USER MOD reduce.3.24.130724 H: found=0, std=0, add=383, rem=0, adj=13 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 10:sc= -26.3! USER MOD Set 1.2: A 40 CYS SG : rot 134:sc= -24.7! USER MOD Set 2.1: A 24 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 26 SER OG : rot 90:sc= 1.28 USER MOD Set 3.1: A 4 ASN : amide:sc= -0.279 X(o=-0.29,f=-0.014) USER MOD Set 3.2: A 57 ASN : amide:sc=-0.00722 K(o=-0.29,f=-6.7!) USER MOD Set 4.1: A 3 CYS SG : rot 70:sc= -20.5! USER MOD Set 4.2: A 13 CYS SG : rot 167:sc= -22.7! USER MOD Single : A 1 LEU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= -0.18 X(o=-0.18,f=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.511 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= -4.26! K(o=-4.3!,f=-0.19) USER MOD Single : A 23 HIS : no HD1:sc= -1.77 K(o=-1.8,f=-0.91) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 TYR OH : rot -87:sc= 0.248 USER MOD Single : A 32 LYS NZ :NH3+ 154:sc= 0.146 (180deg=0.00684) USER MOD Single : A 33 SER OG : rot 21:sc= 1.22 USER MOD Single : A 37 GLN : amide:sc= -2.78! K(o=-2.8!,f=-1.1) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 1.125 0.060 -0.177 1.00 64.21 N ATOM 2 CA LEU A 1 1.944 0.057 -1.385 1.00 10.23 C ATOM 3 C LEU A 1 2.584 -1.310 -1.606 1.00 1.44 C ATOM 4 O LEU A 1 2.868 -2.033 -0.652 1.00 31.43 O ATOM 5 CB LEU A 1 3.028 1.132 -1.292 1.00 24.02 C ATOM 6 CG LEU A 1 3.158 2.061 -2.499 1.00 70.14 C ATOM 7 CD1 LEU A 1 3.630 1.287 -3.720 1.00 62.32 C ATOM 8 CD2 LEU A 1 1.833 2.753 -2.784 1.00 41.23 C ATOM 0 H1 LEU A 1 0.700 1.000 -0.048 1.00 64.21 H new ATOM 0 H2 LEU A 1 0.371 -0.651 -0.267 1.00 64.21 H new ATOM 0 H3 LEU A 1 1.719 -0.167 0.646 1.00 64.21 H new ATOM 0 HA LEU A 1 1.296 0.275 -2.234 1.00 10.23 H new ATOM 0 HB2 LEU A 1 2.832 1.741 -0.410 1.00 24.02 H new ATOM 0 HB3 LEU A 1 3.987 0.639 -1.133 1.00 24.02 H new ATOM 0 HG LEU A 1 3.902 2.824 -2.268 1.00 70.14 H new ATOM 0 HD11 LEU A 1 3.717 1.965 -4.569 1.00 62.32 H new ATOM 0 HD12 LEU A 1 4.602 0.838 -3.513 1.00 62.32 H new ATOM 0 HD13 LEU A 1 2.910 0.502 -3.954 1.00 62.32 H new ATOM 0 HD21 LEU A 1 1.944 3.410 -3.646 1.00 41.23 H new ATOM 0 HD22 LEU A 1 1.069 2.004 -2.994 1.00 41.23 H new ATOM 0 HD23 LEU A 1 1.535 3.341 -1.916 1.00 41.23 H new ATOM 20 N GLN A 2 2.810 -1.654 -2.869 1.00 62.12 N ATOM 21 CA GLN A 2 3.419 -2.933 -3.215 1.00 34.55 C ATOM 22 C GLN A 2 4.566 -2.742 -4.201 1.00 30.02 C ATOM 23 O GLN A 2 4.558 -1.810 -5.005 1.00 42.23 O ATOM 24 CB GLN A 2 2.371 -3.876 -3.809 1.00 61.33 C ATOM 25 CG GLN A 2 1.693 -4.761 -2.776 1.00 74.32 C ATOM 26 CD GLN A 2 1.625 -6.214 -3.206 1.00 2.52 C ATOM 27 OE1 GLN A 2 1.936 -7.118 -2.430 1.00 10.44 O ATOM 28 NE2 GLN A 2 1.218 -6.445 -4.448 1.00 75.41 N ATOM 0 H GLN A 2 2.581 -1.065 -3.670 1.00 62.12 H new ATOM 0 HA GLN A 2 3.820 -3.374 -2.303 1.00 34.55 H new ATOM 0 HB2 GLN A 2 1.613 -3.285 -4.323 1.00 61.33 H new ATOM 0 HB3 GLN A 2 2.846 -4.507 -4.560 1.00 61.33 H new ATOM 0 HG2 GLN A 2 2.233 -4.690 -1.832 1.00 74.32 H new ATOM 0 HG3 GLN A 2 0.684 -4.392 -2.594 1.00 74.32 H new ATOM 0 HE21 GLN A 2 0.970 -5.665 -5.057 1.00 75.41 H new ATOM 0 HE22 GLN A 2 1.153 -7.402 -4.794 1.00 75.41 H new ATOM 37 N CYS A 3 5.552 -3.630 -4.133 1.00 61.22 N ATOM 38 CA CYS A 3 6.708 -3.559 -5.019 1.00 73.41 C ATOM 39 C CYS A 3 7.042 -4.935 -5.588 1.00 23.42 C ATOM 40 O CYS A 3 6.837 -5.956 -4.932 1.00 51.21 O ATOM 41 CB CYS A 3 7.917 -2.997 -4.270 1.00 24.22 C ATOM 42 SG CYS A 3 7.524 -1.607 -3.161 1.00 4.43 S ATOM 0 H CYS A 3 5.574 -4.408 -3.473 1.00 61.22 H new ATOM 0 HA CYS A 3 6.461 -2.894 -5.846 1.00 73.41 H new ATOM 0 HB2 CYS A 3 8.373 -3.796 -3.686 1.00 24.22 H new ATOM 0 HB3 CYS A 3 8.661 -2.669 -4.996 1.00 24.22 H new ATOM 0 HG CYS A 3 6.842 -2.043 -2.144 1.00 4.43 H new ATOM 47 N ASN A 4 7.559 -4.954 -6.812 1.00 42.11 N ATOM 48 CA ASN A 4 7.922 -6.204 -7.470 1.00 2.03 C ATOM 49 C ASN A 4 9.208 -6.776 -6.880 1.00 13.35 C ATOM 50 O ASN A 4 9.918 -6.099 -6.135 1.00 15.13 O ATOM 51 CB ASN A 4 8.093 -5.982 -8.974 1.00 32.31 C ATOM 52 CG ASN A 4 6.793 -5.594 -9.652 1.00 43.41 C ATOM 53 OD1 ASN A 4 6.141 -6.421 -10.288 1.00 75.04 O ATOM 54 ND2 ASN A 4 6.412 -4.329 -9.519 1.00 11.42 N ATOM 0 H ASN A 4 7.736 -4.118 -7.369 1.00 42.11 H new ATOM 0 HA ASN A 4 7.117 -6.920 -7.304 1.00 2.03 H new ATOM 0 HB2 ASN A 4 8.834 -5.201 -9.141 1.00 32.31 H new ATOM 0 HB3 ASN A 4 8.481 -6.892 -9.431 1.00 32.31 H new ATOM 0 HD21 ASN A 4 5.547 -4.009 -9.954 1.00 11.42 H new ATOM 0 HD22 ASN A 4 6.985 -3.678 -8.982 1.00 11.42 H new ATOM 61 N THR A 5 9.502 -8.027 -7.218 1.00 25.21 N ATOM 62 CA THR A 5 10.701 -8.691 -6.722 1.00 5.21 C ATOM 63 C THR A 5 11.526 -9.265 -7.868 1.00 43.23 C ATOM 64 O THR A 5 11.006 -9.518 -8.956 1.00 14.35 O ATOM 65 CB THR A 5 10.351 -9.824 -5.739 1.00 73.04 C ATOM 66 OG1 THR A 5 9.799 -10.937 -6.452 1.00 2.02 O ATOM 67 CG2 THR A 5 9.358 -9.344 -4.692 1.00 12.34 C ATOM 0 H THR A 5 8.926 -8.601 -7.834 1.00 25.21 H new ATOM 0 HA THR A 5 11.287 -7.935 -6.199 1.00 5.21 H new ATOM 0 HB THR A 5 11.266 -10.133 -5.234 1.00 73.04 H new ATOM 0 HG1 THR A 5 9.580 -11.654 -5.821 1.00 2.02 H new ATOM 0 HG21 THR A 5 9.126 -10.161 -4.009 1.00 12.34 H new ATOM 0 HG22 THR A 5 9.792 -8.515 -4.132 1.00 12.34 H new ATOM 0 HG23 THR A 5 8.444 -9.011 -5.183 1.00 12.34 H new ATOM 75 N LEU A 6 12.815 -9.469 -7.619 1.00 60.11 N ATOM 76 CA LEU A 6 13.713 -10.015 -8.631 1.00 52.21 C ATOM 77 C LEU A 6 13.346 -11.458 -8.963 1.00 42.44 C ATOM 78 O LEU A 6 13.711 -11.974 -10.020 1.00 4.04 O ATOM 79 CB LEU A 6 15.162 -9.943 -8.147 1.00 62.43 C ATOM 80 CG LEU A 6 15.533 -10.881 -6.997 1.00 51.43 C ATOM 81 CD1 LEU A 6 16.974 -11.346 -7.132 1.00 23.32 C ATOM 82 CD2 LEU A 6 15.315 -10.193 -5.657 1.00 45.35 C ATOM 0 H LEU A 6 13.262 -9.265 -6.725 1.00 60.11 H new ATOM 0 HA LEU A 6 13.609 -9.416 -9.536 1.00 52.21 H new ATOM 0 HB2 LEU A 6 15.817 -10.159 -8.991 1.00 62.43 H new ATOM 0 HB3 LEU A 6 15.370 -8.919 -7.836 1.00 62.43 H new ATOM 0 HG LEU A 6 14.885 -11.756 -7.043 1.00 51.43 H new ATOM 0 HD11 LEU A 6 17.220 -12.012 -6.305 1.00 23.32 H new ATOM 0 HD12 LEU A 6 17.098 -11.877 -8.076 1.00 23.32 H new ATOM 0 HD13 LEU A 6 17.638 -10.482 -7.112 1.00 23.32 H new ATOM 0 HD21 LEU A 6 15.584 -10.875 -4.850 1.00 45.35 H new ATOM 0 HD22 LEU A 6 15.938 -9.300 -5.601 1.00 45.35 H new ATOM 0 HD23 LEU A 6 14.267 -9.911 -5.559 1.00 45.35 H new ATOM 94 N ASP A 7 12.621 -12.102 -8.056 1.00 72.01 N ATOM 95 CA ASP A 7 12.201 -13.485 -8.254 1.00 3.41 C ATOM 96 C ASP A 7 10.906 -13.550 -9.057 1.00 41.23 C ATOM 97 O ASP A 7 10.337 -14.623 -9.251 1.00 20.23 O ATOM 98 CB ASP A 7 12.015 -14.181 -6.905 1.00 61.52 C ATOM 99 CG ASP A 7 12.199 -15.683 -6.999 1.00 62.43 C ATOM 100 OD1 ASP A 7 12.924 -16.136 -7.910 1.00 1.14 O ATOM 101 OD2 ASP A 7 11.618 -16.406 -6.163 1.00 75.32 O ATOM 0 H ASP A 7 12.312 -11.689 -7.176 1.00 72.01 H new ATOM 0 HA ASP A 7 12.981 -13.999 -8.815 1.00 3.41 H new ATOM 0 HB2 ASP A 7 12.728 -13.775 -6.188 1.00 61.52 H new ATOM 0 HB3 ASP A 7 11.018 -13.963 -6.521 1.00 61.52 H new ATOM 106 N GLY A 8 10.445 -12.393 -9.522 1.00 51.42 N ATOM 107 CA GLY A 8 9.220 -12.340 -10.298 1.00 75.30 C ATOM 108 C GLY A 8 7.984 -12.244 -9.425 1.00 2.21 C ATOM 109 O GLY A 8 6.878 -12.039 -9.923 1.00 0.03 O ATOM 0 H GLY A 8 10.898 -11.491 -9.375 1.00 51.42 H new ATOM 0 HA2 GLY A 8 9.255 -11.481 -10.968 1.00 75.30 H new ATOM 0 HA3 GLY A 8 9.151 -13.230 -10.923 1.00 75.30 H new ATOM 113 N GLY A 9 8.172 -12.394 -8.117 1.00 43.41 N ATOM 114 CA GLY A 9 7.055 -12.321 -7.194 1.00 1.22 C ATOM 115 C GLY A 9 6.760 -10.901 -6.752 1.00 32.33 C ATOM 116 O GLY A 9 7.446 -9.961 -7.154 1.00 64.41 O ATOM 0 H GLY A 9 9.078 -12.565 -7.681 1.00 43.41 H new ATOM 0 HA2 GLY A 9 6.168 -12.743 -7.667 1.00 1.22 H new ATOM 0 HA3 GLY A 9 7.270 -12.933 -6.318 1.00 1.22 H new ATOM 120 N THR A 10 5.733 -10.743 -5.922 1.00 5.14 N ATOM 121 CA THR A 10 5.347 -9.428 -5.427 1.00 14.23 C ATOM 122 C THR A 10 5.582 -9.314 -3.925 1.00 25.31 C ATOM 123 O THR A 10 5.413 -10.284 -3.186 1.00 42.34 O ATOM 124 CB THR A 10 3.866 -9.128 -5.726 1.00 72.04 C ATOM 125 OG1 THR A 10 3.083 -10.316 -5.565 1.00 31.14 O ATOM 126 CG2 THR A 10 3.698 -8.592 -7.140 1.00 75.32 C ATOM 0 H THR A 10 5.154 -11.510 -5.579 1.00 5.14 H new ATOM 0 HA THR A 10 5.971 -8.700 -5.946 1.00 14.23 H new ATOM 0 HB THR A 10 3.523 -8.369 -5.023 1.00 72.04 H new ATOM 0 HG1 THR A 10 2.143 -10.116 -5.755 1.00 31.14 H new ATOM 0 HG21 THR A 10 2.644 -8.387 -7.329 1.00 75.32 H new ATOM 0 HG22 THR A 10 4.272 -7.672 -7.251 1.00 75.32 H new ATOM 0 HG23 THR A 10 4.057 -9.332 -7.855 1.00 75.32 H new ATOM 134 N GLU A 11 5.973 -8.124 -3.480 1.00 64.02 N ATOM 135 CA GLU A 11 6.232 -7.885 -2.065 1.00 63.42 C ATOM 136 C GLU A 11 5.480 -6.651 -1.575 1.00 63.31 C ATOM 137 O GLU A 11 5.276 -5.698 -2.326 1.00 20.11 O ATOM 138 CB GLU A 11 7.733 -7.712 -1.821 1.00 32.35 C ATOM 139 CG GLU A 11 8.323 -6.489 -2.501 1.00 2.55 C ATOM 140 CD GLU A 11 9.632 -6.048 -1.874 1.00 41.25 C ATOM 141 OE1 GLU A 11 9.660 -5.834 -0.645 1.00 12.53 O ATOM 142 OE2 GLU A 11 10.629 -5.918 -2.615 1.00 41.43 O ATOM 0 H GLU A 11 6.117 -7.311 -4.079 1.00 64.02 H new ATOM 0 HA GLU A 11 5.878 -8.751 -1.505 1.00 63.42 H new ATOM 0 HB2 GLU A 11 7.912 -7.643 -0.748 1.00 32.35 H new ATOM 0 HB3 GLU A 11 8.255 -8.601 -2.175 1.00 32.35 H new ATOM 0 HG2 GLU A 11 8.485 -6.708 -3.556 1.00 2.55 H new ATOM 0 HG3 GLU A 11 7.606 -5.669 -2.452 1.00 2.55 H new ATOM 149 N GLU A 12 5.071 -6.678 -0.311 1.00 31.34 N ATOM 150 CA GLU A 12 4.340 -5.563 0.279 1.00 4.41 C ATOM 151 C GLU A 12 5.301 -4.530 0.861 1.00 23.14 C ATOM 152 O GLU A 12 6.115 -4.843 1.731 1.00 61.41 O ATOM 153 CB GLU A 12 3.392 -6.065 1.370 1.00 52.33 C ATOM 154 CG GLU A 12 4.063 -6.964 2.394 1.00 63.55 C ATOM 155 CD GLU A 12 3.144 -7.328 3.543 1.00 14.01 C ATOM 156 OE1 GLU A 12 2.661 -6.405 4.232 1.00 21.32 O ATOM 157 OE2 GLU A 12 2.906 -8.536 3.753 1.00 64.11 O ATOM 0 H GLU A 12 5.233 -7.459 0.324 1.00 31.34 H new ATOM 0 HA GLU A 12 3.756 -5.088 -0.509 1.00 4.41 H new ATOM 0 HB2 GLU A 12 2.955 -5.208 1.883 1.00 52.33 H new ATOM 0 HB3 GLU A 12 2.571 -6.610 0.904 1.00 52.33 H new ATOM 0 HG2 GLU A 12 4.404 -7.876 1.903 1.00 63.55 H new ATOM 0 HG3 GLU A 12 4.948 -6.464 2.786 1.00 63.55 H new ATOM 164 N CYS A 13 5.201 -3.297 0.375 1.00 25.44 N ATOM 165 CA CYS A 13 6.061 -2.218 0.845 1.00 1.32 C ATOM 166 C CYS A 13 5.433 -1.502 2.038 1.00 23.41 C ATOM 167 O CYS A 13 4.373 -0.888 1.918 1.00 11.14 O ATOM 168 CB CYS A 13 6.322 -1.218 -0.283 1.00 43.01 C ATOM 169 SG CYS A 13 7.053 -1.959 -1.778 1.00 44.43 S ATOM 0 H CYS A 13 4.533 -3.021 -0.344 1.00 25.44 H new ATOM 0 HA CYS A 13 7.008 -2.654 1.162 1.00 1.32 H new ATOM 0 HB2 CYS A 13 5.382 -0.736 -0.552 1.00 43.01 H new ATOM 0 HB3 CYS A 13 6.987 -0.437 0.085 1.00 43.01 H new ATOM 0 HG CYS A 13 6.988 -1.109 -2.760 1.00 44.43 H new ATOM 174 N ILE A 14 6.095 -1.587 3.187 1.00 64.11 N ATOM 175 CA ILE A 14 5.603 -0.947 4.401 1.00 63.24 C ATOM 176 C ILE A 14 5.676 0.572 4.289 1.00 20.14 C ATOM 177 O ILE A 14 6.686 1.141 3.876 1.00 43.31 O ATOM 178 CB ILE A 14 6.401 -1.399 5.638 1.00 10.12 C ATOM 179 CG1 ILE A 14 6.355 -2.922 5.774 1.00 75.20 C ATOM 180 CG2 ILE A 14 5.855 -0.733 6.892 1.00 13.04 C ATOM 181 CD1 ILE A 14 7.317 -3.466 6.807 1.00 74.44 C ATOM 0 H ILE A 14 6.973 -2.093 3.303 1.00 64.11 H new ATOM 0 HA ILE A 14 4.563 -1.250 4.519 1.00 63.24 H new ATOM 0 HB ILE A 14 7.440 -1.096 5.512 1.00 10.12 H new ATOM 0 HG12 ILE A 14 5.342 -3.225 6.038 1.00 75.20 H new ATOM 0 HG13 ILE A 14 6.580 -3.372 4.807 1.00 75.20 H new ATOM 0 HG21 ILE A 14 6.429 -1.062 7.758 1.00 13.04 H new ATOM 0 HG22 ILE A 14 5.935 0.350 6.793 1.00 13.04 H new ATOM 0 HG23 ILE A 14 4.809 -1.009 7.024 1.00 13.04 H new ATOM 0 HD11 ILE A 14 7.230 -4.552 6.849 1.00 74.44 H new ATOM 0 HD12 ILE A 14 8.337 -3.194 6.534 1.00 74.44 H new ATOM 0 HD13 ILE A 14 7.079 -3.045 7.784 1.00 74.44 H new ATOM 193 N PRO A 15 4.580 1.246 4.669 1.00 42.05 N ATOM 194 CA PRO A 15 4.495 2.709 4.623 1.00 63.31 C ATOM 195 C PRO A 15 5.385 3.374 5.667 1.00 23.12 C ATOM 196 O PRO A 15 4.913 3.797 6.721 1.00 35.23 O ATOM 197 CB PRO A 15 3.020 2.988 4.921 1.00 22.14 C ATOM 198 CG PRO A 15 2.561 1.804 5.701 1.00 52.40 C ATOM 199 CD PRO A 15 3.340 0.632 5.172 1.00 52.24 C ATOM 0 HA PRO A 15 4.833 3.107 3.666 1.00 63.31 H new ATOM 0 HB2 PRO A 15 2.899 3.909 5.491 1.00 22.14 H new ATOM 0 HB3 PRO A 15 2.445 3.104 4.002 1.00 22.14 H new ATOM 0 HG2 PRO A 15 2.743 1.944 6.767 1.00 52.40 H new ATOM 0 HG3 PRO A 15 1.489 1.648 5.578 1.00 52.40 H new ATOM 0 HD2 PRO A 15 3.543 -0.101 5.953 1.00 52.24 H new ATOM 0 HD3 PRO A 15 2.798 0.114 4.381 1.00 52.24 H new ATOM 207 N GLY A 16 6.677 3.464 5.367 1.00 65.44 N ATOM 208 CA GLY A 16 7.613 4.079 6.290 1.00 51.02 C ATOM 209 C GLY A 16 9.051 3.696 6.000 1.00 75.11 C ATOM 210 O GLY A 16 9.931 4.556 5.950 1.00 72.51 O ATOM 0 H GLY A 16 7.092 3.122 4.501 1.00 65.44 H new ATOM 0 HA2 GLY A 16 7.511 5.163 6.237 1.00 51.02 H new ATOM 0 HA3 GLY A 16 7.360 3.785 7.309 1.00 51.02 H new ATOM 214 N ILE A 17 9.290 2.403 5.810 1.00 32.22 N ATOM 215 CA ILE A 17 10.631 1.908 5.525 1.00 51.44 C ATOM 216 C ILE A 17 10.901 1.886 4.024 1.00 75.21 C ATOM 217 O ILE A 17 12.037 2.064 3.584 1.00 55.21 O ATOM 218 CB ILE A 17 10.842 0.493 6.094 1.00 4.22 C ATOM 219 CG1 ILE A 17 10.456 0.452 7.574 1.00 55.30 C ATOM 220 CG2 ILE A 17 12.288 0.057 5.907 1.00 51.33 C ATOM 221 CD1 ILE A 17 9.049 -0.049 7.817 1.00 24.33 C ATOM 0 H ILE A 17 8.572 1.679 5.848 1.00 32.22 H new ATOM 0 HA ILE A 17 11.329 2.592 6.008 1.00 51.44 H new ATOM 0 HB ILE A 17 10.200 -0.200 5.551 1.00 4.22 H new ATOM 0 HG12 ILE A 17 11.158 -0.189 8.107 1.00 55.30 H new ATOM 0 HG13 ILE A 17 10.555 1.453 7.995 1.00 55.30 H new ATOM 0 HG21 ILE A 17 12.421 -0.945 6.314 1.00 51.33 H new ATOM 0 HG22 ILE A 17 12.532 0.053 4.845 1.00 51.33 H new ATOM 0 HG23 ILE A 17 12.948 0.751 6.428 1.00 51.33 H new ATOM 0 HD11 ILE A 17 8.843 -0.052 8.887 1.00 24.33 H new ATOM 0 HD12 ILE A 17 8.338 0.605 7.313 1.00 24.33 H new ATOM 0 HD13 ILE A 17 8.951 -1.062 7.426 1.00 24.33 H new ATOM 233 N TYR A 18 9.849 1.667 3.243 1.00 54.11 N ATOM 234 CA TYR A 18 9.971 1.621 1.791 1.00 64.33 C ATOM 235 C TYR A 18 8.989 2.583 1.130 1.00 72.31 C ATOM 236 O TYR A 18 7.781 2.351 1.131 1.00 14.42 O ATOM 237 CB TYR A 18 9.730 0.198 1.283 1.00 55.44 C ATOM 238 CG TYR A 18 10.479 -0.859 2.062 1.00 41.41 C ATOM 239 CD1 TYR A 18 11.814 -0.681 2.405 1.00 34.32 C ATOM 240 CD2 TYR A 18 9.852 -2.034 2.456 1.00 61.54 C ATOM 241 CE1 TYR A 18 12.502 -1.645 3.116 1.00 3.33 C ATOM 242 CE2 TYR A 18 10.533 -3.003 3.168 1.00 14.23 C ATOM 243 CZ TYR A 18 11.858 -2.803 3.496 1.00 75.53 C ATOM 244 OH TYR A 18 12.540 -3.765 4.205 1.00 13.05 O ATOM 0 H TYR A 18 8.902 1.519 3.591 1.00 54.11 H new ATOM 0 HA TYR A 18 10.983 1.927 1.527 1.00 64.33 H new ATOM 0 HB2 TYR A 18 8.663 -0.018 1.327 1.00 55.44 H new ATOM 0 HB3 TYR A 18 10.024 0.141 0.235 1.00 55.44 H new ATOM 0 HD1 TYR A 18 12.322 0.226 2.111 1.00 34.32 H new ATOM 0 HD2 TYR A 18 8.815 -2.193 2.202 1.00 61.54 H new ATOM 0 HE1 TYR A 18 13.540 -1.492 3.373 1.00 3.33 H new ATOM 0 HE2 TYR A 18 10.031 -3.912 3.466 1.00 14.23 H new ATOM 0 HH TYR A 18 11.941 -4.517 4.395 1.00 13.05 H new ATOM 254 N ASN A 19 9.518 3.663 0.565 1.00 0.31 N ATOM 255 CA ASN A 19 8.689 4.662 -0.100 1.00 71.21 C ATOM 256 C ASN A 19 9.072 4.794 -1.571 1.00 0.51 C ATOM 257 O ASN A 19 8.365 5.430 -2.353 1.00 71.00 O ATOM 258 CB ASN A 19 8.826 6.016 0.598 1.00 10.14 C ATOM 259 CG ASN A 19 10.197 6.212 1.216 1.00 31.13 C ATOM 260 OD1 ASN A 19 10.317 6.557 2.392 1.00 34.41 O ATOM 261 ND2 ASN A 19 11.240 5.992 0.424 1.00 53.41 N ATOM 0 H ASN A 19 10.517 3.869 0.554 1.00 0.31 H new ATOM 0 HA ASN A 19 7.651 4.334 -0.041 1.00 71.21 H new ATOM 0 HB2 ASN A 19 8.637 6.813 -0.121 1.00 10.14 H new ATOM 0 HB3 ASN A 19 8.065 6.100 1.374 1.00 10.14 H new ATOM 0 HD21 ASN A 19 12.187 6.108 0.784 1.00 53.41 H new ATOM 0 HD22 ASN A 19 11.094 5.707 -0.545 1.00 53.41 H new ATOM 268 N VAL A 20 10.196 4.190 -1.941 1.00 24.51 N ATOM 269 CA VAL A 20 10.673 4.238 -3.318 1.00 4.22 C ATOM 270 C VAL A 20 10.683 2.849 -3.946 1.00 35.14 C ATOM 271 O VAL A 20 10.427 1.850 -3.273 1.00 33.21 O ATOM 272 CB VAL A 20 12.090 4.836 -3.400 1.00 44.12 C ATOM 273 CG1 VAL A 20 12.082 6.293 -2.964 1.00 14.15 C ATOM 274 CG2 VAL A 20 13.061 4.024 -2.556 1.00 32.20 C ATOM 0 H VAL A 20 10.794 3.661 -1.306 1.00 24.51 H new ATOM 0 HA VAL A 20 9.983 4.877 -3.869 1.00 4.22 H new ATOM 0 HB VAL A 20 12.423 4.794 -4.437 1.00 44.12 H new ATOM 0 HG11 VAL A 20 13.092 6.698 -3.029 1.00 14.15 H new ATOM 0 HG12 VAL A 20 11.420 6.864 -3.615 1.00 14.15 H new ATOM 0 HG13 VAL A 20 11.728 6.363 -1.935 1.00 14.15 H new ATOM 0 HG21 VAL A 20 14.057 4.461 -2.626 1.00 32.20 H new ATOM 0 HG22 VAL A 20 12.734 4.031 -1.516 1.00 32.20 H new ATOM 0 HG23 VAL A 20 13.089 2.997 -2.920 1.00 32.20 H new ATOM 284 N CYS A 21 10.979 2.792 -5.240 1.00 5.44 N ATOM 285 CA CYS A 21 11.023 1.526 -5.960 1.00 74.22 C ATOM 286 C CYS A 21 11.868 1.648 -7.225 1.00 14.10 C ATOM 287 O CYS A 21 11.816 2.660 -7.924 1.00 4.55 O ATOM 288 CB CYS A 21 9.607 1.072 -6.321 1.00 52.13 C ATOM 289 SG CYS A 21 8.578 2.374 -7.073 1.00 13.14 S ATOM 0 H CYS A 21 11.192 3.609 -5.812 1.00 5.44 H new ATOM 0 HA CYS A 21 11.482 0.782 -5.309 1.00 74.22 H new ATOM 0 HB2 CYS A 21 9.671 0.231 -7.011 1.00 52.13 H new ATOM 0 HB3 CYS A 21 9.113 0.708 -5.420 1.00 52.13 H new ATOM 294 N VAL A 22 12.645 0.609 -7.514 1.00 33.15 N ATOM 295 CA VAL A 22 13.500 0.598 -8.694 1.00 51.54 C ATOM 296 C VAL A 22 13.306 -0.680 -9.502 1.00 52.11 C ATOM 297 O VAL A 22 13.198 -1.771 -8.942 1.00 23.14 O ATOM 298 CB VAL A 22 14.986 0.731 -8.312 1.00 61.52 C ATOM 299 CG1 VAL A 22 15.873 0.173 -9.415 1.00 72.21 C ATOM 300 CG2 VAL A 22 15.334 2.182 -8.020 1.00 53.54 C ATOM 0 H VAL A 22 12.700 -0.237 -6.946 1.00 33.15 H new ATOM 0 HA VAL A 22 13.211 1.455 -9.302 1.00 51.54 H new ATOM 0 HB VAL A 22 15.163 0.150 -7.407 1.00 61.52 H new ATOM 0 HG11 VAL A 22 16.919 0.276 -9.127 1.00 72.21 H new ATOM 0 HG12 VAL A 22 15.641 -0.881 -9.570 1.00 72.21 H new ATOM 0 HG13 VAL A 22 15.695 0.724 -10.339 1.00 72.21 H new ATOM 0 HG21 VAL A 22 16.388 2.257 -7.752 1.00 53.54 H new ATOM 0 HG22 VAL A 22 15.141 2.788 -8.905 1.00 53.54 H new ATOM 0 HG23 VAL A 22 14.723 2.543 -7.193 1.00 53.54 H new ATOM 310 N HIS A 23 13.262 -0.538 -10.823 1.00 42.21 N ATOM 311 CA HIS A 23 13.082 -1.682 -11.710 1.00 21.15 C ATOM 312 C HIS A 23 14.228 -1.779 -12.712 1.00 4.33 C ATOM 313 O HIS A 23 14.357 -0.942 -13.606 1.00 15.02 O ATOM 314 CB HIS A 23 11.749 -1.575 -12.451 1.00 20.14 C ATOM 315 CG HIS A 23 11.463 -2.745 -13.341 1.00 20.23 C ATOM 316 ND1 HIS A 23 10.444 -2.752 -14.270 1.00 64.42 N ATOM 317 CD2 HIS A 23 12.070 -3.951 -13.441 1.00 3.31 C ATOM 318 CE1 HIS A 23 10.436 -3.912 -14.902 1.00 64.43 C ATOM 319 NE2 HIS A 23 11.414 -4.658 -14.418 1.00 54.50 N ATOM 0 H HIS A 23 13.349 0.358 -11.303 1.00 42.21 H new ATOM 0 HA HIS A 23 13.079 -2.586 -11.100 1.00 21.15 H new ATOM 0 HB2 HIS A 23 10.944 -1.478 -11.722 1.00 20.14 H new ATOM 0 HB3 HIS A 23 11.748 -0.664 -13.050 1.00 20.14 H new ATOM 0 HD2 HIS A 23 12.914 -4.293 -12.860 1.00 3.31 H new ATOM 0 HE1 HIS A 23 9.747 -4.202 -15.682 1.00 64.43 H new ATOM 0 HE2 HIS A 23 11.644 -5.604 -14.721 1.00 54.50 H new ATOM 327 N TYR A 24 15.059 -2.803 -12.556 1.00 22.33 N ATOM 328 CA TYR A 24 16.197 -3.007 -13.445 1.00 33.21 C ATOM 329 C TYR A 24 15.910 -4.118 -14.450 1.00 70.33 C ATOM 330 O TYR A 24 15.735 -5.279 -14.079 1.00 13.15 O ATOM 331 CB TYR A 24 17.449 -3.347 -12.635 1.00 61.43 C ATOM 332 CG TYR A 24 18.719 -3.351 -13.456 1.00 54.55 C ATOM 333 CD1 TYR A 24 18.972 -4.361 -14.376 1.00 31.10 C ATOM 334 CD2 TYR A 24 19.665 -2.344 -13.312 1.00 43.13 C ATOM 335 CE1 TYR A 24 20.131 -4.369 -15.128 1.00 53.50 C ATOM 336 CE2 TYR A 24 20.826 -2.342 -14.061 1.00 61.42 C ATOM 337 CZ TYR A 24 21.054 -3.357 -14.967 1.00 44.14 C ATOM 338 OH TYR A 24 22.210 -3.360 -15.714 1.00 42.22 O ATOM 0 H TYR A 24 14.966 -3.505 -11.822 1.00 22.33 H new ATOM 0 HA TYR A 24 16.368 -2.081 -13.994 1.00 33.21 H new ATOM 0 HB2 TYR A 24 17.553 -2.627 -11.824 1.00 61.43 H new ATOM 0 HB3 TYR A 24 17.320 -4.327 -12.176 1.00 61.43 H new ATOM 0 HD1 TYR A 24 18.250 -5.154 -14.506 1.00 31.10 H new ATOM 0 HD2 TYR A 24 19.490 -1.549 -12.602 1.00 43.13 H new ATOM 0 HE1 TYR A 24 20.313 -5.163 -15.837 1.00 53.50 H new ATOM 0 HE2 TYR A 24 21.551 -1.551 -13.938 1.00 61.42 H new ATOM 0 HH TYR A 24 22.752 -2.578 -15.481 1.00 42.22 H new ATOM 348 N LYS A 25 15.864 -3.754 -15.727 1.00 63.23 N ATOM 349 CA LYS A 25 15.601 -4.718 -16.789 1.00 61.03 C ATOM 350 C LYS A 25 16.671 -4.638 -17.874 1.00 33.22 C ATOM 351 O LYS A 25 16.802 -3.622 -18.555 1.00 43.44 O ATOM 352 CB LYS A 25 14.220 -4.470 -17.401 1.00 3.04 C ATOM 353 CG LYS A 25 13.633 -5.689 -18.091 1.00 40.32 C ATOM 354 CD LYS A 25 12.736 -5.293 -19.252 1.00 33.50 C ATOM 355 CE LYS A 25 13.536 -5.081 -20.528 1.00 72.50 C ATOM 356 NZ LYS A 25 13.673 -6.340 -21.312 1.00 54.14 N ATOM 0 H LYS A 25 16.006 -2.798 -16.052 1.00 63.23 H new ATOM 0 HA LYS A 25 15.625 -5.717 -16.353 1.00 61.03 H new ATOM 0 HB2 LYS A 25 13.538 -4.143 -16.616 1.00 3.04 H new ATOM 0 HB3 LYS A 25 14.292 -3.655 -18.121 1.00 3.04 H new ATOM 0 HG2 LYS A 25 14.439 -6.327 -18.454 1.00 40.32 H new ATOM 0 HG3 LYS A 25 13.061 -6.276 -17.372 1.00 40.32 H new ATOM 0 HD2 LYS A 25 11.987 -6.068 -19.415 1.00 33.50 H new ATOM 0 HD3 LYS A 25 12.198 -4.378 -19.002 1.00 33.50 H new ATOM 0 HE2 LYS A 25 13.048 -4.323 -21.141 1.00 72.50 H new ATOM 0 HE3 LYS A 25 14.526 -4.700 -20.277 1.00 72.50 H new ATOM 0 HZ1 LYS A 25 14.224 -6.154 -22.174 1.00 54.14 H new ATOM 0 HZ2 LYS A 25 14.161 -7.056 -20.737 1.00 54.14 H new ATOM 0 HZ3 LYS A 25 12.729 -6.690 -21.574 1.00 54.14 H new ATOM 370 N SER A 26 17.431 -5.717 -18.029 1.00 65.01 N ATOM 371 CA SER A 26 18.491 -5.768 -19.030 1.00 1.34 C ATOM 372 C SER A 26 18.437 -7.076 -19.812 1.00 62.31 C ATOM 373 O SER A 26 17.839 -8.054 -19.365 1.00 62.40 O ATOM 374 CB SER A 26 19.859 -5.615 -18.362 1.00 63.33 C ATOM 375 OG SER A 26 20.112 -4.264 -18.020 1.00 40.51 O ATOM 0 H SER A 26 17.333 -6.568 -17.475 1.00 65.01 H new ATOM 0 HA SER A 26 18.340 -4.943 -19.726 1.00 1.34 H new ATOM 0 HB2 SER A 26 19.901 -6.234 -17.466 1.00 63.33 H new ATOM 0 HB3 SER A 26 20.638 -5.975 -19.034 1.00 63.33 H new ATOM 0 HG SER A 26 19.787 -4.090 -17.112 1.00 40.51 H new ATOM 381 N GLU A 27 19.067 -7.085 -20.983 1.00 12.21 N ATOM 382 CA GLU A 27 19.090 -8.273 -21.828 1.00 51.44 C ATOM 383 C GLU A 27 20.051 -9.318 -21.271 1.00 65.43 C ATOM 384 O GLU A 27 20.023 -10.481 -21.675 1.00 42.05 O ATOM 385 CB GLU A 27 19.495 -7.901 -23.257 1.00 35.44 C ATOM 386 CG GLU A 27 18.773 -6.677 -23.795 1.00 23.03 C ATOM 387 CD GLU A 27 18.920 -6.527 -25.296 1.00 51.25 C ATOM 388 OE1 GLU A 27 18.675 -7.515 -26.019 1.00 23.30 O ATOM 389 OE2 GLU A 27 19.279 -5.419 -25.749 1.00 23.50 O ATOM 0 H GLU A 27 19.568 -6.284 -21.367 1.00 12.21 H new ATOM 0 HA GLU A 27 18.087 -8.698 -21.841 1.00 51.44 H new ATOM 0 HB2 GLU A 27 20.570 -7.720 -23.286 1.00 35.44 H new ATOM 0 HB3 GLU A 27 19.296 -8.748 -23.914 1.00 35.44 H new ATOM 0 HG2 GLU A 27 17.715 -6.743 -23.542 1.00 23.03 H new ATOM 0 HG3 GLU A 27 19.163 -5.785 -23.304 1.00 23.03 H new ATOM 396 N ASP A 28 20.902 -8.896 -20.342 1.00 35.21 N ATOM 397 CA ASP A 28 21.872 -9.795 -19.728 1.00 71.21 C ATOM 398 C ASP A 28 21.418 -10.214 -18.333 1.00 43.01 C ATOM 399 O ASP A 28 21.805 -11.271 -17.836 1.00 62.12 O ATOM 400 CB ASP A 28 23.244 -9.124 -19.652 1.00 10.34 C ATOM 401 CG ASP A 28 24.380 -10.098 -19.893 1.00 31.42 C ATOM 402 OD1 ASP A 28 24.785 -10.787 -18.933 1.00 2.03 O ATOM 403 OD2 ASP A 28 24.863 -10.173 -21.042 1.00 31.43 O ATOM 0 H ASP A 28 20.940 -7.937 -19.998 1.00 35.21 H new ATOM 0 HA ASP A 28 21.947 -10.688 -20.349 1.00 71.21 H new ATOM 0 HB2 ASP A 28 23.294 -8.322 -20.389 1.00 10.34 H new ATOM 0 HB3 ASP A 28 23.366 -8.664 -18.672 1.00 10.34 H new ATOM 408 N GLU A 29 20.597 -9.377 -17.707 1.00 50.22 N ATOM 409 CA GLU A 29 20.093 -9.660 -16.369 1.00 31.34 C ATOM 410 C GLU A 29 18.838 -8.843 -16.076 1.00 33.44 C ATOM 411 O GLU A 29 18.524 -7.892 -16.790 1.00 1.34 O ATOM 412 CB GLU A 29 21.167 -9.359 -15.321 1.00 33.32 C ATOM 413 CG GLU A 29 21.437 -7.876 -15.135 1.00 41.33 C ATOM 414 CD GLU A 29 22.687 -7.608 -14.320 1.00 23.11 C ATOM 415 OE1 GLU A 29 23.154 -8.536 -13.626 1.00 53.42 O ATOM 416 OE2 GLU A 29 23.199 -6.470 -14.376 1.00 63.33 O ATOM 0 H GLU A 29 20.267 -8.498 -18.105 1.00 50.22 H new ATOM 0 HA GLU A 29 19.836 -10.718 -16.322 1.00 31.34 H new ATOM 0 HB2 GLU A 29 20.861 -9.786 -14.366 1.00 33.32 H new ATOM 0 HB3 GLU A 29 22.094 -9.855 -15.610 1.00 33.32 H new ATOM 0 HG2 GLU A 29 21.537 -7.403 -16.112 1.00 41.33 H new ATOM 0 HG3 GLU A 29 20.581 -7.414 -14.643 1.00 41.33 H new ATOM 423 N GLU A 30 18.124 -9.224 -15.020 1.00 41.24 N ATOM 424 CA GLU A 30 16.903 -8.528 -14.634 1.00 55.50 C ATOM 425 C GLU A 30 16.596 -8.747 -13.155 1.00 53.14 C ATOM 426 O GLU A 30 16.486 -9.884 -12.695 1.00 53.41 O ATOM 427 CB GLU A 30 15.725 -9.005 -15.487 1.00 23.22 C ATOM 428 CG GLU A 30 14.415 -8.310 -15.159 1.00 14.00 C ATOM 429 CD GLU A 30 13.312 -8.648 -16.144 1.00 25.41 C ATOM 430 OE1 GLU A 30 13.615 -8.796 -17.346 1.00 62.22 O ATOM 431 OE2 GLU A 30 12.147 -8.766 -15.711 1.00 53.54 O ATOM 0 H GLU A 30 18.371 -10.010 -14.418 1.00 41.24 H new ATOM 0 HA GLU A 30 17.055 -7.462 -14.802 1.00 55.50 H new ATOM 0 HB2 GLU A 30 15.960 -8.842 -16.539 1.00 23.22 H new ATOM 0 HB3 GLU A 30 15.600 -10.079 -15.351 1.00 23.22 H new ATOM 0 HG2 GLU A 30 14.099 -8.593 -14.155 1.00 14.00 H new ATOM 0 HG3 GLU A 30 14.572 -7.231 -15.152 1.00 14.00 H new ATOM 438 N TYR A 31 16.460 -7.651 -12.417 1.00 35.32 N ATOM 439 CA TYR A 31 16.169 -7.723 -10.990 1.00 14.21 C ATOM 440 C TYR A 31 15.510 -6.435 -10.503 1.00 25.41 C ATOM 441 O TYR A 31 15.572 -5.402 -11.169 1.00 5.45 O ATOM 442 CB TYR A 31 17.452 -7.984 -10.199 1.00 15.31 C ATOM 443 CG TYR A 31 18.490 -6.896 -10.354 1.00 2.12 C ATOM 444 CD1 TYR A 31 18.372 -5.692 -9.670 1.00 31.43 C ATOM 445 CD2 TYR A 31 19.591 -7.072 -11.184 1.00 34.22 C ATOM 446 CE1 TYR A 31 19.318 -4.696 -9.809 1.00 41.30 C ATOM 447 CE2 TYR A 31 20.543 -6.081 -11.328 1.00 35.50 C ATOM 448 CZ TYR A 31 20.402 -4.895 -10.639 1.00 14.10 C ATOM 449 OH TYR A 31 21.347 -3.905 -10.779 1.00 41.03 O ATOM 0 H TYR A 31 16.547 -6.703 -12.783 1.00 35.32 H new ATOM 0 HA TYR A 31 15.476 -8.548 -10.827 1.00 14.21 H new ATOM 0 HB2 TYR A 31 17.203 -8.089 -9.143 1.00 15.31 H new ATOM 0 HB3 TYR A 31 17.881 -8.933 -10.521 1.00 15.31 H new ATOM 0 HD1 TYR A 31 17.526 -5.533 -9.018 1.00 31.43 H new ATOM 0 HD2 TYR A 31 19.704 -7.999 -11.726 1.00 34.22 H new ATOM 0 HE1 TYR A 31 19.210 -3.766 -9.271 1.00 41.30 H new ATOM 0 HE2 TYR A 31 21.393 -6.234 -11.977 1.00 35.50 H new ATOM 0 HH TYR A 31 21.074 -3.291 -11.493 1.00 41.03 H new ATOM 459 N LYS A 32 14.880 -6.506 -9.335 1.00 70.14 N ATOM 460 CA LYS A 32 14.211 -5.348 -8.755 1.00 51.23 C ATOM 461 C LYS A 32 14.446 -5.281 -7.250 1.00 22.13 C ATOM 462 O LYS A 32 14.321 -6.284 -6.547 1.00 74.12 O ATOM 463 CB LYS A 32 12.709 -5.402 -9.046 1.00 3.14 C ATOM 464 CG LYS A 32 12.372 -5.316 -10.524 1.00 62.41 C ATOM 465 CD LYS A 32 11.196 -6.210 -10.880 1.00 51.14 C ATOM 466 CE LYS A 32 11.482 -7.039 -12.123 1.00 21.10 C ATOM 467 NZ LYS A 32 12.057 -8.370 -11.782 1.00 1.45 N ATOM 0 H LYS A 32 14.819 -7.354 -8.771 1.00 70.14 H new ATOM 0 HA LYS A 32 14.631 -4.451 -9.210 1.00 51.23 H new ATOM 0 HB2 LYS A 32 12.303 -6.330 -8.643 1.00 3.14 H new ATOM 0 HB3 LYS A 32 12.216 -4.583 -8.521 1.00 3.14 H new ATOM 0 HG2 LYS A 32 12.138 -4.284 -10.785 1.00 62.41 H new ATOM 0 HG3 LYS A 32 13.242 -5.605 -11.114 1.00 62.41 H new ATOM 0 HD2 LYS A 32 10.974 -6.872 -10.043 1.00 51.14 H new ATOM 0 HD3 LYS A 32 10.309 -5.598 -11.046 1.00 51.14 H new ATOM 0 HE2 LYS A 32 10.560 -7.176 -12.688 1.00 21.10 H new ATOM 0 HE3 LYS A 32 12.175 -6.499 -12.768 1.00 21.10 H new ATOM 0 HZ1 LYS A 32 11.837 -9.048 -12.540 1.00 1.45 H new ATOM 0 HZ2 LYS A 32 13.089 -8.287 -11.681 1.00 1.45 H new ATOM 0 HZ3 LYS A 32 11.647 -8.706 -10.887 1.00 1.45 H new ATOM 481 N SER A 33 14.787 -4.093 -6.761 1.00 13.05 N ATOM 482 CA SER A 33 15.042 -3.896 -5.338 1.00 74.43 C ATOM 483 C SER A 33 15.105 -2.410 -4.998 1.00 34.50 C ATOM 484 O SER A 33 15.586 -1.600 -5.790 1.00 51.22 O ATOM 485 CB SER A 33 16.349 -4.580 -4.934 1.00 3.43 C ATOM 486 OG SER A 33 16.143 -5.955 -4.660 1.00 51.34 O ATOM 0 H SER A 33 14.893 -3.252 -7.329 1.00 13.05 H new ATOM 0 HA SER A 33 14.219 -4.343 -4.781 1.00 74.43 H new ATOM 0 HB2 SER A 33 17.082 -4.471 -5.734 1.00 3.43 H new ATOM 0 HB3 SER A 33 16.763 -4.089 -4.053 1.00 3.43 H new ATOM 0 HG SER A 33 15.316 -6.255 -5.093 1.00 51.34 H new ATOM 492 N CYS A 34 14.615 -2.060 -3.814 1.00 35.04 N ATOM 493 CA CYS A 34 14.613 -0.673 -3.366 1.00 44.51 C ATOM 494 C CYS A 34 13.980 -0.547 -1.984 1.00 32.45 C ATOM 495 O CYS A 34 13.727 -1.547 -1.312 1.00 40.21 O ATOM 496 CB CYS A 34 13.860 0.207 -4.366 1.00 1.11 C ATOM 497 SG CYS A 34 14.691 1.784 -4.743 1.00 64.51 S ATOM 0 H CYS A 34 14.214 -2.719 -3.147 1.00 35.04 H new ATOM 0 HA CYS A 34 15.648 -0.337 -3.303 1.00 44.51 H new ATOM 0 HB2 CYS A 34 13.724 -0.350 -5.293 1.00 1.11 H new ATOM 0 HB3 CYS A 34 12.866 0.418 -3.972 1.00 1.11 H new ATOM 0 HG CYS A 34 15.890 1.773 -4.241 1.00 64.51 H new ATOM 502 N GLY A 35 13.725 0.689 -1.565 1.00 24.33 N ATOM 503 CA GLY A 35 13.124 0.922 -0.265 1.00 14.40 C ATOM 504 C GLY A 35 13.147 2.386 0.130 1.00 22.42 C ATOM 505 O GLY A 35 12.143 3.086 0.002 1.00 13.10 O ATOM 0 H GLY A 35 13.924 1.533 -2.103 1.00 24.33 H new ATOM 0 HA2 GLY A 35 12.093 0.568 -0.276 1.00 14.40 H new ATOM 0 HA3 GLY A 35 13.654 0.337 0.487 1.00 14.40 H new ATOM 509 N ILE A 36 14.295 2.848 0.613 1.00 25.12 N ATOM 510 CA ILE A 36 14.445 4.237 1.029 1.00 72.01 C ATOM 511 C ILE A 36 15.224 5.040 -0.007 1.00 23.01 C ATOM 512 O ILE A 36 16.278 4.609 -0.475 1.00 53.32 O ATOM 513 CB ILE A 36 15.159 4.344 2.389 1.00 65.11 C ATOM 514 CG1 ILE A 36 16.392 3.438 2.414 1.00 4.24 C ATOM 515 CG2 ILE A 36 14.206 3.982 3.518 1.00 3.01 C ATOM 516 CD1 ILE A 36 17.217 3.575 3.675 1.00 34.23 C ATOM 0 H ILE A 36 15.135 2.281 0.726 1.00 25.12 H new ATOM 0 HA ILE A 36 13.440 4.648 1.123 1.00 72.01 H new ATOM 0 HB ILE A 36 15.485 5.374 2.532 1.00 65.11 H new ATOM 0 HG12 ILE A 36 16.073 2.401 2.309 1.00 4.24 H new ATOM 0 HG13 ILE A 36 17.019 3.667 1.552 1.00 4.24 H new ATOM 0 HG21 ILE A 36 14.726 4.062 4.473 1.00 3.01 H new ATOM 0 HG22 ILE A 36 13.356 4.664 3.509 1.00 3.01 H new ATOM 0 HG23 ILE A 36 13.853 2.960 3.382 1.00 3.01 H new ATOM 0 HD11 ILE A 36 18.074 2.904 3.624 1.00 34.23 H new ATOM 0 HD12 ILE A 36 17.566 4.603 3.771 1.00 34.23 H new ATOM 0 HD13 ILE A 36 16.606 3.317 4.540 1.00 34.23 H new ATOM 528 N GLN A 37 14.700 6.209 -0.358 1.00 54.52 N ATOM 529 CA GLN A 37 15.347 7.073 -1.338 1.00 5.40 C ATOM 530 C GLN A 37 16.818 7.282 -0.992 1.00 0.13 C ATOM 531 O GLN A 37 17.653 7.464 -1.877 1.00 4.14 O ATOM 532 CB GLN A 37 14.632 8.423 -1.411 1.00 51.41 C ATOM 533 CG GLN A 37 15.173 9.341 -2.496 1.00 75.52 C ATOM 534 CD GLN A 37 14.244 9.442 -3.690 1.00 41.33 C ATOM 535 OE1 GLN A 37 13.804 10.532 -4.058 1.00 42.02 O ATOM 536 NE2 GLN A 37 13.941 8.304 -4.303 1.00 54.23 N ATOM 0 H GLN A 37 13.829 6.580 0.022 1.00 54.52 H new ATOM 0 HA GLN A 37 15.286 6.585 -2.311 1.00 5.40 H new ATOM 0 HB2 GLN A 37 13.570 8.253 -1.587 1.00 51.41 H new ATOM 0 HB3 GLN A 37 14.719 8.923 -0.447 1.00 51.41 H new ATOM 0 HG2 GLN A 37 15.333 10.335 -2.079 1.00 75.52 H new ATOM 0 HG3 GLN A 37 16.145 8.974 -2.826 1.00 75.52 H new ATOM 0 HE21 GLN A 37 14.328 7.423 -3.964 1.00 54.23 H new ATOM 0 HE22 GLN A 37 13.321 8.310 -5.113 1.00 54.23 H new ATOM 545 N GLU A 38 17.126 7.255 0.301 1.00 22.32 N ATOM 546 CA GLU A 38 18.496 7.442 0.763 1.00 4.43 C ATOM 547 C GLU A 38 19.410 6.350 0.215 1.00 31.22 C ATOM 548 O GLU A 38 20.553 6.612 -0.158 1.00 53.10 O ATOM 549 CB GLU A 38 18.547 7.445 2.293 1.00 74.34 C ATOM 550 CG GLU A 38 17.957 8.697 2.919 1.00 4.31 C ATOM 551 CD GLU A 38 18.769 9.941 2.611 1.00 31.31 C ATOM 552 OE1 GLU A 38 19.839 10.118 3.230 1.00 1.22 O ATOM 553 OE2 GLU A 38 18.334 10.736 1.752 1.00 23.21 O ATOM 0 H GLU A 38 16.446 7.106 1.046 1.00 22.32 H new ATOM 0 HA GLU A 38 18.848 8.405 0.393 1.00 4.43 H new ATOM 0 HB2 GLU A 38 18.010 6.574 2.668 1.00 74.34 H new ATOM 0 HB3 GLU A 38 19.584 7.342 2.614 1.00 74.34 H new ATOM 0 HG2 GLU A 38 16.938 8.834 2.557 1.00 4.31 H new ATOM 0 HG3 GLU A 38 17.897 8.565 3.999 1.00 4.31 H new ATOM 560 N GLU A 39 18.897 5.124 0.171 1.00 55.30 N ATOM 561 CA GLU A 39 19.667 3.992 -0.330 1.00 34.10 C ATOM 562 C GLU A 39 19.552 3.885 -1.848 1.00 4.11 C ATOM 563 O GLU A 39 20.542 3.646 -2.541 1.00 74.21 O ATOM 564 CB GLU A 39 19.187 2.693 0.321 1.00 23.21 C ATOM 565 CG GLU A 39 19.584 2.562 1.782 1.00 20.30 C ATOM 566 CD GLU A 39 21.007 2.068 1.958 1.00 31.21 C ATOM 567 OE1 GLU A 39 21.389 1.103 1.264 1.00 63.42 O ATOM 568 OE2 GLU A 39 21.737 2.646 2.790 1.00 64.34 O ATOM 0 H GLU A 39 17.952 4.890 0.476 1.00 55.30 H new ATOM 0 HA GLU A 39 20.714 4.155 -0.073 1.00 34.10 H new ATOM 0 HB2 GLU A 39 18.101 2.636 0.242 1.00 23.21 H new ATOM 0 HB3 GLU A 39 19.592 1.847 -0.234 1.00 23.21 H new ATOM 0 HG2 GLU A 39 19.476 3.530 2.272 1.00 20.30 H new ATOM 0 HG3 GLU A 39 18.900 1.874 2.280 1.00 20.30 H new ATOM 575 N CYS A 40 18.338 4.064 -2.358 1.00 24.20 N ATOM 576 CA CYS A 40 18.092 3.987 -3.793 1.00 24.01 C ATOM 577 C CYS A 40 18.893 5.050 -4.540 1.00 24.43 C ATOM 578 O CYS A 40 19.457 4.784 -5.601 1.00 33.10 O ATOM 579 CB CYS A 40 16.600 4.158 -4.086 1.00 24.15 C ATOM 580 SG CYS A 40 15.782 2.645 -4.686 1.00 24.11 S ATOM 0 H CYS A 40 17.509 4.263 -1.798 1.00 24.20 H new ATOM 0 HA CYS A 40 18.413 3.005 -4.139 1.00 24.01 H new ATOM 0 HB2 CYS A 40 16.099 4.494 -3.178 1.00 24.15 H new ATOM 0 HB3 CYS A 40 16.475 4.945 -4.829 1.00 24.15 H new ATOM 0 HG CYS A 40 14.666 2.471 -4.043 1.00 24.11 H new ATOM 585 N GLU A 41 18.939 6.253 -3.977 1.00 10.03 N ATOM 586 CA GLU A 41 19.670 7.355 -4.590 1.00 5.31 C ATOM 587 C GLU A 41 21.153 7.019 -4.721 1.00 21.55 C ATOM 588 O GLU A 41 21.851 7.561 -5.578 1.00 33.12 O ATOM 589 CB GLU A 41 19.497 8.633 -3.766 1.00 21.23 C ATOM 590 CG GLU A 41 20.130 9.859 -4.403 1.00 21.45 C ATOM 591 CD GLU A 41 21.565 10.071 -3.960 1.00 13.15 C ATOM 592 OE1 GLU A 41 21.825 9.999 -2.740 1.00 62.32 O ATOM 593 OE2 GLU A 41 22.426 10.310 -4.831 1.00 62.12 O ATOM 0 H GLU A 41 18.479 6.489 -3.098 1.00 10.03 H new ATOM 0 HA GLU A 41 19.262 7.516 -5.588 1.00 5.31 H new ATOM 0 HB2 GLU A 41 18.433 8.819 -3.619 1.00 21.23 H new ATOM 0 HB3 GLU A 41 19.934 8.481 -2.779 1.00 21.23 H new ATOM 0 HG2 GLU A 41 20.100 9.757 -5.488 1.00 21.45 H new ATOM 0 HG3 GLU A 41 19.541 10.741 -4.149 1.00 21.45 H new ATOM 600 N ASP A 42 21.627 6.121 -3.864 1.00 63.40 N ATOM 601 CA ASP A 42 23.027 5.710 -3.883 1.00 15.31 C ATOM 602 C ASP A 42 23.427 5.209 -5.267 1.00 21.32 C ATOM 603 O ASP A 42 24.597 5.267 -5.644 1.00 71.13 O ATOM 604 CB ASP A 42 23.274 4.619 -2.840 1.00 4.41 C ATOM 605 CG ASP A 42 24.706 4.611 -2.340 1.00 73.43 C ATOM 606 OD1 ASP A 42 25.236 5.701 -2.042 1.00 22.21 O ATOM 607 OD2 ASP A 42 25.296 3.514 -2.248 1.00 72.45 O ATOM 0 H ASP A 42 21.063 5.664 -3.148 1.00 63.40 H new ATOM 0 HA ASP A 42 23.639 6.579 -3.640 1.00 15.31 H new ATOM 0 HB2 ASP A 42 22.599 4.766 -1.997 1.00 4.41 H new ATOM 0 HB3 ASP A 42 23.037 3.647 -3.272 1.00 4.41 H new ATOM 612 N ALA A 43 22.448 4.715 -6.018 1.00 1.21 N ATOM 613 CA ALA A 43 22.698 4.204 -7.360 1.00 3.21 C ATOM 614 C ALA A 43 23.062 5.333 -8.318 1.00 50.23 C ATOM 615 O ALA A 43 22.201 5.870 -9.014 1.00 73.44 O ATOM 616 CB ALA A 43 21.482 3.446 -7.871 1.00 41.34 C ATOM 0 H ALA A 43 21.474 4.658 -5.720 1.00 1.21 H new ATOM 0 HA ALA A 43 23.544 3.519 -7.310 1.00 3.21 H new ATOM 0 HB1 ALA A 43 21.683 3.070 -8.874 1.00 41.34 H new ATOM 0 HB2 ALA A 43 21.269 2.609 -7.206 1.00 41.34 H new ATOM 0 HB3 ALA A 43 20.622 4.115 -7.900 1.00 41.34 H new ATOM 622 N GLU A 44 24.343 5.689 -8.348 1.00 35.04 N ATOM 623 CA GLU A 44 24.818 6.756 -9.220 1.00 64.02 C ATOM 624 C GLU A 44 24.794 6.316 -10.681 1.00 61.41 C ATOM 625 O GLU A 44 25.237 5.218 -11.017 1.00 43.45 O ATOM 626 CB GLU A 44 26.237 7.174 -8.825 1.00 75.55 C ATOM 627 CG GLU A 44 26.278 8.257 -7.761 1.00 51.34 C ATOM 628 CD GLU A 44 27.512 8.167 -6.884 1.00 74.03 C ATOM 629 OE1 GLU A 44 28.491 7.515 -7.302 1.00 72.41 O ATOM 630 OE2 GLU A 44 27.497 8.749 -5.780 1.00 2.45 O ATOM 0 H GLU A 44 25.069 5.254 -7.779 1.00 35.04 H new ATOM 0 HA GLU A 44 24.150 7.609 -9.104 1.00 64.02 H new ATOM 0 HB2 GLU A 44 26.777 6.299 -8.462 1.00 75.55 H new ATOM 0 HB3 GLU A 44 26.763 7.528 -9.712 1.00 75.55 H new ATOM 0 HG2 GLU A 44 26.249 9.235 -8.242 1.00 51.34 H new ATOM 0 HG3 GLU A 44 25.387 8.182 -7.137 1.00 51.34 H new ATOM 637 N GLY A 45 24.272 7.181 -11.545 1.00 71.34 N ATOM 638 CA GLY A 45 24.198 6.864 -12.960 1.00 24.54 C ATOM 639 C GLY A 45 22.806 7.060 -13.526 1.00 62.02 C ATOM 640 O GLY A 45 22.624 7.783 -14.505 1.00 74.23 O ATOM 0 H GLY A 45 23.899 8.096 -11.291 1.00 71.34 H new ATOM 0 HA2 GLY A 45 24.901 7.492 -13.507 1.00 24.54 H new ATOM 0 HA3 GLY A 45 24.507 5.830 -13.114 1.00 24.54 H new ATOM 644 N ALA A 46 21.822 6.414 -12.910 1.00 73.33 N ATOM 645 CA ALA A 46 20.439 6.521 -13.359 1.00 41.20 C ATOM 646 C ALA A 46 19.551 7.103 -12.265 1.00 15.20 C ATOM 647 O ALA A 46 19.786 6.884 -11.076 1.00 63.13 O ATOM 648 CB ALA A 46 19.919 5.160 -13.796 1.00 33.21 C ATOM 0 H ALA A 46 21.957 5.811 -12.098 1.00 73.33 H new ATOM 0 HA ALA A 46 20.411 7.199 -14.212 1.00 41.20 H new ATOM 0 HB1 ALA A 46 18.885 5.255 -14.129 1.00 33.21 H new ATOM 0 HB2 ALA A 46 20.531 4.783 -14.616 1.00 33.21 H new ATOM 0 HB3 ALA A 46 19.968 4.465 -12.957 1.00 33.21 H new ATOM 654 N THR A 47 18.527 7.847 -12.673 1.00 43.43 N ATOM 655 CA THR A 47 17.604 8.463 -11.728 1.00 24.31 C ATOM 656 C THR A 47 16.580 7.453 -11.223 1.00 25.24 C ATOM 657 O THR A 47 16.099 6.610 -11.980 1.00 22.33 O ATOM 658 CB THR A 47 16.863 9.655 -12.362 1.00 2.15 C ATOM 659 OG1 THR A 47 16.130 10.365 -11.358 1.00 14.44 O ATOM 660 CG2 THR A 47 15.914 9.184 -13.453 1.00 14.04 C ATOM 0 H THR A 47 18.316 8.037 -13.653 1.00 43.43 H new ATOM 0 HA THR A 47 18.202 8.821 -10.890 1.00 24.31 H new ATOM 0 HB THR A 47 17.603 10.319 -12.809 1.00 2.15 H new ATOM 0 HG1 THR A 47 15.663 11.123 -11.768 1.00 14.44 H new ATOM 0 HG21 THR A 47 15.402 10.043 -13.886 1.00 14.04 H new ATOM 0 HG22 THR A 47 16.479 8.669 -14.230 1.00 14.04 H new ATOM 0 HG23 THR A 47 15.179 8.501 -13.026 1.00 14.04 H new ATOM 668 N VAL A 48 16.250 7.544 -9.938 1.00 64.22 N ATOM 669 CA VAL A 48 15.281 6.639 -9.332 1.00 24.31 C ATOM 670 C VAL A 48 13.930 7.321 -9.151 1.00 2.20 C ATOM 671 O VAL A 48 13.816 8.318 -8.436 1.00 23.42 O ATOM 672 CB VAL A 48 15.772 6.125 -7.965 1.00 72.02 C ATOM 673 CG1 VAL A 48 14.716 5.243 -7.316 1.00 65.52 C ATOM 674 CG2 VAL A 48 17.086 5.374 -8.119 1.00 74.20 C ATOM 0 H VAL A 48 16.640 8.235 -9.297 1.00 64.22 H new ATOM 0 HA VAL A 48 15.169 5.794 -10.011 1.00 24.31 H new ATOM 0 HB VAL A 48 15.945 6.982 -7.314 1.00 72.02 H new ATOM 0 HG11 VAL A 48 15.080 4.889 -6.352 1.00 65.52 H new ATOM 0 HG12 VAL A 48 13.802 5.818 -7.170 1.00 65.52 H new ATOM 0 HG13 VAL A 48 14.509 4.389 -7.961 1.00 65.52 H new ATOM 0 HG21 VAL A 48 17.418 5.018 -7.144 1.00 74.20 H new ATOM 0 HG22 VAL A 48 16.943 4.524 -8.786 1.00 74.20 H new ATOM 0 HG23 VAL A 48 17.840 6.041 -8.538 1.00 74.20 H new ATOM 684 N LEU A 49 12.908 6.779 -9.803 1.00 32.31 N ATOM 685 CA LEU A 49 11.562 7.335 -9.714 1.00 70.20 C ATOM 686 C LEU A 49 10.551 6.256 -9.339 1.00 52.21 C ATOM 687 O LEU A 49 10.572 5.153 -9.886 1.00 1.02 O ATOM 688 CB LEU A 49 11.167 7.980 -11.043 1.00 52.53 C ATOM 689 CG LEU A 49 10.158 9.127 -10.959 1.00 63.31 C ATOM 690 CD1 LEU A 49 10.877 10.463 -10.848 1.00 74.41 C ATOM 691 CD2 LEU A 49 9.235 9.114 -12.169 1.00 11.55 C ATOM 0 H LEU A 49 12.985 5.955 -10.399 1.00 32.31 H new ATOM 0 HA LEU A 49 11.560 8.096 -8.933 1.00 70.20 H new ATOM 0 HB2 LEU A 49 12.070 8.352 -11.526 1.00 52.53 H new ATOM 0 HB3 LEU A 49 10.755 7.207 -11.691 1.00 52.53 H new ATOM 0 HG LEU A 49 9.552 8.989 -10.063 1.00 63.31 H new ATOM 0 HD11 LEU A 49 10.144 11.267 -10.789 1.00 74.41 H new ATOM 0 HD12 LEU A 49 11.496 10.470 -9.951 1.00 74.41 H new ATOM 0 HD13 LEU A 49 11.508 10.611 -11.725 1.00 74.41 H new ATOM 0 HD21 LEU A 49 8.524 9.936 -12.093 1.00 11.55 H new ATOM 0 HD22 LEU A 49 9.825 9.228 -13.078 1.00 11.55 H new ATOM 0 HD23 LEU A 49 8.694 8.168 -12.204 1.00 11.55 H new ATOM 703 N CYS A 50 9.664 6.583 -8.405 1.00 23.35 N ATOM 704 CA CYS A 50 8.643 5.643 -7.957 1.00 1.40 C ATOM 705 C CYS A 50 7.246 6.223 -8.157 1.00 12.34 C ATOM 706 O CYS A 50 7.047 7.436 -8.074 1.00 31.35 O ATOM 707 CB CYS A 50 8.855 5.291 -6.483 1.00 43.04 C ATOM 708 SG CYS A 50 8.002 3.772 -5.952 1.00 31.21 S ATOM 0 H CYS A 50 9.632 7.492 -7.944 1.00 23.35 H new ATOM 0 HA CYS A 50 8.731 4.736 -8.556 1.00 1.40 H new ATOM 0 HB2 CYS A 50 9.923 5.179 -6.297 1.00 43.04 H new ATOM 0 HB3 CYS A 50 8.510 6.123 -5.869 1.00 43.04 H new ATOM 713 N CYS A 51 6.281 5.349 -8.420 1.00 74.10 N ATOM 714 CA CYS A 51 4.902 5.772 -8.632 1.00 34.02 C ATOM 715 C CYS A 51 4.067 5.557 -7.373 1.00 20.34 C ATOM 716 O CYS A 51 4.332 4.664 -6.567 1.00 70.12 O ATOM 717 CB CYS A 51 4.285 5.005 -9.803 1.00 71.30 C ATOM 718 SG CYS A 51 5.475 4.556 -11.107 1.00 40.12 S ATOM 0 H CYS A 51 6.429 4.342 -8.492 1.00 74.10 H new ATOM 0 HA CYS A 51 4.907 6.837 -8.866 1.00 34.02 H new ATOM 0 HB2 CYS A 51 3.819 4.096 -9.423 1.00 71.30 H new ATOM 0 HB3 CYS A 51 3.492 5.610 -10.242 1.00 71.30 H new ATOM 723 N PRO A 52 3.034 6.394 -7.197 1.00 74.35 N ATOM 724 CA PRO A 52 2.139 6.315 -6.039 1.00 75.23 C ATOM 725 C PRO A 52 1.254 5.073 -6.074 1.00 12.31 C ATOM 726 O PRO A 52 0.554 4.773 -5.108 1.00 33.53 O ATOM 727 CB PRO A 52 1.288 7.581 -6.162 1.00 14.33 C ATOM 728 CG PRO A 52 1.310 7.914 -7.614 1.00 33.42 C ATOM 729 CD PRO A 52 2.659 7.481 -8.117 1.00 41.11 C ATOM 0 HA PRO A 52 2.691 6.245 -5.101 1.00 75.23 H new ATOM 0 HB2 PRO A 52 0.270 7.409 -5.811 1.00 14.33 H new ATOM 0 HB3 PRO A 52 1.699 8.394 -5.563 1.00 14.33 H new ATOM 0 HG2 PRO A 52 0.511 7.397 -8.145 1.00 33.42 H new ATOM 0 HG3 PRO A 52 1.159 8.982 -7.772 1.00 33.42 H new ATOM 0 HD2 PRO A 52 2.611 7.135 -9.149 1.00 41.11 H new ATOM 0 HD3 PRO A 52 3.380 8.298 -8.088 1.00 41.11 H new ATOM 737 N GLU A 53 1.291 4.356 -7.193 1.00 4.33 N ATOM 738 CA GLU A 53 0.492 3.147 -7.352 1.00 11.24 C ATOM 739 C GLU A 53 1.226 1.932 -6.792 1.00 13.25 C ATOM 740 O GLU A 53 2.329 2.051 -6.258 1.00 12.41 O ATOM 741 CB GLU A 53 0.159 2.920 -8.828 1.00 34.24 C ATOM 742 CG GLU A 53 1.322 2.374 -9.637 1.00 65.52 C ATOM 743 CD GLU A 53 0.966 2.150 -11.094 1.00 52.20 C ATOM 744 OE1 GLU A 53 0.150 1.248 -11.374 1.00 72.40 O ATOM 745 OE2 GLU A 53 1.503 2.879 -11.954 1.00 43.12 O ATOM 0 H GLU A 53 1.866 4.592 -8.002 1.00 4.33 H new ATOM 0 HA GLU A 53 -0.435 3.279 -6.794 1.00 11.24 H new ATOM 0 HB2 GLU A 53 -0.680 2.227 -8.900 1.00 34.24 H new ATOM 0 HB3 GLU A 53 -0.167 3.863 -9.267 1.00 34.24 H new ATOM 0 HG2 GLU A 53 2.160 3.068 -9.574 1.00 65.52 H new ATOM 0 HG3 GLU A 53 1.654 1.433 -9.199 1.00 65.52 H new ATOM 752 N ASP A 54 0.605 0.764 -6.917 1.00 2.33 N ATOM 753 CA ASP A 54 1.198 -0.473 -6.424 1.00 24.40 C ATOM 754 C ASP A 54 1.857 -1.250 -7.560 1.00 5.13 C ATOM 755 O ASP A 54 1.335 -1.304 -8.674 1.00 22.10 O ATOM 756 CB ASP A 54 0.135 -1.340 -5.747 1.00 50.42 C ATOM 757 CG ASP A 54 -1.166 -1.371 -6.524 1.00 74.43 C ATOM 758 OD1 ASP A 54 -1.186 -1.960 -7.626 1.00 21.23 O ATOM 759 OD2 ASP A 54 -2.166 -0.808 -6.031 1.00 25.33 O ATOM 0 H ASP A 54 -0.309 0.648 -7.355 1.00 2.33 H new ATOM 0 HA ASP A 54 1.963 -0.213 -5.693 1.00 24.40 H new ATOM 0 HB2 ASP A 54 0.514 -2.356 -5.638 1.00 50.42 H new ATOM 0 HB3 ASP A 54 -0.054 -0.961 -4.743 1.00 50.42 H new ATOM 764 N LEU A 55 3.007 -1.849 -7.271 1.00 5.34 N ATOM 765 CA LEU A 55 3.739 -2.622 -8.268 1.00 4.11 C ATOM 766 C LEU A 55 3.998 -1.790 -9.520 1.00 2.33 C ATOM 767 O LEU A 55 3.523 -2.119 -10.607 1.00 33.43 O ATOM 768 CB LEU A 55 2.960 -3.886 -8.634 1.00 62.32 C ATOM 769 CG LEU A 55 2.567 -4.794 -7.468 1.00 42.02 C ATOM 770 CD1 LEU A 55 1.654 -5.912 -7.946 1.00 54.23 C ATOM 771 CD2 LEU A 55 3.807 -5.366 -6.797 1.00 30.44 C ATOM 0 H LEU A 55 3.453 -1.814 -6.354 1.00 5.34 H new ATOM 0 HA LEU A 55 4.700 -2.906 -7.838 1.00 4.11 H new ATOM 0 HB2 LEU A 55 2.052 -3.590 -9.159 1.00 62.32 H new ATOM 0 HB3 LEU A 55 3.559 -4.467 -9.335 1.00 62.32 H new ATOM 0 HG LEU A 55 2.024 -4.198 -6.735 1.00 42.02 H new ATOM 0 HD11 LEU A 55 1.385 -6.548 -7.102 1.00 54.23 H new ATOM 0 HD12 LEU A 55 0.751 -5.484 -8.380 1.00 54.23 H new ATOM 0 HD13 LEU A 55 2.171 -6.507 -8.699 1.00 54.23 H new ATOM 0 HD21 LEU A 55 3.509 -6.010 -5.969 1.00 30.44 H new ATOM 0 HD22 LEU A 55 4.377 -5.947 -7.522 1.00 30.44 H new ATOM 0 HD23 LEU A 55 4.424 -4.551 -6.419 1.00 30.44 H new ATOM 783 N CYS A 56 4.757 -0.710 -9.360 1.00 74.30 N ATOM 784 CA CYS A 56 5.081 0.169 -10.477 1.00 20.13 C ATOM 785 C CYS A 56 6.480 -0.123 -11.010 1.00 64.45 C ATOM 786 O CYS A 56 6.809 0.225 -12.144 1.00 34.52 O ATOM 787 CB CYS A 56 4.984 1.633 -10.045 1.00 13.52 C ATOM 788 SG CYS A 56 5.378 2.826 -11.365 1.00 23.45 S ATOM 0 H CYS A 56 5.159 -0.423 -8.467 1.00 74.30 H new ATOM 0 HA CYS A 56 4.361 -0.017 -11.274 1.00 20.13 H new ATOM 0 HB2 CYS A 56 3.974 1.828 -9.683 1.00 13.52 H new ATOM 0 HB3 CYS A 56 5.660 1.799 -9.206 1.00 13.52 H new ATOM 793 N ASN A 57 7.300 -0.766 -10.185 1.00 4.52 N ATOM 794 CA ASN A 57 8.665 -1.105 -10.573 1.00 54.22 C ATOM 795 C ASN A 57 8.763 -2.569 -10.992 1.00 11.41 C ATOM 796 O ASN A 57 9.779 -3.223 -10.760 1.00 71.44 O ATOM 797 CB ASN A 57 9.630 -0.827 -9.419 1.00 33.01 C ATOM 798 CG ASN A 57 9.537 -1.872 -8.324 1.00 2.03 C ATOM 799 OD1 ASN A 57 8.447 -2.207 -7.861 1.00 32.31 O ATOM 800 ND2 ASN A 57 10.685 -2.392 -7.904 1.00 13.23 N ATOM 0 H ASN A 57 7.043 -1.063 -9.244 1.00 4.52 H new ATOM 0 HA ASN A 57 8.940 -0.482 -11.424 1.00 54.22 H new ATOM 0 HB2 ASN A 57 10.650 -0.795 -9.802 1.00 33.01 H new ATOM 0 HB3 ASN A 57 9.416 0.156 -8.999 1.00 33.01 H new ATOM 0 HD21 ASN A 57 10.686 -3.099 -7.169 1.00 13.23 H new ATOM 0 HD22 ASN A 57 11.566 -2.084 -8.317 1.00 13.23 H new TER 807 ASN A 57