATOM 115 N ASP A 9 -0.997 -7.583 0.448 1.00 5.52 N ATOM 116 CA ASP A 9 -0.406 -8.028 1.705 1.00 33.01 C ATOM 117 C ASP A 9 -1.475 -8.586 2.640 1.00 52.12 C ATOM 118 O ASP A 9 -1.990 -7.876 3.505 1.00 30.42 O ATOM 119 CB ASP A 9 0.331 -6.873 2.385 1.00 72.02 C ATOM 120 CG ASP A 9 1.369 -7.354 3.379 1.00 32.15 C ATOM 121 OD1 ASP A 9 0.975 -7.922 4.419 1.00 10.25 O ATOM 122 OD2 ASP A 9 2.575 -7.162 3.118 1.00 21.23 O ATOM 0 H ASP A 9 -0.546 -7.959 -0.386 1.00 5.52 H new ATOM 0 HA ASP A 9 0.307 -8.822 1.482 1.00 33.01 H new ATOM 0 HB2 ASP A 9 0.816 -6.259 1.626 1.00 72.02 H new ATOM 0 HB3 ASP A 9 -0.391 -6.237 2.897 1.00 72.02 H new ATOM 127 N LEU A 10 -1.805 -9.860 2.459 1.00 12.11 N ATOM 128 CA LEU A 10 -2.814 -10.514 3.286 1.00 50.45 C ATOM 129 C LEU A 10 -2.297 -11.843 3.826 1.00 75.34 C ATOM 130 O LEU A 10 -1.137 -12.198 3.624 1.00 21.00 O ATOM 131 CB LEU A 10 -4.094 -10.740 2.479 1.00 62.31 C ATOM 132 CG LEU A 10 -5.318 -9.938 2.923 1.00 61.53 C ATOM 133 CD1 LEU A 10 -5.721 -10.320 4.339 1.00 52.15 C ATOM 134 CD2 LEU A 10 -5.040 -8.445 2.829 1.00 21.33 C ATOM 0 H LEU A 10 -1.389 -10.461 1.747 1.00 12.11 H new ATOM 0 HA LEU A 10 -3.035 -9.862 4.131 1.00 50.45 H new ATOM 0 HB2 LEU A 10 -3.888 -10.503 1.435 1.00 62.31 H new ATOM 0 HB3 LEU A 10 -4.344 -11.800 2.522 1.00 62.31 H new ATOM 0 HG LEU A 10 -6.146 -10.175 2.255 1.00 61.53 H new ATOM 0 HD11 LEU A 10 -6.594 -9.739 4.638 1.00 52.15 H new ATOM 0 HD12 LEU A 10 -5.962 -11.382 4.375 1.00 52.15 H new ATOM 0 HD13 LEU A 10 -4.896 -10.112 5.021 1.00 52.15 H new ATOM 0 HD21 LEU A 10 -5.922 -7.890 3.149 1.00 21.33 H new ATOM 0 HD22 LEU A 10 -4.198 -8.190 3.473 1.00 21.33 H new ATOM 0 HD23 LEU A 10 -4.801 -8.184 1.798 1.00 21.33 H new ATOM 146 N GLY A 11 -3.169 -12.576 4.512 1.00 71.43 N ATOM 147 CA GLY A 11 -2.783 -13.860 5.068 1.00 11.13 C ATOM 148 C GLY A 11 -2.046 -14.728 4.068 1.00 42.43 C ATOM 149 O GLY A 11 -0.818 -14.685 3.982 1.00 0.41 O ATOM 0 H GLY A 11 -4.135 -12.304 4.693 1.00 71.43 H new ATOM 0 HA2 GLY A 11 -2.150 -13.699 5.940 1.00 11.13 H new ATOM 0 HA3 GLY A 11 -3.674 -14.385 5.413 1.00 11.13 H new ATOM 153 N THR A 12 -2.796 -15.520 3.308 1.00 23.21 N ATOM 154 CA THR A 12 -2.206 -16.404 2.311 1.00 70.24 C ATOM 155 C THR A 12 -1.508 -15.608 1.214 1.00 5.35 C ATOM 156 O THR A 12 -0.510 -16.055 0.648 1.00 64.13 O ATOM 157 CB THR A 12 -3.269 -17.316 1.669 1.00 12.30 C ATOM 158 OG1 THR A 12 -4.423 -17.392 2.513 1.00 11.05 O ATOM 159 CG2 THR A 12 -2.714 -18.712 1.433 1.00 23.13 C ATOM 0 H THR A 12 -3.813 -15.567 3.364 1.00 23.21 H new ATOM 0 HA THR A 12 -1.473 -17.021 2.831 1.00 70.24 H new ATOM 0 HB THR A 12 -3.550 -16.887 0.707 1.00 12.30 H new ATOM 0 HG1 THR A 12 -5.095 -17.972 2.097 1.00 11.05 H new ATOM 0 HG21 THR A 12 -3.483 -19.337 0.979 1.00 23.13 H new ATOM 0 HG22 THR A 12 -1.854 -18.654 0.766 1.00 23.13 H new ATOM 0 HG23 THR A 12 -2.407 -19.147 2.384 1.00 23.13 H new ATOM 167 N LEU A 13 -2.037 -14.425 0.920 1.00 22.41 N ATOM 168 CA LEU A 13 -1.463 -13.565 -0.109 1.00 20.12 C ATOM 169 C LEU A 13 -0.082 -13.067 0.306 1.00 53.42 C ATOM 170 O LEU A 13 0.681 -12.562 -0.519 1.00 20.31 O ATOM 171 CB LEU A 13 -2.387 -12.376 -0.381 1.00 25.42 C ATOM 172 CG LEU A 13 -2.291 -11.758 -1.776 1.00 13.21 C ATOM 173 CD1 LEU A 13 -3.544 -10.956 -2.091 1.00 13.41 C ATOM 174 CD2 LEU A 13 -1.052 -10.881 -1.887 1.00 75.12 C ATOM 0 H LEU A 13 -2.862 -14.040 1.380 1.00 22.41 H new ATOM 0 HA LEU A 13 -1.358 -14.152 -1.022 1.00 20.12 H new ATOM 0 HB2 LEU A 13 -3.416 -12.696 -0.217 1.00 25.42 H new ATOM 0 HB3 LEU A 13 -2.174 -11.600 0.354 1.00 25.42 H new ATOM 0 HG LEU A 13 -2.207 -12.564 -2.505 1.00 13.21 H new ATOM 0 HD11 LEU A 13 -3.458 -10.523 -3.088 1.00 13.41 H new ATOM 0 HD12 LEU A 13 -4.414 -11.611 -2.054 1.00 13.41 H new ATOM 0 HD13 LEU A 13 -3.659 -10.158 -1.358 1.00 13.41 H new ATOM 0 HD21 LEU A 13 -1.000 -10.450 -2.887 1.00 75.12 H new ATOM 0 HD22 LEU A 13 -1.105 -10.081 -1.149 1.00 75.12 H new ATOM 0 HD23 LEU A 13 -0.162 -11.484 -1.705 1.00 75.12 H new ATOM 186 N LEU A 14 0.233 -13.213 1.588 1.00 41.31 N ATOM 187 CA LEU A 14 1.524 -12.779 2.113 1.00 75.45 C ATOM 188 C LEU A 14 2.658 -13.203 1.185 1.00 2.32 C ATOM 189 O LEU A 14 3.673 -12.515 1.075 1.00 5.12 O ATOM 190 CB LEU A 14 1.749 -13.359 3.510 1.00 33.01 C ATOM 191 CG LEU A 14 3.045 -12.944 4.208 1.00 75.30 C ATOM 192 CD1 LEU A 14 2.853 -11.633 4.954 1.00 31.11 C ATOM 193 CD2 LEU A 14 3.512 -14.037 5.158 1.00 30.30 C ATOM 0 H LEU A 14 -0.387 -13.628 2.283 1.00 41.31 H new ATOM 0 HA LEU A 14 1.517 -11.691 2.175 1.00 75.45 H new ATOM 0 HB2 LEU A 14 0.910 -13.068 4.142 1.00 33.01 H new ATOM 0 HB3 LEU A 14 1.731 -14.446 3.437 1.00 33.01 H new ATOM 0 HG LEU A 14 3.813 -12.797 3.449 1.00 75.30 H new ATOM 0 HD11 LEU A 14 3.785 -11.354 5.444 1.00 31.11 H new ATOM 0 HD12 LEU A 14 2.565 -10.852 4.250 1.00 31.11 H new ATOM 0 HD13 LEU A 14 2.070 -11.752 5.703 1.00 31.11 H new ATOM 0 HD21 LEU A 14 4.435 -13.725 5.646 1.00 30.30 H new ATOM 0 HD22 LEU A 14 2.745 -14.216 5.912 1.00 30.30 H new ATOM 0 HD23 LEU A 14 3.690 -14.955 4.597 1.00 30.30 H new ATOM 205 N PHE A 15 2.478 -14.338 0.518 1.00 1.22 N ATOM 206 CA PHE A 15 3.486 -14.852 -0.401 1.00 62.53 C ATOM 207 C PHE A 15 2.869 -15.838 -1.389 1.00 32.20 C ATOM 208 O PHE A 15 1.659 -16.064 -1.383 1.00 34.05 O ATOM 209 CB PHE A 15 4.616 -15.532 0.375 1.00 2.54 C ATOM 210 CG PHE A 15 5.472 -14.571 1.150 1.00 23.24 C ATOM 211 CD1 PHE A 15 6.260 -13.639 0.494 1.00 61.53 C ATOM 212 CD2 PHE A 15 5.489 -14.600 2.536 1.00 51.45 C ATOM 213 CE1 PHE A 15 7.049 -12.755 1.205 1.00 64.34 C ATOM 214 CE2 PHE A 15 6.276 -13.718 3.252 1.00 51.51 C ATOM 215 CZ PHE A 15 7.056 -12.793 2.585 1.00 24.43 C ATOM 0 H PHE A 15 1.643 -14.919 0.597 1.00 1.22 H new ATOM 0 HA PHE A 15 3.894 -14.010 -0.960 1.00 62.53 H new ATOM 0 HB2 PHE A 15 4.187 -16.260 1.063 1.00 2.54 H new ATOM 0 HB3 PHE A 15 5.245 -16.085 -0.323 1.00 2.54 H new ATOM 0 HD1 PHE A 15 6.258 -13.603 -0.585 1.00 61.53 H new ATOM 0 HD2 PHE A 15 4.880 -15.320 3.062 1.00 51.45 H new ATOM 0 HE1 PHE A 15 7.660 -12.035 0.681 1.00 64.34 H new ATOM 0 HE2 PHE A 15 6.281 -13.752 4.331 1.00 51.51 H new ATOM 0 HZ PHE A 15 7.670 -12.101 3.142 1.00 24.43 H new ATOM 225 N ARG A 16 3.709 -16.422 -2.237 1.00 45.40 N ATOM 226 CA ARG A 16 3.247 -17.382 -3.232 1.00 42.42 C ATOM 227 C ARG A 16 2.139 -16.782 -4.092 1.00 55.11 C ATOM 228 O ARG A 16 1.381 -17.505 -4.740 1.00 42.35 O ATOM 229 CB ARG A 16 2.745 -18.655 -2.549 1.00 1.21 C ATOM 230 CG ARG A 16 2.395 -19.770 -3.521 1.00 14.24 C ATOM 231 CD ARG A 16 2.279 -21.110 -2.812 1.00 61.40 C ATOM 232 NE ARG A 16 2.749 -22.213 -3.647 1.00 10.14 N ATOM 233 CZ ARG A 16 4.033 -22.483 -3.853 1.00 41.33 C ATOM 234 NH1 ARG A 16 4.970 -21.734 -3.289 1.00 24.04 N ATOM 235 NH2 ARG A 16 4.382 -23.504 -4.626 1.00 11.42 N ATOM 0 H ARG A 16 4.714 -16.247 -2.255 1.00 45.40 H new ATOM 0 HA ARG A 16 4.089 -17.633 -3.877 1.00 42.42 H new ATOM 0 HB2 ARG A 16 3.509 -19.013 -1.859 1.00 1.21 H new ATOM 0 HB3 ARG A 16 1.865 -18.414 -1.953 1.00 1.21 H new ATOM 0 HG2 ARG A 16 1.454 -19.538 -4.019 1.00 14.24 H new ATOM 0 HG3 ARG A 16 3.159 -19.832 -4.296 1.00 14.24 H new ATOM 0 HD2 ARG A 16 2.857 -21.083 -1.888 1.00 61.40 H new ATOM 0 HD3 ARG A 16 1.240 -21.284 -2.533 1.00 61.40 H new ATOM 0 HE ARG A 16 2.053 -22.808 -4.096 1.00 10.14 H new ATOM 0 HH11 ARG A 16 4.706 -20.948 -2.695 1.00 24.04 H new ATOM 0 HH12 ARG A 16 5.955 -21.944 -3.449 1.00 24.04 H new ATOM 0 HH21 ARG A 16 3.664 -24.082 -5.062 1.00 11.42 H new ATOM 0 HH22 ARG A 16 5.368 -23.711 -4.784 1.00 11.42 H new ATOM 249 N CYS A 17 2.049 -15.456 -4.092 1.00 73.14 N ATOM 250 CA CYS A 17 1.033 -14.758 -4.871 1.00 72.20 C ATOM 251 C CYS A 17 0.268 -15.731 -5.763 1.00 73.35 C ATOM 252 O CYS A 17 0.798 -16.226 -6.758 1.00 44.32 O ATOM 253 CB CYS A 17 1.677 -13.664 -5.725 1.00 60.52 C ATOM 254 SG CYS A 17 3.124 -14.223 -6.681 1.00 74.12 S ATOM 0 H CYS A 17 2.668 -14.843 -3.561 1.00 73.14 H new ATOM 0 HA CYS A 17 0.329 -14.300 -4.176 1.00 72.20 H new ATOM 0 HB2 CYS A 17 0.930 -13.269 -6.414 1.00 60.52 H new ATOM 0 HB3 CYS A 17 1.979 -12.842 -5.076 1.00 60.52 H new ATOM 259 N ARG A 18 -0.982 -16.001 -5.400 1.00 50.14 N ATOM 260 CA ARG A 18 -1.820 -16.915 -6.167 1.00 10.01 C ATOM 261 C ARG A 18 -1.977 -16.432 -7.606 1.00 1.33 C ATOM 262 O ARG A 18 -2.327 -17.206 -8.496 1.00 71.14 O ATOM 263 CB ARG A 18 -3.195 -17.052 -5.511 1.00 12.32 C ATOM 264 CG ARG A 18 -3.238 -16.550 -4.077 1.00 15.42 C ATOM 265 CD ARG A 18 -2.276 -17.321 -3.187 1.00 72.12 C ATOM 266 NE ARG A 18 -1.832 -18.565 -3.811 1.00 3.42 N ATOM 267 CZ ARG A 18 -2.518 -19.701 -3.756 1.00 11.42 C ATOM 268 NH1 ARG A 18 -3.675 -19.750 -3.110 1.00 2.53 N ATOM 269 NH2 ARG A 18 -2.048 -20.791 -4.349 1.00 2.44 N ATOM 0 H ARG A 18 -1.436 -15.600 -4.580 1.00 50.14 H new ATOM 0 HA ARG A 18 -1.332 -17.890 -6.181 1.00 10.01 H new ATOM 0 HB2 ARG A 18 -3.927 -16.501 -6.102 1.00 12.32 H new ATOM 0 HB3 ARG A 18 -3.494 -18.100 -5.529 1.00 12.32 H new ATOM 0 HG2 ARG A 18 -2.986 -15.490 -4.054 1.00 15.42 H new ATOM 0 HG3 ARG A 18 -4.251 -16.645 -3.687 1.00 15.42 H new ATOM 0 HD2 ARG A 18 -1.410 -16.698 -2.964 1.00 72.12 H new ATOM 0 HD3 ARG A 18 -2.761 -17.545 -2.237 1.00 72.12 H new ATOM 0 HE ARG A 18 -0.946 -18.561 -4.317 1.00 3.42 H new ATOM 0 HH11 ARG A 18 -4.040 -18.914 -2.654 1.00 2.53 H new ATOM 0 HH12 ARG A 18 -4.200 -20.624 -3.069 1.00 2.53 H new ATOM 0 HH21 ARG A 18 -1.159 -20.757 -4.848 1.00 2.44 H new ATOM 0 HH22 ARG A 18 -2.576 -21.663 -4.306 1.00 2.44 H new ATOM 283 N ARG A 19 -1.716 -15.147 -7.825 1.00 21.12 N ATOM 284 CA ARG A 19 -1.830 -14.560 -9.155 1.00 22.35 C ATOM 285 C ARG A 19 -1.748 -13.038 -9.086 1.00 25.20 C ATOM 286 O ARG A 19 -1.839 -12.450 -8.009 1.00 12.54 O ATOM 287 CB ARG A 19 -3.146 -14.982 -9.810 1.00 52.41 C ATOM 288 CG ARG A 19 -4.332 -14.967 -8.859 1.00 51.25 C ATOM 289 CD ARG A 19 -5.649 -14.858 -9.613 1.00 4.12 C ATOM 290 NE ARG A 19 -6.794 -14.798 -8.708 1.00 65.42 N ATOM 291 CZ ARG A 19 -8.054 -14.915 -9.110 1.00 33.22 C ATOM 292 NH1 ARG A 19 -8.330 -15.097 -10.394 1.00 34.33 N ATOM 293 NH2 ARG A 19 -9.042 -14.850 -8.226 1.00 71.41 N ATOM 0 H ARG A 19 -1.424 -14.493 -7.099 1.00 21.12 H new ATOM 0 HA ARG A 19 -0.999 -14.924 -9.759 1.00 22.35 H new ATOM 0 HB2 ARG A 19 -3.355 -14.317 -10.648 1.00 52.41 H new ATOM 0 HB3 ARG A 19 -3.033 -15.986 -10.220 1.00 52.41 H new ATOM 0 HG2 ARG A 19 -4.330 -15.876 -8.258 1.00 51.25 H new ATOM 0 HG3 ARG A 19 -4.236 -14.129 -8.169 1.00 51.25 H new ATOM 0 HD2 ARG A 19 -5.635 -13.966 -10.240 1.00 4.12 H new ATOM 0 HD3 ARG A 19 -5.758 -15.714 -10.279 1.00 4.12 H new ATOM 0 HE ARG A 19 -6.616 -14.659 -7.713 1.00 65.42 H new ATOM 0 HH11 ARG A 19 -7.573 -15.148 -11.076 1.00 34.33 H new ATOM 0 HH12 ARG A 19 -9.299 -15.187 -10.700 1.00 34.33 H new ATOM 0 HH21 ARG A 19 -8.833 -14.710 -7.237 1.00 71.41 H new ATOM 0 HH22 ARG A 19 -10.010 -14.940 -8.535 1.00 71.41 H new ATOM 307 N ASP A 20 -1.574 -12.408 -10.242 1.00 42.32 N ATOM 308 CA ASP A 20 -1.480 -10.954 -10.314 1.00 24.20 C ATOM 309 C ASP A 20 -2.641 -10.297 -9.574 1.00 63.31 C ATOM 310 O ASP A 20 -2.474 -9.259 -8.935 1.00 12.25 O ATOM 311 CB ASP A 20 -1.462 -10.494 -11.773 1.00 35.35 C ATOM 312 CG ASP A 20 -0.358 -11.154 -12.575 1.00 31.13 C ATOM 313 OD1 ASP A 20 -0.586 -12.266 -13.095 1.00 15.10 O ATOM 314 OD2 ASP A 20 0.735 -10.559 -12.682 1.00 12.05 O ATOM 0 H ASP A 20 -1.495 -12.881 -11.142 1.00 42.32 H new ATOM 0 HA ASP A 20 -0.549 -10.651 -9.835 1.00 24.20 H new ATOM 0 HB2 ASP A 20 -2.425 -10.717 -12.233 1.00 35.35 H new ATOM 0 HB3 ASP A 20 -1.335 -9.412 -11.808 1.00 35.35 H new ATOM 319 N SER A 21 -3.817 -10.909 -9.667 1.00 20.31 N ATOM 320 CA SER A 21 -5.007 -10.381 -9.010 1.00 73.35 C ATOM 321 C SER A 21 -4.750 -10.148 -7.525 1.00 32.52 C ATOM 322 O SER A 21 -5.419 -9.334 -6.888 1.00 22.20 O ATOM 323 CB SER A 21 -6.184 -11.342 -9.192 1.00 21.24 C ATOM 324 OG SER A 21 -6.570 -11.425 -10.553 1.00 22.24 O ATOM 0 H SER A 21 -3.971 -11.771 -10.191 1.00 20.31 H new ATOM 0 HA SER A 21 -5.253 -9.425 -9.472 1.00 73.35 H new ATOM 0 HB2 SER A 21 -5.909 -12.332 -8.828 1.00 21.24 H new ATOM 0 HB3 SER A 21 -7.029 -11.005 -8.591 1.00 21.24 H new ATOM 0 HG SER A 21 -7.322 -12.046 -10.642 1.00 22.24 H new ATOM 330 N ASP A 22 -3.777 -10.869 -6.979 1.00 62.44 N ATOM 331 CA ASP A 22 -3.429 -10.742 -5.569 1.00 12.22 C ATOM 332 C ASP A 22 -3.270 -9.276 -5.179 1.00 3.41 C ATOM 333 O ASP A 22 -3.671 -8.865 -4.090 1.00 3.44 O ATOM 334 CB ASP A 22 -2.139 -11.506 -5.269 1.00 4.45 C ATOM 335 CG ASP A 22 -2.349 -13.007 -5.232 1.00 52.51 C ATOM 336 OD1 ASP A 22 -3.087 -13.523 -6.097 1.00 15.33 O ATOM 337 OD2 ASP A 22 -1.776 -13.665 -4.338 1.00 55.15 O ATOM 0 H ASP A 22 -3.215 -11.548 -7.492 1.00 62.44 H new ATOM 0 HA ASP A 22 -4.240 -11.170 -4.980 1.00 12.22 H new ATOM 0 HB2 ASP A 22 -1.393 -11.265 -6.027 1.00 4.45 H new ATOM 0 HB3 ASP A 22 -1.739 -11.175 -4.311 1.00 4.45 H new ATOM 342 N CYS A 23 -2.681 -8.491 -6.075 1.00 65.12 N ATOM 343 CA CYS A 23 -2.466 -7.071 -5.825 1.00 41.04 C ATOM 344 C CYS A 23 -3.211 -6.220 -6.849 1.00 54.24 C ATOM 345 O CYS A 23 -2.955 -6.285 -8.052 1.00 15.11 O ATOM 346 CB CYS A 23 -0.972 -6.745 -5.866 1.00 4.22 C ATOM 347 SG CYS A 23 -0.164 -6.754 -4.233 1.00 13.31 S ATOM 0 H CYS A 23 -2.344 -8.815 -6.982 1.00 65.12 H new ATOM 0 HA CYS A 23 -2.855 -6.839 -4.833 1.00 41.04 H new ATOM 0 HB2 CYS A 23 -0.471 -7.467 -6.511 1.00 4.22 H new ATOM 0 HB3 CYS A 23 -0.837 -5.764 -6.321 1.00 4.22 H new ATOM 352 N PRO A 24 -4.156 -5.401 -6.363 1.00 32.51 N ATOM 353 CA PRO A 24 -4.958 -4.521 -7.218 1.00 63.11 C ATOM 354 C PRO A 24 -4.135 -3.381 -7.808 1.00 54.35 C ATOM 355 O PRO A 24 -4.190 -3.120 -9.010 1.00 24.44 O ATOM 356 CB PRO A 24 -6.023 -3.974 -6.265 1.00 31.34 C ATOM 357 CG PRO A 24 -5.401 -4.058 -4.913 1.00 72.25 C ATOM 358 CD PRO A 24 -4.514 -5.272 -4.940 1.00 74.35 C ATOM 0 HA PRO A 24 -5.368 -5.051 -8.078 1.00 63.11 H new ATOM 0 HB2 PRO A 24 -6.288 -2.947 -6.516 1.00 31.34 H new ATOM 0 HB3 PRO A 24 -6.940 -4.562 -6.316 1.00 31.34 H new ATOM 0 HG2 PRO A 24 -4.826 -3.159 -4.692 1.00 72.25 H new ATOM 0 HG3 PRO A 24 -6.162 -4.148 -4.138 1.00 72.25 H new ATOM 0 HD2 PRO A 24 -3.632 -5.139 -4.314 1.00 74.35 H new ATOM 0 HD3 PRO A 24 -5.034 -6.158 -4.574 1.00 74.35 H new ATOM 366 N GLY A 25 -3.373 -2.703 -6.955 1.00 72.12 N ATOM 367 CA GLY A 25 -2.550 -1.599 -7.412 1.00 10.53 C ATOM 368 C GLY A 25 -1.463 -2.043 -8.370 1.00 53.15 C ATOM 369 O GLY A 25 -1.598 -3.067 -9.040 1.00 43.52 O ATOM 0 H GLY A 25 -3.311 -2.899 -5.956 1.00 72.12 H new ATOM 0 HA2 GLY A 25 -3.181 -0.858 -7.902 1.00 10.53 H new ATOM 0 HA3 GLY A 25 -2.094 -1.110 -6.551 1.00 10.53 H new ATOM 373 N ALA A 26 -0.384 -1.270 -8.438 1.00 61.51 N ATOM 374 CA ALA A 26 0.730 -1.590 -9.322 1.00 22.42 C ATOM 375 C ALA A 26 1.307 -2.966 -9.002 1.00 52.55 C ATOM 376 O ALA A 26 1.427 -3.819 -9.882 1.00 25.01 O ATOM 377 CB ALA A 26 1.811 -0.525 -9.215 1.00 42.01 C ATOM 0 H ALA A 26 -0.258 -0.418 -7.892 1.00 61.51 H new ATOM 0 HA ALA A 26 0.355 -1.611 -10.345 1.00 22.42 H new ATOM 0 HB1 ALA A 26 2.637 -0.777 -9.880 1.00 42.01 H new ATOM 0 HB2 ALA A 26 1.398 0.443 -9.499 1.00 42.01 H new ATOM 0 HB3 ALA A 26 2.174 -0.477 -8.188 1.00 42.01 H new ATOM 383 N CYS A 27 1.662 -3.174 -7.739 1.00 64.12 N ATOM 384 CA CYS A 27 2.228 -4.445 -7.303 1.00 73.23 C ATOM 385 C CYS A 27 1.559 -5.613 -8.022 1.00 71.23 C ATOM 386 O CYS A 27 0.360 -5.580 -8.299 1.00 55.24 O ATOM 387 CB CYS A 27 2.069 -4.605 -5.790 1.00 64.50 C ATOM 388 SG CYS A 27 0.572 -3.820 -5.112 1.00 3.33 S ATOM 0 H CYS A 27 1.568 -2.478 -6.999 1.00 64.12 H new ATOM 0 HA CYS A 27 3.289 -4.447 -7.553 1.00 73.23 H new ATOM 0 HB2 CYS A 27 2.050 -5.668 -5.548 1.00 64.50 H new ATOM 0 HB3 CYS A 27 2.944 -4.181 -5.297 1.00 64.50 H new ATOM 0 HG CYS A 27 0.704 -2.527 -5.152 1.00 3.33 H new ATOM 393 N ILE A 28 2.343 -6.644 -8.321 1.00 15.21 N ATOM 394 CA ILE A 28 1.826 -7.822 -9.006 1.00 21.20 C ATOM 395 C ILE A 28 2.593 -9.075 -8.598 1.00 31.52 C ATOM 396 O ILE A 28 3.670 -8.993 -8.006 1.00 15.21 O ATOM 397 CB ILE A 28 1.903 -7.663 -10.536 1.00 14.41 C ATOM 398 CG1 ILE A 28 3.285 -7.154 -10.949 1.00 2.31 C ATOM 399 CG2 ILE A 28 0.816 -6.717 -11.025 1.00 1.53 C ATOM 400 CD1 ILE A 28 3.407 -6.868 -12.429 1.00 75.45 C ATOM 0 H ILE A 28 3.338 -6.687 -8.100 1.00 15.21 H new ATOM 0 HA ILE A 28 0.782 -7.925 -8.712 1.00 21.20 H new ATOM 0 HB ILE A 28 1.744 -8.638 -10.997 1.00 14.41 H new ATOM 0 HG12 ILE A 28 3.509 -6.244 -10.392 1.00 2.31 H new ATOM 0 HG13 ILE A 28 4.035 -7.894 -10.667 1.00 2.31 H new ATOM 0 HG21 ILE A 28 0.883 -6.615 -12.108 1.00 1.53 H new ATOM 0 HG22 ILE A 28 -0.162 -7.118 -10.758 1.00 1.53 H new ATOM 0 HG23 ILE A 28 0.947 -5.740 -10.559 1.00 1.53 H new ATOM 0 HD11 ILE A 28 4.413 -6.511 -12.649 1.00 75.45 H new ATOM 0 HD12 ILE A 28 3.215 -7.781 -12.993 1.00 75.45 H new ATOM 0 HD13 ILE A 28 2.681 -6.106 -12.713 1.00 75.45 H new ATOM 412 N CYS A 29 2.032 -10.236 -8.920 1.00 23.55 N ATOM 413 CA CYS A 29 2.663 -11.509 -8.588 1.00 52.53 C ATOM 414 C CYS A 29 3.889 -11.752 -9.464 1.00 34.32 C ATOM 415 O CYS A 29 3.806 -11.709 -10.691 1.00 71.34 O ATOM 416 CB CYS A 29 1.665 -12.656 -8.758 1.00 52.32 C ATOM 417 SG CYS A 29 2.426 -14.311 -8.750 1.00 41.31 S ATOM 0 H CYS A 29 1.142 -10.322 -9.410 1.00 23.55 H new ATOM 0 HA CYS A 29 2.984 -11.467 -7.547 1.00 52.53 H new ATOM 0 HB2 CYS A 29 0.927 -12.603 -7.957 1.00 52.32 H new ATOM 0 HB3 CYS A 29 1.127 -12.520 -9.696 1.00 52.32 H new ATOM 422 N ARG A 30 5.025 -12.008 -8.823 1.00 73.44 N ATOM 423 CA ARG A 30 6.268 -12.258 -9.543 1.00 72.10 C ATOM 424 C ARG A 30 7.031 -13.424 -8.921 1.00 41.13 C ATOM 425 O ARG A 30 6.597 -14.003 -7.927 1.00 21.53 O ATOM 426 CB ARG A 30 7.143 -11.003 -9.543 1.00 20.43 C ATOM 427 CG ARG A 30 6.513 -9.821 -8.824 1.00 72.45 C ATOM 428 CD ARG A 30 7.145 -9.597 -7.460 1.00 31.33 C ATOM 429 NE ARG A 30 7.878 -8.336 -7.396 1.00 53.44 N ATOM 430 CZ ARG A 30 9.160 -8.214 -7.719 1.00 44.32 C ATOM 431 NH1 ARG A 30 9.848 -9.271 -8.126 1.00 64.52 N ATOM 432 NH2 ARG A 30 9.757 -7.032 -7.636 1.00 4.43 N ATOM 0 H ARG A 30 5.110 -12.048 -7.807 1.00 73.44 H new ATOM 0 HA ARG A 30 6.018 -12.518 -10.572 1.00 72.10 H new ATOM 0 HB2 ARG A 30 8.098 -11.236 -9.073 1.00 20.43 H new ATOM 0 HB3 ARG A 30 7.356 -10.719 -10.574 1.00 20.43 H new ATOM 0 HG2 ARG A 30 6.626 -8.922 -9.431 1.00 72.45 H new ATOM 0 HG3 ARG A 30 5.443 -9.993 -8.707 1.00 72.45 H new ATOM 0 HD2 ARG A 30 6.368 -9.604 -6.695 1.00 31.33 H new ATOM 0 HD3 ARG A 30 7.822 -10.421 -7.234 1.00 31.33 H new ATOM 0 HE ARG A 30 7.378 -7.503 -7.086 1.00 53.44 H new ATOM 0 HH11 ARG A 30 9.393 -10.181 -8.192 1.00 64.52 H new ATOM 0 HH12 ARG A 30 10.833 -9.174 -8.373 1.00 64.52 H new ATOM 0 HH21 ARG A 30 9.231 -6.216 -7.324 1.00 4.43 H new ATOM 0 HH22 ARG A 30 10.742 -6.940 -7.884 1.00 4.43 H new ATOM 446 N GLY A 31 8.171 -13.763 -9.516 1.00 3.42 N ATOM 447 CA GLY A 31 8.976 -14.858 -9.007 1.00 42.22 C ATOM 448 C GLY A 31 9.397 -14.647 -7.566 1.00 63.44 C ATOM 449 O GLY A 31 9.856 -15.578 -6.905 1.00 13.33 O ATOM 0 H GLY A 31 8.551 -13.299 -10.341 1.00 3.42 H new ATOM 0 HA2 GLY A 31 8.411 -15.787 -9.085 1.00 42.22 H new ATOM 0 HA3 GLY A 31 9.864 -14.972 -9.629 1.00 42.22 H new ATOM 453 N ASN A 32 9.243 -13.420 -7.080 1.00 21.35 N ATOM 454 CA ASN A 32 9.613 -13.090 -5.708 1.00 62.10 C ATOM 455 C ASN A 32 8.739 -13.845 -4.712 1.00 34.32 C ATOM 456 O ASN A 32 8.913 -13.725 -3.500 1.00 45.41 O ATOM 457 CB ASN A 32 9.489 -11.583 -5.473 1.00 21.40 C ATOM 458 CG ASN A 32 8.278 -11.227 -4.633 1.00 73.11 C ATOM 459 OD1 ASN A 32 7.183 -11.021 -5.158 1.00 63.01 O ATOM 460 ND2 ASN A 32 8.469 -11.153 -3.321 1.00 53.31 N ATOM 0 H ASN A 32 8.865 -12.638 -7.615 1.00 21.35 H new ATOM 0 HA ASN A 32 10.649 -13.391 -5.555 1.00 62.10 H new ATOM 0 HB2 ASN A 32 10.390 -11.220 -4.979 1.00 21.40 H new ATOM 0 HB3 ASN A 32 9.424 -11.072 -6.434 1.00 21.40 H new ATOM 0 HD21 ASN A 32 7.691 -10.918 -2.705 1.00 53.31 H new ATOM 0 HD22 ASN A 32 9.394 -11.332 -2.929 1.00 53.31 H new ATOM 467 N GLY A 33 7.796 -14.626 -5.232 1.00 41.44 N ATOM 468 CA GLY A 33 6.908 -15.389 -4.375 1.00 64.43 C ATOM 469 C GLY A 33 5.914 -14.512 -3.641 1.00 43.20 C ATOM 470 O GLY A 33 5.620 -14.742 -2.468 1.00 21.21 O ATOM 0 H GLY A 33 7.632 -14.743 -6.232 1.00 41.44 H new ATOM 0 HA2 GLY A 33 6.368 -16.120 -4.976 1.00 64.43 H new ATOM 0 HA3 GLY A 33 7.500 -15.948 -3.650 1.00 64.43 H new ATOM 474 N TYR A 34 5.397 -13.502 -4.331 1.00 54.14 N ATOM 475 CA TYR A 34 4.433 -12.584 -3.736 1.00 52.22 C ATOM 476 C TYR A 34 4.033 -11.496 -4.728 1.00 11.41 C ATOM 477 O TYR A 34 4.732 -11.247 -5.711 1.00 31.03 O ATOM 478 CB TYR A 34 5.015 -11.949 -2.472 1.00 41.34 C ATOM 479 CG TYR A 34 4.158 -10.842 -1.901 1.00 42.41 C ATOM 480 CD1 TYR A 34 2.952 -11.124 -1.273 1.00 14.21 C ATOM 481 CD2 TYR A 34 4.556 -9.513 -1.989 1.00 21.12 C ATOM 482 CE1 TYR A 34 2.165 -10.115 -0.750 1.00 64.34 C ATOM 483 CE2 TYR A 34 3.777 -8.498 -1.468 1.00 30.22 C ATOM 484 CZ TYR A 34 2.582 -8.804 -0.850 1.00 63.30 C ATOM 485 OH TYR A 34 1.803 -7.797 -0.329 1.00 53.05 O ATOM 0 H TYR A 34 5.629 -13.298 -5.303 1.00 54.14 H new ATOM 0 HA TYR A 34 3.542 -13.154 -3.471 1.00 52.22 H new ATOM 0 HB2 TYR A 34 5.147 -12.722 -1.715 1.00 41.34 H new ATOM 0 HB3 TYR A 34 6.004 -11.551 -2.698 1.00 41.34 H new ATOM 0 HD1 TYR A 34 2.623 -12.150 -1.192 1.00 14.21 H new ATOM 0 HD2 TYR A 34 5.490 -9.270 -2.473 1.00 21.12 H new ATOM 0 HE1 TYR A 34 1.229 -10.352 -0.266 1.00 64.34 H new ATOM 0 HE2 TYR A 34 4.102 -7.471 -1.544 1.00 30.22 H new ATOM 0 HH TYR A 34 1.260 -7.402 -1.042 1.00 53.05 H new ATOM 495 N CYS A 35 2.903 -10.849 -4.462 1.00 51.34 N ATOM 496 CA CYS A 35 2.407 -9.786 -5.329 1.00 64.53 C ATOM 497 C CYS A 35 3.256 -8.526 -5.184 1.00 75.24 C ATOM 498 O CYS A 35 2.791 -7.508 -4.673 1.00 61.03 O ATOM 499 CB CYS A 35 0.947 -9.472 -5.002 1.00 15.15 C ATOM 500 SG CYS A 35 0.718 -8.508 -3.473 1.00 24.15 S ATOM 0 H CYS A 35 2.313 -11.042 -3.653 1.00 51.34 H new ATOM 0 HA CYS A 35 2.474 -10.131 -6.361 1.00 64.53 H new ATOM 0 HB2 CYS A 35 0.510 -8.921 -5.835 1.00 15.15 H new ATOM 0 HB3 CYS A 35 0.396 -10.408 -4.914 1.00 15.15 H new ATOM 505 N GLY A 36 4.503 -8.603 -5.639 1.00 32.11 N ATOM 506 CA GLY A 36 5.396 -7.463 -5.551 1.00 51.31 C ATOM 507 C GLY A 36 5.268 -6.533 -6.742 1.00 20.14 C ATOM 508 O GLY A 36 5.275 -6.979 -7.889 1.00 3.30 O ATOM 0 H GLY A 36 4.910 -9.435 -6.067 1.00 32.11 H new ATOM 0 HA2 GLY A 36 5.184 -6.909 -4.637 1.00 51.31 H new ATOM 0 HA3 GLY A 36 6.425 -7.816 -5.478 1.00 51.31 H new TER 512 GLY A 36