USER MOD reduce.3.24.130724 H: found=0, std=0, add=253, rem=0, adj=7 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 -47:sc= -24.3! USER MOD Set 1.2: A 35 CYS SG : rot 178:sc= -25.5! USER MOD Set 2.1: A 8 THR OG1 : rot 180:sc= -0.087 USER MOD Set 2.2: A 34 TYR OH : rot 180:sc= -0.675 USER MOD Single : A 1 GLY N :NH3+ -175:sc= 0 (180deg=-0.035) USER MOD Single : A 5 ASN : amide:sc= -1.59 X(o=-1.6,f=-1.8!) 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= -5.73 K(o=-5.7,f=-11!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -4.304 1.495 -0.576 1.00 31.03 N ATOM 2 CA GLY A 1 -2.946 1.124 -0.222 1.00 74.45 C ATOM 3 C GLY A 1 -2.142 0.658 -1.420 1.00 53.43 C ATOM 4 O GLY A 1 -0.970 1.006 -1.563 1.00 64.31 O ATOM 0 H1 GLY A 1 -4.786 1.886 0.259 1.00 31.03 H new ATOM 0 H2 GLY A 1 -4.283 2.211 -1.330 1.00 31.03 H new ATOM 0 H3 GLY A 1 -4.817 0.655 -0.910 1.00 31.03 H new ATOM 0 HA2 GLY A 1 -2.447 1.978 0.237 1.00 74.45 H new ATOM 0 HA3 GLY A 1 -2.972 0.331 0.525 1.00 74.45 H new ATOM 8 N CYS A 2 -2.773 -0.131 -2.283 1.00 65.34 N ATOM 9 CA CYS A 2 -2.108 -0.647 -3.474 1.00 74.42 C ATOM 10 C CYS A 2 -2.738 -0.073 -4.740 1.00 71.31 C ATOM 11 O CYS A 2 -2.899 -0.775 -5.739 1.00 24.31 O ATOM 12 CB CYS A 2 -2.182 -2.175 -3.503 1.00 24.33 C ATOM 13 SG CYS A 2 -0.581 -2.991 -3.806 1.00 11.14 S ATOM 0 H CYS A 2 -3.744 -0.427 -2.180 1.00 65.34 H new ATOM 0 HA CYS A 2 -1.063 -0.341 -3.438 1.00 74.42 H new ATOM 0 HB2 CYS A 2 -2.583 -2.527 -2.552 1.00 24.33 H new ATOM 0 HB3 CYS A 2 -2.885 -2.479 -4.278 1.00 24.33 H new ATOM 18 N ILE A 3 -3.092 1.206 -4.690 1.00 51.41 N ATOM 19 CA ILE A 3 -3.703 1.875 -5.833 1.00 25.25 C ATOM 20 C ILE A 3 -4.848 1.047 -6.406 1.00 43.32 C ATOM 21 O ILE A 3 -4.655 0.257 -7.331 1.00 42.44 O ATOM 22 CB ILE A 3 -2.671 2.144 -6.944 1.00 73.13 C ATOM 23 CG1 ILE A 3 -1.454 2.876 -6.375 1.00 31.51 C ATOM 24 CG2 ILE A 3 -3.303 2.951 -8.069 1.00 31.13 C ATOM 25 CD1 ILE A 3 -0.369 3.129 -7.398 1.00 2.55 C ATOM 0 H ILE A 3 -2.967 1.801 -3.871 1.00 51.41 H new ATOM 0 HA ILE A 3 -4.092 2.827 -5.472 1.00 25.25 H new ATOM 0 HB ILE A 3 -2.339 1.188 -7.350 1.00 73.13 H new ATOM 0 HG12 ILE A 3 -1.777 3.829 -5.956 1.00 31.51 H new ATOM 0 HG13 ILE A 3 -1.039 2.291 -5.554 1.00 31.51 H new ATOM 0 HG21 ILE A 3 -2.562 3.133 -8.847 1.00 31.13 H new ATOM 0 HG22 ILE A 3 -4.141 2.395 -8.489 1.00 31.13 H new ATOM 0 HG23 ILE A 3 -3.660 3.904 -7.677 1.00 31.13 H new ATOM 0 HD11 ILE A 3 0.463 3.651 -6.925 1.00 2.55 H new ATOM 0 HD12 ILE A 3 -0.019 2.178 -7.800 1.00 2.55 H new ATOM 0 HD13 ILE A 3 -0.768 3.740 -8.208 1.00 2.55 H new ATOM 37 N LEU A 4 -6.041 1.235 -5.853 1.00 23.44 N ATOM 38 CA LEU A 4 -7.219 0.507 -6.310 1.00 73.12 C ATOM 39 C LEU A 4 -7.016 -0.999 -6.175 1.00 11.21 C ATOM 40 O LEU A 4 -6.565 -1.661 -7.109 1.00 13.51 O ATOM 41 CB LEU A 4 -7.529 0.862 -7.765 1.00 54.43 C ATOM 42 CG LEU A 4 -8.679 1.846 -7.985 1.00 52.15 C ATOM 43 CD1 LEU A 4 -9.996 1.241 -7.523 1.00 65.34 C ATOM 44 CD2 LEU A 4 -8.408 3.155 -7.258 1.00 43.15 C ATOM 0 H LEU A 4 -6.218 1.885 -5.087 1.00 23.44 H new ATOM 0 HA LEU A 4 -8.061 0.799 -5.683 1.00 73.12 H new ATOM 0 HB2 LEU A 4 -6.629 1.279 -8.216 1.00 54.43 H new ATOM 0 HB3 LEU A 4 -7.757 -0.059 -8.302 1.00 54.43 H new ATOM 0 HG LEU A 4 -8.753 2.055 -9.052 1.00 52.15 H new ATOM 0 HD11 LEU A 4 -10.802 1.956 -7.687 1.00 65.34 H new ATOM 0 HD12 LEU A 4 -10.197 0.331 -8.089 1.00 65.34 H new ATOM 0 HD13 LEU A 4 -9.934 1.002 -6.461 1.00 65.34 H new ATOM 0 HD21 LEU A 4 -9.237 3.843 -7.426 1.00 43.15 H new ATOM 0 HD22 LEU A 4 -8.306 2.964 -6.190 1.00 43.15 H new ATOM 0 HD23 LEU A 4 -7.487 3.598 -7.637 1.00 43.15 H new ATOM 56 N ASN A 5 -7.354 -1.534 -5.006 1.00 1.40 N ATOM 57 CA ASN A 5 -7.210 -2.962 -4.749 1.00 10.01 C ATOM 58 C ASN A 5 -7.781 -3.329 -3.383 1.00 32.04 C ATOM 59 O ASN A 5 -7.990 -2.464 -2.533 1.00 35.31 O ATOM 60 CB ASN A 5 -5.737 -3.369 -4.825 1.00 31.15 C ATOM 61 CG ASN A 5 -5.212 -3.889 -3.500 1.00 53.01 C ATOM 62 OD1 ASN A 5 -5.034 -5.094 -3.320 1.00 42.33 O ATOM 63 ND2 ASN A 5 -4.963 -2.980 -2.565 1.00 5.20 N ATOM 0 H ASN A 5 -7.729 -1.000 -4.222 1.00 1.40 H new ATOM 0 HA ASN A 5 -7.769 -3.502 -5.513 1.00 10.01 H new ATOM 0 HB2 ASN A 5 -5.614 -4.137 -5.588 1.00 31.15 H new ATOM 0 HB3 ASN A 5 -5.141 -2.511 -5.137 1.00 31.15 H new ATOM 0 HD21 ASN A 5 -4.609 -3.270 -1.653 1.00 5.20 H new ATOM 0 HD22 ASN A 5 -5.125 -1.992 -2.758 1.00 5.20 H new ATOM 70 N GLY A 6 -8.031 -4.619 -3.179 1.00 23.05 N ATOM 71 CA GLY A 6 -8.575 -5.078 -1.914 1.00 23.31 C ATOM 72 C GLY A 6 -7.594 -4.921 -0.769 1.00 45.23 C ATOM 73 O GLY A 6 -7.047 -3.838 -0.556 1.00 33.43 O ATOM 0 H GLY A 6 -7.867 -5.354 -3.867 1.00 23.05 H new ATOM 0 HA2 GLY A 6 -9.484 -4.519 -1.689 1.00 23.31 H new ATOM 0 HA3 GLY A 6 -8.859 -6.126 -2.003 1.00 23.31 H new ATOM 77 N ARG A 7 -7.370 -6.003 -0.030 1.00 53.43 N ATOM 78 CA ARG A 7 -6.451 -5.979 1.101 1.00 44.23 C ATOM 79 C ARG A 7 -5.108 -6.598 0.723 1.00 72.02 C ATOM 80 O ARG A 7 -4.858 -7.775 0.986 1.00 53.10 O ATOM 81 CB ARG A 7 -7.053 -6.728 2.291 1.00 42.40 C ATOM 82 CG ARG A 7 -8.498 -6.355 2.577 1.00 75.45 C ATOM 83 CD ARG A 7 -8.999 -7.007 3.856 1.00 12.11 C ATOM 84 NE ARG A 7 -8.254 -6.555 5.028 1.00 14.02 N ATOM 85 CZ ARG A 7 -8.492 -6.987 6.262 1.00 61.45 C ATOM 86 NH1 ARG A 7 -9.449 -7.878 6.482 1.00 23.25 N ATOM 87 NH2 ARG A 7 -7.771 -6.529 7.277 1.00 52.11 N ATOM 0 H ARG A 7 -7.813 -6.907 -0.195 1.00 53.43 H new ATOM 0 HA ARG A 7 -6.286 -4.939 1.381 1.00 44.23 H new ATOM 0 HB2 ARG A 7 -6.994 -7.800 2.102 1.00 42.40 H new ATOM 0 HB3 ARG A 7 -6.452 -6.527 3.178 1.00 42.40 H new ATOM 0 HG2 ARG A 7 -8.585 -5.272 2.661 1.00 75.45 H new ATOM 0 HG3 ARG A 7 -9.126 -6.662 1.741 1.00 75.45 H new ATOM 0 HD2 ARG A 7 -10.057 -6.780 3.989 1.00 12.11 H new ATOM 0 HD3 ARG A 7 -8.914 -8.090 3.768 1.00 12.11 H new ATOM 0 HE ARG A 7 -7.510 -5.870 4.892 1.00 14.02 H new ATOM 0 HH11 ARG A 7 -10.004 -8.233 5.703 1.00 23.25 H new ATOM 0 HH12 ARG A 7 -9.630 -8.208 7.430 1.00 23.25 H new ATOM 0 HH21 ARG A 7 -7.033 -5.845 7.111 1.00 52.11 H new ATOM 0 HH22 ARG A 7 -7.954 -6.861 8.224 1.00 52.11 H new ATOM 101 N THR A 8 -4.246 -5.798 0.103 1.00 13.52 N ATOM 102 CA THR A 8 -2.931 -6.267 -0.313 1.00 4.54 C ATOM 103 C THR A 8 -2.213 -6.975 0.831 1.00 41.04 C ATOM 104 O THR A 8 -2.484 -6.714 2.003 1.00 62.02 O ATOM 105 CB THR A 8 -2.052 -5.104 -0.813 1.00 72.42 C ATOM 106 OG1 THR A 8 -0.713 -5.562 -1.032 1.00 50.43 O ATOM 107 CG2 THR A 8 -2.045 -3.960 0.189 1.00 33.44 C ATOM 0 H THR A 8 -4.436 -4.821 -0.122 1.00 13.52 H new ATOM 0 HA THR A 8 -3.090 -6.970 -1.130 1.00 4.54 H new ATOM 0 HB THR A 8 -2.469 -4.740 -1.752 1.00 72.42 H new ATOM 0 HG1 THR A 8 -0.161 -4.818 -1.351 1.00 50.43 H new ATOM 0 HG21 THR A 8 -1.418 -3.151 -0.186 1.00 33.44 H new ATOM 0 HG22 THR A 8 -3.062 -3.594 0.331 1.00 33.44 H new ATOM 0 HG23 THR A 8 -1.650 -4.313 1.142 1.00 33.44 H new ATOM 115 N ASP A 9 -1.296 -7.871 0.482 1.00 35.42 N ATOM 116 CA ASP A 9 -0.538 -8.617 1.480 1.00 2.31 C ATOM 117 C ASP A 9 -1.466 -9.215 2.533 1.00 63.02 C ATOM 118 O ASP A 9 -1.584 -8.691 3.641 1.00 21.44 O ATOM 119 CB ASP A 9 0.495 -7.709 2.150 1.00 51.34 C ATOM 120 CG ASP A 9 1.697 -8.478 2.662 1.00 52.14 C ATOM 121 OD1 ASP A 9 1.511 -9.614 3.146 1.00 2.53 O ATOM 122 OD2 ASP A 9 2.823 -7.944 2.578 1.00 11.14 O ATOM 0 H ASP A 9 -1.060 -8.098 -0.484 1.00 35.42 H new ATOM 0 HA ASP A 9 -0.021 -9.432 0.973 1.00 2.31 H new ATOM 0 HB2 ASP A 9 0.827 -6.954 1.437 1.00 51.34 H new ATOM 0 HB3 ASP A 9 0.026 -7.180 2.979 1.00 51.34 H new ATOM 127 N LEU A 10 -2.123 -10.314 2.179 1.00 50.24 N ATOM 128 CA LEU A 10 -3.042 -10.984 3.092 1.00 0.44 C ATOM 129 C LEU A 10 -2.758 -12.481 3.150 1.00 70.24 C ATOM 130 O LEU A 10 -2.758 -13.163 2.126 1.00 52.15 O ATOM 131 CB LEU A 10 -4.489 -10.744 2.659 1.00 51.54 C ATOM 132 CG LEU A 10 -5.430 -10.198 3.733 1.00 12.22 C ATOM 133 CD1 LEU A 10 -5.593 -11.205 4.861 1.00 14.31 C ATOM 134 CD2 LEU A 10 -4.914 -8.871 4.271 1.00 63.23 C ATOM 0 H LEU A 10 -2.036 -10.760 1.266 1.00 50.24 H new ATOM 0 HA LEU A 10 -2.894 -10.566 4.088 1.00 0.44 H new ATOM 0 HB2 LEU A 10 -4.485 -10.048 1.820 1.00 51.54 H new ATOM 0 HB3 LEU A 10 -4.898 -11.685 2.291 1.00 51.54 H new ATOM 0 HG LEU A 10 -6.407 -10.028 3.280 1.00 12.22 H new ATOM 0 HD11 LEU A 10 -6.266 -10.799 5.616 1.00 14.31 H new ATOM 0 HD12 LEU A 10 -6.009 -12.131 4.464 1.00 14.31 H new ATOM 0 HD13 LEU A 10 -4.621 -11.407 5.312 1.00 14.31 H new ATOM 0 HD21 LEU A 10 -5.597 -8.498 5.034 1.00 63.23 H new ATOM 0 HD22 LEU A 10 -3.926 -9.015 4.707 1.00 63.23 H new ATOM 0 HD23 LEU A 10 -4.850 -8.149 3.457 1.00 63.23 H new ATOM 146 N GLY A 11 -2.518 -12.987 4.355 1.00 21.45 N ATOM 147 CA GLY A 11 -2.238 -14.401 4.524 1.00 31.31 C ATOM 148 C GLY A 11 -1.970 -15.101 3.206 1.00 15.32 C ATOM 149 O GLY A 11 -0.828 -15.172 2.753 1.00 43.15 O ATOM 0 H GLY A 11 -2.512 -12.443 5.218 1.00 21.45 H new ATOM 0 HA2 GLY A 11 -1.374 -14.522 5.178 1.00 31.31 H new ATOM 0 HA3 GLY A 11 -3.083 -14.879 5.020 1.00 31.31 H new ATOM 153 N THR A 12 -3.027 -15.621 2.589 1.00 43.13 N ATOM 154 CA THR A 12 -2.900 -16.321 1.317 1.00 54.24 C ATOM 155 C THR A 12 -2.026 -15.539 0.343 1.00 2.23 C ATOM 156 O THR A 12 -0.989 -16.028 -0.107 1.00 20.42 O ATOM 157 CB THR A 12 -4.277 -16.564 0.670 1.00 32.12 C ATOM 158 OG1 THR A 12 -4.138 -16.683 -0.750 1.00 4.20 O ATOM 159 CG2 THR A 12 -5.237 -15.430 0.997 1.00 2.15 C ATOM 0 H THR A 12 -3.980 -15.570 2.950 1.00 43.13 H new ATOM 0 HA THR A 12 -2.431 -17.282 1.531 1.00 54.24 H new ATOM 0 HB THR A 12 -4.684 -17.491 1.074 1.00 32.12 H new ATOM 0 HG1 THR A 12 -5.018 -16.839 -1.153 1.00 4.20 H new ATOM 0 HG21 THR A 12 -6.202 -15.624 0.529 1.00 2.15 H new ATOM 0 HG22 THR A 12 -5.365 -15.361 2.077 1.00 2.15 H new ATOM 0 HG23 THR A 12 -4.833 -14.491 0.619 1.00 2.15 H new ATOM 167 N LEU A 13 -2.449 -14.321 0.022 1.00 21.23 N ATOM 168 CA LEU A 13 -1.703 -13.470 -0.898 1.00 61.02 C ATOM 169 C LEU A 13 -0.448 -12.916 -0.232 1.00 1.24 C ATOM 170 O LEU A 13 0.446 -12.396 -0.901 1.00 54.41 O ATOM 171 CB LEU A 13 -2.584 -12.320 -1.388 1.00 53.22 C ATOM 172 CG LEU A 13 -1.938 -11.356 -2.384 1.00 3.25 C ATOM 173 CD1 LEU A 13 -1.167 -10.269 -1.650 1.00 52.24 C ATOM 174 CD2 LEU A 13 -1.023 -12.109 -3.338 1.00 60.12 C ATOM 0 H LEU A 13 -3.305 -13.901 0.385 1.00 21.23 H new ATOM 0 HA LEU A 13 -1.401 -14.077 -1.751 1.00 61.02 H new ATOM 0 HB2 LEU A 13 -3.476 -12.744 -1.849 1.00 53.22 H new ATOM 0 HB3 LEU A 13 -2.915 -11.748 -0.521 1.00 53.22 H new ATOM 0 HG LEU A 13 -2.728 -10.883 -2.967 1.00 3.25 H new ATOM 0 HD11 LEU A 13 -0.714 -9.592 -2.374 1.00 52.24 H new ATOM 0 HD12 LEU A 13 -1.848 -9.710 -1.008 1.00 52.24 H new ATOM 0 HD13 LEU A 13 -0.386 -10.725 -1.041 1.00 52.24 H new ATOM 0 HD21 LEU A 13 -0.572 -11.407 -4.040 1.00 60.12 H new ATOM 0 HD22 LEU A 13 -0.238 -12.610 -2.771 1.00 60.12 H new ATOM 0 HD23 LEU A 13 -1.602 -12.851 -3.888 1.00 60.12 H new ATOM 186 N LEU A 14 -0.386 -13.032 1.090 1.00 20.23 N ATOM 187 CA LEU A 14 0.761 -12.545 1.848 1.00 2.14 C ATOM 188 C LEU A 14 2.069 -12.929 1.164 1.00 41.11 C ATOM 189 O LEU A 14 3.061 -12.205 1.247 1.00 4.12 O ATOM 190 CB LEU A 14 0.733 -13.106 3.271 1.00 31.21 C ATOM 191 CG LEU A 14 1.560 -12.347 4.309 1.00 43.32 C ATOM 192 CD1 LEU A 14 0.660 -11.492 5.187 1.00 2.32 C ATOM 193 CD2 LEU A 14 2.372 -13.315 5.157 1.00 73.43 C ATOM 0 H LEU A 14 -1.117 -13.459 1.659 1.00 20.23 H new ATOM 0 HA LEU A 14 0.701 -11.458 1.891 1.00 2.14 H new ATOM 0 HB2 LEU A 14 -0.303 -13.132 3.609 1.00 31.21 H new ATOM 0 HB3 LEU A 14 1.084 -14.138 3.240 1.00 31.21 H new ATOM 0 HG LEU A 14 2.252 -11.689 3.783 1.00 43.32 H new ATOM 0 HD11 LEU A 14 1.266 -10.959 5.920 1.00 2.32 H new ATOM 0 HD12 LEU A 14 0.124 -10.773 4.568 1.00 2.32 H new ATOM 0 HD13 LEU A 14 -0.057 -12.130 5.704 1.00 2.32 H new ATOM 0 HD21 LEU A 14 2.954 -12.756 5.890 1.00 73.43 H new ATOM 0 HD22 LEU A 14 1.699 -13.999 5.673 1.00 73.43 H new ATOM 0 HD23 LEU A 14 3.046 -13.884 4.516 1.00 73.43 H new ATOM 205 N PHE A 15 2.063 -14.072 0.486 1.00 54.44 N ATOM 206 CA PHE A 15 3.248 -14.552 -0.215 1.00 2.41 C ATOM 207 C PHE A 15 2.877 -15.609 -1.250 1.00 62.33 C ATOM 208 O PHE A 15 1.712 -15.983 -1.381 1.00 74.21 O ATOM 209 CB PHE A 15 4.257 -15.128 0.781 1.00 35.20 C ATOM 210 CG PHE A 15 5.024 -14.078 1.532 1.00 23.44 C ATOM 211 CD1 PHE A 15 5.756 -13.118 0.853 1.00 0.42 C ATOM 212 CD2 PHE A 15 5.014 -14.052 2.918 1.00 71.14 C ATOM 213 CE1 PHE A 15 6.464 -12.151 1.542 1.00 20.13 C ATOM 214 CE2 PHE A 15 5.720 -13.088 3.612 1.00 13.31 C ATOM 215 CZ PHE A 15 6.445 -12.135 2.923 1.00 32.33 C ATOM 0 H PHE A 15 1.250 -14.683 0.407 1.00 54.44 H new ATOM 0 HA PHE A 15 3.701 -13.706 -0.732 1.00 2.41 H new ATOM 0 HB2 PHE A 15 3.730 -15.762 1.494 1.00 35.20 H new ATOM 0 HB3 PHE A 15 4.960 -15.767 0.246 1.00 35.20 H new ATOM 0 HD1 PHE A 15 5.774 -13.125 -0.227 1.00 0.42 H new ATOM 0 HD2 PHE A 15 4.448 -14.794 3.462 1.00 71.14 H new ATOM 0 HE1 PHE A 15 7.032 -11.409 1.001 1.00 20.13 H new ATOM 0 HE2 PHE A 15 5.705 -13.080 4.692 1.00 13.31 H new ATOM 0 HZ PHE A 15 6.996 -11.379 3.463 1.00 32.33 H new ATOM 225 N ARG A 16 3.877 -16.087 -1.984 1.00 2.20 N ATOM 226 CA ARG A 16 3.657 -17.100 -3.009 1.00 53.21 C ATOM 227 C ARG A 16 2.460 -16.737 -3.884 1.00 2.23 C ATOM 228 O ARG A 16 1.801 -17.611 -4.446 1.00 71.45 O ATOM 229 CB ARG A 16 3.434 -18.469 -2.364 1.00 12.22 C ATOM 230 CG ARG A 16 3.429 -19.618 -3.359 1.00 2.41 C ATOM 231 CD ARG A 16 2.228 -20.527 -3.154 1.00 71.31 C ATOM 232 NE ARG A 16 2.574 -21.937 -3.318 1.00 3.42 N ATOM 233 CZ ARG A 16 1.856 -22.933 -2.812 1.00 64.31 C ATOM 234 NH1 ARG A 16 0.758 -22.677 -2.115 1.00 4.43 N ATOM 235 NH2 ARG A 16 2.236 -24.190 -3.004 1.00 63.10 N ATOM 0 H ARG A 16 4.848 -15.789 -1.888 1.00 2.20 H new ATOM 0 HA ARG A 16 4.546 -17.143 -3.638 1.00 53.21 H new ATOM 0 HB2 ARG A 16 4.215 -18.644 -1.624 1.00 12.22 H new ATOM 0 HB3 ARG A 16 2.484 -18.459 -1.829 1.00 12.22 H new ATOM 0 HG2 ARG A 16 3.417 -19.221 -4.374 1.00 2.41 H new ATOM 0 HG3 ARG A 16 4.347 -20.196 -3.253 1.00 2.41 H new ATOM 0 HD2 ARG A 16 1.819 -20.368 -2.156 1.00 71.31 H new ATOM 0 HD3 ARG A 16 1.446 -20.261 -3.865 1.00 71.31 H new ATOM 0 HE ARG A 16 3.413 -22.169 -3.850 1.00 3.42 H new ATOM 0 HH11 ARG A 16 0.462 -21.712 -1.966 1.00 4.43 H new ATOM 0 HH12 ARG A 16 0.209 -23.445 -1.728 1.00 4.43 H new ATOM 0 HH21 ARG A 16 3.080 -24.391 -3.540 1.00 63.10 H new ATOM 0 HH22 ARG A 16 1.684 -24.955 -2.615 1.00 63.10 H new ATOM 249 N CYS A 17 2.185 -15.441 -3.993 1.00 20.42 N ATOM 250 CA CYS A 17 1.068 -14.962 -4.797 1.00 50.44 C ATOM 251 C CYS A 17 0.558 -16.058 -5.729 1.00 2.52 C ATOM 252 O CYS A 17 1.275 -16.512 -6.620 1.00 64.03 O ATOM 253 CB CYS A 17 1.489 -13.738 -5.614 1.00 32.01 C ATOM 254 SG CYS A 17 2.975 -14.000 -6.634 1.00 71.43 S ATOM 0 H CYS A 17 2.721 -14.704 -3.534 1.00 20.42 H new ATOM 0 HA CYS A 17 0.261 -14.680 -4.121 1.00 50.44 H new ATOM 0 HB2 CYS A 17 0.663 -13.446 -6.263 1.00 32.01 H new ATOM 0 HB3 CYS A 17 1.670 -12.906 -4.934 1.00 32.01 H new ATOM 259 N ARG A 18 -0.685 -16.477 -5.516 1.00 2.25 N ATOM 260 CA ARG A 18 -1.291 -17.520 -6.335 1.00 5.43 C ATOM 261 C ARG A 18 -1.464 -17.047 -7.775 1.00 74.12 C ATOM 262 O ARG A 18 -1.584 -17.857 -8.694 1.00 70.24 O ATOM 263 CB ARG A 18 -2.645 -17.931 -5.755 1.00 30.12 C ATOM 264 CG ARG A 18 -2.929 -17.332 -4.387 1.00 54.22 C ATOM 265 CD ARG A 18 -1.951 -17.843 -3.341 1.00 15.22 C ATOM 266 NE ARG A 18 -1.241 -19.036 -3.792 1.00 71.31 N ATOM 267 CZ ARG A 18 -1.719 -20.269 -3.662 1.00 24.01 C ATOM 268 NH1 ARG A 18 -2.901 -20.469 -3.097 1.00 73.21 N ATOM 269 NH2 ARG A 18 -1.013 -21.305 -4.098 1.00 2.34 N ATOM 0 H ARG A 18 -1.292 -16.110 -4.783 1.00 2.25 H new ATOM 0 HA ARG A 18 -0.626 -18.383 -6.332 1.00 5.43 H new ATOM 0 HB2 ARG A 18 -3.433 -17.629 -6.445 1.00 30.12 H new ATOM 0 HB3 ARG A 18 -2.684 -19.018 -5.682 1.00 30.12 H new ATOM 0 HG2 ARG A 18 -2.867 -16.245 -4.444 1.00 54.22 H new ATOM 0 HG3 ARG A 18 -3.947 -17.578 -4.085 1.00 54.22 H new ATOM 0 HD2 ARG A 18 -1.230 -17.060 -3.105 1.00 15.22 H new ATOM 0 HD3 ARG A 18 -2.490 -18.068 -2.421 1.00 15.22 H new ATOM 0 HE ARG A 18 -0.328 -18.917 -4.231 1.00 71.31 H new ATOM 0 HH11 ARG A 18 -3.446 -19.675 -2.761 1.00 73.21 H new ATOM 0 HH12 ARG A 18 -3.265 -21.417 -2.999 1.00 73.21 H new ATOM 0 HH21 ARG A 18 -0.103 -21.155 -4.533 1.00 2.34 H new ATOM 0 HH22 ARG A 18 -1.381 -22.251 -3.998 1.00 2.34 H new ATOM 283 N ARG A 19 -1.478 -15.732 -7.963 1.00 42.44 N ATOM 284 CA ARG A 19 -1.639 -15.151 -9.291 1.00 62.42 C ATOM 285 C ARG A 19 -1.898 -13.650 -9.201 1.00 30.42 C ATOM 286 O ARG A 19 -2.356 -13.150 -8.173 1.00 61.13 O ATOM 287 CB ARG A 19 -2.789 -15.835 -10.034 1.00 3.44 C ATOM 288 CG ARG A 19 -2.956 -15.359 -11.467 1.00 42.25 C ATOM 289 CD ARG A 19 -1.690 -15.583 -12.280 1.00 72.40 C ATOM 290 NE ARG A 19 -1.942 -16.382 -13.476 1.00 73.23 N ATOM 291 CZ ARG A 19 -1.050 -16.556 -14.445 1.00 73.41 C ATOM 292 NH1 ARG A 19 0.146 -15.991 -14.359 1.00 30.32 N ATOM 293 NH2 ARG A 19 -1.354 -17.298 -15.503 1.00 11.31 N ATOM 0 H ARG A 19 -1.380 -15.048 -7.213 1.00 42.44 H new ATOM 0 HA ARG A 19 -0.713 -15.309 -9.844 1.00 62.42 H new ATOM 0 HB2 ARG A 19 -2.620 -16.912 -10.035 1.00 3.44 H new ATOM 0 HB3 ARG A 19 -3.717 -15.658 -9.491 1.00 3.44 H new ATOM 0 HG2 ARG A 19 -3.787 -15.888 -11.933 1.00 42.25 H new ATOM 0 HG3 ARG A 19 -3.210 -14.299 -11.472 1.00 42.25 H new ATOM 0 HD2 ARG A 19 -1.270 -14.620 -12.569 1.00 72.40 H new ATOM 0 HD3 ARG A 19 -0.945 -16.083 -11.661 1.00 72.40 H new ATOM 0 HE ARG A 19 -2.853 -16.831 -13.573 1.00 73.23 H new ATOM 0 HH11 ARG A 19 0.384 -15.421 -13.547 1.00 30.32 H new ATOM 0 HH12 ARG A 19 0.829 -16.126 -15.105 1.00 30.32 H new ATOM 0 HH21 ARG A 19 -2.273 -17.735 -15.572 1.00 11.31 H new ATOM 0 HH22 ARG A 19 -0.669 -17.431 -16.247 1.00 11.31 H new ATOM 307 N ASP A 20 -1.602 -12.938 -10.282 1.00 62.13 N ATOM 308 CA ASP A 20 -1.803 -11.494 -10.326 1.00 31.43 C ATOM 309 C ASP A 20 -3.205 -11.127 -9.849 1.00 4.43 C ATOM 310 O ASP A 20 -3.444 -10.006 -9.399 1.00 1.01 O ATOM 311 CB ASP A 20 -1.580 -10.969 -11.745 1.00 23.32 C ATOM 312 CG ASP A 20 -2.803 -11.139 -12.624 1.00 11.40 C ATOM 313 OD1 ASP A 20 -2.932 -12.204 -13.262 1.00 20.44 O ATOM 314 OD2 ASP A 20 -3.631 -10.205 -12.675 1.00 53.02 O ATOM 0 H ASP A 20 -1.222 -13.337 -11.140 1.00 62.13 H new ATOM 0 HA ASP A 20 -1.077 -11.030 -9.658 1.00 31.43 H new ATOM 0 HB2 ASP A 20 -1.312 -9.913 -11.701 1.00 23.32 H new ATOM 0 HB3 ASP A 20 -0.737 -11.493 -12.195 1.00 23.32 H new ATOM 319 N SER A 21 -4.128 -12.077 -9.951 1.00 63.51 N ATOM 320 CA SER A 21 -5.507 -11.852 -9.535 1.00 21.03 C ATOM 321 C SER A 21 -5.569 -11.414 -8.075 1.00 2.52 C ATOM 322 O SER A 21 -6.490 -10.706 -7.666 1.00 42.02 O ATOM 323 CB SER A 21 -6.336 -13.122 -9.733 1.00 61.41 C ATOM 324 OG SER A 21 -6.747 -13.258 -11.083 1.00 2.35 O ATOM 0 H SER A 21 -3.946 -13.011 -10.319 1.00 63.51 H new ATOM 0 HA SER A 21 -5.921 -11.056 -10.154 1.00 21.03 H new ATOM 0 HB2 SER A 21 -5.749 -13.992 -9.439 1.00 61.41 H new ATOM 0 HB3 SER A 21 -7.211 -13.093 -9.084 1.00 61.41 H new ATOM 0 HG SER A 21 -7.274 -14.078 -11.184 1.00 2.35 H new ATOM 330 N ASP A 22 -4.582 -11.839 -7.294 1.00 32.03 N ATOM 331 CA ASP A 22 -4.522 -11.490 -5.879 1.00 34.31 C ATOM 332 C ASP A 22 -4.062 -10.048 -5.694 1.00 4.13 C ATOM 333 O ASP A 22 -3.944 -9.562 -4.568 1.00 73.03 O ATOM 334 CB ASP A 22 -3.580 -12.439 -5.137 1.00 64.23 C ATOM 335 CG ASP A 22 -3.875 -13.897 -5.432 1.00 15.41 C ATOM 336 OD1 ASP A 22 -4.966 -14.371 -5.048 1.00 44.51 O ATOM 337 OD2 ASP A 22 -3.017 -14.563 -6.047 1.00 34.20 O ATOM 0 H ASP A 22 -3.812 -12.426 -7.617 1.00 32.03 H new ATOM 0 HA ASP A 22 -5.525 -11.588 -5.463 1.00 34.31 H new ATOM 0 HB2 ASP A 22 -2.550 -12.216 -5.417 1.00 64.23 H new ATOM 0 HB3 ASP A 22 -3.664 -12.264 -4.064 1.00 64.23 H new ATOM 342 N CYS A 23 -3.801 -9.368 -6.805 1.00 63.23 N ATOM 343 CA CYS A 23 -3.351 -7.982 -6.767 1.00 10.02 C ATOM 344 C CYS A 23 -4.087 -7.142 -7.807 1.00 61.41 C ATOM 345 O CYS A 23 -3.556 -6.821 -8.871 1.00 31.44 O ATOM 346 CB CYS A 23 -1.842 -7.906 -7.009 1.00 33.41 C ATOM 347 SG CYS A 23 -0.936 -9.413 -6.531 1.00 51.31 S ATOM 0 H CYS A 23 -3.894 -9.755 -7.744 1.00 63.23 H new ATOM 0 HA CYS A 23 -3.574 -7.581 -5.778 1.00 10.02 H new ATOM 0 HB2 CYS A 23 -1.664 -7.707 -8.066 1.00 33.41 H new ATOM 0 HB3 CYS A 23 -1.438 -7.060 -6.453 1.00 33.41 H new ATOM 0 HG CYS A 23 -1.321 -9.794 -5.349 1.00 51.31 H new ATOM 352 N PRO A 24 -5.339 -6.777 -7.494 1.00 72.45 N ATOM 353 CA PRO A 24 -6.175 -5.970 -8.388 1.00 42.11 C ATOM 354 C PRO A 24 -5.680 -4.532 -8.503 1.00 22.13 C ATOM 355 O PRO A 24 -6.224 -3.737 -9.268 1.00 31.13 O ATOM 356 CB PRO A 24 -7.551 -6.010 -7.719 1.00 51.11 C ATOM 357 CG PRO A 24 -7.265 -6.259 -6.279 1.00 21.25 C ATOM 358 CD PRO A 24 -6.036 -7.124 -6.244 1.00 65.52 C ATOM 0 HA PRO A 24 -6.171 -6.355 -9.408 1.00 42.11 H new ATOM 0 HB2 PRO A 24 -8.087 -5.071 -7.860 1.00 51.11 H new ATOM 0 HB3 PRO A 24 -8.174 -6.799 -8.141 1.00 51.11 H new ATOM 0 HG2 PRO A 24 -7.098 -5.323 -5.747 1.00 21.25 H new ATOM 0 HG3 PRO A 24 -8.106 -6.756 -5.794 1.00 21.25 H new ATOM 0 HD2 PRO A 24 -5.421 -6.913 -5.369 1.00 65.52 H new ATOM 0 HD3 PRO A 24 -6.291 -8.183 -6.207 1.00 65.52 H new ATOM 366 N GLY A 25 -4.643 -4.205 -7.737 1.00 13.12 N ATOM 367 CA GLY A 25 -4.092 -2.863 -7.768 1.00 53.31 C ATOM 368 C GLY A 25 -2.716 -2.816 -8.401 1.00 41.44 C ATOM 369 O GLY A 25 -2.352 -3.699 -9.177 1.00 4.02 O ATOM 0 H GLY A 25 -4.175 -4.846 -7.096 1.00 13.12 H new ATOM 0 HA2 GLY A 25 -4.766 -2.210 -8.322 1.00 53.31 H new ATOM 0 HA3 GLY A 25 -4.034 -2.474 -6.752 1.00 53.31 H new ATOM 373 N ALA A 26 -1.950 -1.781 -8.072 1.00 3.12 N ATOM 374 CA ALA A 26 -0.606 -1.622 -8.614 1.00 21.34 C ATOM 375 C ALA A 26 0.201 -2.907 -8.464 1.00 65.32 C ATOM 376 O ALA A 26 0.723 -3.442 -9.443 1.00 22.20 O ATOM 377 CB ALA A 26 0.107 -0.466 -7.927 1.00 73.24 C ATOM 0 H ALA A 26 -2.237 -1.040 -7.433 1.00 3.12 H new ATOM 0 HA ALA A 26 -0.693 -1.400 -9.678 1.00 21.34 H new ATOM 0 HB1 ALA A 26 1.109 -0.359 -8.342 1.00 73.24 H new ATOM 0 HB2 ALA A 26 -0.453 0.455 -8.089 1.00 73.24 H new ATOM 0 HB3 ALA A 26 0.176 -0.665 -6.858 1.00 73.24 H new ATOM 383 N CYS A 27 0.301 -3.398 -7.233 1.00 63.14 N ATOM 384 CA CYS A 27 1.046 -4.620 -6.955 1.00 2.01 C ATOM 385 C CYS A 27 0.628 -5.740 -7.903 1.00 70.12 C ATOM 386 O CYS A 27 -0.490 -5.745 -8.420 1.00 1.25 O ATOM 387 CB CYS A 27 0.827 -5.056 -5.505 1.00 25.21 C ATOM 388 SG CYS A 27 -0.877 -4.820 -4.906 1.00 62.14 S ATOM 0 H CYS A 27 -0.125 -2.968 -6.412 1.00 63.14 H new ATOM 0 HA CYS A 27 2.105 -4.414 -7.110 1.00 2.01 H new ATOM 0 HB2 CYS A 27 1.091 -6.109 -5.410 1.00 25.21 H new ATOM 0 HB3 CYS A 27 1.507 -4.497 -4.862 1.00 25.21 H new ATOM 393 N ILE A 28 1.533 -6.687 -8.127 1.00 11.11 N ATOM 394 CA ILE A 28 1.258 -7.812 -9.011 1.00 75.43 C ATOM 395 C ILE A 28 2.067 -9.040 -8.607 1.00 42.25 C ATOM 396 O ILE A 28 3.154 -8.921 -8.041 1.00 64.45 O ATOM 397 CB ILE A 28 1.570 -7.465 -10.479 1.00 4.13 C ATOM 398 CG1 ILE A 28 3.016 -6.983 -10.614 1.00 42.33 C ATOM 399 CG2 ILE A 28 0.603 -6.408 -10.990 1.00 45.34 C ATOM 400 CD1 ILE A 28 3.480 -6.860 -12.049 1.00 23.22 C ATOM 0 H ILE A 28 2.463 -6.697 -7.708 1.00 11.11 H new ATOM 0 HA ILE A 28 0.195 -8.034 -8.917 1.00 75.43 H new ATOM 0 HB ILE A 28 1.448 -8.363 -11.084 1.00 4.13 H new ATOM 0 HG12 ILE A 28 3.115 -6.014 -10.124 1.00 42.33 H new ATOM 0 HG13 ILE A 28 3.672 -7.675 -10.086 1.00 42.33 H new ATOM 0 HG21 ILE A 28 0.836 -6.173 -12.029 1.00 45.34 H new ATOM 0 HG22 ILE A 28 -0.417 -6.786 -10.924 1.00 45.34 H new ATOM 0 HG23 ILE A 28 0.696 -5.506 -10.385 1.00 45.34 H new ATOM 0 HD11 ILE A 28 4.513 -6.514 -12.069 1.00 23.22 H new ATOM 0 HD12 ILE A 28 3.414 -7.832 -12.537 1.00 23.22 H new ATOM 0 HD13 ILE A 28 2.848 -6.145 -12.576 1.00 23.22 H new ATOM 412 N CYS A 29 1.531 -10.219 -8.904 1.00 22.14 N ATOM 413 CA CYS A 29 2.203 -11.470 -8.573 1.00 44.23 C ATOM 414 C CYS A 29 3.359 -11.736 -9.534 1.00 32.53 C ATOM 415 O CYS A 29 3.146 -12.057 -10.703 1.00 40.33 O ATOM 416 CB CYS A 29 1.211 -12.633 -8.616 1.00 71.45 C ATOM 417 SG CYS A 29 1.994 -14.278 -8.622 1.00 34.45 S ATOM 0 H CYS A 29 0.633 -10.334 -9.373 1.00 22.14 H new ATOM 0 HA CYS A 29 2.605 -11.382 -7.564 1.00 44.23 H new ATOM 0 HB2 CYS A 29 0.546 -12.562 -7.755 1.00 71.45 H new ATOM 0 HB3 CYS A 29 0.590 -12.535 -9.507 1.00 71.45 H new ATOM 422 N ARG A 30 4.582 -11.602 -9.031 1.00 72.31 N ATOM 423 CA ARG A 30 5.771 -11.828 -9.844 1.00 11.40 C ATOM 424 C ARG A 30 6.593 -12.990 -9.294 1.00 50.33 C ATOM 425 O ARG A 30 6.256 -13.568 -8.262 1.00 70.54 O ATOM 426 CB ARG A 30 6.628 -10.561 -9.894 1.00 71.40 C ATOM 427 CG ARG A 30 6.033 -9.393 -9.125 1.00 44.22 C ATOM 428 CD ARG A 30 6.739 -9.185 -7.794 1.00 34.40 C ATOM 429 NE ARG A 30 7.431 -7.901 -7.736 1.00 23.02 N ATOM 430 CZ ARG A 30 8.681 -7.721 -8.148 1.00 4.04 C ATOM 431 NH1 ARG A 30 9.372 -8.738 -8.645 1.00 52.43 N ATOM 432 NH2 ARG A 30 9.243 -6.522 -8.062 1.00 41.14 N ATOM 0 H ARG A 30 4.775 -11.338 -8.065 1.00 72.31 H new ATOM 0 HA ARG A 30 5.448 -12.081 -10.854 1.00 11.40 H new ATOM 0 HB2 ARG A 30 7.616 -10.785 -9.491 1.00 71.40 H new ATOM 0 HB3 ARG A 30 6.767 -10.267 -10.934 1.00 71.40 H new ATOM 0 HG2 ARG A 30 6.108 -8.485 -9.724 1.00 44.22 H new ATOM 0 HG3 ARG A 30 4.972 -9.573 -8.951 1.00 44.22 H new ATOM 0 HD2 ARG A 30 6.011 -9.241 -6.985 1.00 34.40 H new ATOM 0 HD3 ARG A 30 7.456 -9.991 -7.634 1.00 34.40 H new ATOM 0 HE ARG A 30 6.927 -7.098 -7.359 1.00 23.02 H new ATOM 0 HH11 ARG A 30 8.944 -9.661 -8.712 1.00 52.43 H new ATOM 0 HH12 ARG A 30 10.332 -8.597 -8.961 1.00 52.43 H new ATOM 0 HH21 ARG A 30 8.715 -5.738 -7.679 1.00 41.14 H new ATOM 0 HH22 ARG A 30 10.203 -6.385 -8.379 1.00 41.14 H new ATOM 446 N GLY A 31 7.674 -13.326 -9.992 1.00 74.04 N ATOM 447 CA GLY A 31 8.526 -14.418 -9.559 1.00 43.55 C ATOM 448 C GLY A 31 9.068 -14.210 -8.159 1.00 41.31 C ATOM 449 O GLY A 31 9.529 -15.153 -7.519 1.00 22.34 O ATOM 0 H GLY A 31 7.975 -12.862 -10.849 1.00 74.04 H new ATOM 0 HA2 GLY A 31 7.962 -15.350 -9.592 1.00 43.55 H new ATOM 0 HA3 GLY A 31 9.358 -14.524 -10.255 1.00 43.55 H new ATOM 453 N ASN A 32 9.014 -12.970 -7.683 1.00 40.24 N ATOM 454 CA ASN A 32 9.506 -12.641 -6.350 1.00 54.44 C ATOM 455 C ASN A 32 8.840 -13.517 -5.293 1.00 41.34 C ATOM 456 O ASN A 32 9.296 -13.586 -4.153 1.00 21.51 O ATOM 457 CB ASN A 32 9.250 -11.164 -6.040 1.00 71.30 C ATOM 458 CG ASN A 32 8.070 -10.965 -5.109 1.00 34.31 C ATOM 459 OD1 ASN A 32 6.956 -10.684 -5.552 1.00 32.12 O ATOM 460 ND2 ASN A 32 8.309 -11.111 -3.811 1.00 1.52 N ATOM 0 H ASN A 32 8.635 -12.177 -8.200 1.00 40.24 H new ATOM 0 HA ASN A 32 10.579 -12.829 -6.329 1.00 54.44 H new ATOM 0 HB2 ASN A 32 10.142 -10.730 -5.589 1.00 71.30 H new ATOM 0 HB3 ASN A 32 9.070 -10.626 -6.971 1.00 71.30 H new ATOM 0 HD21 ASN A 32 7.553 -10.990 -3.137 1.00 1.52 H new ATOM 0 HD22 ASN A 32 9.248 -11.344 -3.488 1.00 1.52 H new ATOM 467 N GLY A 33 7.758 -14.185 -5.682 1.00 10.32 N ATOM 468 CA GLY A 33 7.047 -15.048 -4.757 1.00 2.13 C ATOM 469 C GLY A 33 5.989 -14.304 -3.966 1.00 60.13 C ATOM 470 O GLY A 33 5.731 -14.625 -2.806 1.00 5.43 O ATOM 0 H GLY A 33 7.361 -14.144 -6.621 1.00 10.32 H new ATOM 0 HA2 GLY A 33 6.577 -15.861 -5.311 1.00 2.13 H new ATOM 0 HA3 GLY A 33 7.759 -15.502 -4.068 1.00 2.13 H new ATOM 474 N TYR A 34 5.375 -13.308 -4.594 1.00 44.54 N ATOM 475 CA TYR A 34 4.342 -12.513 -3.941 1.00 20.22 C ATOM 476 C TYR A 34 3.873 -11.378 -4.846 1.00 60.32 C ATOM 477 O TYR A 34 4.530 -11.043 -5.832 1.00 53.14 O ATOM 478 CB TYR A 34 4.865 -11.944 -2.621 1.00 21.42 C ATOM 479 CG TYR A 34 4.023 -10.814 -2.072 1.00 64.35 C ATOM 480 CD1 TYR A 34 2.885 -11.072 -1.319 1.00 54.14 C ATOM 481 CD2 TYR A 34 4.368 -9.489 -2.307 1.00 13.31 C ATOM 482 CE1 TYR A 34 2.112 -10.042 -0.817 1.00 64.53 C ATOM 483 CE2 TYR A 34 3.602 -8.453 -1.807 1.00 41.24 C ATOM 484 CZ TYR A 34 2.475 -8.735 -1.064 1.00 3.23 C ATOM 485 OH TYR A 34 1.709 -7.707 -0.564 1.00 44.51 O ATOM 0 H TYR A 34 5.575 -13.032 -5.555 1.00 44.54 H new ATOM 0 HA TYR A 34 3.493 -13.165 -3.737 1.00 20.22 H new ATOM 0 HB2 TYR A 34 4.910 -12.744 -1.882 1.00 21.42 H new ATOM 0 HB3 TYR A 34 5.885 -11.588 -2.767 1.00 21.42 H new ATOM 0 HD1 TYR A 34 2.599 -12.095 -1.122 1.00 54.14 H new ATOM 0 HD2 TYR A 34 5.249 -9.265 -2.890 1.00 13.31 H new ATOM 0 HE1 TYR A 34 1.229 -10.260 -0.235 1.00 64.53 H new ATOM 0 HE2 TYR A 34 3.885 -7.428 -1.997 1.00 41.24 H new ATOM 0 HH TYR A 34 2.102 -6.849 -0.827 1.00 44.51 H new ATOM 495 N CYS A 35 2.732 -10.790 -4.503 1.00 40.14 N ATOM 496 CA CYS A 35 2.173 -9.692 -5.283 1.00 33.30 C ATOM 497 C CYS A 35 3.021 -8.432 -5.135 1.00 31.40 C ATOM 498 O CYS A 35 2.612 -7.468 -4.490 1.00 54.13 O ATOM 499 CB CYS A 35 0.735 -9.407 -4.843 1.00 63.21 C ATOM 500 SG CYS A 35 -0.511 -9.702 -6.138 1.00 71.34 S ATOM 0 H CYS A 35 2.176 -11.055 -3.690 1.00 40.14 H new ATOM 0 HA CYS A 35 2.174 -9.988 -6.332 1.00 33.30 H new ATOM 0 HB2 CYS A 35 0.500 -10.030 -3.980 1.00 63.21 H new ATOM 0 HB3 CYS A 35 0.665 -8.369 -4.516 1.00 63.21 H new ATOM 0 HG CYS A 35 -1.698 -9.476 -5.658 1.00 71.34 H new ATOM 505 N GLY A 36 4.206 -8.449 -5.738 1.00 20.12 N ATOM 506 CA GLY A 36 5.093 -7.303 -5.662 1.00 23.35 C ATOM 507 C GLY A 36 4.817 -6.283 -6.748 1.00 65.11 C ATOM 508 O GLY A 36 4.365 -6.634 -7.838 1.00 13.04 O ATOM 0 H GLY A 36 4.567 -9.236 -6.277 1.00 20.12 H new ATOM 0 HA2 GLY A 36 4.986 -6.829 -4.687 1.00 23.35 H new ATOM 0 HA3 GLY A 36 6.126 -7.641 -5.740 1.00 23.35 H new TER 512 GLY A 36