USER MOD reduce.3.24.130724 H: found=0, std=0, add=381, rem=0, adj=14 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 -28:sc= -25.6! USER MOD Set 1.2: A 40 CYS SG : rot 159:sc= -28.6! 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= 1.23 USER MOD Single : A 1 LEU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= -0.913 X(o=-0.91,f=-1.1) USER MOD Single : A 4 ASN :FLIP amide:sc= 0 F(o=-0.52,f=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.503 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= -0.71 K(o=-0.71,f=-1.3) USER MOD Single : A 23 HIS : no HD1:sc= -1.99 X(o=-2,f=-1.5) USER MOD Single : A 25 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0729) USER MOD Single : A 31 TYR OH : rot -92:sc= 0.428 USER MOD Single : A 32 LYS NZ :NH3+ -134:sc= -0.018 (180deg=-1.81!) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN :FLIP amide:sc= -0.677 F(o=-1.7!,f=-0.68) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -0.686 K(o=-0.69,f=-7.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 1.619 -0.047 0.159 1.00 54.42 N ATOM 2 CA LEU A 1 2.308 -0.035 -1.127 1.00 13.41 C ATOM 3 C LEU A 1 2.911 -1.401 -1.434 1.00 63.31 C ATOM 4 O LEU A 1 3.329 -2.123 -0.529 1.00 5.41 O ATOM 5 CB LEU A 1 3.404 1.032 -1.130 1.00 41.22 C ATOM 6 CG LEU A 1 3.416 1.979 -2.331 1.00 72.20 C ATOM 7 CD1 LEU A 1 3.758 1.221 -3.605 1.00 11.34 C ATOM 8 CD2 LEU A 1 2.073 2.681 -2.470 1.00 72.41 C ATOM 0 H1 LEU A 1 1.217 0.894 0.346 1.00 54.42 H new ATOM 0 H2 LEU A 1 0.855 -0.752 0.137 1.00 54.42 H new ATOM 0 H3 LEU A 1 2.294 -0.291 0.912 1.00 54.42 H new ATOM 0 HA LEU A 1 1.578 0.201 -1.901 1.00 13.41 H new ATOM 0 HB2 LEU A 1 3.305 1.629 -0.223 1.00 41.22 H new ATOM 0 HB3 LEU A 1 4.371 0.531 -1.078 1.00 41.22 H new ATOM 0 HG LEU A 1 4.183 2.735 -2.166 1.00 72.20 H new ATOM 0 HD11 LEU A 1 3.762 1.911 -4.449 1.00 11.34 H new ATOM 0 HD12 LEU A 1 4.743 0.766 -3.504 1.00 11.34 H new ATOM 0 HD13 LEU A 1 3.014 0.443 -3.776 1.00 11.34 H new ATOM 0 HD21 LEU A 1 2.100 3.351 -3.330 1.00 72.41 H new ATOM 0 HD22 LEU A 1 1.288 1.939 -2.613 1.00 72.41 H new ATOM 0 HD23 LEU A 1 1.868 3.257 -1.568 1.00 72.41 H new ATOM 20 N GLN A 2 2.955 -1.749 -2.716 1.00 54.32 N ATOM 21 CA GLN A 2 3.509 -3.028 -3.142 1.00 72.41 C ATOM 22 C GLN A 2 4.611 -2.827 -4.176 1.00 63.04 C ATOM 23 O GLN A 2 4.591 -1.862 -4.941 1.00 61.01 O ATOM 24 CB GLN A 2 2.407 -3.918 -3.720 1.00 61.24 C ATOM 25 CG GLN A 2 1.849 -4.921 -2.723 1.00 60.05 C ATOM 26 CD GLN A 2 2.000 -6.355 -3.191 1.00 63.04 C ATOM 27 OE1 GLN A 2 2.527 -7.203 -2.471 1.00 30.14 O ATOM 28 NE2 GLN A 2 1.538 -6.634 -4.405 1.00 31.15 N ATOM 0 H GLN A 2 2.613 -1.163 -3.478 1.00 54.32 H new ATOM 0 HA GLN A 2 3.941 -3.517 -2.269 1.00 72.41 H new ATOM 0 HB2 GLN A 2 1.595 -3.288 -4.082 1.00 61.24 H new ATOM 0 HB3 GLN A 2 2.801 -4.456 -4.582 1.00 61.24 H new ATOM 0 HG2 GLN A 2 2.359 -4.799 -1.767 1.00 60.05 H new ATOM 0 HG3 GLN A 2 0.794 -4.708 -2.551 1.00 60.05 H new ATOM 0 HE21 GLN A 2 1.108 -5.900 -4.968 1.00 31.15 H new ATOM 0 HE22 GLN A 2 1.613 -7.582 -4.774 1.00 31.15 H new ATOM 37 N CYS A 3 5.573 -3.743 -4.195 1.00 23.54 N ATOM 38 CA CYS A 3 6.685 -3.667 -5.134 1.00 45.01 C ATOM 39 C CYS A 3 6.943 -5.024 -5.784 1.00 1.43 C ATOM 40 O CYS A 3 6.630 -6.067 -5.211 1.00 41.44 O ATOM 41 CB CYS A 3 7.950 -3.182 -4.422 1.00 33.03 C ATOM 42 SG CYS A 3 7.677 -1.774 -3.299 1.00 14.21 S ATOM 0 H CYS A 3 5.605 -4.548 -3.569 1.00 23.54 H new ATOM 0 HA CYS A 3 6.419 -2.954 -5.915 1.00 45.01 H new ATOM 0 HB2 CYS A 3 8.374 -4.010 -3.853 1.00 33.03 H new ATOM 0 HB3 CYS A 3 8.689 -2.898 -5.171 1.00 33.03 H new ATOM 47 N ASN A 4 7.516 -5.000 -6.983 1.00 0.03 N ATOM 48 CA ASN A 4 7.816 -6.228 -7.711 1.00 12.42 C ATOM 49 C ASN A 4 9.061 -6.905 -7.146 1.00 52.21 C ATOM 50 O ASN A 4 9.794 -6.318 -6.349 1.00 53.22 O ATOM 51 CB ASN A 4 8.015 -5.927 -9.198 1.00 31.41 C ATOM 52 CG ASN A 4 6.729 -5.500 -9.879 1.00 31.14 C ATOM 53 OD1 ASN A 4 6.290 -4.278 -9.600 1.00 3.14 O flip ATOM 54 ND2 ASN A 4 6.137 -6.260 -10.646 1.00 43.15 N flip ATOM 0 H ASN A 4 7.782 -4.145 -7.471 1.00 0.03 H new ATOM 0 HA ASN A 4 6.971 -6.907 -7.594 1.00 12.42 H new ATOM 0 HB2 ASN A 4 8.761 -5.140 -9.310 1.00 31.41 H new ATOM 0 HB3 ASN A 4 8.409 -6.813 -9.696 1.00 31.41 H new ATOM 0 HD21 ASN A 4 6.511 -7.191 -10.831 1.00 43.15 H new ATOM 0 HD22 ASN A 4 5.273 -5.959 -11.096 1.00 43.15 H new ATOM 61 N THR A 5 9.295 -8.145 -7.565 1.00 0.31 N ATOM 62 CA THR A 5 10.450 -8.903 -7.101 1.00 43.44 C ATOM 63 C THR A 5 11.264 -9.437 -8.274 1.00 42.44 C ATOM 64 O THR A 5 10.759 -9.555 -9.391 1.00 52.35 O ATOM 65 CB THR A 5 10.026 -10.082 -6.206 1.00 70.23 C ATOM 66 OG1 THR A 5 9.421 -11.108 -7.002 1.00 12.33 O ATOM 67 CG2 THR A 5 9.050 -9.624 -5.133 1.00 42.51 C ATOM 0 H THR A 5 8.700 -8.645 -8.225 1.00 0.31 H new ATOM 0 HA THR A 5 11.065 -8.217 -6.518 1.00 43.44 H new ATOM 0 HB THR A 5 10.917 -10.478 -5.719 1.00 70.23 H new ATOM 0 HG1 THR A 5 9.155 -11.855 -6.426 1.00 12.33 H new ATOM 0 HG21 THR A 5 8.765 -10.474 -4.513 1.00 42.51 H new ATOM 0 HG22 THR A 5 9.523 -8.864 -4.511 1.00 42.51 H new ATOM 0 HG23 THR A 5 8.161 -9.205 -5.605 1.00 42.51 H new ATOM 75 N LEU A 6 12.526 -9.759 -8.014 1.00 44.05 N ATOM 76 CA LEU A 6 13.411 -10.282 -9.050 1.00 23.14 C ATOM 77 C LEU A 6 12.953 -11.662 -9.512 1.00 12.52 C ATOM 78 O LEU A 6 13.288 -12.102 -10.612 1.00 10.24 O ATOM 79 CB LEU A 6 14.848 -10.357 -8.530 1.00 60.10 C ATOM 80 CG LEU A 6 15.119 -11.412 -7.456 1.00 42.44 C ATOM 81 CD1 LEU A 6 16.490 -12.038 -7.658 1.00 22.21 C ATOM 82 CD2 LEU A 6 15.010 -10.799 -6.068 1.00 34.24 C ATOM 0 H LEU A 6 12.960 -9.667 -7.095 1.00 44.05 H new ATOM 0 HA LEU A 6 13.374 -9.603 -9.902 1.00 23.14 H new ATOM 0 HB2 LEU A 6 15.509 -10.549 -9.375 1.00 60.10 H new ATOM 0 HB3 LEU A 6 15.119 -9.381 -8.129 1.00 60.10 H new ATOM 0 HG LEU A 6 14.367 -12.196 -7.545 1.00 42.44 H new ATOM 0 HD11 LEU A 6 16.666 -12.786 -6.885 1.00 22.21 H new ATOM 0 HD12 LEU A 6 16.533 -12.512 -8.638 1.00 22.21 H new ATOM 0 HD13 LEU A 6 17.256 -11.265 -7.595 1.00 22.21 H new ATOM 0 HD21 LEU A 6 15.206 -11.564 -5.316 1.00 34.24 H new ATOM 0 HD22 LEU A 6 15.739 -9.995 -5.967 1.00 34.24 H new ATOM 0 HD23 LEU A 6 14.007 -10.398 -5.925 1.00 34.24 H new ATOM 94 N ASP A 7 12.183 -12.338 -8.666 1.00 4.42 N ATOM 95 CA ASP A 7 11.676 -13.666 -8.989 1.00 13.05 C ATOM 96 C ASP A 7 10.390 -13.573 -9.805 1.00 3.12 C ATOM 97 O ASP A 7 9.756 -14.585 -10.100 1.00 52.31 O ATOM 98 CB ASP A 7 11.425 -14.464 -7.708 1.00 71.43 C ATOM 99 CG ASP A 7 11.359 -15.958 -7.961 1.00 2.22 C ATOM 100 OD1 ASP A 7 11.793 -16.396 -9.047 1.00 54.23 O ATOM 101 OD2 ASP A 7 10.875 -16.689 -7.072 1.00 3.33 O ATOM 0 H ASP A 7 11.897 -11.988 -7.752 1.00 4.42 H new ATOM 0 HA ASP A 7 12.428 -14.180 -9.587 1.00 13.05 H new ATOM 0 HB2 ASP A 7 12.219 -14.254 -6.991 1.00 71.43 H new ATOM 0 HB3 ASP A 7 10.491 -14.133 -7.254 1.00 71.43 H new ATOM 106 N GLY A 8 10.011 -12.350 -10.166 1.00 23.54 N ATOM 107 CA GLY A 8 8.803 -12.148 -10.943 1.00 52.30 C ATOM 108 C GLY A 8 7.564 -12.049 -10.074 1.00 44.25 C ATOM 109 O GLY A 8 6.481 -11.727 -10.560 1.00 40.32 O ATOM 0 H GLY A 8 10.519 -11.497 -9.934 1.00 23.54 H new ATOM 0 HA2 GLY A 8 8.903 -11.237 -11.533 1.00 52.30 H new ATOM 0 HA3 GLY A 8 8.685 -12.972 -11.646 1.00 52.30 H new ATOM 113 N GLY A 9 7.724 -12.328 -8.784 1.00 62.33 N ATOM 114 CA GLY A 9 6.601 -12.265 -7.867 1.00 64.21 C ATOM 115 C GLY A 9 6.389 -10.873 -7.306 1.00 31.44 C ATOM 116 O GLY A 9 7.138 -9.948 -7.619 1.00 3.43 O ATOM 0 H GLY A 9 8.611 -12.596 -8.358 1.00 62.33 H new ATOM 0 HA2 GLY A 9 5.696 -12.587 -8.382 1.00 64.21 H new ATOM 0 HA3 GLY A 9 6.766 -12.963 -7.046 1.00 64.21 H new ATOM 120 N THR A 10 5.363 -10.723 -6.474 1.00 11.44 N ATOM 121 CA THR A 10 5.052 -9.433 -5.869 1.00 72.45 C ATOM 122 C THR A 10 5.343 -9.443 -4.373 1.00 43.32 C ATOM 123 O THR A 10 5.161 -10.458 -3.703 1.00 63.41 O ATOM 124 CB THR A 10 3.576 -9.050 -6.091 1.00 63.51 C ATOM 125 OG1 THR A 10 2.736 -10.189 -5.873 1.00 25.55 O ATOM 126 CG2 THR A 10 3.361 -8.518 -7.500 1.00 21.21 C ATOM 0 H THR A 10 4.733 -11.479 -6.204 1.00 11.44 H new ATOM 0 HA THR A 10 5.689 -8.694 -6.355 1.00 72.45 H new ATOM 0 HB THR A 10 3.316 -8.266 -5.380 1.00 63.51 H new ATOM 0 HG1 THR A 10 1.800 -9.937 -6.014 1.00 25.55 H new ATOM 0 HG21 THR A 10 2.312 -8.254 -7.633 1.00 21.21 H new ATOM 0 HG22 THR A 10 3.980 -7.634 -7.653 1.00 21.21 H new ATOM 0 HG23 THR A 10 3.637 -9.284 -8.224 1.00 21.21 H new ATOM 134 N GLU A 11 5.796 -8.305 -3.856 1.00 51.20 N ATOM 135 CA GLU A 11 6.112 -8.184 -2.438 1.00 4.32 C ATOM 136 C GLU A 11 5.465 -6.937 -1.840 1.00 63.54 C ATOM 137 O GLU A 11 5.310 -5.922 -2.517 1.00 51.24 O ATOM 138 CB GLU A 11 7.628 -8.133 -2.233 1.00 50.32 C ATOM 139 CG GLU A 11 8.289 -6.926 -2.879 1.00 30.35 C ATOM 140 CD GLU A 11 9.662 -6.636 -2.303 1.00 55.31 C ATOM 141 OE1 GLU A 11 10.592 -7.428 -2.558 1.00 43.13 O ATOM 142 OE2 GLU A 11 9.804 -5.615 -1.597 1.00 63.24 O ATOM 0 H GLU A 11 5.952 -7.455 -4.397 1.00 51.20 H new ATOM 0 HA GLU A 11 5.712 -9.060 -1.927 1.00 4.32 H new ATOM 0 HB2 GLU A 11 7.842 -8.125 -1.164 1.00 50.32 H new ATOM 0 HB3 GLU A 11 8.072 -9.041 -2.640 1.00 50.32 H new ATOM 0 HG2 GLU A 11 8.377 -7.096 -3.952 1.00 30.35 H new ATOM 0 HG3 GLU A 11 7.651 -6.052 -2.746 1.00 30.35 H new ATOM 149 N GLU A 12 5.090 -7.025 -0.568 1.00 50.31 N ATOM 150 CA GLU A 12 4.458 -5.905 0.120 1.00 44.21 C ATOM 151 C GLU A 12 5.507 -4.984 0.738 1.00 62.53 C ATOM 152 O GLU A 12 6.307 -5.408 1.573 1.00 72.02 O ATOM 153 CB GLU A 12 3.508 -6.415 1.206 1.00 43.35 C ATOM 154 CG GLU A 12 4.198 -7.239 2.280 1.00 51.22 C ATOM 155 CD GLU A 12 3.215 -7.931 3.205 1.00 45.24 C ATOM 156 OE1 GLU A 12 2.310 -8.624 2.697 1.00 35.22 O ATOM 157 OE2 GLU A 12 3.353 -7.779 4.437 1.00 44.34 O ATOM 0 H GLU A 12 5.213 -7.859 0.007 1.00 50.31 H new ATOM 0 HA GLU A 12 3.887 -5.336 -0.614 1.00 44.21 H new ATOM 0 HB2 GLU A 12 3.014 -5.563 1.674 1.00 43.35 H new ATOM 0 HB3 GLU A 12 2.729 -7.019 0.741 1.00 43.35 H new ATOM 0 HG2 GLU A 12 4.834 -7.987 1.806 1.00 51.22 H new ATOM 0 HG3 GLU A 12 4.850 -6.592 2.867 1.00 51.22 H new ATOM 164 N CYS A 13 5.498 -3.723 0.321 1.00 40.14 N ATOM 165 CA CYS A 13 6.448 -2.741 0.831 1.00 72.45 C ATOM 166 C CYS A 13 5.847 -1.956 1.993 1.00 52.35 C ATOM 167 O CYS A 13 4.705 -1.501 1.923 1.00 53.25 O ATOM 168 CB CYS A 13 6.870 -1.782 -0.284 1.00 73.11 C ATOM 169 SG CYS A 13 8.123 -2.464 -1.417 1.00 54.13 S ATOM 0 H CYS A 13 4.843 -3.356 -0.369 1.00 40.14 H new ATOM 0 HA CYS A 13 7.327 -3.275 1.193 1.00 72.45 H new ATOM 0 HB2 CYS A 13 5.988 -1.502 -0.861 1.00 73.11 H new ATOM 0 HB3 CYS A 13 7.260 -0.869 0.165 1.00 73.11 H new ATOM 174 N ILE A 14 6.624 -1.801 3.059 1.00 11.50 N ATOM 175 CA ILE A 14 6.169 -1.069 4.235 1.00 62.10 C ATOM 176 C ILE A 14 6.029 0.420 3.936 1.00 32.30 C ATOM 177 O ILE A 14 6.979 1.089 3.530 1.00 71.15 O ATOM 178 CB ILE A 14 7.134 -1.254 5.421 1.00 30.31 C ATOM 179 CG1 ILE A 14 7.457 -2.737 5.618 1.00 54.04 C ATOM 180 CG2 ILE A 14 6.534 -0.665 6.689 1.00 42.42 C ATOM 181 CD1 ILE A 14 8.405 -3.002 6.766 1.00 33.01 C ATOM 0 H ILE A 14 7.571 -2.172 3.133 1.00 11.50 H new ATOM 0 HA ILE A 14 5.194 -1.477 4.503 1.00 62.10 H new ATOM 0 HB ILE A 14 8.061 -0.725 5.201 1.00 30.31 H new ATOM 0 HG12 ILE A 14 6.529 -3.283 5.790 1.00 54.04 H new ATOM 0 HG13 ILE A 14 7.893 -3.131 4.700 1.00 54.04 H new ATOM 0 HG21 ILE A 14 7.228 -0.804 7.518 1.00 42.42 H new ATOM 0 HG22 ILE A 14 6.350 0.399 6.544 1.00 42.42 H new ATOM 0 HG23 ILE A 14 5.594 -1.168 6.915 1.00 42.42 H new ATOM 0 HD11 ILE A 14 8.589 -4.073 6.846 1.00 33.01 H new ATOM 0 HD12 ILE A 14 9.347 -2.485 6.586 1.00 33.01 H new ATOM 0 HD13 ILE A 14 7.963 -2.639 7.694 1.00 33.01 H new ATOM 193 N PRO A 15 4.816 0.953 4.143 1.00 34.12 N ATOM 194 CA PRO A 15 4.522 2.369 3.905 1.00 42.24 C ATOM 195 C PRO A 15 5.204 3.281 4.919 1.00 41.34 C ATOM 196 O PRO A 15 5.188 4.503 4.778 1.00 11.43 O ATOM 197 CB PRO A 15 3.001 2.446 4.054 1.00 12.33 C ATOM 198 CG PRO A 15 2.649 1.303 4.942 1.00 1.14 C ATOM 199 CD PRO A 15 3.637 0.214 4.627 1.00 40.32 C ATOM 0 HA PRO A 15 4.886 2.703 2.933 1.00 42.24 H new ATOM 0 HB2 PRO A 15 2.694 3.396 4.491 1.00 12.33 H new ATOM 0 HB3 PRO A 15 2.504 2.364 3.087 1.00 12.33 H new ATOM 0 HG2 PRO A 15 2.708 1.592 5.991 1.00 1.14 H new ATOM 0 HG3 PRO A 15 1.628 0.968 4.760 1.00 1.14 H new ATOM 0 HD2 PRO A 15 3.871 -0.384 5.508 1.00 40.32 H new ATOM 0 HD3 PRO A 15 3.253 -0.470 3.870 1.00 40.32 H new ATOM 207 N GLY A 16 5.804 2.679 5.941 1.00 71.51 N ATOM 208 CA GLY A 16 6.483 3.452 6.963 1.00 5.33 C ATOM 209 C GLY A 16 7.991 3.423 6.807 1.00 71.24 C ATOM 210 O GLY A 16 8.703 4.195 7.449 1.00 25.42 O ATOM 0 H GLY A 16 5.832 1.669 6.079 1.00 71.51 H new ATOM 0 HA2 GLY A 16 6.137 4.485 6.923 1.00 5.33 H new ATOM 0 HA3 GLY A 16 6.215 3.064 7.946 1.00 5.33 H new ATOM 214 N ILE A 17 8.478 2.529 5.952 1.00 11.32 N ATOM 215 CA ILE A 17 9.910 2.402 5.714 1.00 3.42 C ATOM 216 C ILE A 17 10.242 2.600 4.239 1.00 2.51 C ATOM 217 O ILE A 17 10.901 3.571 3.865 1.00 25.22 O ATOM 218 CB ILE A 17 10.437 1.028 6.167 1.00 34.31 C ATOM 219 CG1 ILE A 17 10.156 0.815 7.656 1.00 34.00 C ATOM 220 CG2 ILE A 17 11.926 0.911 5.882 1.00 64.44 C ATOM 221 CD1 ILE A 17 10.625 -0.527 8.174 1.00 53.32 C ATOM 0 H ILE A 17 7.902 1.883 5.413 1.00 11.32 H new ATOM 0 HA ILE A 17 10.397 3.180 6.301 1.00 3.42 H new ATOM 0 HB ILE A 17 9.917 0.253 5.604 1.00 34.31 H new ATOM 0 HG12 ILE A 17 10.643 1.606 8.226 1.00 34.00 H new ATOM 0 HG13 ILE A 17 9.084 0.909 7.832 1.00 34.00 H new ATOM 0 HG21 ILE A 17 12.283 -0.066 6.208 1.00 64.44 H new ATOM 0 HG22 ILE A 17 12.102 1.023 4.812 1.00 64.44 H new ATOM 0 HG23 ILE A 17 12.462 1.692 6.421 1.00 64.44 H new ATOM 0 HD11 ILE A 17 10.393 -0.608 9.236 1.00 53.32 H new ATOM 0 HD12 ILE A 17 10.119 -1.324 7.630 1.00 53.32 H new ATOM 0 HD13 ILE A 17 11.702 -0.617 8.030 1.00 53.32 H new ATOM 233 N TYR A 18 9.780 1.676 3.405 1.00 33.22 N ATOM 234 CA TYR A 18 10.028 1.748 1.970 1.00 13.01 C ATOM 235 C TYR A 18 9.070 2.729 1.300 1.00 20.15 C ATOM 236 O TYR A 18 7.856 2.532 1.309 1.00 32.13 O ATOM 237 CB TYR A 18 9.883 0.364 1.336 1.00 22.51 C ATOM 238 CG TYR A 18 10.697 -0.707 2.027 1.00 2.12 C ATOM 239 CD1 TYR A 18 11.986 -0.446 2.477 1.00 74.21 C ATOM 240 CD2 TYR A 18 10.177 -1.979 2.231 1.00 21.24 C ATOM 241 CE1 TYR A 18 12.733 -1.421 3.108 1.00 31.51 C ATOM 242 CE2 TYR A 18 10.917 -2.960 2.863 1.00 33.40 C ATOM 243 CZ TYR A 18 12.194 -2.677 3.299 1.00 1.20 C ATOM 244 OH TYR A 18 12.935 -3.651 3.929 1.00 51.33 O ATOM 0 H TYR A 18 9.231 0.868 3.698 1.00 33.22 H new ATOM 0 HA TYR A 18 11.047 2.104 1.821 1.00 13.01 H new ATOM 0 HB2 TYR A 18 8.832 0.075 1.350 1.00 22.51 H new ATOM 0 HB3 TYR A 18 10.184 0.419 0.290 1.00 22.51 H new ATOM 0 HD1 TYR A 18 12.411 0.536 2.331 1.00 74.21 H new ATOM 0 HD2 TYR A 18 9.178 -2.205 1.890 1.00 21.24 H new ATOM 0 HE1 TYR A 18 13.734 -1.202 3.450 1.00 31.51 H new ATOM 0 HE2 TYR A 18 10.497 -3.943 3.015 1.00 33.40 H new ATOM 0 HH TYR A 18 12.410 -4.477 3.985 1.00 51.33 H new ATOM 254 N ASN A 19 9.627 3.787 0.720 1.00 63.54 N ATOM 255 CA ASN A 19 8.824 4.799 0.044 1.00 0.45 C ATOM 256 C ASN A 19 9.206 4.903 -1.429 1.00 12.30 C ATOM 257 O ASN A 19 8.501 5.528 -2.222 1.00 10.14 O ATOM 258 CB ASN A 19 9.001 6.158 0.726 1.00 71.13 C ATOM 259 CG ASN A 19 10.245 6.884 0.252 1.00 1.44 C ATOM 260 OD1 ASN A 19 10.191 7.689 -0.677 1.00 44.54 O ATOM 261 ND2 ASN A 19 11.374 6.602 0.892 1.00 1.21 N ATOM 0 H ASN A 19 10.631 3.966 0.705 1.00 63.54 H new ATOM 0 HA ASN A 19 7.778 4.500 0.109 1.00 0.45 H new ATOM 0 HB2 ASN A 19 8.125 6.777 0.530 1.00 71.13 H new ATOM 0 HB3 ASN A 19 9.056 6.016 1.805 1.00 71.13 H new ATOM 0 HD21 ASN A 19 12.243 7.060 0.618 1.00 1.21 H new ATOM 0 HD22 ASN A 19 11.372 5.927 1.657 1.00 1.21 H new ATOM 268 N VAL A 20 10.327 4.286 -1.789 1.00 75.23 N ATOM 269 CA VAL A 20 10.802 4.307 -3.167 1.00 71.25 C ATOM 270 C VAL A 20 10.805 2.906 -3.769 1.00 24.10 C ATOM 271 O VAL A 20 10.562 1.919 -3.074 1.00 0.12 O ATOM 272 CB VAL A 20 12.221 4.898 -3.263 1.00 11.12 C ATOM 273 CG1 VAL A 20 12.195 6.395 -2.992 1.00 62.31 C ATOM 274 CG2 VAL A 20 13.159 4.189 -2.297 1.00 51.44 C ATOM 0 H VAL A 20 10.923 3.766 -1.145 1.00 75.23 H new ATOM 0 HA VAL A 20 10.114 4.939 -3.729 1.00 71.25 H new ATOM 0 HB VAL A 20 12.594 4.743 -4.276 1.00 11.12 H new ATOM 0 HG11 VAL A 20 13.206 6.795 -3.064 1.00 62.31 H new ATOM 0 HG12 VAL A 20 11.557 6.887 -3.726 1.00 62.31 H new ATOM 0 HG13 VAL A 20 11.803 6.577 -1.991 1.00 62.31 H new ATOM 0 HG21 VAL A 20 14.157 4.619 -2.378 1.00 51.44 H new ATOM 0 HG22 VAL A 20 12.792 4.312 -1.278 1.00 51.44 H new ATOM 0 HG23 VAL A 20 13.200 3.128 -2.543 1.00 51.44 H new ATOM 284 N CYS A 21 11.083 2.826 -5.066 1.00 25.41 N ATOM 285 CA CYS A 21 11.119 1.546 -5.763 1.00 23.30 C ATOM 286 C CYS A 21 11.978 1.636 -7.021 1.00 72.44 C ATOM 287 O CYS A 21 12.000 2.663 -7.699 1.00 4.33 O ATOM 288 CB CYS A 21 9.702 1.101 -6.130 1.00 0.31 C ATOM 289 SG CYS A 21 8.688 2.407 -6.895 1.00 11.11 S ATOM 0 H CYS A 21 11.287 3.633 -5.656 1.00 25.41 H new ATOM 0 HA CYS A 21 11.562 0.808 -5.094 1.00 23.30 H new ATOM 0 HB2 CYS A 21 9.764 0.256 -6.815 1.00 0.31 H new ATOM 0 HB3 CYS A 21 9.200 0.746 -5.230 1.00 0.31 H new ATOM 294 N VAL A 22 12.683 0.552 -7.328 1.00 63.54 N ATOM 295 CA VAL A 22 13.542 0.507 -8.506 1.00 24.55 C ATOM 296 C VAL A 22 13.358 -0.799 -9.271 1.00 22.24 C ATOM 297 O VAL A 22 13.242 -1.870 -8.674 1.00 24.12 O ATOM 298 CB VAL A 22 15.027 0.660 -8.123 1.00 75.14 C ATOM 299 CG1 VAL A 22 15.920 0.059 -9.198 1.00 33.42 C ATOM 300 CG2 VAL A 22 15.368 2.124 -7.892 1.00 42.25 C ATOM 0 H VAL A 22 12.676 -0.307 -6.778 1.00 63.54 H new ATOM 0 HA VAL A 22 13.250 1.342 -9.143 1.00 24.55 H new ATOM 0 HB VAL A 22 15.203 0.118 -7.194 1.00 75.14 H new ATOM 0 HG11 VAL A 22 16.965 0.176 -8.910 1.00 33.42 H new ATOM 0 HG12 VAL A 22 15.691 -1.001 -9.310 1.00 33.42 H new ATOM 0 HG13 VAL A 22 15.745 0.570 -10.144 1.00 33.42 H new ATOM 0 HG21 VAL A 22 16.420 2.214 -7.622 1.00 42.25 H new ATOM 0 HG22 VAL A 22 15.177 2.690 -8.804 1.00 42.25 H new ATOM 0 HG23 VAL A 22 14.751 2.518 -7.084 1.00 42.25 H new ATOM 310 N HIS A 23 13.333 -0.703 -10.596 1.00 74.42 N ATOM 311 CA HIS A 23 13.164 -1.878 -11.444 1.00 54.04 C ATOM 312 C HIS A 23 14.314 -2.000 -12.439 1.00 23.12 C ATOM 313 O HIS A 23 14.451 -1.181 -13.348 1.00 65.52 O ATOM 314 CB HIS A 23 11.833 -1.805 -12.193 1.00 74.13 C ATOM 315 CG HIS A 23 11.683 -2.854 -13.252 1.00 33.12 C ATOM 316 ND1 HIS A 23 10.889 -2.690 -14.367 1.00 40.43 N ATOM 317 CD2 HIS A 23 12.232 -4.086 -13.361 1.00 61.32 C ATOM 318 CE1 HIS A 23 10.955 -3.776 -15.116 1.00 43.12 C ATOM 319 NE2 HIS A 23 11.764 -4.639 -14.528 1.00 42.41 N ATOM 0 H HIS A 23 13.427 0.175 -11.106 1.00 74.42 H new ATOM 0 HA HIS A 23 13.165 -2.760 -10.804 1.00 54.04 H new ATOM 0 HB2 HIS A 23 11.017 -1.904 -11.477 1.00 74.13 H new ATOM 0 HB3 HIS A 23 11.737 -0.821 -12.652 1.00 74.13 H new ATOM 0 HD2 HIS A 23 12.912 -4.548 -12.661 1.00 61.32 H new ATOM 0 HE1 HIS A 23 10.436 -3.932 -16.050 1.00 43.12 H new ATOM 0 HE2 HIS A 23 12.002 -5.565 -14.883 1.00 42.41 H new ATOM 327 N TYR A 24 15.139 -3.026 -12.259 1.00 34.01 N ATOM 328 CA TYR A 24 16.279 -3.253 -13.138 1.00 63.22 C ATOM 329 C TYR A 24 15.986 -4.372 -14.133 1.00 60.11 C ATOM 330 O TYR A 24 15.796 -5.526 -13.750 1.00 33.53 O ATOM 331 CB TYR A 24 17.522 -3.599 -12.317 1.00 24.03 C ATOM 332 CG TYR A 24 18.799 -3.614 -13.127 1.00 11.01 C ATOM 333 CD1 TYR A 24 19.050 -4.625 -14.046 1.00 22.32 C ATOM 334 CD2 TYR A 24 19.753 -2.616 -12.974 1.00 44.30 C ATOM 335 CE1 TYR A 24 20.215 -4.643 -14.787 1.00 64.14 C ATOM 336 CE2 TYR A 24 20.921 -2.625 -13.713 1.00 11.34 C ATOM 337 CZ TYR A 24 21.148 -3.641 -14.617 1.00 55.35 C ATOM 338 OH TYR A 24 22.309 -3.654 -15.355 1.00 71.15 O ATOM 0 H TYR A 24 15.039 -3.713 -11.512 1.00 34.01 H new ATOM 0 HA TYR A 24 16.464 -2.335 -13.695 1.00 63.22 H new ATOM 0 HB2 TYR A 24 17.624 -2.877 -11.507 1.00 24.03 H new ATOM 0 HB3 TYR A 24 17.382 -4.577 -11.857 1.00 24.03 H new ATOM 0 HD1 TYR A 24 18.321 -5.410 -14.183 1.00 22.32 H new ATOM 0 HD2 TYR A 24 19.579 -1.820 -12.266 1.00 44.30 H new ATOM 0 HE1 TYR A 24 20.395 -5.437 -15.496 1.00 64.14 H new ATOM 0 HE2 TYR A 24 21.652 -1.841 -13.583 1.00 11.34 H new ATOM 0 HH TYR A 24 22.857 -2.878 -15.116 1.00 71.15 H new ATOM 348 N LYS A 25 15.952 -4.022 -15.414 1.00 53.43 N ATOM 349 CA LYS A 25 15.684 -4.994 -16.467 1.00 71.01 C ATOM 350 C LYS A 25 16.761 -4.938 -17.546 1.00 32.41 C ATOM 351 O LYS A 25 16.908 -3.931 -18.238 1.00 22.02 O ATOM 352 CB LYS A 25 14.310 -4.737 -17.090 1.00 33.03 C ATOM 353 CG LYS A 25 13.907 -5.774 -18.123 1.00 74.34 C ATOM 354 CD LYS A 25 12.815 -5.251 -19.042 1.00 34.55 C ATOM 355 CE LYS A 25 13.373 -4.293 -20.082 1.00 11.30 C ATOM 356 NZ LYS A 25 14.135 -5.008 -21.143 1.00 4.34 N ATOM 0 H LYS A 25 16.107 -3.071 -15.748 1.00 53.43 H new ATOM 0 HA LYS A 25 15.693 -5.988 -16.020 1.00 71.01 H new ATOM 0 HB2 LYS A 25 13.560 -4.714 -16.299 1.00 33.03 H new ATOM 0 HB3 LYS A 25 14.311 -3.752 -17.557 1.00 33.03 H new ATOM 0 HG2 LYS A 25 14.778 -6.057 -18.715 1.00 74.34 H new ATOM 0 HG3 LYS A 25 13.558 -6.675 -17.618 1.00 74.34 H new ATOM 0 HD2 LYS A 25 12.327 -6.088 -19.542 1.00 34.55 H new ATOM 0 HD3 LYS A 25 12.052 -4.744 -18.451 1.00 34.55 H new ATOM 0 HE2 LYS A 25 12.555 -3.734 -20.537 1.00 11.30 H new ATOM 0 HE3 LYS A 25 14.023 -3.567 -19.595 1.00 11.30 H new ATOM 0 HZ1 LYS A 25 14.324 -4.358 -21.932 1.00 4.34 H new ATOM 0 HZ2 LYS A 25 15.036 -5.350 -20.753 1.00 4.34 H new ATOM 0 HZ3 LYS A 25 13.578 -5.816 -21.486 1.00 4.34 H new ATOM 370 N SER A 26 17.510 -6.028 -17.685 1.00 1.55 N ATOM 371 CA SER A 26 18.575 -6.101 -18.678 1.00 20.41 C ATOM 372 C SER A 26 18.521 -7.425 -19.435 1.00 53.32 C ATOM 373 O SER A 26 17.918 -8.392 -18.972 1.00 73.11 O ATOM 374 CB SER A 26 19.940 -5.941 -18.006 1.00 1.10 C ATOM 375 OG SER A 26 20.193 -4.585 -17.682 1.00 51.32 O ATOM 0 H SER A 26 17.399 -6.872 -17.123 1.00 1.55 H new ATOM 0 HA SER A 26 18.431 -5.288 -19.390 1.00 20.41 H new ATOM 0 HB2 SER A 26 19.977 -6.547 -17.101 1.00 1.10 H new ATOM 0 HB3 SER A 26 20.721 -6.311 -18.670 1.00 1.10 H new ATOM 0 HG SER A 26 19.869 -4.399 -16.776 1.00 51.32 H new ATOM 381 N GLU A 27 19.156 -7.458 -20.603 1.00 14.32 N ATOM 382 CA GLU A 27 19.179 -8.662 -21.425 1.00 52.31 C ATOM 383 C GLU A 27 20.135 -9.699 -20.844 1.00 32.34 C ATOM 384 O GLU A 27 20.106 -10.869 -21.226 1.00 73.12 O ATOM 385 CB GLU A 27 19.591 -8.319 -22.858 1.00 72.33 C ATOM 386 CG GLU A 27 18.893 -7.089 -23.415 1.00 22.42 C ATOM 387 CD GLU A 27 19.033 -6.970 -24.920 1.00 23.20 C ATOM 388 OE1 GLU A 27 20.033 -7.484 -25.465 1.00 32.34 O ATOM 389 OE2 GLU A 27 18.145 -6.363 -25.553 1.00 35.21 O ATOM 0 H GLU A 27 19.661 -6.666 -21.000 1.00 14.32 H new ATOM 0 HA GLU A 27 18.174 -9.085 -21.434 1.00 52.31 H new ATOM 0 HB2 GLU A 27 20.669 -8.160 -22.889 1.00 72.33 H new ATOM 0 HB3 GLU A 27 19.376 -9.171 -23.503 1.00 72.33 H new ATOM 0 HG2 GLU A 27 17.835 -7.127 -23.154 1.00 22.42 H new ATOM 0 HG3 GLU A 27 19.306 -6.197 -22.944 1.00 22.42 H new ATOM 396 N ASP A 28 20.981 -9.262 -19.918 1.00 1.12 N ATOM 397 CA ASP A 28 21.946 -10.152 -19.282 1.00 41.34 C ATOM 398 C ASP A 28 21.485 -10.543 -17.882 1.00 14.21 C ATOM 399 O ASP A 28 21.866 -11.591 -17.363 1.00 64.10 O ATOM 400 CB ASP A 28 23.320 -9.483 -19.212 1.00 14.41 C ATOM 401 CG ASP A 28 24.453 -10.460 -19.453 1.00 71.14 C ATOM 402 OD1 ASP A 28 24.574 -10.959 -20.592 1.00 31.51 O ATOM 403 OD2 ASP A 28 25.220 -10.725 -18.504 1.00 75.31 O ATOM 0 H ASP A 28 21.018 -8.297 -19.591 1.00 1.12 H new ATOM 0 HA ASP A 28 22.021 -11.057 -19.886 1.00 41.34 H new ATOM 0 HB2 ASP A 28 23.370 -8.684 -19.952 1.00 14.41 H new ATOM 0 HB3 ASP A 28 23.446 -9.020 -18.233 1.00 14.41 H new ATOM 408 N GLU A 29 20.662 -9.692 -17.276 1.00 41.02 N ATOM 409 CA GLU A 29 20.151 -9.949 -15.935 1.00 13.31 C ATOM 410 C GLU A 29 18.895 -9.125 -15.664 1.00 42.34 C ATOM 411 O GLU A 29 18.587 -8.186 -16.398 1.00 72.32 O ATOM 412 CB GLU A 29 21.219 -9.629 -14.888 1.00 5.23 C ATOM 413 CG GLU A 29 21.440 -8.140 -14.678 1.00 70.12 C ATOM 414 CD GLU A 29 22.781 -7.833 -14.041 1.00 21.03 C ATOM 415 OE1 GLU A 29 23.170 -8.554 -13.099 1.00 31.34 O ATOM 416 OE2 GLU A 29 23.442 -6.871 -14.485 1.00 10.21 O ATOM 0 H GLU A 29 20.336 -8.820 -17.692 1.00 41.02 H new ATOM 0 HA GLU A 29 19.893 -11.006 -15.869 1.00 13.31 H new ATOM 0 HB2 GLU A 29 20.933 -10.082 -13.939 1.00 5.23 H new ATOM 0 HB3 GLU A 29 22.160 -10.088 -15.190 1.00 5.23 H new ATOM 0 HG2 GLU A 29 21.372 -7.628 -15.638 1.00 70.12 H new ATOM 0 HG3 GLU A 29 20.644 -7.744 -14.048 1.00 70.12 H new ATOM 423 N GLU A 30 18.175 -9.484 -14.606 1.00 42.11 N ATOM 424 CA GLU A 30 16.953 -8.779 -14.240 1.00 14.22 C ATOM 425 C GLU A 30 16.637 -8.971 -12.759 1.00 52.52 C ATOM 426 O GLU A 30 16.524 -10.098 -12.278 1.00 63.43 O ATOM 427 CB GLU A 30 15.780 -9.270 -15.091 1.00 34.15 C ATOM 428 CG GLU A 30 14.470 -8.561 -14.789 1.00 31.43 C ATOM 429 CD GLU A 30 13.293 -9.174 -15.522 1.00 54.03 C ATOM 430 OE1 GLU A 30 13.488 -10.206 -16.199 1.00 14.43 O ATOM 431 OE2 GLU A 30 12.177 -8.622 -15.420 1.00 61.25 O ATOM 0 H GLU A 30 18.417 -10.258 -13.988 1.00 42.11 H new ATOM 0 HA GLU A 30 17.107 -7.716 -14.426 1.00 14.22 H new ATOM 0 HB2 GLU A 30 16.024 -9.132 -16.144 1.00 34.15 H new ATOM 0 HB3 GLU A 30 15.649 -10.340 -14.932 1.00 34.15 H new ATOM 0 HG2 GLU A 30 14.282 -8.594 -13.716 1.00 31.43 H new ATOM 0 HG3 GLU A 30 14.558 -7.510 -15.065 1.00 31.43 H new ATOM 438 N TYR A 31 16.496 -7.861 -12.042 1.00 74.32 N ATOM 439 CA TYR A 31 16.196 -7.906 -10.616 1.00 31.21 C ATOM 440 C TYR A 31 15.529 -6.612 -10.158 1.00 64.33 C ATOM 441 O TYR A 31 15.587 -5.593 -10.846 1.00 50.22 O ATOM 442 CB TYR A 31 17.475 -8.146 -9.812 1.00 32.20 C ATOM 443 CG TYR A 31 18.503 -7.049 -9.969 1.00 3.04 C ATOM 444 CD1 TYR A 31 18.375 -5.847 -9.284 1.00 44.33 C ATOM 445 CD2 TYR A 31 19.604 -7.215 -10.800 1.00 71.34 C ATOM 446 CE1 TYR A 31 19.312 -4.841 -9.425 1.00 63.41 C ATOM 447 CE2 TYR A 31 20.547 -6.216 -10.946 1.00 74.02 C ATOM 448 CZ TYR A 31 20.396 -5.031 -10.257 1.00 1.21 C ATOM 449 OH TYR A 31 21.332 -4.032 -10.399 1.00 24.42 O ATOM 0 H TYR A 31 16.585 -6.920 -12.425 1.00 74.32 H new ATOM 0 HA TYR A 31 15.505 -8.731 -10.442 1.00 31.21 H new ATOM 0 HB2 TYR A 31 17.218 -8.244 -8.757 1.00 32.20 H new ATOM 0 HB3 TYR A 31 17.917 -9.093 -10.122 1.00 32.20 H new ATOM 0 HD1 TYR A 31 17.529 -5.696 -8.630 1.00 44.33 H new ATOM 0 HD2 TYR A 31 19.725 -8.142 -11.342 1.00 71.34 H new ATOM 0 HE1 TYR A 31 19.196 -3.912 -8.887 1.00 63.41 H new ATOM 0 HE2 TYR A 31 21.397 -6.362 -11.596 1.00 74.02 H new ATOM 0 HH TYR A 31 21.092 -3.465 -11.162 1.00 24.42 H new ATOM 459 N LYS A 32 14.897 -6.661 -8.991 1.00 32.31 N ATOM 460 CA LYS A 32 14.220 -5.494 -8.437 1.00 70.54 C ATOM 461 C LYS A 32 14.469 -5.382 -6.937 1.00 2.22 C ATOM 462 O LYS A 32 14.356 -6.364 -6.204 1.00 33.23 O ATOM 463 CB LYS A 32 12.716 -5.574 -8.711 1.00 23.12 C ATOM 464 CG LYS A 32 12.368 -5.615 -10.189 1.00 2.43 C ATOM 465 CD LYS A 32 12.321 -7.041 -10.712 1.00 11.45 C ATOM 466 CE LYS A 32 11.324 -7.183 -11.852 1.00 24.43 C ATOM 467 NZ LYS A 32 10.008 -7.693 -11.377 1.00 61.42 N ATOM 0 H LYS A 32 14.839 -7.497 -8.410 1.00 32.31 H new ATOM 0 HA LYS A 32 14.625 -4.606 -8.922 1.00 70.54 H new ATOM 0 HB2 LYS A 32 12.314 -6.464 -8.227 1.00 23.12 H new ATOM 0 HB3 LYS A 32 12.226 -4.714 -8.255 1.00 23.12 H new ATOM 0 HG2 LYS A 32 11.402 -5.136 -10.350 1.00 2.43 H new ATOM 0 HG3 LYS A 32 13.105 -5.044 -10.753 1.00 2.43 H new ATOM 0 HD2 LYS A 32 13.312 -7.337 -11.055 1.00 11.45 H new ATOM 0 HD3 LYS A 32 12.049 -7.718 -9.902 1.00 11.45 H new ATOM 0 HE2 LYS A 32 11.186 -6.216 -12.336 1.00 24.43 H new ATOM 0 HE3 LYS A 32 11.726 -7.861 -12.604 1.00 24.43 H new ATOM 0 HZ1 LYS A 32 9.679 -8.449 -12.011 1.00 61.42 H new ATOM 0 HZ2 LYS A 32 10.109 -8.069 -10.413 1.00 61.42 H new ATOM 0 HZ3 LYS A 32 9.315 -6.917 -11.375 1.00 61.42 H new ATOM 481 N SER A 33 14.808 -4.178 -6.486 1.00 71.04 N ATOM 482 CA SER A 33 15.075 -3.938 -5.073 1.00 43.11 C ATOM 483 C SER A 33 15.137 -2.442 -4.778 1.00 75.33 C ATOM 484 O SER A 33 15.570 -1.650 -5.615 1.00 50.31 O ATOM 485 CB SER A 33 16.389 -4.605 -4.660 1.00 52.14 C ATOM 486 OG SER A 33 17.490 -3.738 -4.873 1.00 34.11 O ATOM 0 H SER A 33 14.904 -3.354 -7.079 1.00 71.04 H new ATOM 0 HA SER A 33 14.258 -4.371 -4.496 1.00 43.11 H new ATOM 0 HB2 SER A 33 16.342 -4.887 -3.608 1.00 52.14 H new ATOM 0 HB3 SER A 33 16.529 -5.523 -5.230 1.00 52.14 H new ATOM 0 HG SER A 33 18.317 -4.187 -4.600 1.00 34.11 H new ATOM 492 N CYS A 34 14.699 -2.063 -3.582 1.00 61.22 N ATOM 493 CA CYS A 34 14.703 -0.663 -3.174 1.00 73.54 C ATOM 494 C CYS A 34 14.137 -0.506 -1.766 1.00 1.21 C ATOM 495 O CYS A 34 13.935 -1.488 -1.053 1.00 4.10 O ATOM 496 CB CYS A 34 13.889 0.178 -4.160 1.00 4.54 C ATOM 497 SG CYS A 34 14.679 1.755 -4.619 1.00 33.24 S ATOM 0 H CYS A 34 14.337 -2.706 -2.878 1.00 61.22 H new ATOM 0 HA CYS A 34 15.735 -0.312 -3.173 1.00 73.54 H new ATOM 0 HB2 CYS A 34 13.716 -0.406 -5.064 1.00 4.54 H new ATOM 0 HB3 CYS A 34 12.912 0.386 -3.724 1.00 4.54 H new ATOM 0 HG CYS A 34 15.447 2.154 -3.649 1.00 33.24 H new ATOM 502 N GLY A 35 13.883 0.739 -1.372 1.00 20.51 N ATOM 503 CA GLY A 35 13.343 1.003 -0.051 1.00 22.30 C ATOM 504 C GLY A 35 13.296 2.483 0.271 1.00 43.23 C ATOM 505 O GLY A 35 12.236 3.106 0.203 1.00 4.42 O ATOM 0 H GLY A 35 14.042 1.569 -1.944 1.00 20.51 H new ATOM 0 HA2 GLY A 35 12.338 0.588 0.017 1.00 22.30 H new ATOM 0 HA3 GLY A 35 13.950 0.491 0.695 1.00 22.30 H new ATOM 509 N ILE A 36 14.447 3.047 0.623 1.00 53.31 N ATOM 510 CA ILE A 36 14.532 4.464 0.957 1.00 72.52 C ATOM 511 C ILE A 36 15.267 5.241 -0.129 1.00 41.24 C ATOM 512 O ILE A 36 16.257 4.765 -0.684 1.00 5.42 O ATOM 513 CB ILE A 36 15.247 4.683 2.303 1.00 63.51 C ATOM 514 CG1 ILE A 36 16.465 3.763 2.414 1.00 42.15 C ATOM 515 CG2 ILE A 36 14.288 4.441 3.458 1.00 35.34 C ATOM 516 CD1 ILE A 36 17.313 4.028 3.638 1.00 33.52 C ATOM 0 H ILE A 36 15.333 2.545 0.684 1.00 53.31 H new ATOM 0 HA ILE A 36 13.509 4.832 1.035 1.00 72.52 H new ATOM 0 HB ILE A 36 15.590 5.717 2.351 1.00 63.51 H new ATOM 0 HG12 ILE A 36 16.127 2.727 2.434 1.00 42.15 H new ATOM 0 HG13 ILE A 36 17.081 3.880 1.523 1.00 42.15 H new ATOM 0 HG21 ILE A 36 14.808 4.600 4.402 1.00 35.34 H new ATOM 0 HG22 ILE A 36 13.449 5.133 3.385 1.00 35.34 H new ATOM 0 HG23 ILE A 36 13.918 3.417 3.415 1.00 35.34 H new ATOM 0 HD11 ILE A 36 18.158 3.339 3.651 1.00 33.52 H new ATOM 0 HD12 ILE A 36 17.681 5.054 3.611 1.00 33.52 H new ATOM 0 HD13 ILE A 36 16.712 3.882 4.536 1.00 33.52 H new ATOM 528 N GLN A 37 14.776 6.440 -0.426 1.00 43.15 N ATOM 529 CA GLN A 37 15.388 7.284 -1.446 1.00 1.32 C ATOM 530 C GLN A 37 16.883 7.448 -1.192 1.00 60.50 C ATOM 531 O GLN A 37 17.657 7.683 -2.119 1.00 71.13 O ATOM 532 CB GLN A 37 14.711 8.656 -1.476 1.00 21.31 C ATOM 533 CG GLN A 37 15.139 9.520 -2.651 1.00 71.32 C ATOM 534 CD GLN A 37 14.077 9.605 -3.730 1.00 22.20 C ATOM 535 OE1 GLN A 37 13.868 8.504 -4.443 1.00 42.41 O flip ATOM 536 NE2 GLN A 37 13.452 10.648 -3.921 1.00 15.23 N flip ATOM 0 H GLN A 37 13.957 6.849 0.025 1.00 43.15 H new ATOM 0 HA GLN A 37 15.253 6.798 -2.412 1.00 1.32 H new ATOM 0 HB2 GLN A 37 13.630 8.518 -1.512 1.00 21.31 H new ATOM 0 HB3 GLN A 37 14.934 9.183 -0.548 1.00 21.31 H new ATOM 0 HG2 GLN A 37 15.370 10.524 -2.294 1.00 71.32 H new ATOM 0 HG3 GLN A 37 16.056 9.115 -3.080 1.00 71.32 H new ATOM 0 HE21 GLN A 37 13.645 11.470 -3.349 1.00 15.23 H new ATOM 0 HE22 GLN A 37 12.741 10.690 -4.651 1.00 15.23 H new ATOM 545 N GLU A 38 17.281 7.321 0.070 1.00 44.30 N ATOM 546 CA GLU A 38 18.684 7.456 0.445 1.00 41.43 C ATOM 547 C GLU A 38 19.509 6.298 -0.109 1.00 42.22 C ATOM 548 O GLU A 38 20.641 6.487 -0.554 1.00 30.53 O ATOM 549 CB GLU A 38 18.825 7.515 1.967 1.00 30.01 C ATOM 550 CG GLU A 38 18.524 8.884 2.554 1.00 63.10 C ATOM 551 CD GLU A 38 17.066 9.274 2.407 1.00 45.44 C ATOM 552 OE1 GLU A 38 16.197 8.393 2.574 1.00 2.41 O ATOM 553 OE2 GLU A 38 16.795 10.460 2.124 1.00 72.23 O ATOM 0 H GLU A 38 16.653 7.125 0.849 1.00 44.30 H new ATOM 0 HA GLU A 38 19.060 8.385 0.017 1.00 41.43 H new ATOM 0 HB2 GLU A 38 18.154 6.782 2.414 1.00 30.01 H new ATOM 0 HB3 GLU A 38 19.840 7.227 2.241 1.00 30.01 H new ATOM 0 HG2 GLU A 38 18.793 8.889 3.610 1.00 63.10 H new ATOM 0 HG3 GLU A 38 19.147 9.631 2.063 1.00 63.10 H new ATOM 560 N GLU A 39 18.933 5.101 -0.078 1.00 30.43 N ATOM 561 CA GLU A 39 19.616 3.912 -0.575 1.00 74.11 C ATOM 562 C GLU A 39 19.401 3.750 -2.077 1.00 45.23 C ATOM 563 O GLU A 39 20.254 3.209 -2.783 1.00 13.51 O ATOM 564 CB GLU A 39 19.117 2.666 0.159 1.00 22.43 C ATOM 565 CG GLU A 39 17.959 1.971 -0.537 1.00 63.14 C ATOM 566 CD GLU A 39 17.391 0.825 0.277 1.00 23.20 C ATOM 567 OE1 GLU A 39 17.786 0.679 1.453 1.00 71.13 O ATOM 568 OE2 GLU A 39 16.551 0.074 -0.262 1.00 65.21 O ATOM 0 H GLU A 39 17.996 4.928 0.286 1.00 30.43 H new ATOM 0 HA GLU A 39 20.683 4.032 -0.388 1.00 74.11 H new ATOM 0 HB2 GLU A 39 19.942 1.962 0.264 1.00 22.43 H new ATOM 0 HB3 GLU A 39 18.808 2.947 1.166 1.00 22.43 H new ATOM 0 HG2 GLU A 39 17.170 2.697 -0.734 1.00 63.14 H new ATOM 0 HG3 GLU A 39 18.294 1.594 -1.503 1.00 63.14 H new ATOM 575 N CYS A 40 18.257 4.222 -2.560 1.00 50.20 N ATOM 576 CA CYS A 40 17.928 4.130 -3.977 1.00 43.14 C ATOM 577 C CYS A 40 18.706 5.165 -4.785 1.00 3.34 C ATOM 578 O CYS A 40 19.182 4.880 -5.883 1.00 1.11 O ATOM 579 CB CYS A 40 16.426 4.327 -4.188 1.00 12.32 C ATOM 580 SG CYS A 40 15.521 2.793 -4.572 1.00 1.44 S ATOM 0 H CYS A 40 17.541 4.673 -1.990 1.00 50.20 H new ATOM 0 HA CYS A 40 18.210 3.136 -4.325 1.00 43.14 H new ATOM 0 HB2 CYS A 40 15.999 4.773 -3.289 1.00 12.32 H new ATOM 0 HB3 CYS A 40 16.274 5.039 -5.000 1.00 12.32 H new ATOM 0 HG CYS A 40 14.260 2.953 -4.298 1.00 1.44 H new ATOM 585 N GLU A 41 18.831 6.368 -4.231 1.00 71.50 N ATOM 586 CA GLU A 41 19.551 7.445 -4.900 1.00 74.00 C ATOM 587 C GLU A 41 21.059 7.237 -4.798 1.00 51.11 C ATOM 588 O GLU A 41 21.841 7.988 -5.382 1.00 14.24 O ATOM 589 CB GLU A 41 19.169 8.797 -4.293 1.00 72.24 C ATOM 590 CG GLU A 41 19.472 9.978 -5.200 1.00 12.01 C ATOM 591 CD GLU A 41 20.820 10.608 -4.907 1.00 33.24 C ATOM 592 OE1 GLU A 41 21.151 10.774 -3.714 1.00 72.22 O ATOM 593 OE2 GLU A 41 21.544 10.934 -5.871 1.00 15.34 O ATOM 0 H GLU A 41 18.443 6.620 -3.322 1.00 71.50 H new ATOM 0 HA GLU A 41 19.271 7.435 -5.953 1.00 74.00 H new ATOM 0 HB2 GLU A 41 18.104 8.793 -4.059 1.00 72.24 H new ATOM 0 HB3 GLU A 41 19.702 8.927 -3.351 1.00 72.24 H new ATOM 0 HG2 GLU A 41 19.447 9.649 -6.239 1.00 12.01 H new ATOM 0 HG3 GLU A 41 18.691 10.730 -5.085 1.00 12.01 H new ATOM 600 N ASP A 42 21.460 6.213 -4.053 1.00 12.34 N ATOM 601 CA ASP A 42 22.874 5.905 -3.874 1.00 10.32 C ATOM 602 C ASP A 42 23.586 5.821 -5.220 1.00 43.01 C ATOM 603 O ASP A 42 24.777 6.116 -5.323 1.00 55.22 O ATOM 604 CB ASP A 42 23.039 4.589 -3.112 1.00 51.22 C ATOM 605 CG ASP A 42 24.436 4.418 -2.548 1.00 74.43 C ATOM 606 OD1 ASP A 42 24.945 5.372 -1.924 1.00 43.14 O ATOM 607 OD2 ASP A 42 25.019 3.329 -2.730 1.00 72.31 O ATOM 0 H ASP A 42 20.826 5.582 -3.563 1.00 12.34 H new ATOM 0 HA ASP A 42 23.325 6.710 -3.294 1.00 10.32 H new ATOM 0 HB2 ASP A 42 22.315 4.550 -2.298 1.00 51.22 H new ATOM 0 HB3 ASP A 42 22.815 3.756 -3.778 1.00 51.22 H new ATOM 612 N ALA A 43 22.850 5.415 -6.249 1.00 53.21 N ATOM 613 CA ALA A 43 23.411 5.293 -7.589 1.00 35.20 C ATOM 614 C ALA A 43 23.849 6.651 -8.127 1.00 23.35 C ATOM 615 O ALA A 43 23.128 7.640 -8.001 1.00 61.24 O ATOM 616 CB ALA A 43 22.399 4.653 -8.528 1.00 72.02 C ATOM 0 H ALA A 43 21.864 5.165 -6.180 1.00 53.21 H new ATOM 0 HA ALA A 43 24.292 4.654 -7.530 1.00 35.20 H new ATOM 0 HB1 ALA A 43 22.831 4.568 -9.525 1.00 72.02 H new ATOM 0 HB2 ALA A 43 22.138 3.661 -8.160 1.00 72.02 H new ATOM 0 HB3 ALA A 43 21.502 5.271 -8.573 1.00 72.02 H new ATOM 622 N GLU A 44 25.036 6.690 -8.724 1.00 40.23 N ATOM 623 CA GLU A 44 25.570 7.928 -9.279 1.00 44.31 C ATOM 624 C GLU A 44 25.222 8.056 -10.759 1.00 65.35 C ATOM 625 O GLU A 44 25.477 7.147 -11.549 1.00 21.13 O ATOM 626 CB GLU A 44 27.088 7.983 -9.094 1.00 63.21 C ATOM 627 CG GLU A 44 27.834 6.903 -9.859 1.00 71.55 C ATOM 628 CD GLU A 44 29.293 6.804 -9.457 1.00 74.12 C ATOM 629 OE1 GLU A 44 29.801 7.758 -8.832 1.00 13.13 O ATOM 630 OE2 GLU A 44 29.926 5.774 -9.768 1.00 30.42 O ATOM 0 H GLU A 44 25.645 5.880 -8.836 1.00 40.23 H new ATOM 0 HA GLU A 44 25.115 8.762 -8.744 1.00 44.31 H new ATOM 0 HB2 GLU A 44 27.450 8.960 -9.416 1.00 63.21 H new ATOM 0 HB3 GLU A 44 27.320 7.891 -8.033 1.00 63.21 H new ATOM 0 HG2 GLU A 44 27.348 5.942 -9.689 1.00 71.55 H new ATOM 0 HG3 GLU A 44 27.769 7.109 -10.927 1.00 71.55 H new ATOM 637 N GLY A 45 24.638 9.191 -11.128 1.00 53.55 N ATOM 638 CA GLY A 45 24.263 9.418 -12.512 1.00 64.32 C ATOM 639 C GLY A 45 22.858 8.940 -12.818 1.00 53.11 C ATOM 640 O GLY A 45 22.085 9.641 -13.472 1.00 24.44 O ATOM 0 H GLY A 45 24.417 9.958 -10.493 1.00 53.55 H new ATOM 0 HA2 GLY A 45 24.338 10.482 -12.736 1.00 64.32 H new ATOM 0 HA3 GLY A 45 24.968 8.904 -13.165 1.00 64.32 H new ATOM 644 N ALA A 46 22.525 7.743 -12.346 1.00 2.12 N ATOM 645 CA ALA A 46 21.203 7.173 -12.572 1.00 61.23 C ATOM 646 C ALA A 46 20.149 7.879 -11.726 1.00 74.54 C ATOM 647 O ALA A 46 20.466 8.508 -10.717 1.00 2.41 O ATOM 648 CB ALA A 46 21.213 5.682 -12.271 1.00 31.52 C ATOM 0 H ALA A 46 23.153 7.149 -11.804 1.00 2.12 H new ATOM 0 HA ALA A 46 20.946 7.319 -13.621 1.00 61.23 H new ATOM 0 HB1 ALA A 46 20.219 5.269 -12.444 1.00 31.52 H new ATOM 0 HB2 ALA A 46 21.931 5.184 -12.922 1.00 31.52 H new ATOM 0 HB3 ALA A 46 21.496 5.523 -11.230 1.00 31.52 H new ATOM 654 N THR A 47 18.891 7.770 -12.145 1.00 3.23 N ATOM 655 CA THR A 47 17.790 8.399 -11.427 1.00 1.42 C ATOM 656 C THR A 47 16.753 7.368 -10.997 1.00 51.05 C ATOM 657 O THR A 47 16.450 6.432 -11.738 1.00 22.04 O ATOM 658 CB THR A 47 17.101 9.476 -12.286 1.00 44.24 C ATOM 659 OG1 THR A 47 18.079 10.197 -13.045 1.00 21.21 O ATOM 660 CG2 THR A 47 16.315 10.443 -11.415 1.00 13.24 C ATOM 0 H THR A 47 18.610 7.252 -12.978 1.00 3.23 H new ATOM 0 HA THR A 47 18.218 8.870 -10.542 1.00 1.42 H new ATOM 0 HB THR A 47 16.408 8.979 -12.965 1.00 44.24 H new ATOM 0 HG1 THR A 47 17.633 10.879 -13.590 1.00 21.21 H new ATOM 0 HG21 THR A 47 15.838 11.194 -12.044 1.00 13.24 H new ATOM 0 HG22 THR A 47 15.552 9.896 -10.861 1.00 13.24 H new ATOM 0 HG23 THR A 47 16.991 10.933 -10.714 1.00 13.24 H new ATOM 668 N VAL A 48 16.210 7.546 -9.797 1.00 62.51 N ATOM 669 CA VAL A 48 15.205 6.631 -9.270 1.00 33.32 C ATOM 670 C VAL A 48 13.837 7.300 -9.199 1.00 34.44 C ATOM 671 O VAL A 48 13.683 8.362 -8.594 1.00 63.03 O ATOM 672 CB VAL A 48 15.589 6.122 -7.868 1.00 11.03 C ATOM 673 CG1 VAL A 48 15.894 7.289 -6.941 1.00 54.10 C ATOM 674 CG2 VAL A 48 14.481 5.251 -7.295 1.00 52.22 C ATOM 0 H VAL A 48 16.449 8.315 -9.172 1.00 62.51 H new ATOM 0 HA VAL A 48 15.157 5.784 -9.955 1.00 33.32 H new ATOM 0 HB VAL A 48 16.489 5.514 -7.956 1.00 11.03 H new ATOM 0 HG11 VAL A 48 16.163 6.910 -5.955 1.00 54.10 H new ATOM 0 HG12 VAL A 48 16.724 7.868 -7.346 1.00 54.10 H new ATOM 0 HG13 VAL A 48 15.014 7.926 -6.857 1.00 54.10 H new ATOM 0 HG21 VAL A 48 14.770 4.900 -6.304 1.00 52.22 H new ATOM 0 HG22 VAL A 48 13.562 5.833 -7.221 1.00 52.22 H new ATOM 0 HG23 VAL A 48 14.316 4.395 -7.949 1.00 52.22 H new ATOM 684 N LEU A 49 12.844 6.671 -9.819 1.00 1.12 N ATOM 685 CA LEU A 49 11.486 7.205 -9.826 1.00 24.13 C ATOM 686 C LEU A 49 10.484 6.150 -9.368 1.00 63.11 C ATOM 687 O LEU A 49 10.516 5.008 -9.827 1.00 30.41 O ATOM 688 CB LEU A 49 11.119 7.700 -11.226 1.00 3.34 C ATOM 689 CG LEU A 49 9.646 8.043 -11.451 1.00 44.33 C ATOM 690 CD1 LEU A 49 9.514 9.360 -12.201 1.00 33.12 C ATOM 691 CD2 LEU A 49 8.948 6.924 -12.209 1.00 20.51 C ATOM 0 H LEU A 49 12.954 5.791 -10.323 1.00 1.12 H new ATOM 0 HA LEU A 49 11.447 8.043 -9.130 1.00 24.13 H new ATOM 0 HB2 LEU A 49 11.715 8.586 -11.444 1.00 3.34 H new ATOM 0 HB3 LEU A 49 11.408 6.936 -11.947 1.00 3.34 H new ATOM 0 HG LEU A 49 9.165 8.152 -10.479 1.00 44.33 H new ATOM 0 HD11 LEU A 49 8.459 9.588 -12.352 1.00 33.12 H new ATOM 0 HD12 LEU A 49 9.978 10.157 -11.621 1.00 33.12 H new ATOM 0 HD13 LEU A 49 10.010 9.279 -13.168 1.00 33.12 H new ATOM 0 HD21 LEU A 49 7.901 7.185 -12.360 1.00 20.51 H new ATOM 0 HD22 LEU A 49 9.430 6.784 -13.176 1.00 20.51 H new ATOM 0 HD23 LEU A 49 9.012 6.000 -11.634 1.00 20.51 H new ATOM 703 N CYS A 50 9.594 6.541 -8.463 1.00 32.35 N ATOM 704 CA CYS A 50 8.580 5.630 -7.943 1.00 43.35 C ATOM 705 C CYS A 50 7.181 6.206 -8.138 1.00 53.23 C ATOM 706 O CYS A 50 6.987 7.422 -8.105 1.00 63.11 O ATOM 707 CB CYS A 50 8.827 5.352 -6.459 1.00 60.45 C ATOM 708 SG CYS A 50 8.104 3.788 -5.866 1.00 41.33 S ATOM 0 H CYS A 50 9.554 7.483 -8.074 1.00 32.35 H new ATOM 0 HA CYS A 50 8.649 4.694 -8.497 1.00 43.35 H new ATOM 0 HB2 CYS A 50 9.902 5.335 -6.277 1.00 60.45 H new ATOM 0 HB3 CYS A 50 8.417 6.175 -5.873 1.00 60.45 H new ATOM 713 N CYS A 51 6.207 5.325 -8.341 1.00 63.24 N ATOM 714 CA CYS A 51 4.825 5.744 -8.542 1.00 23.51 C ATOM 715 C CYS A 51 4.016 5.580 -7.259 1.00 11.55 C ATOM 716 O CYS A 51 4.295 4.720 -6.424 1.00 25.41 O ATOM 717 CB CYS A 51 4.183 4.933 -9.669 1.00 62.23 C ATOM 718 SG CYS A 51 5.326 4.505 -11.022 1.00 23.24 S ATOM 0 H CYS A 51 6.350 4.315 -8.371 1.00 63.24 H new ATOM 0 HA CYS A 51 4.827 6.798 -8.818 1.00 23.51 H new ATOM 0 HB2 CYS A 51 3.771 4.014 -9.252 1.00 62.23 H new ATOM 0 HB3 CYS A 51 3.347 5.500 -10.079 1.00 62.23 H new ATOM 723 N PRO A 52 2.988 6.426 -7.096 1.00 52.41 N ATOM 724 CA PRO A 52 2.116 6.396 -5.918 1.00 21.21 C ATOM 725 C PRO A 52 1.229 5.156 -5.885 1.00 54.24 C ATOM 726 O PRO A 52 0.549 4.895 -4.894 1.00 31.14 O ATOM 727 CB PRO A 52 1.265 7.659 -6.073 1.00 62.33 C ATOM 728 CG PRO A 52 1.259 7.933 -7.538 1.00 13.25 C ATOM 729 CD PRO A 52 2.597 7.478 -8.050 1.00 72.43 C ATOM 0 HA PRO A 52 2.686 6.362 -4.990 1.00 21.21 H new ATOM 0 HB2 PRO A 52 0.254 7.505 -5.695 1.00 62.33 H new ATOM 0 HB3 PRO A 52 1.690 8.494 -5.516 1.00 62.33 H new ATOM 0 HG2 PRO A 52 0.449 7.396 -8.032 1.00 13.25 H new ATOM 0 HG3 PRO A 52 1.106 8.994 -7.736 1.00 13.25 H new ATOM 0 HD2 PRO A 52 2.528 7.092 -9.067 1.00 72.43 H new ATOM 0 HD3 PRO A 52 3.319 8.294 -8.067 1.00 72.43 H new ATOM 737 N GLU A 53 1.241 4.396 -6.976 1.00 52.53 N ATOM 738 CA GLU A 53 0.436 3.184 -7.071 1.00 51.31 C ATOM 739 C GLU A 53 1.224 1.969 -6.593 1.00 25.35 C ATOM 740 O GLU A 53 2.371 2.090 -6.160 1.00 71.14 O ATOM 741 CB GLU A 53 -0.032 2.968 -8.512 1.00 20.42 C ATOM 742 CG GLU A 53 -1.194 3.859 -8.915 1.00 15.12 C ATOM 743 CD GLU A 53 -0.761 5.279 -9.225 1.00 62.42 C ATOM 744 OE1 GLU A 53 0.274 5.447 -9.905 1.00 13.05 O ATOM 745 OE2 GLU A 53 -1.455 6.220 -8.789 1.00 42.41 O ATOM 0 H GLU A 53 1.799 4.598 -7.806 1.00 52.53 H new ATOM 0 HA GLU A 53 -0.436 3.306 -6.428 1.00 51.31 H new ATOM 0 HB2 GLU A 53 0.804 3.148 -9.187 1.00 20.42 H new ATOM 0 HB3 GLU A 53 -0.324 1.925 -8.638 1.00 20.42 H new ATOM 0 HG2 GLU A 53 -1.686 3.434 -9.790 1.00 15.12 H new ATOM 0 HG3 GLU A 53 -1.930 3.875 -8.111 1.00 15.12 H new ATOM 752 N ASP A 54 0.602 0.798 -6.672 1.00 54.15 N ATOM 753 CA ASP A 54 1.244 -0.440 -6.248 1.00 61.43 C ATOM 754 C ASP A 54 1.870 -1.163 -7.437 1.00 42.43 C ATOM 755 O ASP A 54 1.331 -1.142 -8.544 1.00 52.55 O ATOM 756 CB ASP A 54 0.232 -1.354 -5.556 1.00 74.33 C ATOM 757 CG ASP A 54 -1.098 -1.401 -6.283 1.00 41.24 C ATOM 758 OD1 ASP A 54 -1.204 -2.147 -7.279 1.00 25.44 O ATOM 759 OD2 ASP A 54 -2.033 -0.690 -5.858 1.00 4.03 O ATOM 0 H ASP A 54 -0.347 0.680 -7.026 1.00 54.15 H new ATOM 0 HA ASP A 54 2.035 -0.186 -5.542 1.00 61.43 H new ATOM 0 HB2 ASP A 54 0.643 -2.362 -5.490 1.00 74.33 H new ATOM 0 HB3 ASP A 54 0.073 -1.007 -4.535 1.00 74.33 H new ATOM 764 N LEU A 55 3.012 -1.800 -7.201 1.00 74.04 N ATOM 765 CA LEU A 55 3.713 -2.528 -8.253 1.00 74.42 C ATOM 766 C LEU A 55 4.090 -1.598 -9.401 1.00 41.23 C ATOM 767 O LEU A 55 3.619 -1.760 -10.527 1.00 74.42 O ATOM 768 CB LEU A 55 2.843 -3.673 -8.775 1.00 33.54 C ATOM 769 CG LEU A 55 2.381 -4.694 -7.733 1.00 41.43 C ATOM 770 CD1 LEU A 55 1.649 -5.846 -8.403 1.00 61.21 C ATOM 771 CD2 LEU A 55 3.566 -5.208 -6.929 1.00 11.34 C ATOM 0 H LEU A 55 3.472 -1.827 -6.291 1.00 74.04 H new ATOM 0 HA LEU A 55 4.628 -2.939 -7.827 1.00 74.42 H new ATOM 0 HB2 LEU A 55 1.961 -3.245 -9.251 1.00 33.54 H new ATOM 0 HB3 LEU A 55 3.399 -4.201 -9.550 1.00 33.54 H new ATOM 0 HG LEU A 55 1.690 -4.200 -7.049 1.00 41.43 H new ATOM 0 HD11 LEU A 55 1.328 -6.562 -7.647 1.00 61.21 H new ATOM 0 HD12 LEU A 55 0.777 -5.464 -8.934 1.00 61.21 H new ATOM 0 HD13 LEU A 55 2.316 -6.339 -9.110 1.00 61.21 H new ATOM 0 HD21 LEU A 55 3.219 -5.933 -6.193 1.00 11.34 H new ATOM 0 HD22 LEU A 55 4.281 -5.685 -7.599 1.00 11.34 H new ATOM 0 HD23 LEU A 55 4.048 -4.374 -6.418 1.00 11.34 H new ATOM 783 N CYS A 56 4.945 -0.623 -9.110 1.00 20.34 N ATOM 784 CA CYS A 56 5.388 0.333 -10.117 1.00 23.21 C ATOM 785 C CYS A 56 6.769 -0.039 -10.650 1.00 72.51 C ATOM 786 O CYS A 56 7.165 0.393 -11.731 1.00 43.51 O ATOM 787 CB CYS A 56 5.420 1.746 -9.530 1.00 71.54 C ATOM 788 SG CYS A 56 5.959 3.027 -10.707 1.00 43.21 S ATOM 0 H CYS A 56 5.345 -0.474 -8.184 1.00 20.34 H new ATOM 0 HA CYS A 56 4.679 0.306 -10.944 1.00 23.21 H new ATOM 0 HB2 CYS A 56 4.425 1.999 -9.165 1.00 71.54 H new ATOM 0 HB3 CYS A 56 6.088 1.755 -8.668 1.00 71.54 H new ATOM 793 N ASN A 57 7.496 -0.845 -9.883 1.00 33.51 N ATOM 794 CA ASN A 57 8.832 -1.276 -10.277 1.00 70.25 C ATOM 795 C ASN A 57 8.846 -2.764 -10.617 1.00 1.44 C ATOM 796 O ASN A 57 8.964 -3.143 -11.781 1.00 65.33 O ATOM 797 CB ASN A 57 9.835 -0.987 -9.158 1.00 73.35 C ATOM 798 CG ASN A 57 9.677 -1.932 -7.982 1.00 54.45 C ATOM 799 OD1 ASN A 57 8.608 -2.013 -7.377 1.00 31.02 O ATOM 800 ND2 ASN A 57 10.743 -2.651 -7.654 1.00 5.11 N ATOM 0 H ASN A 57 7.182 -1.213 -8.985 1.00 33.51 H new ATOM 0 HA ASN A 57 9.120 -0.716 -11.167 1.00 70.25 H new ATOM 0 HB2 ASN A 57 10.848 -1.068 -9.552 1.00 73.35 H new ATOM 0 HB3 ASN A 57 9.707 0.040 -8.815 1.00 73.35 H new ATOM 0 HD21 ASN A 57 10.697 -3.304 -6.872 1.00 5.11 H new ATOM 0 HD22 ASN A 57 11.609 -2.551 -8.184 1.00 5.11 H new