USER MOD reduce.3.24.130724 H: found=0, std=0, add=381, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 376 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 34 CYS SG : rot 8:sc= -25.1! USER MOD Set 1.2: A 40 CYS SG : rot 161:sc= -26.6! USER MOD Set 2.1: A 24 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 26 SER OG : rot 91:sc= 1.28 USER MOD Single : A 1 LEU N :NH3+ 174:sc= 0.341 (180deg=0.325) USER MOD Single : A 2 GLN : amide:sc= -1.32 K(o=-1.3,f=-0.014) USER MOD Single : A 4 ASN : amide:sc= -0.684 K(o=-0.68,f=0) USER MOD Single : A 5 THR OG1 : rot -59:sc= 0.703 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -0.956 K(o=-0.96,f=-1.5) USER MOD Single : A 23 HIS : no HD1:sc= -1.08 K(o=-1.1,f=-0.56) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 TYR OH : rot -93:sc= 0.461 USER MOD Single : A 32 LYS NZ :NH3+ 147:sc= 0.547 (180deg=0.0982) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -1.58 K(o=-1.6,f=-0.54) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -0.756 K(o=-0.76,f=-6!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 1.502 -0.350 0.256 1.00 24.22 N ATOM 2 CA LEU A 1 1.876 -0.450 -1.151 1.00 14.34 C ATOM 3 C LEU A 1 2.539 -1.791 -1.444 1.00 64.32 C ATOM 4 O LEU A 1 2.801 -2.577 -0.534 1.00 1.22 O ATOM 5 CB LEU A 1 2.819 0.693 -1.530 1.00 70.14 C ATOM 6 CG LEU A 1 2.627 1.286 -2.927 1.00 31.13 C ATOM 7 CD1 LEU A 1 1.356 2.119 -2.982 1.00 50.35 C ATOM 8 CD2 LEU A 1 3.834 2.124 -3.321 1.00 2.22 C ATOM 0 H1 LEU A 1 1.146 0.607 0.453 1.00 24.22 H new ATOM 0 H2 LEU A 1 0.759 -1.046 0.468 1.00 24.22 H new ATOM 0 H3 LEU A 1 2.334 -0.540 0.851 1.00 24.22 H new ATOM 0 HA LEU A 1 0.968 -0.377 -1.750 1.00 14.34 H new ATOM 0 HB2 LEU A 1 2.701 1.492 -0.798 1.00 70.14 H new ATOM 0 HB3 LEU A 1 3.845 0.334 -1.447 1.00 70.14 H new ATOM 0 HG LEU A 1 2.531 0.467 -3.639 1.00 31.13 H new ATOM 0 HD11 LEU A 1 1.235 2.533 -3.983 1.00 50.35 H new ATOM 0 HD12 LEU A 1 0.498 1.490 -2.744 1.00 50.35 H new ATOM 0 HD13 LEU A 1 1.422 2.932 -2.259 1.00 50.35 H new ATOM 0 HD21 LEU A 1 3.680 2.538 -4.318 1.00 2.22 H new ATOM 0 HD22 LEU A 1 3.962 2.937 -2.606 1.00 2.22 H new ATOM 0 HD23 LEU A 1 4.727 1.498 -3.322 1.00 2.22 H new ATOM 20 N GLN A 2 2.810 -2.045 -2.720 1.00 43.25 N ATOM 21 CA GLN A 2 3.445 -3.291 -3.133 1.00 43.11 C ATOM 22 C GLN A 2 4.594 -3.022 -4.099 1.00 63.44 C ATOM 23 O GLN A 2 4.596 -2.020 -4.815 1.00 62.53 O ATOM 24 CB GLN A 2 2.420 -4.218 -3.787 1.00 35.41 C ATOM 25 CG GLN A 2 1.790 -5.208 -2.820 1.00 4.05 C ATOM 26 CD GLN A 2 0.920 -6.234 -3.518 1.00 14.31 C ATOM 27 OE1 GLN A 2 -0.250 -6.409 -3.175 1.00 51.52 O ATOM 28 NE2 GLN A 2 1.487 -6.919 -4.504 1.00 55.10 N ATOM 0 H GLN A 2 2.600 -1.405 -3.486 1.00 43.25 H new ATOM 0 HA GLN A 2 3.848 -3.776 -2.244 1.00 43.11 H new ATOM 0 HB2 GLN A 2 1.633 -3.614 -4.240 1.00 35.41 H new ATOM 0 HB3 GLN A 2 2.903 -4.769 -4.594 1.00 35.41 H new ATOM 0 HG2 GLN A 2 2.577 -5.721 -2.267 1.00 4.05 H new ATOM 0 HG3 GLN A 2 1.190 -4.665 -2.090 1.00 4.05 H new ATOM 0 HE21 GLN A 2 2.460 -6.741 -4.755 1.00 55.10 H new ATOM 0 HE22 GLN A 2 0.950 -7.623 -5.011 1.00 55.10 H new ATOM 37 N CYS A 3 5.571 -3.924 -4.115 1.00 13.43 N ATOM 38 CA CYS A 3 6.727 -3.784 -4.992 1.00 74.51 C ATOM 39 C CYS A 3 7.091 -5.123 -5.627 1.00 65.15 C ATOM 40 O CYS A 3 6.929 -6.177 -5.015 1.00 31.33 O ATOM 41 CB CYS A 3 7.922 -3.235 -4.212 1.00 24.13 C ATOM 42 SG CYS A 3 7.510 -1.860 -3.091 1.00 2.25 S ATOM 0 H CYS A 3 5.584 -4.760 -3.530 1.00 13.43 H new ATOM 0 HA CYS A 3 6.468 -3.083 -5.786 1.00 74.51 H new ATOM 0 HB2 CYS A 3 8.365 -4.043 -3.630 1.00 24.13 H new ATOM 0 HB3 CYS A 3 8.680 -2.898 -4.919 1.00 24.13 H new ATOM 47 N ASN A 4 7.586 -5.072 -6.860 1.00 52.41 N ATOM 48 CA ASN A 4 7.974 -6.280 -7.579 1.00 53.42 C ATOM 49 C ASN A 4 9.313 -6.807 -7.073 1.00 72.44 C ATOM 50 O ASN A 4 10.089 -6.076 -6.458 1.00 45.12 O ATOM 51 CB ASN A 4 8.058 -6.000 -9.081 1.00 54.50 C ATOM 52 CG ASN A 4 6.716 -5.611 -9.673 1.00 23.25 C ATOM 53 OD1 ASN A 4 6.040 -6.429 -10.296 1.00 62.43 O ATOM 54 ND2 ASN A 4 6.325 -4.357 -9.479 1.00 3.11 N ATOM 0 H ASN A 4 7.728 -4.207 -7.382 1.00 52.41 H new ATOM 0 HA ASN A 4 7.213 -7.040 -7.400 1.00 53.42 H new ATOM 0 HB2 ASN A 4 8.776 -5.200 -9.259 1.00 54.50 H new ATOM 0 HB3 ASN A 4 8.435 -6.886 -9.592 1.00 54.50 H new ATOM 0 HD21 ASN A 4 5.431 -4.038 -9.853 1.00 3.11 H new ATOM 0 HD22 ASN A 4 6.918 -3.713 -8.956 1.00 3.11 H new ATOM 61 N THR A 5 9.578 -8.083 -7.337 1.00 72.33 N ATOM 62 CA THR A 5 10.822 -8.710 -6.909 1.00 40.11 C ATOM 63 C THR A 5 11.577 -9.300 -8.095 1.00 33.44 C ATOM 64 O THR A 5 11.005 -9.510 -9.166 1.00 3.34 O ATOM 65 CB THR A 5 10.564 -9.821 -5.874 1.00 61.21 C ATOM 66 OG1 THR A 5 9.886 -10.920 -6.494 1.00 2.14 O ATOM 67 CG2 THR A 5 9.734 -9.297 -4.712 1.00 41.42 C ATOM 0 H THR A 5 8.947 -8.702 -7.846 1.00 72.33 H new ATOM 0 HA THR A 5 11.428 -7.929 -6.449 1.00 40.11 H new ATOM 0 HB THR A 5 11.526 -10.158 -5.489 1.00 61.21 H new ATOM 0 HG1 THR A 5 9.034 -10.610 -6.867 1.00 2.14 H new ATOM 0 HG21 THR A 5 9.565 -10.100 -3.994 1.00 41.42 H new ATOM 0 HG22 THR A 5 10.266 -8.480 -4.224 1.00 41.42 H new ATOM 0 HG23 THR A 5 8.775 -8.935 -5.084 1.00 41.42 H new ATOM 75 N LEU A 6 12.863 -9.568 -7.897 1.00 52.02 N ATOM 76 CA LEU A 6 13.697 -10.136 -8.951 1.00 34.11 C ATOM 77 C LEU A 6 13.250 -11.554 -9.294 1.00 1.32 C ATOM 78 O LEU A 6 13.464 -12.030 -10.409 1.00 2.03 O ATOM 79 CB LEU A 6 15.164 -10.142 -8.520 1.00 3.43 C ATOM 80 CG LEU A 6 15.588 -11.284 -7.597 1.00 23.45 C ATOM 81 CD1 LEU A 6 16.094 -12.467 -8.408 1.00 50.24 C ATOM 82 CD2 LEU A 6 16.654 -10.812 -6.618 1.00 72.21 C ATOM 0 H LEU A 6 13.351 -9.401 -7.017 1.00 52.02 H new ATOM 0 HA LEU A 6 13.589 -9.515 -9.840 1.00 34.11 H new ATOM 0 HB2 LEU A 6 15.785 -10.176 -9.415 1.00 3.43 H new ATOM 0 HB3 LEU A 6 15.378 -9.198 -8.019 1.00 3.43 H new ATOM 0 HG LEU A 6 14.717 -11.606 -7.027 1.00 23.45 H new ATOM 0 HD11 LEU A 6 16.391 -13.270 -7.734 1.00 50.24 H new ATOM 0 HD12 LEU A 6 15.302 -12.822 -9.067 1.00 50.24 H new ATOM 0 HD13 LEU A 6 16.952 -12.158 -9.005 1.00 50.24 H new ATOM 0 HD21 LEU A 6 16.944 -11.638 -5.969 1.00 72.21 H new ATOM 0 HD22 LEU A 6 17.526 -10.462 -7.170 1.00 72.21 H new ATOM 0 HD23 LEU A 6 16.257 -9.997 -6.013 1.00 72.21 H new ATOM 94 N ASP A 7 12.627 -12.222 -8.329 1.00 42.33 N ATOM 95 CA ASP A 7 12.147 -13.584 -8.530 1.00 21.02 C ATOM 96 C ASP A 7 10.860 -13.592 -9.349 1.00 1.51 C ATOM 97 O ASP A 7 10.346 -14.650 -9.707 1.00 21.54 O ATOM 98 CB ASP A 7 11.913 -14.268 -7.182 1.00 74.53 C ATOM 99 CG ASP A 7 11.963 -15.780 -7.284 1.00 63.22 C ATOM 100 OD1 ASP A 7 12.702 -16.292 -8.151 1.00 43.51 O ATOM 101 OD2 ASP A 7 11.263 -16.452 -6.498 1.00 22.13 O ATOM 0 H ASP A 7 12.443 -11.842 -7.400 1.00 42.33 H new ATOM 0 HA ASP A 7 12.910 -14.134 -9.081 1.00 21.02 H new ATOM 0 HB2 ASP A 7 12.666 -13.930 -6.470 1.00 74.53 H new ATOM 0 HB3 ASP A 7 10.943 -13.965 -6.788 1.00 74.53 H new ATOM 106 N GLY A 8 10.344 -12.402 -9.642 1.00 12.33 N ATOM 107 CA GLY A 8 9.121 -12.294 -10.415 1.00 54.22 C ATOM 108 C GLY A 8 7.887 -12.197 -9.539 1.00 63.42 C ATOM 109 O GLY A 8 6.787 -11.951 -10.030 1.00 15.51 O ATOM 0 H GLY A 8 10.751 -11.511 -9.358 1.00 12.33 H new ATOM 0 HA2 GLY A 8 9.177 -11.415 -11.057 1.00 54.22 H new ATOM 0 HA3 GLY A 8 9.031 -13.161 -11.069 1.00 54.22 H new ATOM 113 N GLY A 9 8.071 -12.395 -8.237 1.00 40.41 N ATOM 114 CA GLY A 9 6.955 -12.326 -7.312 1.00 21.32 C ATOM 115 C GLY A 9 6.684 -10.914 -6.834 1.00 11.40 C ATOM 116 O GLY A 9 7.387 -9.976 -7.212 1.00 53.33 O ATOM 0 H GLY A 9 8.972 -12.602 -7.807 1.00 40.41 H new ATOM 0 HA2 GLY A 9 6.061 -12.720 -7.796 1.00 21.32 H new ATOM 0 HA3 GLY A 9 7.160 -12.964 -6.452 1.00 21.32 H new ATOM 120 N THR A 10 5.660 -10.759 -6.000 1.00 52.34 N ATOM 121 CA THR A 10 5.295 -9.450 -5.472 1.00 62.25 C ATOM 122 C THR A 10 5.508 -9.387 -3.964 1.00 45.24 C ATOM 123 O THR A 10 5.305 -10.373 -3.258 1.00 74.51 O ATOM 124 CB THR A 10 3.827 -9.107 -5.787 1.00 12.13 C ATOM 125 OG1 THR A 10 3.014 -10.280 -5.672 1.00 20.20 O ATOM 126 CG2 THR A 10 3.694 -8.527 -7.187 1.00 3.13 C ATOM 0 H THR A 10 5.069 -11.524 -5.676 1.00 52.34 H new ATOM 0 HA THR A 10 5.943 -8.721 -5.958 1.00 62.25 H new ATOM 0 HB THR A 10 3.490 -8.360 -5.068 1.00 12.13 H new ATOM 0 HG1 THR A 10 2.082 -10.053 -5.872 1.00 20.20 H new ATOM 0 HG21 THR A 10 2.648 -8.293 -7.386 1.00 3.13 H new ATOM 0 HG22 THR A 10 4.290 -7.618 -7.262 1.00 3.13 H new ATOM 0 HG23 THR A 10 4.048 -9.254 -7.917 1.00 3.13 H new ATOM 134 N GLU A 11 5.919 -8.220 -3.478 1.00 2.31 N ATOM 135 CA GLU A 11 6.160 -8.029 -2.052 1.00 71.34 C ATOM 136 C GLU A 11 5.350 -6.852 -1.516 1.00 44.15 C ATOM 137 O GLU A 11 5.120 -5.872 -2.224 1.00 12.35 O ATOM 138 CB GLU A 11 7.650 -7.799 -1.790 1.00 72.43 C ATOM 139 CG GLU A 11 8.192 -6.534 -2.432 1.00 45.43 C ATOM 140 CD GLU A 11 9.369 -5.952 -1.672 1.00 74.11 C ATOM 141 OE1 GLU A 11 9.142 -5.341 -0.607 1.00 31.13 O ATOM 142 OE2 GLU A 11 10.515 -6.107 -2.142 1.00 71.41 O ATOM 0 H GLU A 11 6.092 -7.393 -4.050 1.00 2.31 H new ATOM 0 HA GLU A 11 5.843 -8.933 -1.532 1.00 71.34 H new ATOM 0 HB2 GLU A 11 7.818 -7.751 -0.714 1.00 72.43 H new ATOM 0 HB3 GLU A 11 8.212 -8.655 -2.163 1.00 72.43 H new ATOM 0 HG2 GLU A 11 8.497 -6.752 -3.455 1.00 45.43 H new ATOM 0 HG3 GLU A 11 7.397 -5.790 -2.488 1.00 45.43 H new ATOM 149 N GLU A 12 4.922 -6.958 -0.263 1.00 12.15 N ATOM 150 CA GLU A 12 4.137 -5.903 0.367 1.00 10.35 C ATOM 151 C GLU A 12 5.045 -4.874 1.035 1.00 40.11 C ATOM 152 O GLU A 12 5.678 -5.155 2.053 1.00 31.11 O ATOM 153 CB GLU A 12 3.177 -6.498 1.400 1.00 41.22 C ATOM 154 CG GLU A 12 2.284 -7.593 0.841 1.00 42.33 C ATOM 155 CD GLU A 12 1.397 -8.220 1.899 1.00 44.41 C ATOM 156 OE1 GLU A 12 1.889 -9.093 2.644 1.00 15.33 O ATOM 157 OE2 GLU A 12 0.212 -7.836 1.981 1.00 34.25 O ATOM 0 H GLU A 12 5.105 -7.763 0.336 1.00 12.15 H new ATOM 0 HA GLU A 12 3.559 -5.403 -0.410 1.00 10.35 H new ATOM 0 HB2 GLU A 12 3.755 -6.901 2.231 1.00 41.22 H new ATOM 0 HB3 GLU A 12 2.552 -5.702 1.804 1.00 41.22 H new ATOM 0 HG2 GLU A 12 1.661 -7.179 0.049 1.00 42.33 H new ATOM 0 HG3 GLU A 12 2.904 -8.366 0.388 1.00 42.33 H new ATOM 164 N CYS A 13 5.104 -3.680 0.454 1.00 64.45 N ATOM 165 CA CYS A 13 5.935 -2.609 0.989 1.00 12.34 C ATOM 166 C CYS A 13 5.142 -1.742 1.964 1.00 44.13 C ATOM 167 O CYS A 13 4.226 -1.023 1.566 1.00 54.52 O ATOM 168 CB CYS A 13 6.485 -1.745 -0.147 1.00 65.01 C ATOM 169 SG CYS A 13 7.633 -2.621 -1.258 1.00 22.22 S ATOM 0 H CYS A 13 4.585 -3.430 -0.388 1.00 64.45 H new ATOM 0 HA CYS A 13 6.768 -3.063 1.526 1.00 12.34 H new ATOM 0 HB2 CYS A 13 5.651 -1.361 -0.734 1.00 65.01 H new ATOM 0 HB3 CYS A 13 6.997 -0.883 0.281 1.00 65.01 H new ATOM 174 N ILE A 14 5.503 -1.816 3.240 1.00 13.14 N ATOM 175 CA ILE A 14 4.827 -1.037 4.271 1.00 72.42 C ATOM 176 C ILE A 14 5.203 0.438 4.181 1.00 71.42 C ATOM 177 O ILE A 14 6.336 0.796 3.861 1.00 43.41 O ATOM 178 CB ILE A 14 5.164 -1.557 5.681 1.00 43.41 C ATOM 179 CG1 ILE A 14 6.676 -1.521 5.913 1.00 43.40 C ATOM 180 CG2 ILE A 14 4.628 -2.968 5.868 1.00 13.23 C ATOM 181 CD1 ILE A 14 7.086 -1.977 7.296 1.00 44.24 C ATOM 0 H ILE A 14 6.259 -2.407 3.585 1.00 13.14 H new ATOM 0 HA ILE A 14 3.756 -1.147 4.099 1.00 72.42 H new ATOM 0 HB ILE A 14 4.686 -0.908 6.415 1.00 43.41 H new ATOM 0 HG12 ILE A 14 7.164 -2.153 5.171 1.00 43.40 H new ATOM 0 HG13 ILE A 14 7.036 -0.505 5.753 1.00 43.40 H new ATOM 0 HG21 ILE A 14 4.874 -3.321 6.869 1.00 13.23 H new ATOM 0 HG22 ILE A 14 3.546 -2.966 5.740 1.00 13.23 H new ATOM 0 HG23 ILE A 14 5.079 -3.630 5.129 1.00 13.23 H new ATOM 0 HD11 ILE A 14 8.171 -1.925 7.389 1.00 44.24 H new ATOM 0 HD12 ILE A 14 6.626 -1.330 8.043 1.00 44.24 H new ATOM 0 HD13 ILE A 14 6.757 -3.004 7.453 1.00 44.24 H new ATOM 193 N PRO A 15 4.231 1.315 4.471 1.00 33.12 N ATOM 194 CA PRO A 15 4.436 2.766 4.433 1.00 63.25 C ATOM 195 C PRO A 15 5.346 3.253 5.556 1.00 73.44 C ATOM 196 O PRO A 15 4.943 3.299 6.717 1.00 25.02 O ATOM 197 CB PRO A 15 3.024 3.329 4.606 1.00 34.04 C ATOM 198 CG PRO A 15 2.278 2.263 5.332 1.00 14.23 C ATOM 199 CD PRO A 15 2.856 0.958 4.860 1.00 21.13 C ATOM 0 HA PRO A 15 4.926 3.084 3.513 1.00 63.25 H new ATOM 0 HB2 PRO A 15 3.036 4.260 5.173 1.00 34.04 H new ATOM 0 HB3 PRO A 15 2.564 3.548 3.642 1.00 34.04 H new ATOM 0 HG2 PRO A 15 2.392 2.373 6.411 1.00 14.23 H new ATOM 0 HG3 PRO A 15 1.211 2.318 5.117 1.00 14.23 H new ATOM 0 HD2 PRO A 15 2.844 0.205 5.648 1.00 21.13 H new ATOM 0 HD3 PRO A 15 2.294 0.550 4.020 1.00 21.13 H new ATOM 207 N GLY A 16 6.575 3.615 5.201 1.00 52.44 N ATOM 208 CA GLY A 16 7.522 4.094 6.190 1.00 13.45 C ATOM 209 C GLY A 16 8.937 3.630 5.911 1.00 22.53 C ATOM 210 O GLY A 16 9.821 4.441 5.637 1.00 44.51 O ATOM 0 H GLY A 16 6.931 3.585 4.246 1.00 52.44 H new ATOM 0 HA2 GLY A 16 7.498 5.183 6.213 1.00 13.45 H new ATOM 0 HA3 GLY A 16 7.218 3.747 7.178 1.00 13.45 H new ATOM 214 N ILE A 17 9.153 2.320 5.983 1.00 42.43 N ATOM 215 CA ILE A 17 10.472 1.750 5.736 1.00 75.41 C ATOM 216 C ILE A 17 10.838 1.831 4.258 1.00 50.10 C ATOM 217 O ILE A 17 11.999 2.040 3.906 1.00 23.12 O ATOM 218 CB ILE A 17 10.543 0.280 6.191 1.00 73.13 C ATOM 219 CG1 ILE A 17 10.056 0.146 7.635 1.00 0.01 C ATOM 220 CG2 ILE A 17 11.963 -0.249 6.053 1.00 14.23 C ATOM 221 CD1 ILE A 17 10.089 -1.274 8.155 1.00 61.23 C ATOM 0 H ILE A 17 8.432 1.635 6.210 1.00 42.43 H new ATOM 0 HA ILE A 17 11.184 2.337 6.317 1.00 75.41 H new ATOM 0 HB ILE A 17 9.891 -0.315 5.552 1.00 73.13 H new ATOM 0 HG12 ILE A 17 10.673 0.774 8.278 1.00 0.01 H new ATOM 0 HG13 ILE A 17 9.036 0.525 7.703 1.00 0.01 H new ATOM 0 HG21 ILE A 17 11.997 -1.289 6.378 1.00 14.23 H new ATOM 0 HG22 ILE A 17 12.276 -0.184 5.011 1.00 14.23 H new ATOM 0 HG23 ILE A 17 12.635 0.347 6.671 1.00 14.23 H new ATOM 0 HD11 ILE A 17 9.730 -1.293 9.184 1.00 61.23 H new ATOM 0 HD12 ILE A 17 9.449 -1.903 7.536 1.00 61.23 H new ATOM 0 HD13 ILE A 17 11.111 -1.651 8.120 1.00 61.23 H new ATOM 233 N TYR A 18 9.840 1.667 3.397 1.00 60.31 N ATOM 234 CA TYR A 18 10.057 1.721 1.956 1.00 11.11 C ATOM 235 C TYR A 18 9.107 2.718 1.299 1.00 1.14 C ATOM 236 O TYR A 18 7.892 2.529 1.303 1.00 15.34 O ATOM 237 CB TYR A 18 9.866 0.335 1.338 1.00 64.01 C ATOM 238 CG TYR A 18 10.566 -0.769 2.099 1.00 50.34 C ATOM 239 CD1 TYR A 18 11.906 -0.655 2.450 1.00 35.53 C ATOM 240 CD2 TYR A 18 9.888 -1.925 2.465 1.00 42.12 C ATOM 241 CE1 TYR A 18 12.549 -1.661 3.145 1.00 62.54 C ATOM 242 CE2 TYR A 18 10.523 -2.935 3.160 1.00 23.24 C ATOM 243 CZ TYR A 18 11.854 -2.799 3.498 1.00 72.01 C ATOM 244 OH TYR A 18 12.490 -3.804 4.190 1.00 45.14 O ATOM 0 H TYR A 18 8.873 1.496 3.672 1.00 60.31 H new ATOM 0 HA TYR A 18 11.081 2.052 1.781 1.00 11.11 H new ATOM 0 HB2 TYR A 18 8.800 0.112 1.289 1.00 64.01 H new ATOM 0 HB3 TYR A 18 10.236 0.349 0.313 1.00 64.01 H new ATOM 0 HD1 TYR A 18 12.453 0.234 2.175 1.00 35.53 H new ATOM 0 HD2 TYR A 18 8.847 -2.036 2.201 1.00 42.12 H new ATOM 0 HE1 TYR A 18 13.591 -1.557 3.411 1.00 62.54 H new ATOM 0 HE2 TYR A 18 9.981 -3.827 3.438 1.00 23.24 H new ATOM 0 HH TYR A 18 11.859 -4.534 4.361 1.00 45.14 H new ATOM 254 N ASN A 19 9.672 3.780 0.735 1.00 5.40 N ATOM 255 CA ASN A 19 8.877 4.808 0.074 1.00 42.55 C ATOM 256 C ASN A 19 9.260 4.929 -1.399 1.00 35.44 C ATOM 257 O ASN A 19 8.555 5.563 -2.184 1.00 64.13 O ATOM 258 CB ASN A 19 9.065 6.156 0.772 1.00 2.55 C ATOM 259 CG ASN A 19 10.298 6.893 0.285 1.00 12.43 C ATOM 260 OD1 ASN A 19 10.235 7.668 -0.669 1.00 53.05 O ATOM 261 ND2 ASN A 19 11.428 6.654 0.941 1.00 14.51 N ATOM 0 H ASN A 19 10.677 3.951 0.722 1.00 5.40 H new ATOM 0 HA ASN A 19 7.829 4.517 0.137 1.00 42.55 H new ATOM 0 HB2 ASN A 19 8.184 6.776 0.603 1.00 2.55 H new ATOM 0 HB3 ASN A 19 9.141 5.997 1.848 1.00 2.55 H new ATOM 0 HD21 ASN A 19 12.290 7.121 0.659 1.00 14.51 H new ATOM 0 HD22 ASN A 19 11.434 6.003 1.727 1.00 14.51 H new ATOM 268 N VAL A 20 10.380 4.314 -1.766 1.00 12.35 N ATOM 269 CA VAL A 20 10.856 4.350 -3.143 1.00 55.53 C ATOM 270 C VAL A 20 10.849 2.958 -3.764 1.00 23.25 C ATOM 271 O VAL A 20 10.584 1.965 -3.085 1.00 52.11 O ATOM 272 CB VAL A 20 12.279 4.933 -3.231 1.00 13.14 C ATOM 273 CG1 VAL A 20 12.289 6.388 -2.786 1.00 35.31 C ATOM 274 CG2 VAL A 20 13.245 4.105 -2.396 1.00 52.45 C ATOM 0 H VAL A 20 10.975 3.785 -1.128 1.00 12.35 H new ATOM 0 HA VAL A 20 10.173 4.995 -3.696 1.00 55.53 H new ATOM 0 HB VAL A 20 12.606 4.894 -4.270 1.00 13.14 H new ATOM 0 HG11 VAL A 20 13.303 6.783 -2.855 1.00 35.31 H new ATOM 0 HG12 VAL A 20 11.629 6.970 -3.429 1.00 35.31 H new ATOM 0 HG13 VAL A 20 11.943 6.455 -1.755 1.00 35.31 H new ATOM 0 HG21 VAL A 20 14.246 4.530 -2.469 1.00 52.45 H new ATOM 0 HG22 VAL A 20 12.923 4.111 -1.355 1.00 52.45 H new ATOM 0 HG23 VAL A 20 13.259 3.080 -2.765 1.00 52.45 H new ATOM 284 N CYS A 21 11.144 2.891 -5.057 1.00 42.25 N ATOM 285 CA CYS A 21 11.173 1.620 -5.771 1.00 41.32 C ATOM 286 C CYS A 21 12.008 1.730 -7.044 1.00 55.21 C ATOM 287 O CYS A 21 11.982 2.752 -7.730 1.00 55.03 O ATOM 288 CB CYS A 21 9.751 1.173 -6.117 1.00 44.33 C ATOM 289 SG CYS A 21 8.707 2.492 -6.818 1.00 23.53 S ATOM 0 H CYS A 21 11.367 3.703 -5.633 1.00 42.25 H new ATOM 0 HA CYS A 21 11.632 0.876 -5.120 1.00 41.32 H new ATOM 0 HB2 CYS A 21 9.804 0.349 -6.829 1.00 44.33 H new ATOM 0 HB3 CYS A 21 9.274 0.786 -5.216 1.00 44.33 H new ATOM 294 N VAL A 22 12.747 0.670 -7.354 1.00 3.04 N ATOM 295 CA VAL A 22 13.589 0.646 -8.544 1.00 74.02 C ATOM 296 C VAL A 22 13.441 -0.673 -9.295 1.00 10.22 C ATOM 297 O VAL A 22 13.380 -1.742 -8.687 1.00 74.11 O ATOM 298 CB VAL A 22 15.072 0.858 -8.188 1.00 31.13 C ATOM 299 CG1 VAL A 22 15.970 0.276 -9.269 1.00 34.41 C ATOM 300 CG2 VAL A 22 15.364 2.336 -7.980 1.00 54.42 C ATOM 0 H VAL A 22 12.780 -0.184 -6.797 1.00 3.04 H new ATOM 0 HA VAL A 22 13.257 1.464 -9.183 1.00 74.02 H new ATOM 0 HB VAL A 22 15.281 0.335 -7.255 1.00 31.13 H new ATOM 0 HG11 VAL A 22 17.014 0.436 -9.000 1.00 34.41 H new ATOM 0 HG12 VAL A 22 15.779 -0.793 -9.364 1.00 34.41 H new ATOM 0 HG13 VAL A 22 15.761 0.768 -10.219 1.00 34.41 H new ATOM 0 HG21 VAL A 22 16.417 2.467 -7.729 1.00 54.42 H new ATOM 0 HG22 VAL A 22 15.138 2.884 -8.895 1.00 54.42 H new ATOM 0 HG23 VAL A 22 14.747 2.718 -7.167 1.00 54.42 H new ATOM 310 N HIS A 23 13.385 -0.590 -10.620 1.00 51.13 N ATOM 311 CA HIS A 23 13.246 -1.778 -11.455 1.00 54.44 C ATOM 312 C HIS A 23 14.365 -1.849 -12.489 1.00 62.14 C ATOM 313 O HIS A 23 14.447 -1.012 -13.389 1.00 24.13 O ATOM 314 CB HIS A 23 11.887 -1.777 -12.157 1.00 20.33 C ATOM 315 CG HIS A 23 11.731 -2.877 -13.161 1.00 63.14 C ATOM 316 ND1 HIS A 23 10.829 -2.823 -14.203 1.00 3.20 N ATOM 317 CD2 HIS A 23 12.371 -4.064 -13.281 1.00 35.23 C ATOM 318 CE1 HIS A 23 10.919 -3.930 -14.918 1.00 41.34 C ATOM 319 NE2 HIS A 23 11.848 -4.700 -14.380 1.00 54.41 N ATOM 0 H HIS A 23 13.434 0.287 -11.139 1.00 51.13 H new ATOM 0 HA HIS A 23 13.314 -2.655 -10.811 1.00 54.44 H new ATOM 0 HB2 HIS A 23 11.100 -1.866 -11.408 1.00 20.33 H new ATOM 0 HB3 HIS A 23 11.746 -0.818 -12.656 1.00 20.33 H new ATOM 0 HD2 HIS A 23 13.148 -4.441 -12.633 1.00 35.23 H new ATOM 0 HE1 HIS A 23 10.333 -4.166 -15.794 1.00 41.34 H new ATOM 0 HE2 HIS A 23 12.131 -5.617 -14.725 1.00 54.41 H new ATOM 327 N TYR A 24 15.225 -2.853 -12.355 1.00 11.32 N ATOM 328 CA TYR A 24 16.341 -3.031 -13.275 1.00 64.33 C ATOM 329 C TYR A 24 16.049 -4.144 -14.277 1.00 53.24 C ATOM 330 O TYR A 24 15.904 -5.309 -13.906 1.00 14.43 O ATOM 331 CB TYR A 24 17.622 -3.351 -12.501 1.00 53.55 C ATOM 332 CG TYR A 24 18.869 -3.321 -13.356 1.00 11.33 C ATOM 333 CD1 TYR A 24 19.123 -4.323 -14.284 1.00 31.22 C ATOM 334 CD2 TYR A 24 19.794 -2.291 -13.234 1.00 73.02 C ATOM 335 CE1 TYR A 24 20.261 -4.301 -15.066 1.00 4.40 C ATOM 336 CE2 TYR A 24 20.934 -2.260 -14.013 1.00 41.42 C ATOM 337 CZ TYR A 24 21.164 -3.267 -14.927 1.00 54.43 C ATOM 338 OH TYR A 24 22.299 -3.240 -15.704 1.00 41.42 O ATOM 0 H TYR A 24 15.170 -3.556 -11.618 1.00 11.32 H new ATOM 0 HA TYR A 24 16.478 -2.099 -13.823 1.00 64.33 H new ATOM 0 HB2 TYR A 24 17.733 -2.635 -11.686 1.00 53.55 H new ATOM 0 HB3 TYR A 24 17.526 -4.338 -12.048 1.00 53.55 H new ATOM 0 HD1 TYR A 24 18.418 -5.134 -14.396 1.00 31.22 H new ATOM 0 HD2 TYR A 24 19.618 -1.502 -12.518 1.00 73.02 H new ATOM 0 HE1 TYR A 24 20.443 -5.089 -15.782 1.00 4.40 H new ATOM 0 HE2 TYR A 24 21.642 -1.451 -13.907 1.00 41.42 H new ATOM 0 HH TYR A 24 22.828 -2.445 -15.483 1.00 41.42 H new ATOM 348 N LYS A 25 15.964 -3.776 -15.551 1.00 72.24 N ATOM 349 CA LYS A 25 15.691 -4.741 -16.610 1.00 14.10 C ATOM 350 C LYS A 25 16.733 -4.641 -17.719 1.00 55.15 C ATOM 351 O LYS A 25 16.833 -3.619 -18.399 1.00 25.32 O ATOM 352 CB LYS A 25 14.292 -4.513 -17.187 1.00 52.14 C ATOM 353 CG LYS A 25 13.996 -5.356 -18.416 1.00 10.03 C ATOM 354 CD LYS A 25 12.563 -5.173 -18.886 1.00 13.31 C ATOM 355 CE LYS A 25 11.608 -6.087 -18.133 1.00 41.14 C ATOM 356 NZ LYS A 25 10.253 -6.104 -18.752 1.00 24.14 N ATOM 0 H LYS A 25 16.080 -2.816 -15.875 1.00 72.24 H new ATOM 0 HA LYS A 25 15.741 -5.741 -16.179 1.00 14.10 H new ATOM 0 HB2 LYS A 25 13.551 -4.733 -16.419 1.00 52.14 H new ATOM 0 HB3 LYS A 25 14.181 -3.460 -17.444 1.00 52.14 H new ATOM 0 HG2 LYS A 25 14.681 -5.083 -19.219 1.00 10.03 H new ATOM 0 HG3 LYS A 25 14.174 -6.407 -18.189 1.00 10.03 H new ATOM 0 HD2 LYS A 25 12.262 -4.135 -18.744 1.00 13.31 H new ATOM 0 HD3 LYS A 25 12.500 -5.380 -19.954 1.00 13.31 H new ATOM 0 HE2 LYS A 25 12.012 -7.099 -18.115 1.00 41.14 H new ATOM 0 HE3 LYS A 25 11.530 -5.757 -17.097 1.00 41.14 H new ATOM 0 HZ1 LYS A 25 9.632 -6.738 -18.210 1.00 24.14 H new ATOM 0 HZ2 LYS A 25 9.857 -5.143 -18.746 1.00 24.14 H new ATOM 0 HZ3 LYS A 25 10.324 -6.443 -19.733 1.00 24.14 H new ATOM 370 N SER A 26 17.504 -5.708 -17.898 1.00 63.24 N ATOM 371 CA SER A 26 18.540 -5.739 -18.924 1.00 61.23 C ATOM 372 C SER A 26 18.495 -7.051 -19.703 1.00 12.45 C ATOM 373 O SER A 26 17.926 -8.039 -19.240 1.00 63.12 O ATOM 374 CB SER A 26 19.921 -5.556 -18.291 1.00 34.32 C ATOM 375 OG SER A 26 20.152 -4.199 -17.956 1.00 64.00 O ATOM 0 H SER A 26 17.431 -6.563 -17.346 1.00 63.24 H new ATOM 0 HA SER A 26 18.354 -4.918 -19.617 1.00 61.23 H new ATOM 0 HB2 SER A 26 19.999 -6.173 -17.396 1.00 34.32 H new ATOM 0 HB3 SER A 26 20.690 -5.899 -18.983 1.00 34.32 H new ATOM 0 HG SER A 26 19.851 -4.033 -17.038 1.00 64.00 H new ATOM 381 N GLU A 27 19.098 -7.050 -20.887 1.00 44.20 N ATOM 382 CA GLU A 27 19.126 -8.239 -21.730 1.00 62.13 C ATOM 383 C GLU A 27 20.122 -9.263 -21.194 1.00 24.21 C ATOM 384 O GLU A 27 20.107 -10.428 -21.593 1.00 10.24 O ATOM 385 CB GLU A 27 19.489 -7.863 -23.168 1.00 71.45 C ATOM 386 CG GLU A 27 20.937 -7.436 -23.339 1.00 61.42 C ATOM 387 CD GLU A 27 21.186 -6.733 -24.659 1.00 62.14 C ATOM 388 OE1 GLU A 27 20.216 -6.540 -25.422 1.00 3.14 O ATOM 389 OE2 GLU A 27 22.352 -6.376 -24.930 1.00 10.43 O ATOM 0 H GLU A 27 19.573 -6.240 -21.284 1.00 44.20 H new ATOM 0 HA GLU A 27 18.131 -8.685 -21.718 1.00 62.13 H new ATOM 0 HB2 GLU A 27 19.291 -8.715 -23.818 1.00 71.45 H new ATOM 0 HB3 GLU A 27 18.839 -7.053 -23.498 1.00 71.45 H new ATOM 0 HG2 GLU A 27 21.215 -6.773 -22.520 1.00 61.42 H new ATOM 0 HG3 GLU A 27 21.581 -8.313 -23.272 1.00 61.42 H new ATOM 396 N ASP A 28 20.987 -8.820 -20.288 1.00 44.03 N ATOM 397 CA ASP A 28 21.991 -9.697 -19.696 1.00 51.22 C ATOM 398 C ASP A 28 21.581 -10.119 -18.288 1.00 45.45 C ATOM 399 O ASP A 28 22.004 -11.164 -17.796 1.00 64.14 O ATOM 400 CB ASP A 28 23.351 -8.998 -19.657 1.00 53.23 C ATOM 401 CG ASP A 28 24.499 -9.951 -19.923 1.00 44.33 C ATOM 402 OD1 ASP A 28 24.431 -11.107 -19.457 1.00 11.23 O ATOM 403 OD2 ASP A 28 25.467 -9.540 -20.598 1.00 24.25 O ATOM 0 H ASP A 28 21.013 -7.859 -19.947 1.00 44.03 H new ATOM 0 HA ASP A 28 22.069 -10.590 -20.316 1.00 51.22 H new ATOM 0 HB2 ASP A 28 23.367 -8.199 -20.398 1.00 53.23 H new ATOM 0 HB3 ASP A 28 23.489 -8.531 -18.682 1.00 53.23 H new ATOM 408 N GLU A 29 20.757 -9.297 -17.646 1.00 71.02 N ATOM 409 CA GLU A 29 20.293 -9.585 -16.294 1.00 54.13 C ATOM 410 C GLU A 29 19.024 -8.799 -15.976 1.00 32.11 C ATOM 411 O GLU A 29 18.669 -7.860 -16.687 1.00 72.03 O ATOM 412 CB GLU A 29 21.383 -9.250 -15.274 1.00 52.54 C ATOM 413 CG GLU A 29 21.579 -7.758 -15.062 1.00 1.14 C ATOM 414 CD GLU A 29 22.894 -7.434 -14.380 1.00 1.04 C ATOM 415 OE1 GLU A 29 23.025 -7.725 -13.172 1.00 73.45 O ATOM 416 OE2 GLU A 29 23.793 -6.889 -15.054 1.00 51.01 O ATOM 0 H GLU A 29 20.397 -8.427 -18.040 1.00 71.02 H new ATOM 0 HA GLU A 29 20.065 -10.649 -16.234 1.00 54.13 H new ATOM 0 HB2 GLU A 29 21.132 -9.714 -14.320 1.00 52.54 H new ATOM 0 HB3 GLU A 29 22.325 -9.689 -15.604 1.00 52.54 H new ATOM 0 HG2 GLU A 29 21.539 -7.249 -16.025 1.00 1.14 H new ATOM 0 HG3 GLU A 29 20.757 -7.369 -14.461 1.00 1.14 H new ATOM 423 N GLU A 30 18.345 -9.191 -14.902 1.00 65.50 N ATOM 424 CA GLU A 30 17.116 -8.525 -14.490 1.00 53.34 C ATOM 425 C GLU A 30 16.852 -8.740 -13.003 1.00 33.01 C ATOM 426 O GLU A 30 16.789 -9.875 -12.530 1.00 72.35 O ATOM 427 CB GLU A 30 15.931 -9.040 -15.310 1.00 32.52 C ATOM 428 CG GLU A 30 14.597 -8.442 -14.895 1.00 44.42 C ATOM 429 CD GLU A 30 13.437 -8.982 -15.709 1.00 2.54 C ATOM 430 OE1 GLU A 30 13.418 -10.201 -15.976 1.00 71.41 O ATOM 431 OE2 GLU A 30 12.549 -8.185 -16.078 1.00 22.23 O ATOM 0 H GLU A 30 18.626 -9.967 -14.302 1.00 65.50 H new ATOM 0 HA GLU A 30 17.235 -7.456 -14.669 1.00 53.34 H new ATOM 0 HB2 GLU A 30 16.106 -8.820 -16.363 1.00 32.52 H new ATOM 0 HB3 GLU A 30 15.879 -10.125 -15.215 1.00 32.52 H new ATOM 0 HG2 GLU A 30 14.423 -8.650 -13.839 1.00 44.42 H new ATOM 0 HG3 GLU A 30 14.639 -7.358 -15.004 1.00 44.42 H new ATOM 438 N TYR A 31 16.699 -7.643 -12.271 1.00 13.55 N ATOM 439 CA TYR A 31 16.445 -7.710 -10.836 1.00 54.04 C ATOM 440 C TYR A 31 15.752 -6.442 -10.346 1.00 32.44 C ATOM 441 O TYR A 31 15.757 -5.415 -11.024 1.00 2.22 O ATOM 442 CB TYR A 31 17.755 -7.916 -10.074 1.00 73.12 C ATOM 443 CG TYR A 31 18.734 -6.775 -10.233 1.00 13.20 C ATOM 444 CD1 TYR A 31 18.581 -5.598 -9.511 1.00 2.44 C ATOM 445 CD2 TYR A 31 19.810 -6.873 -11.106 1.00 2.13 C ATOM 446 CE1 TYR A 31 19.473 -4.552 -9.653 1.00 13.22 C ATOM 447 CE2 TYR A 31 20.707 -5.833 -11.253 1.00 43.12 C ATOM 448 CZ TYR A 31 20.534 -4.674 -10.525 1.00 23.42 C ATOM 449 OH TYR A 31 21.425 -3.636 -10.670 1.00 11.41 O ATOM 0 H TYR A 31 16.746 -6.696 -12.647 1.00 13.55 H new ATOM 0 HA TYR A 31 15.786 -8.558 -10.648 1.00 54.04 H new ATOM 0 HB2 TYR A 31 17.533 -8.048 -9.015 1.00 73.12 H new ATOM 0 HB3 TYR A 31 18.225 -8.837 -10.418 1.00 73.12 H new ATOM 0 HD1 TYR A 31 17.751 -5.499 -8.827 1.00 2.44 H new ATOM 0 HD2 TYR A 31 19.948 -7.778 -11.680 1.00 2.13 H new ATOM 0 HE1 TYR A 31 19.340 -3.644 -9.084 1.00 13.22 H new ATOM 0 HE2 TYR A 31 21.540 -5.927 -11.934 1.00 43.12 H new ATOM 0 HH TYR A 31 21.142 -3.063 -11.413 1.00 11.41 H new ATOM 459 N LYS A 32 15.156 -6.523 -9.161 1.00 12.22 N ATOM 460 CA LYS A 32 14.459 -5.383 -8.575 1.00 64.43 C ATOM 461 C LYS A 32 14.749 -5.278 -7.081 1.00 73.13 C ATOM 462 O LYS A 32 14.694 -6.272 -6.357 1.00 65.14 O ATOM 463 CB LYS A 32 12.952 -5.508 -8.806 1.00 14.40 C ATOM 464 CG LYS A 32 12.532 -5.240 -10.241 1.00 13.21 C ATOM 465 CD LYS A 32 11.410 -6.168 -10.676 1.00 63.13 C ATOM 466 CE LYS A 32 11.954 -7.455 -11.279 1.00 11.52 C ATOM 467 NZ LYS A 32 10.864 -8.331 -11.790 1.00 62.31 N ATOM 0 H LYS A 32 15.141 -7.366 -8.587 1.00 12.22 H new ATOM 0 HA LYS A 32 14.821 -4.477 -9.062 1.00 64.43 H new ATOM 0 HB2 LYS A 32 12.632 -6.511 -8.524 1.00 14.40 H new ATOM 0 HB3 LYS A 32 12.433 -4.811 -8.148 1.00 14.40 H new ATOM 0 HG2 LYS A 32 12.207 -4.204 -10.339 1.00 13.21 H new ATOM 0 HG3 LYS A 32 13.389 -5.369 -10.902 1.00 13.21 H new ATOM 0 HD2 LYS A 32 10.779 -6.404 -9.819 1.00 63.13 H new ATOM 0 HD3 LYS A 32 10.779 -5.661 -11.406 1.00 63.13 H new ATOM 0 HE2 LYS A 32 12.638 -7.214 -12.093 1.00 11.52 H new ATOM 0 HE3 LYS A 32 12.530 -7.993 -10.527 1.00 11.52 H new ATOM 0 HZ1 LYS A 32 11.200 -8.853 -12.624 1.00 62.31 H new ATOM 0 HZ2 LYS A 32 10.584 -9.005 -11.049 1.00 62.31 H new ATOM 0 HZ3 LYS A 32 10.045 -7.747 -12.054 1.00 62.31 H new ATOM 481 N SER A 33 15.055 -4.067 -6.626 1.00 72.24 N ATOM 482 CA SER A 33 15.355 -3.833 -5.219 1.00 12.22 C ATOM 483 C SER A 33 15.361 -2.340 -4.906 1.00 45.41 C ATOM 484 O SER A 33 15.768 -1.522 -5.732 1.00 63.02 O ATOM 485 CB SER A 33 16.708 -4.448 -4.855 1.00 15.34 C ATOM 486 OG SER A 33 17.772 -3.575 -5.192 1.00 12.03 O ATOM 0 H SER A 33 15.102 -3.233 -7.212 1.00 72.24 H new ATOM 0 HA SER A 33 14.576 -4.308 -4.623 1.00 12.22 H new ATOM 0 HB2 SER A 33 16.737 -4.666 -3.787 1.00 15.34 H new ATOM 0 HB3 SER A 33 16.832 -5.397 -5.377 1.00 15.34 H new ATOM 0 HG SER A 33 18.626 -3.990 -4.948 1.00 12.03 H new ATOM 492 N CYS A 34 14.908 -1.991 -3.707 1.00 13.31 N ATOM 493 CA CYS A 34 14.860 -0.597 -3.283 1.00 12.33 C ATOM 494 C CYS A 34 14.287 -0.476 -1.874 1.00 34.35 C ATOM 495 O CYS A 34 14.132 -1.472 -1.168 1.00 2.04 O ATOM 496 CB CYS A 34 14.018 0.227 -4.259 1.00 62.25 C ATOM 497 SG CYS A 34 14.754 1.833 -4.703 1.00 54.33 S ATOM 0 H CYS A 34 14.569 -2.655 -3.011 1.00 13.31 H new ATOM 0 HA CYS A 34 15.879 -0.211 -3.277 1.00 12.33 H new ATOM 0 HB2 CYS A 34 13.863 -0.354 -5.168 1.00 62.25 H new ATOM 0 HB3 CYS A 34 13.036 0.399 -3.819 1.00 62.25 H new ATOM 0 HG CYS A 34 15.958 1.908 -4.218 1.00 54.33 H new ATOM 502 N GLY A 35 13.973 0.751 -1.471 1.00 54.50 N ATOM 503 CA GLY A 35 13.420 0.980 -0.149 1.00 1.12 C ATOM 504 C GLY A 35 13.330 2.454 0.195 1.00 22.43 C ATOM 505 O GLY A 35 12.249 3.042 0.157 1.00 20.32 O ATOM 0 H GLY A 35 14.092 1.591 -2.037 1.00 54.50 H new ATOM 0 HA2 GLY A 35 12.426 0.536 -0.092 1.00 1.12 H new ATOM 0 HA3 GLY A 35 14.038 0.474 0.593 1.00 1.12 H new ATOM 509 N ILE A 36 14.468 3.051 0.533 1.00 31.14 N ATOM 510 CA ILE A 36 14.512 4.464 0.886 1.00 4.52 C ATOM 511 C ILE A 36 15.255 5.272 -0.173 1.00 11.32 C ATOM 512 O ILE A 36 16.214 4.790 -0.775 1.00 1.54 O ATOM 513 CB ILE A 36 15.191 4.683 2.252 1.00 72.15 C ATOM 514 CG1 ILE A 36 16.366 3.718 2.422 1.00 73.30 C ATOM 515 CG2 ILE A 36 14.184 4.504 3.378 1.00 52.31 C ATOM 516 CD1 ILE A 36 17.161 3.952 3.687 1.00 64.21 C ATOM 0 H ILE A 36 15.371 2.578 0.570 1.00 31.14 H new ATOM 0 HA ILE A 36 13.479 4.807 0.944 1.00 4.52 H new ATOM 0 HB ILE A 36 15.574 5.703 2.292 1.00 72.15 H new ATOM 0 HG12 ILE A 36 15.989 2.695 2.423 1.00 73.30 H new ATOM 0 HG13 ILE A 36 17.030 3.812 1.563 1.00 73.30 H new ATOM 0 HG21 ILE A 36 14.678 4.662 4.337 1.00 52.31 H new ATOM 0 HG22 ILE A 36 13.377 5.227 3.263 1.00 52.31 H new ATOM 0 HG23 ILE A 36 13.774 3.494 3.343 1.00 52.31 H new ATOM 0 HD11 ILE A 36 17.978 3.232 3.742 1.00 64.21 H new ATOM 0 HD12 ILE A 36 17.568 4.963 3.679 1.00 64.21 H new ATOM 0 HD13 ILE A 36 16.511 3.830 4.553 1.00 64.21 H new ATOM 528 N GLN A 37 14.805 6.503 -0.393 1.00 43.42 N ATOM 529 CA GLN A 37 15.428 7.379 -1.379 1.00 23.30 C ATOM 530 C GLN A 37 16.912 7.567 -1.079 1.00 53.41 C ATOM 531 O GLN A 37 17.690 7.934 -1.959 1.00 21.22 O ATOM 532 CB GLN A 37 14.724 8.736 -1.404 1.00 42.41 C ATOM 533 CG GLN A 37 15.058 9.572 -2.629 1.00 42.40 C ATOM 534 CD GLN A 37 13.965 9.533 -3.678 1.00 71.45 C ATOM 535 OE1 GLN A 37 13.208 10.490 -3.839 1.00 53.24 O ATOM 536 NE2 GLN A 37 13.877 8.421 -4.400 1.00 52.41 N ATOM 0 H GLN A 37 14.012 6.916 0.098 1.00 43.42 H new ATOM 0 HA GLN A 37 15.331 6.910 -2.358 1.00 23.30 H new ATOM 0 HB2 GLN A 37 13.646 8.578 -1.365 1.00 42.41 H new ATOM 0 HB3 GLN A 37 14.997 9.294 -0.508 1.00 42.41 H new ATOM 0 HG2 GLN A 37 15.227 10.605 -2.324 1.00 42.40 H new ATOM 0 HG3 GLN A 37 15.989 9.212 -3.067 1.00 42.40 H new ATOM 0 HE21 GLN A 37 14.526 7.652 -4.233 1.00 52.41 H new ATOM 0 HE22 GLN A 37 13.161 8.337 -5.121 1.00 52.41 H new ATOM 545 N GLU A 38 17.295 7.315 0.169 1.00 61.14 N ATOM 546 CA GLU A 38 18.686 7.459 0.584 1.00 75.34 C ATOM 547 C GLU A 38 19.528 6.291 0.079 1.00 74.53 C ATOM 548 O GLU A 38 20.674 6.470 -0.330 1.00 40.45 O ATOM 549 CB GLU A 38 18.779 7.548 2.108 1.00 22.43 C ATOM 550 CG GLU A 38 20.078 8.161 2.603 1.00 2.05 C ATOM 551 CD GLU A 38 20.009 9.673 2.703 1.00 31.51 C ATOM 552 OE1 GLU A 38 19.424 10.301 1.797 1.00 42.35 O ATOM 553 OE2 GLU A 38 20.540 10.226 3.689 1.00 54.42 O ATOM 0 H GLU A 38 16.663 7.011 0.909 1.00 61.14 H new ATOM 0 HA GLU A 38 19.075 8.379 0.149 1.00 75.34 H new ATOM 0 HB2 GLU A 38 17.943 8.139 2.481 1.00 22.43 H new ATOM 0 HB3 GLU A 38 18.675 6.548 2.529 1.00 22.43 H new ATOM 0 HG2 GLU A 38 20.321 7.747 3.581 1.00 2.05 H new ATOM 0 HG3 GLU A 38 20.887 7.882 1.928 1.00 2.05 H new ATOM 560 N GLU A 39 18.949 5.094 0.112 1.00 64.12 N ATOM 561 CA GLU A 39 19.647 3.896 -0.341 1.00 42.31 C ATOM 562 C GLU A 39 19.501 3.719 -1.850 1.00 4.43 C ATOM 563 O GLU A 39 20.384 3.171 -2.510 1.00 42.23 O ATOM 564 CB GLU A 39 19.108 2.661 0.383 1.00 63.42 C ATOM 565 CG GLU A 39 17.922 2.016 -0.314 1.00 51.11 C ATOM 566 CD GLU A 39 17.339 0.860 0.475 1.00 23.22 C ATOM 567 OE1 GLU A 39 17.699 0.712 1.662 1.00 31.31 O ATOM 568 OE2 GLU A 39 16.525 0.103 -0.093 1.00 53.33 O ATOM 0 H GLU A 39 18.000 4.929 0.447 1.00 64.12 H new ATOM 0 HA GLU A 39 20.705 4.013 -0.107 1.00 42.31 H new ATOM 0 HB2 GLU A 39 19.908 1.926 0.475 1.00 63.42 H new ATOM 0 HB3 GLU A 39 18.815 2.942 1.395 1.00 63.42 H new ATOM 0 HG2 GLU A 39 17.149 2.767 -0.476 1.00 51.11 H new ATOM 0 HG3 GLU A 39 18.232 1.660 -1.297 1.00 51.11 H new ATOM 575 N CYS A 40 18.380 4.187 -2.389 1.00 24.13 N ATOM 576 CA CYS A 40 18.116 4.081 -3.818 1.00 63.55 C ATOM 577 C CYS A 40 18.936 5.103 -4.601 1.00 20.25 C ATOM 578 O CYS A 40 19.447 4.808 -5.680 1.00 72.43 O ATOM 579 CB CYS A 40 16.626 4.283 -4.100 1.00 21.24 C ATOM 580 SG CYS A 40 15.759 2.773 -4.636 1.00 10.13 S ATOM 0 H CYS A 40 17.640 4.644 -1.856 1.00 24.13 H new ATOM 0 HA CYS A 40 18.408 3.082 -4.142 1.00 63.55 H new ATOM 0 HB2 CYS A 40 16.145 4.665 -3.199 1.00 21.24 H new ATOM 0 HB3 CYS A 40 16.513 5.047 -4.870 1.00 21.24 H new ATOM 0 HG CYS A 40 14.479 2.924 -4.465 1.00 10.13 H new ATOM 585 N GLU A 41 19.057 6.305 -4.046 1.00 55.35 N ATOM 586 CA GLU A 41 19.814 7.371 -4.693 1.00 34.13 C ATOM 587 C GLU A 41 21.269 6.959 -4.895 1.00 72.33 C ATOM 588 O GLU A 41 21.975 7.525 -5.730 1.00 70.30 O ATOM 589 CB GLU A 41 19.746 8.652 -3.859 1.00 43.31 C ATOM 590 CG GLU A 41 20.555 9.800 -4.440 1.00 61.34 C ATOM 591 CD GLU A 41 20.153 11.145 -3.868 1.00 43.34 C ATOM 592 OE1 GLU A 41 18.936 11.402 -3.756 1.00 21.34 O ATOM 593 OE2 GLU A 41 21.055 11.942 -3.534 1.00 30.42 O ATOM 0 H GLU A 41 18.641 6.565 -3.151 1.00 55.35 H new ATOM 0 HA GLU A 41 19.369 7.558 -5.670 1.00 34.13 H new ATOM 0 HB2 GLU A 41 18.705 8.962 -3.768 1.00 43.31 H new ATOM 0 HB3 GLU A 41 20.104 8.439 -2.852 1.00 43.31 H new ATOM 0 HG2 GLU A 41 21.614 9.628 -4.245 1.00 61.34 H new ATOM 0 HG3 GLU A 41 20.429 9.817 -5.523 1.00 61.34 H new ATOM 600 N ASP A 42 21.710 5.970 -4.126 1.00 10.15 N ATOM 601 CA ASP A 42 23.081 5.481 -4.220 1.00 34.11 C ATOM 602 C ASP A 42 23.439 5.144 -5.664 1.00 2.21 C ATOM 603 O ASP A 42 24.597 5.248 -6.066 1.00 44.15 O ATOM 604 CB ASP A 42 23.267 4.248 -3.334 1.00 73.13 C ATOM 605 CG ASP A 42 24.719 3.824 -3.229 1.00 14.50 C ATOM 606 OD1 ASP A 42 25.499 4.541 -2.567 1.00 64.44 O ATOM 607 OD2 ASP A 42 25.074 2.777 -3.807 1.00 70.44 O ATOM 0 H ASP A 42 21.138 5.491 -3.430 1.00 10.15 H new ATOM 0 HA ASP A 42 23.748 6.271 -3.874 1.00 34.11 H new ATOM 0 HB2 ASP A 42 22.880 4.459 -2.337 1.00 73.13 H new ATOM 0 HB3 ASP A 42 22.679 3.423 -3.736 1.00 73.13 H new ATOM 612 N ALA A 43 22.438 4.739 -6.438 1.00 14.50 N ATOM 613 CA ALA A 43 22.647 4.388 -7.837 1.00 42.41 C ATOM 614 C ALA A 43 23.031 5.614 -8.659 1.00 50.01 C ATOM 615 O ALA A 43 22.170 6.290 -9.220 1.00 54.31 O ATOM 616 CB ALA A 43 21.398 3.736 -8.410 1.00 70.04 C ATOM 0 H ALA A 43 21.473 4.646 -6.120 1.00 14.50 H new ATOM 0 HA ALA A 43 23.471 3.676 -7.888 1.00 42.41 H new ATOM 0 HB1 ALA A 43 21.569 3.479 -9.455 1.00 70.04 H new ATOM 0 HB2 ALA A 43 21.169 2.831 -7.847 1.00 70.04 H new ATOM 0 HB3 ALA A 43 20.560 4.430 -8.339 1.00 70.04 H new ATOM 622 N GLU A 44 24.329 5.894 -8.725 1.00 11.21 N ATOM 623 CA GLU A 44 24.825 7.040 -9.478 1.00 0.33 C ATOM 624 C GLU A 44 24.678 6.810 -10.979 1.00 64.20 C ATOM 625 O GLU A 44 24.810 5.686 -11.461 1.00 63.24 O ATOM 626 CB GLU A 44 26.291 7.309 -9.133 1.00 3.13 C ATOM 627 CG GLU A 44 26.703 8.760 -9.315 1.00 44.14 C ATOM 628 CD GLU A 44 27.905 9.136 -8.471 1.00 24.02 C ATOM 629 OE1 GLU A 44 28.625 8.220 -8.021 1.00 43.05 O ATOM 630 OE2 GLU A 44 28.126 10.347 -8.260 1.00 11.04 O ATOM 0 H GLU A 44 25.055 5.344 -8.267 1.00 11.21 H new ATOM 0 HA GLU A 44 24.229 7.910 -9.201 1.00 0.33 H new ATOM 0 HB2 GLU A 44 26.472 7.016 -8.099 1.00 3.13 H new ATOM 0 HB3 GLU A 44 26.924 6.679 -9.758 1.00 3.13 H new ATOM 0 HG2 GLU A 44 26.931 8.940 -10.366 1.00 44.14 H new ATOM 0 HG3 GLU A 44 25.865 9.407 -9.055 1.00 44.14 H new ATOM 637 N GLY A 45 24.404 7.884 -11.713 1.00 13.22 N ATOM 638 CA GLY A 45 24.243 7.779 -13.151 1.00 74.32 C ATOM 639 C GLY A 45 22.797 7.574 -13.559 1.00 42.43 C ATOM 640 O GLY A 45 22.319 8.198 -14.506 1.00 73.44 O ATOM 0 H GLY A 45 24.291 8.825 -11.337 1.00 13.22 H new ATOM 0 HA2 GLY A 45 24.626 8.684 -13.623 1.00 74.32 H new ATOM 0 HA3 GLY A 45 24.843 6.948 -13.521 1.00 74.32 H new ATOM 644 N ALA A 46 22.100 6.698 -12.844 1.00 22.40 N ATOM 645 CA ALA A 46 20.701 6.413 -13.137 1.00 10.02 C ATOM 646 C ALA A 46 19.777 7.150 -12.173 1.00 25.24 C ATOM 647 O ALA A 46 20.139 7.407 -11.024 1.00 32.44 O ATOM 648 CB ALA A 46 20.443 4.915 -13.076 1.00 63.35 C ATOM 0 H ALA A 46 22.481 6.173 -12.057 1.00 22.40 H new ATOM 0 HA ALA A 46 20.488 6.766 -14.146 1.00 10.02 H new ATOM 0 HB1 ALA A 46 19.394 4.717 -13.297 1.00 63.35 H new ATOM 0 HB2 ALA A 46 21.070 4.408 -13.809 1.00 63.35 H new ATOM 0 HB3 ALA A 46 20.680 4.545 -12.078 1.00 63.35 H new ATOM 654 N THR A 47 18.583 7.489 -12.647 1.00 72.12 N ATOM 655 CA THR A 47 17.608 8.198 -11.828 1.00 21.01 C ATOM 656 C THR A 47 16.585 7.236 -11.234 1.00 44.21 C ATOM 657 O THR A 47 16.151 6.291 -11.893 1.00 50.30 O ATOM 658 CB THR A 47 16.869 9.277 -12.642 1.00 0.03 C ATOM 659 OG1 THR A 47 17.765 9.882 -13.581 1.00 70.40 O ATOM 660 CG2 THR A 47 16.291 10.345 -11.725 1.00 72.32 C ATOM 0 H THR A 47 18.267 7.284 -13.595 1.00 72.12 H new ATOM 0 HA THR A 47 18.162 8.678 -11.021 1.00 21.01 H new ATOM 0 HB THR A 47 16.050 8.798 -13.179 1.00 0.03 H new ATOM 0 HG1 THR A 47 17.287 10.565 -14.096 1.00 70.40 H new ATOM 0 HG21 THR A 47 15.774 11.096 -12.322 1.00 72.32 H new ATOM 0 HG22 THR A 47 15.587 9.886 -11.030 1.00 72.32 H new ATOM 0 HG23 THR A 47 17.097 10.819 -11.165 1.00 72.32 H new ATOM 668 N VAL A 48 16.204 7.483 -9.985 1.00 35.21 N ATOM 669 CA VAL A 48 15.230 6.639 -9.303 1.00 13.15 C ATOM 670 C VAL A 48 13.861 7.310 -9.252 1.00 25.31 C ATOM 671 O VAL A 48 13.707 8.387 -8.675 1.00 52.24 O ATOM 672 CB VAL A 48 15.681 6.309 -7.867 1.00 51.23 C ATOM 673 CG1 VAL A 48 14.640 5.452 -7.164 1.00 15.54 C ATOM 674 CG2 VAL A 48 17.034 5.614 -7.881 1.00 40.12 C ATOM 0 H VAL A 48 16.555 8.260 -9.425 1.00 35.21 H new ATOM 0 HA VAL A 48 15.157 5.714 -9.875 1.00 13.15 H new ATOM 0 HB VAL A 48 15.783 7.242 -7.313 1.00 51.23 H new ATOM 0 HG11 VAL A 48 14.976 5.229 -6.151 1.00 15.54 H new ATOM 0 HG12 VAL A 48 13.693 5.991 -7.122 1.00 15.54 H new ATOM 0 HG13 VAL A 48 14.503 4.521 -7.714 1.00 15.54 H new ATOM 0 HG21 VAL A 48 17.338 5.388 -6.859 1.00 40.12 H new ATOM 0 HG22 VAL A 48 16.961 4.688 -8.451 1.00 40.12 H new ATOM 0 HG23 VAL A 48 17.774 6.267 -8.343 1.00 40.12 H new ATOM 684 N LEU A 49 12.870 6.666 -9.858 1.00 65.43 N ATOM 685 CA LEU A 49 11.513 7.199 -9.882 1.00 51.14 C ATOM 686 C LEU A 49 10.510 6.158 -9.395 1.00 1.34 C ATOM 687 O LEU A 49 10.560 4.996 -9.798 1.00 30.24 O ATOM 688 CB LEU A 49 11.147 7.653 -11.297 1.00 21.23 C ATOM 689 CG LEU A 49 10.098 8.761 -11.396 1.00 3.01 C ATOM 690 CD1 LEU A 49 10.767 10.125 -11.460 1.00 45.11 C ATOM 691 CD2 LEU A 49 9.207 8.545 -12.610 1.00 72.51 C ATOM 0 H LEU A 49 12.981 5.774 -10.339 1.00 65.43 H new ATOM 0 HA LEU A 49 11.474 8.056 -9.210 1.00 51.14 H new ATOM 0 HB2 LEU A 49 12.055 7.995 -11.794 1.00 21.23 H new ATOM 0 HB3 LEU A 49 10.786 6.788 -11.853 1.00 21.23 H new ATOM 0 HG LEU A 49 9.475 8.726 -10.502 1.00 3.01 H new ATOM 0 HD11 LEU A 49 10.005 10.901 -11.530 1.00 45.11 H new ATOM 0 HD12 LEU A 49 11.362 10.281 -10.560 1.00 45.11 H new ATOM 0 HD13 LEU A 49 11.414 10.172 -12.336 1.00 45.11 H new ATOM 0 HD21 LEU A 49 8.466 9.343 -12.664 1.00 72.51 H new ATOM 0 HD22 LEU A 49 9.816 8.553 -13.514 1.00 72.51 H new ATOM 0 HD23 LEU A 49 8.699 7.584 -12.522 1.00 72.51 H new ATOM 703 N CYS A 50 9.599 6.584 -8.526 1.00 73.23 N ATOM 704 CA CYS A 50 8.582 5.690 -7.984 1.00 43.33 C ATOM 705 C CYS A 50 7.182 6.239 -8.243 1.00 20.04 C ATOM 706 O CYS A 50 6.977 7.452 -8.287 1.00 11.31 O ATOM 707 CB CYS A 50 8.796 5.493 -6.482 1.00 75.22 C ATOM 708 SG CYS A 50 8.185 3.898 -5.848 1.00 14.23 S ATOM 0 H CYS A 50 9.544 7.543 -8.182 1.00 73.23 H new ATOM 0 HA CYS A 50 8.674 4.727 -8.486 1.00 43.33 H new ATOM 0 HB2 CYS A 50 9.861 5.575 -6.264 1.00 75.22 H new ATOM 0 HB3 CYS A 50 8.297 6.300 -5.946 1.00 75.22 H new ATOM 713 N CYS A 51 6.221 5.337 -8.412 1.00 62.14 N ATOM 714 CA CYS A 51 4.840 5.728 -8.666 1.00 41.54 C ATOM 715 C CYS A 51 4.006 5.640 -7.391 1.00 43.04 C ATOM 716 O CYS A 51 4.276 4.837 -6.498 1.00 1.11 O ATOM 717 CB CYS A 51 4.228 4.841 -9.752 1.00 12.11 C ATOM 718 SG CYS A 51 5.387 4.386 -11.082 1.00 13.32 S ATOM 0 H CYS A 51 6.374 4.329 -8.378 1.00 62.14 H new ATOM 0 HA CYS A 51 4.839 6.763 -9.009 1.00 41.54 H new ATOM 0 HB2 CYS A 51 3.847 3.930 -9.290 1.00 12.11 H new ATOM 0 HB3 CYS A 51 3.374 5.358 -10.190 1.00 12.11 H new ATOM 723 N PRO A 52 2.968 6.485 -7.304 1.00 31.41 N ATOM 724 CA PRO A 52 2.073 6.521 -6.144 1.00 32.04 C ATOM 725 C PRO A 52 1.195 5.277 -6.049 1.00 45.40 C ATOM 726 O PRO A 52 0.500 5.072 -5.055 1.00 1.12 O ATOM 727 CB PRO A 52 1.215 7.763 -6.396 1.00 74.15 C ATOM 728 CG PRO A 52 1.235 7.943 -7.875 1.00 44.02 C ATOM 729 CD PRO A 52 2.587 7.469 -8.331 1.00 64.42 C ATOM 0 HA PRO A 52 2.625 6.551 -5.205 1.00 32.04 H new ATOM 0 HB2 PRO A 52 0.199 7.623 -6.028 1.00 74.15 H new ATOM 0 HB3 PRO A 52 1.622 8.636 -5.885 1.00 74.15 H new ATOM 0 HG2 PRO A 52 0.439 7.368 -8.349 1.00 44.02 H new ATOM 0 HG3 PRO A 52 1.077 8.988 -8.143 1.00 44.02 H new ATOM 0 HD2 PRO A 52 2.541 7.018 -9.322 1.00 64.42 H new ATOM 0 HD3 PRO A 52 3.303 8.289 -8.387 1.00 64.42 H new ATOM 737 N GLU A 53 1.234 4.451 -7.090 1.00 12.13 N ATOM 738 CA GLU A 53 0.441 3.228 -7.123 1.00 31.35 C ATOM 739 C GLU A 53 1.256 2.038 -6.623 1.00 35.11 C ATOM 740 O GLU A 53 2.412 2.186 -6.229 1.00 25.32 O ATOM 741 CB GLU A 53 -0.060 2.956 -8.542 1.00 54.35 C ATOM 742 CG GLU A 53 -1.235 3.829 -8.950 1.00 52.44 C ATOM 743 CD GLU A 53 -0.802 5.194 -9.451 1.00 70.42 C ATOM 744 OE1 GLU A 53 0.310 5.295 -10.010 1.00 52.52 O ATOM 745 OE2 GLU A 53 -1.576 6.159 -9.284 1.00 10.41 O ATOM 0 H GLU A 53 1.806 4.606 -7.920 1.00 12.13 H new ATOM 0 HA GLU A 53 -0.416 3.363 -6.463 1.00 31.35 H new ATOM 0 HB2 GLU A 53 0.759 3.113 -9.244 1.00 54.35 H new ATOM 0 HB3 GLU A 53 -0.352 1.909 -8.621 1.00 54.35 H new ATOM 0 HG2 GLU A 53 -1.805 3.324 -9.730 1.00 52.44 H new ATOM 0 HG3 GLU A 53 -1.903 3.954 -8.098 1.00 52.44 H new ATOM 752 N ASP A 54 0.643 0.859 -6.642 1.00 12.40 N ATOM 753 CA ASP A 54 1.310 -0.357 -6.192 1.00 1.43 C ATOM 754 C ASP A 54 1.931 -1.103 -7.368 1.00 44.02 C ATOM 755 O ASP A 54 1.409 -1.071 -8.483 1.00 41.33 O ATOM 756 CB ASP A 54 0.321 -1.265 -5.460 1.00 62.40 C ATOM 757 CG ASP A 54 -0.999 -1.394 -6.194 1.00 12.11 C ATOM 758 OD1 ASP A 54 -1.887 -0.545 -5.971 1.00 15.42 O ATOM 759 OD2 ASP A 54 -1.144 -2.343 -6.992 1.00 21.10 O ATOM 0 H ASP A 54 -0.315 0.720 -6.964 1.00 12.40 H new ATOM 0 HA ASP A 54 2.107 -0.072 -5.505 1.00 1.43 H new ATOM 0 HB2 ASP A 54 0.763 -2.254 -5.337 1.00 62.40 H new ATOM 0 HB3 ASP A 54 0.140 -0.870 -4.460 1.00 62.40 H new ATOM 764 N LEU A 55 3.049 -1.774 -7.113 1.00 3.43 N ATOM 765 CA LEU A 55 3.743 -2.528 -8.151 1.00 2.21 C ATOM 766 C LEU A 55 4.139 -1.620 -9.311 1.00 72.11 C ATOM 767 O LEU A 55 3.666 -1.790 -10.435 1.00 50.34 O ATOM 768 CB LEU A 55 2.858 -3.667 -8.659 1.00 22.42 C ATOM 769 CG LEU A 55 2.464 -4.723 -7.625 1.00 51.11 C ATOM 770 CD1 LEU A 55 1.610 -5.805 -8.267 1.00 33.34 C ATOM 771 CD2 LEU A 55 3.703 -5.329 -6.983 1.00 30.32 C ATOM 0 H LEU A 55 3.494 -1.811 -6.196 1.00 3.43 H new ATOM 0 HA LEU A 55 4.650 -2.947 -7.716 1.00 2.21 H new ATOM 0 HB2 LEU A 55 1.947 -3.235 -9.073 1.00 22.42 H new ATOM 0 HB3 LEU A 55 3.376 -4.165 -9.478 1.00 22.42 H new ATOM 0 HG LEU A 55 1.876 -4.239 -6.845 1.00 51.11 H new ATOM 0 HD11 LEU A 55 1.339 -6.548 -7.517 1.00 33.34 H new ATOM 0 HD12 LEU A 55 0.705 -5.358 -8.678 1.00 33.34 H new ATOM 0 HD13 LEU A 55 2.173 -6.286 -9.067 1.00 33.34 H new ATOM 0 HD21 LEU A 55 3.404 -6.078 -6.250 1.00 30.32 H new ATOM 0 HD22 LEU A 55 4.318 -5.798 -7.751 1.00 30.32 H new ATOM 0 HD23 LEU A 55 4.276 -4.545 -6.487 1.00 30.32 H new ATOM 783 N CYS A 56 5.011 -0.657 -9.031 1.00 74.05 N ATOM 784 CA CYS A 56 5.472 0.277 -10.051 1.00 42.02 C ATOM 785 C CYS A 56 6.849 -0.125 -10.574 1.00 15.43 C ATOM 786 O CYS A 56 7.257 0.289 -11.658 1.00 72.31 O ATOM 787 CB CYS A 56 5.524 1.698 -9.485 1.00 60.44 C ATOM 788 SG CYS A 56 6.082 2.954 -10.680 1.00 44.05 S ATOM 0 H CYS A 56 5.412 -0.503 -8.106 1.00 74.05 H new ATOM 0 HA CYS A 56 4.765 0.249 -10.880 1.00 42.02 H new ATOM 0 HB2 CYS A 56 4.532 1.970 -9.124 1.00 60.44 H new ATOM 0 HB3 CYS A 56 6.191 1.710 -8.623 1.00 60.44 H new ATOM 793 N ASN A 57 7.559 -0.933 -9.794 1.00 35.51 N ATOM 794 CA ASN A 57 8.889 -1.391 -10.177 1.00 61.24 C ATOM 795 C ASN A 57 8.898 -2.898 -10.418 1.00 54.34 C ATOM 796 O ASN A 57 9.941 -3.544 -10.330 1.00 21.23 O ATOM 797 CB ASN A 57 9.907 -1.031 -9.093 1.00 61.14 C ATOM 798 CG ASN A 57 9.772 -1.904 -7.860 1.00 51.54 C ATOM 799 OD1 ASN A 57 8.718 -1.940 -7.225 1.00 21.30 O ATOM 800 ND2 ASN A 57 10.842 -2.611 -7.516 1.00 74.24 N ATOM 0 H ASN A 57 7.235 -1.284 -8.893 1.00 35.51 H new ATOM 0 HA ASN A 57 9.164 -0.891 -11.106 1.00 61.24 H new ATOM 0 HB2 ASN A 57 10.914 -1.131 -9.497 1.00 61.14 H new ATOM 0 HB3 ASN A 57 9.779 0.014 -8.811 1.00 61.14 H new ATOM 0 HD21 ASN A 57 10.811 -3.216 -6.695 1.00 74.24 H new ATOM 0 HD22 ASN A 57 11.694 -2.550 -8.073 1.00 74.24 H new TER 807 ASN A 57