USER MOD reduce.3.24.130724 H: found=0, std=0, add=409, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 408 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 14 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 30 LYS NZ :NH3+ 178:sc= -0.0102 (180deg=-0.0222) USER MOD Single : A 1 VAL N :NH3+ 144:sc= 0.0092 (180deg=-0.197) USER MOD Single : A 5 TYR OH : rot 5:sc= 1.26 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 ASN : amide:sc= 0.656 K(o=0.66,f=-5.9!) USER MOD Single : A 12 CYS SG : rot 180:sc= 0 USER MOD Single : A 15 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0.148 USER MOD Single : A 25 THR OG1 : rot 89:sc= 1.24 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 75:sc= 0.381 USER MOD Single : A 34 SER OG : rot 4:sc= 0.997 USER MOD Single : A 36 HIS : no HD1:sc= -0.56 X(o=-0.56,f=-0.11) USER MOD Single : A 40 LYS NZ :NH3+ 162:sc= -0.0568 (180deg=-0.374) USER MOD Single : A 43 HIS :FLIP no HD1:sc= -1.08 F(o=-2,f=-1.1) USER MOD Single : A 50 ASN : amide:sc= 0.526 K(o=0.53,f=-4.9!) USER MOD Single : A 55 ASN : amide:sc= -0.259 X(o=-0.26,f=-0.76) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 6.480 12.284 5.548 1.00 0.00 N ATOM 2 CA VAL A 1 6.134 10.967 4.948 1.00 0.00 C ATOM 3 C VAL A 1 5.001 10.343 5.709 1.00 0.00 C ATOM 4 O VAL A 1 4.718 10.723 6.846 1.00 0.00 O ATOM 5 CB VAL A 1 7.333 10.003 4.933 1.00 0.00 C ATOM 6 CG1 VAL A 1 8.359 10.435 3.864 1.00 0.00 C ATOM 7 CG2 VAL A 1 7.989 9.866 6.325 1.00 0.00 C ATOM 0 H1 VAL A 1 7.508 12.430 5.495 1.00 0.00 H new ATOM 0 H2 VAL A 1 5.995 13.042 5.026 1.00 0.00 H new ATOM 0 H3 VAL A 1 6.178 12.302 6.543 1.00 0.00 H new ATOM 0 HA VAL A 1 5.839 11.148 3.914 1.00 0.00 H new ATOM 0 HB VAL A 1 6.958 9.014 4.669 1.00 0.00 H new ATOM 0 HG11 VAL A 1 9.201 9.743 3.867 1.00 0.00 H new ATOM 0 HG12 VAL A 1 7.886 10.428 2.882 1.00 0.00 H new ATOM 0 HG13 VAL A 1 8.716 11.440 4.087 1.00 0.00 H new ATOM 0 HG21 VAL A 1 8.830 9.176 6.264 1.00 0.00 H new ATOM 0 HG22 VAL A 1 8.343 10.842 6.658 1.00 0.00 H new ATOM 0 HG23 VAL A 1 7.257 9.484 7.036 1.00 0.00 H new ATOM 19 N ARG A 2 4.347 9.326 5.099 1.00 0.00 N ATOM 20 CA ARG A 2 3.476 8.433 5.824 1.00 0.00 C ATOM 21 C ARG A 2 4.209 7.121 5.894 1.00 0.00 C ATOM 22 O ARG A 2 5.131 6.863 5.114 1.00 0.00 O ATOM 23 CB ARG A 2 2.061 8.201 5.209 1.00 0.00 C ATOM 24 CG ARG A 2 1.998 7.593 3.786 1.00 0.00 C ATOM 25 CD ARG A 2 1.857 8.591 2.619 1.00 0.00 C ATOM 26 NE ARG A 2 0.414 8.827 2.237 1.00 0.00 N ATOM 27 CZ ARG A 2 -0.328 9.893 2.663 1.00 0.00 C ATOM 28 NH1 ARG A 2 0.107 10.719 3.652 1.00 0.00 N ATOM 29 NH2 ARG A 2 -1.534 10.139 2.062 1.00 0.00 N ATOM 0 H ARG A 2 4.421 9.121 4.102 1.00 0.00 H new ATOM 0 HA ARG A 2 3.267 8.890 6.791 1.00 0.00 H new ATOM 0 HB2 ARG A 2 1.504 7.547 5.880 1.00 0.00 H new ATOM 0 HB3 ARG A 2 1.540 9.158 5.191 1.00 0.00 H new ATOM 0 HG2 ARG A 2 2.902 7.005 3.625 1.00 0.00 H new ATOM 0 HG3 ARG A 2 1.157 6.901 3.747 1.00 0.00 H new ATOM 0 HD2 ARG A 2 2.317 9.539 2.897 1.00 0.00 H new ATOM 0 HD3 ARG A 2 2.403 8.214 1.754 1.00 0.00 H new ATOM 0 HE ARG A 2 -0.035 8.148 1.622 1.00 0.00 H new ATOM 0 HH11 ARG A 2 1.009 10.551 4.097 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -0.469 11.507 3.949 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -1.863 9.532 1.311 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -2.103 10.929 2.365 1.00 0.00 H new ATOM 43 N ASP A 3 3.771 6.244 6.824 1.00 0.00 N ATOM 44 CA ASP A 3 4.074 4.844 6.795 1.00 0.00 C ATOM 45 C ASP A 3 2.651 4.421 6.860 1.00 0.00 C ATOM 46 O ASP A 3 1.898 5.011 7.638 1.00 0.00 O ATOM 47 CB ASP A 3 4.805 4.243 8.026 1.00 0.00 C ATOM 48 CG ASP A 3 6.113 4.972 8.332 1.00 0.00 C ATOM 49 OD1 ASP A 3 6.790 5.426 7.373 1.00 0.00 O ATOM 50 OD2 ASP A 3 6.455 5.077 9.539 1.00 0.00 O ATOM 0 H ASP A 3 3.191 6.519 7.617 1.00 0.00 H new ATOM 0 HA ASP A 3 4.738 4.554 5.981 1.00 0.00 H new ATOM 0 HB2 ASP A 3 4.150 4.294 8.896 1.00 0.00 H new ATOM 0 HB3 ASP A 3 5.012 3.188 7.844 1.00 0.00 H new ATOM 55 N GLY A 4 2.205 3.497 6.001 1.00 0.00 N ATOM 56 CA GLY A 4 0.863 3.023 6.097 1.00 0.00 C ATOM 57 C GLY A 4 0.954 1.770 5.327 1.00 0.00 C ATOM 58 O GLY A 4 2.037 1.415 4.862 1.00 0.00 O ATOM 0 H GLY A 4 2.760 3.083 5.252 1.00 0.00 H new ATOM 0 HA2 GLY A 4 0.559 2.852 7.130 1.00 0.00 H new ATOM 0 HA3 GLY A 4 0.147 3.722 5.665 1.00 0.00 H new ATOM 62 N TYR A 5 -0.198 1.126 5.089 1.00 0.00 N ATOM 63 CA TYR A 5 -0.297 0.088 4.102 1.00 0.00 C ATOM 64 C TYR A 5 -0.516 0.834 2.821 1.00 0.00 C ATOM 65 O TYR A 5 -1.259 1.812 2.820 1.00 0.00 O ATOM 66 CB TYR A 5 -1.492 -0.839 4.396 1.00 0.00 C ATOM 67 CG TYR A 5 -1.084 -1.876 5.404 1.00 0.00 C ATOM 68 CD1 TYR A 5 -0.298 -2.977 5.024 1.00 0.00 C ATOM 69 CD2 TYR A 5 -1.469 -1.756 6.750 1.00 0.00 C ATOM 70 CE1 TYR A 5 0.107 -3.929 5.967 1.00 0.00 C ATOM 71 CE2 TYR A 5 -1.085 -2.716 7.691 1.00 0.00 C ATOM 72 CZ TYR A 5 -0.297 -3.807 7.303 1.00 0.00 C ATOM 73 OH TYR A 5 0.064 -4.777 8.262 1.00 0.00 O ATOM 0 H TYR A 5 -1.070 1.322 5.581 1.00 0.00 H new ATOM 0 HA TYR A 5 0.585 -0.552 4.078 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -2.332 -0.258 4.776 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -1.827 -1.321 3.478 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -0.003 -3.090 3.991 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -2.068 -0.913 7.061 1.00 0.00 H new ATOM 0 HE1 TYR A 5 0.731 -4.757 5.665 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -1.397 -2.616 8.720 1.00 0.00 H new ATOM 0 HH TYR A 5 0.670 -5.431 7.854 1.00 0.00 H new ATOM 83 N ILE A 6 0.145 0.451 1.710 1.00 0.00 N ATOM 84 CA ILE A 6 0.019 1.157 0.461 1.00 0.00 C ATOM 85 C ILE A 6 -1.127 0.529 -0.293 1.00 0.00 C ATOM 86 O ILE A 6 -1.324 -0.703 -0.226 1.00 0.00 O ATOM 87 CB ILE A 6 1.308 1.241 -0.365 1.00 0.00 C ATOM 88 CG1 ILE A 6 1.153 2.195 -1.580 1.00 0.00 C ATOM 89 CG2 ILE A 6 1.801 -0.163 -0.754 1.00 0.00 C ATOM 90 CD1 ILE A 6 2.415 2.406 -2.425 1.00 0.00 C ATOM 0 H ILE A 6 0.772 -0.353 1.674 1.00 0.00 H new ATOM 0 HA ILE A 6 -0.189 2.206 0.672 1.00 0.00 H new ATOM 0 HB ILE A 6 2.085 1.684 0.258 1.00 0.00 H new ATOM 0 HG12 ILE A 6 0.366 1.806 -2.226 1.00 0.00 H new ATOM 0 HG13 ILE A 6 0.815 3.165 -1.216 1.00 0.00 H new ATOM 0 HG21 ILE A 6 2.717 -0.078 -1.339 1.00 0.00 H new ATOM 0 HG22 ILE A 6 2.000 -0.742 0.148 1.00 0.00 H new ATOM 0 HG23 ILE A 6 1.037 -0.666 -1.347 1.00 0.00 H new ATOM 0 HD11 ILE A 6 2.194 3.089 -3.245 1.00 0.00 H new ATOM 0 HD12 ILE A 6 3.203 2.830 -1.803 1.00 0.00 H new ATOM 0 HD13 ILE A 6 2.747 1.449 -2.829 1.00 0.00 H new ATOM 102 N ALA A 7 -1.881 1.422 -0.986 1.00 0.00 N ATOM 103 CA ALA A 7 -2.980 1.176 -1.867 1.00 0.00 C ATOM 104 C ALA A 7 -2.763 2.047 -3.067 1.00 0.00 C ATOM 105 O ALA A 7 -1.684 2.029 -3.651 1.00 0.00 O ATOM 106 CB ALA A 7 -4.338 1.567 -1.278 1.00 0.00 C ATOM 0 H ALA A 7 -1.690 2.421 -0.912 1.00 0.00 H new ATOM 0 HA ALA A 7 -3.008 0.107 -2.079 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -5.124 1.352 -2.002 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -4.518 0.996 -0.367 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -4.341 2.632 -1.045 1.00 0.00 H new ATOM 112 N GLN A 8 -3.797 2.820 -3.476 1.00 0.00 N ATOM 113 CA GLN A 8 -3.797 3.576 -4.690 1.00 0.00 C ATOM 114 C GLN A 8 -4.763 4.656 -4.330 1.00 0.00 C ATOM 115 O GLN A 8 -5.467 4.472 -3.334 1.00 0.00 O ATOM 116 CB GLN A 8 -4.446 2.819 -5.878 1.00 0.00 C ATOM 117 CG GLN A 8 -3.610 1.651 -6.419 1.00 0.00 C ATOM 118 CD GLN A 8 -4.488 0.937 -7.441 1.00 0.00 C ATOM 119 OE1 GLN A 8 -4.788 1.487 -8.508 1.00 0.00 O ATOM 120 NE2 GLN A 8 -4.961 -0.288 -7.074 1.00 0.00 N ATOM 0 H GLN A 8 -4.659 2.918 -2.939 1.00 0.00 H new ATOM 0 HA GLN A 8 -2.789 3.854 -4.997 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -5.418 2.439 -5.563 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -4.627 3.526 -6.688 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -2.690 2.011 -6.880 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -3.320 0.975 -5.615 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -4.682 -0.696 -6.182 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -5.594 -0.796 -7.691 1.00 0.00 H new ATOM 129 N PRO A 9 -4.854 5.740 -5.097 1.00 0.00 N ATOM 130 CA PRO A 9 -5.944 6.694 -5.004 1.00 0.00 C ATOM 131 C PRO A 9 -7.264 6.056 -5.412 1.00 0.00 C ATOM 132 O PRO A 9 -7.273 5.298 -6.382 1.00 0.00 O ATOM 133 CB PRO A 9 -5.564 7.791 -6.013 1.00 0.00 C ATOM 134 CG PRO A 9 -4.033 7.756 -6.050 1.00 0.00 C ATOM 135 CD PRO A 9 -3.734 6.263 -5.887 1.00 0.00 C ATOM 0 HA PRO A 9 -6.078 7.067 -3.989 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -5.990 7.592 -6.996 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -5.932 8.767 -5.697 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -3.640 8.149 -6.988 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -3.594 8.348 -5.247 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -3.666 5.765 -6.854 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -2.783 6.103 -5.379 1.00 0.00 H new ATOM 143 N GLU A 10 -8.405 6.311 -4.732 1.00 0.00 N ATOM 144 CA GLU A 10 -8.615 7.305 -3.706 1.00 0.00 C ATOM 145 C GLU A 10 -8.775 6.614 -2.394 1.00 0.00 C ATOM 146 O GLU A 10 -8.654 7.256 -1.356 1.00 0.00 O ATOM 147 CB GLU A 10 -9.861 8.181 -3.960 1.00 0.00 C ATOM 148 CG GLU A 10 -9.625 9.263 -5.034 1.00 0.00 C ATOM 149 CD GLU A 10 -8.971 10.510 -4.428 1.00 0.00 C ATOM 150 OE1 GLU A 10 -7.838 10.400 -3.887 1.00 0.00 O ATOM 151 OE2 GLU A 10 -9.607 11.595 -4.506 1.00 0.00 O ATOM 0 H GLU A 10 -9.254 5.776 -4.915 1.00 0.00 H new ATOM 0 HA GLU A 10 -7.747 7.965 -3.711 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -10.690 7.544 -4.269 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -10.158 8.661 -3.027 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -8.989 8.863 -5.824 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -10.574 9.535 -5.496 1.00 0.00 H new ATOM 158 N ASN A 11 -9.037 5.299 -2.380 1.00 0.00 N ATOM 159 CA ASN A 11 -8.906 4.495 -1.211 1.00 0.00 C ATOM 160 C ASN A 11 -8.827 3.223 -1.964 1.00 0.00 C ATOM 161 O ASN A 11 -9.462 3.118 -3.007 1.00 0.00 O ATOM 162 CB ASN A 11 -10.142 4.423 -0.265 1.00 0.00 C ATOM 163 CG ASN A 11 -9.853 3.472 0.907 1.00 0.00 C ATOM 164 OD1 ASN A 11 -8.718 3.405 1.388 1.00 0.00 O ATOM 165 ND2 ASN A 11 -10.881 2.723 1.388 1.00 0.00 N ATOM 0 H ASN A 11 -9.348 4.782 -3.202 1.00 0.00 H new ATOM 0 HA ASN A 11 -8.120 4.818 -0.529 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -10.379 5.417 0.113 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -11.014 4.076 -0.819 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -10.725 2.084 2.167 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -11.808 2.800 0.969 1.00 0.00 H new ATOM 172 N CYS A 12 -8.062 2.260 -1.459 1.00 0.00 N ATOM 173 CA CYS A 12 -8.044 0.915 -1.945 1.00 0.00 C ATOM 174 C CYS A 12 -7.243 0.169 -0.929 1.00 0.00 C ATOM 175 O CYS A 12 -7.021 0.669 0.172 1.00 0.00 O ATOM 176 CB CYS A 12 -7.527 0.752 -3.413 1.00 0.00 C ATOM 177 SG CYS A 12 -8.524 -0.339 -4.479 1.00 0.00 S ATOM 0 H CYS A 12 -7.425 2.415 -0.678 1.00 0.00 H new ATOM 0 HA CYS A 12 -9.054 0.517 -2.042 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -7.480 1.738 -3.875 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -6.508 0.367 -3.380 1.00 0.00 H new ATOM 0 HG CYS A 12 -7.994 -0.389 -5.665 1.00 0.00 H new ATOM 182 N VAL A 13 -6.757 -1.020 -1.323 1.00 0.00 N ATOM 183 CA VAL A 13 -5.638 -1.696 -0.746 1.00 0.00 C ATOM 184 C VAL A 13 -4.885 -1.950 -2.017 1.00 0.00 C ATOM 185 O VAL A 13 -5.468 -1.802 -3.096 1.00 0.00 O ATOM 186 CB VAL A 13 -5.976 -3.008 -0.050 1.00 0.00 C ATOM 187 CG1 VAL A 13 -6.692 -2.706 1.278 1.00 0.00 C ATOM 188 CG2 VAL A 13 -6.826 -3.937 -0.943 1.00 0.00 C ATOM 0 H VAL A 13 -7.173 -1.542 -2.094 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.137 -1.140 0.046 1.00 0.00 H new ATOM 0 HB VAL A 13 -5.047 -3.541 0.152 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -6.936 -3.642 1.781 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -6.039 -2.111 1.916 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -7.609 -2.151 1.079 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -7.043 -4.860 -0.405 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -7.761 -3.439 -1.200 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -6.276 -4.169 -1.855 1.00 0.00 H new ATOM 198 N TYR A 14 -3.599 -2.347 -1.955 1.00 0.00 N ATOM 199 CA TYR A 14 -2.935 -2.943 -3.091 1.00 0.00 C ATOM 200 C TYR A 14 -3.147 -4.413 -2.845 1.00 0.00 C ATOM 201 O TYR A 14 -3.942 -4.791 -1.991 1.00 0.00 O ATOM 202 CB TYR A 14 -1.414 -2.584 -3.162 1.00 0.00 C ATOM 203 CG TYR A 14 -1.034 -1.799 -4.405 1.00 0.00 C ATOM 204 CD1 TYR A 14 -1.532 -2.123 -5.682 1.00 0.00 C ATOM 205 CD2 TYR A 14 -0.119 -0.736 -4.305 1.00 0.00 C ATOM 206 CE1 TYR A 14 -1.142 -1.396 -6.817 1.00 0.00 C ATOM 207 CE2 TYR A 14 0.288 -0.016 -5.434 1.00 0.00 C ATOM 208 CZ TYR A 14 -0.230 -0.336 -6.692 1.00 0.00 C ATOM 209 OH TYR A 14 0.195 0.402 -7.821 1.00 0.00 O ATOM 0 H TYR A 14 -3.015 -2.258 -1.124 1.00 0.00 H new ATOM 0 HA TYR A 14 -3.327 -2.590 -4.045 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -1.144 -2.004 -2.279 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -0.830 -3.504 -3.130 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -2.225 -2.944 -5.789 1.00 0.00 H new ATOM 0 HD2 TYR A 14 0.278 -0.470 -3.337 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -1.543 -1.652 -7.786 1.00 0.00 H new ATOM 0 HE2 TYR A 14 1.003 0.787 -5.333 1.00 0.00 H new ATOM 0 HH TYR A 14 0.826 1.097 -7.539 1.00 0.00 H new ATOM 219 N HIS A 15 -2.449 -5.306 -3.550 1.00 0.00 N ATOM 220 CA HIS A 15 -2.478 -6.687 -3.174 1.00 0.00 C ATOM 221 C HIS A 15 -1.029 -6.941 -3.094 1.00 0.00 C ATOM 222 O HIS A 15 -0.235 -6.150 -3.602 1.00 0.00 O ATOM 223 CB HIS A 15 -3.183 -7.645 -4.163 1.00 0.00 C ATOM 224 CG HIS A 15 -4.639 -7.812 -3.809 1.00 0.00 C ATOM 225 ND1 HIS A 15 -5.559 -6.804 -3.907 1.00 0.00 N ATOM 226 CD2 HIS A 15 -5.269 -8.872 -3.248 1.00 0.00 C ATOM 227 CE1 HIS A 15 -6.713 -7.242 -3.417 1.00 0.00 C ATOM 228 NE2 HIS A 15 -6.563 -8.495 -3.016 1.00 0.00 N ATOM 0 H HIS A 15 -1.874 -5.087 -4.364 1.00 0.00 H new ATOM 0 HA HIS A 15 -3.061 -6.871 -2.272 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -3.094 -7.256 -5.177 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -2.688 -8.616 -4.149 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -4.832 -9.834 -3.026 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -7.626 -6.669 -3.356 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -7.290 -9.080 -2.604 1.00 0.00 H new ATOM 237 N CYS A 16 -0.679 -8.031 -2.405 1.00 0.00 N ATOM 238 CA CYS A 16 0.648 -8.462 -2.146 1.00 0.00 C ATOM 239 C CYS A 16 0.483 -9.821 -2.714 1.00 0.00 C ATOM 240 O CYS A 16 -0.614 -10.375 -2.625 1.00 0.00 O ATOM 241 CB CYS A 16 0.940 -8.558 -0.622 1.00 0.00 C ATOM 242 SG CYS A 16 2.460 -9.473 -0.185 1.00 0.00 S ATOM 0 H CYS A 16 -1.376 -8.656 -2.000 1.00 0.00 H new ATOM 0 HA CYS A 16 1.449 -7.832 -2.533 1.00 0.00 H new ATOM 0 HB2 CYS A 16 1.012 -7.549 -0.217 1.00 0.00 H new ATOM 0 HB3 CYS A 16 0.092 -9.038 -0.134 1.00 0.00 H new ATOM 247 N PHE A 17 1.556 -10.383 -3.293 1.00 0.00 N ATOM 248 CA PHE A 17 1.618 -11.753 -3.687 1.00 0.00 C ATOM 249 C PHE A 17 2.443 -12.234 -2.538 1.00 0.00 C ATOM 250 O PHE A 17 3.519 -11.644 -2.425 1.00 0.00 O ATOM 251 CB PHE A 17 2.427 -11.980 -4.997 1.00 0.00 C ATOM 252 CG PHE A 17 2.077 -10.974 -6.071 1.00 0.00 C ATOM 253 CD1 PHE A 17 0.739 -10.674 -6.382 1.00 0.00 C ATOM 254 CD2 PHE A 17 3.100 -10.286 -6.755 1.00 0.00 C ATOM 255 CE1 PHE A 17 0.427 -9.701 -7.340 1.00 0.00 C ATOM 256 CE2 PHE A 17 2.790 -9.310 -7.711 1.00 0.00 C ATOM 257 CZ PHE A 17 1.453 -9.019 -8.004 1.00 0.00 C ATOM 0 H PHE A 17 2.411 -9.865 -3.494 1.00 0.00 H new ATOM 0 HA PHE A 17 0.650 -12.216 -3.878 1.00 0.00 H new ATOM 0 HB2 PHE A 17 3.493 -11.918 -4.778 1.00 0.00 H new ATOM 0 HB3 PHE A 17 2.236 -12.986 -5.369 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -0.057 -11.200 -5.876 1.00 0.00 H new ATOM 0 HD2 PHE A 17 4.134 -10.514 -6.540 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -0.605 -9.477 -7.566 1.00 0.00 H new ATOM 0 HE2 PHE A 17 3.582 -8.783 -8.221 1.00 0.00 H new ATOM 0 HZ PHE A 17 1.213 -8.268 -8.742 1.00 0.00 H new ATOM 267 N PRO A 18 2.052 -13.161 -1.664 1.00 0.00 N ATOM 268 CA PRO A 18 2.749 -13.373 -0.405 1.00 0.00 C ATOM 269 C PRO A 18 4.219 -13.699 -0.543 1.00 0.00 C ATOM 270 O PRO A 18 4.569 -14.818 -0.910 1.00 0.00 O ATOM 271 CB PRO A 18 1.984 -14.539 0.222 1.00 0.00 C ATOM 272 CG PRO A 18 0.526 -14.254 -0.160 1.00 0.00 C ATOM 273 CD PRO A 18 0.629 -13.485 -1.490 1.00 0.00 C ATOM 0 HA PRO A 18 2.757 -12.462 0.193 1.00 0.00 H new ATOM 0 HB2 PRO A 18 2.322 -15.498 -0.170 1.00 0.00 H new ATOM 0 HB3 PRO A 18 2.117 -14.572 1.303 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -0.043 -15.176 -0.276 1.00 0.00 H new ATOM 0 HG3 PRO A 18 0.022 -13.662 0.604 1.00 0.00 H new ATOM 0 HD2 PRO A 18 0.263 -14.090 -2.319 1.00 0.00 H new ATOM 0 HD3 PRO A 18 0.023 -12.579 -1.464 1.00 0.00 H new ATOM 281 N GLY A 19 5.083 -12.710 -0.260 1.00 0.00 N ATOM 282 CA GLY A 19 6.479 -12.775 -0.507 1.00 0.00 C ATOM 283 C GLY A 19 6.745 -11.314 -0.465 1.00 0.00 C ATOM 284 O GLY A 19 5.830 -10.540 -0.172 1.00 0.00 O ATOM 0 H GLY A 19 4.790 -11.828 0.160 1.00 0.00 H new ATOM 0 HA2 GLY A 19 7.024 -13.332 0.256 1.00 0.00 H new ATOM 0 HA3 GLY A 19 6.724 -13.228 -1.468 1.00 0.00 H new ATOM 288 N SER A 20 7.993 -10.899 -0.746 1.00 0.00 N ATOM 289 CA SER A 20 8.380 -9.517 -0.670 1.00 0.00 C ATOM 290 C SER A 20 8.194 -8.872 -2.023 1.00 0.00 C ATOM 291 O SER A 20 7.918 -7.679 -2.119 1.00 0.00 O ATOM 292 CB SER A 20 9.867 -9.411 -0.237 1.00 0.00 C ATOM 293 OG SER A 20 10.179 -10.407 0.742 1.00 0.00 O ATOM 0 H SER A 20 8.745 -11.526 -1.030 1.00 0.00 H new ATOM 0 HA SER A 20 7.759 -9.005 0.065 1.00 0.00 H new ATOM 0 HB2 SER A 20 10.514 -9.532 -1.106 1.00 0.00 H new ATOM 0 HB3 SER A 20 10.063 -8.419 0.170 1.00 0.00 H new ATOM 0 HG SER A 20 11.120 -10.326 1.002 1.00 0.00 H new ATOM 299 N SER A 21 8.357 -9.670 -3.104 1.00 0.00 N ATOM 300 CA SER A 21 8.678 -9.270 -4.451 1.00 0.00 C ATOM 301 C SER A 21 7.699 -8.327 -5.092 1.00 0.00 C ATOM 302 O SER A 21 8.063 -7.337 -5.738 1.00 0.00 O ATOM 303 CB SER A 21 8.822 -10.554 -5.309 1.00 0.00 C ATOM 304 OG SER A 21 9.136 -11.662 -4.456 1.00 0.00 O ATOM 0 H SER A 21 8.255 -10.682 -3.028 1.00 0.00 H new ATOM 0 HA SER A 21 9.607 -8.702 -4.397 1.00 0.00 H new ATOM 0 HB2 SER A 21 7.896 -10.749 -5.851 1.00 0.00 H new ATOM 0 HB3 SER A 21 9.606 -10.421 -6.055 1.00 0.00 H new ATOM 0 HG SER A 21 9.226 -12.475 -4.996 1.00 0.00 H new ATOM 310 N GLY A 22 6.398 -8.627 -4.912 1.00 0.00 N ATOM 311 CA GLY A 22 5.327 -7.843 -5.485 1.00 0.00 C ATOM 312 C GLY A 22 5.285 -6.496 -4.858 1.00 0.00 C ATOM 313 O GLY A 22 5.286 -5.470 -5.540 1.00 0.00 O ATOM 0 H GLY A 22 6.077 -9.424 -4.362 1.00 0.00 H new ATOM 0 HA2 GLY A 22 5.472 -7.747 -6.561 1.00 0.00 H new ATOM 0 HA3 GLY A 22 4.374 -8.351 -5.336 1.00 0.00 H new ATOM 317 N CYS A 23 5.284 -6.476 -3.506 1.00 0.00 N ATOM 318 CA CYS A 23 5.155 -5.253 -2.755 1.00 0.00 C ATOM 319 C CYS A 23 6.369 -4.429 -2.917 1.00 0.00 C ATOM 320 O CYS A 23 6.237 -3.231 -3.117 1.00 0.00 O ATOM 321 CB CYS A 23 4.949 -5.412 -1.239 1.00 0.00 C ATOM 322 SG CYS A 23 3.365 -6.184 -0.865 1.00 0.00 S ATOM 0 H CYS A 23 5.373 -7.312 -2.929 1.00 0.00 H new ATOM 0 HA CYS A 23 4.254 -4.797 -3.166 1.00 0.00 H new ATOM 0 HB2 CYS A 23 5.756 -6.015 -0.822 1.00 0.00 H new ATOM 0 HB3 CYS A 23 5.001 -4.435 -0.759 1.00 0.00 H new ATOM 327 N ASP A 24 7.568 -5.055 -2.883 1.00 0.00 N ATOM 328 CA ASP A 24 8.853 -4.428 -3.139 1.00 0.00 C ATOM 329 C ASP A 24 8.792 -3.605 -4.408 1.00 0.00 C ATOM 330 O ASP A 24 9.053 -2.404 -4.399 1.00 0.00 O ATOM 331 CB ASP A 24 9.992 -5.488 -3.257 1.00 0.00 C ATOM 332 CG ASP A 24 11.386 -4.855 -3.303 1.00 0.00 C ATOM 333 OD1 ASP A 24 11.755 -4.177 -2.307 1.00 0.00 O ATOM 334 OD2 ASP A 24 12.094 -5.049 -4.326 1.00 0.00 O ATOM 0 H ASP A 24 7.653 -6.048 -2.667 1.00 0.00 H new ATOM 0 HA ASP A 24 9.077 -3.778 -2.293 1.00 0.00 H new ATOM 0 HB2 ASP A 24 9.936 -6.172 -2.410 1.00 0.00 H new ATOM 0 HB3 ASP A 24 9.838 -6.083 -4.157 1.00 0.00 H new ATOM 339 N THR A 25 8.369 -4.237 -5.516 1.00 0.00 N ATOM 340 CA THR A 25 8.232 -3.600 -6.807 1.00 0.00 C ATOM 341 C THR A 25 7.273 -2.424 -6.761 1.00 0.00 C ATOM 342 O THR A 25 7.629 -1.312 -7.155 1.00 0.00 O ATOM 343 CB THR A 25 7.730 -4.596 -7.833 1.00 0.00 C ATOM 344 OG1 THR A 25 8.563 -5.757 -7.840 1.00 0.00 O ATOM 345 CG2 THR A 25 7.718 -3.975 -9.249 1.00 0.00 C ATOM 0 H THR A 25 8.111 -5.224 -5.524 1.00 0.00 H new ATOM 0 HA THR A 25 9.219 -3.233 -7.087 1.00 0.00 H new ATOM 0 HB THR A 25 6.712 -4.873 -7.559 1.00 0.00 H new ATOM 0 HG1 THR A 25 8.224 -6.407 -7.190 1.00 0.00 H new ATOM 0 HG21 THR A 25 7.354 -4.711 -9.966 1.00 0.00 H new ATOM 0 HG22 THR A 25 7.063 -3.104 -9.259 1.00 0.00 H new ATOM 0 HG23 THR A 25 8.729 -3.672 -9.522 1.00 0.00 H new ATOM 353 N LEU A 26 6.031 -2.653 -6.269 1.00 0.00 N ATOM 354 CA LEU A 26 4.954 -1.681 -6.306 1.00 0.00 C ATOM 355 C LEU A 26 5.272 -0.513 -5.410 1.00 0.00 C ATOM 356 O LEU A 26 5.048 0.649 -5.740 1.00 0.00 O ATOM 357 CB LEU A 26 3.618 -2.285 -5.813 1.00 0.00 C ATOM 358 CG LEU A 26 3.064 -3.438 -6.685 1.00 0.00 C ATOM 359 CD1 LEU A 26 2.084 -4.292 -5.856 1.00 0.00 C ATOM 360 CD2 LEU A 26 2.441 -2.973 -8.018 1.00 0.00 C ATOM 0 H LEU A 26 5.764 -3.536 -5.833 1.00 0.00 H new ATOM 0 HA LEU A 26 4.855 -1.366 -7.345 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.755 -2.652 -4.796 1.00 0.00 H new ATOM 0 HB3 LEU A 26 2.872 -1.492 -5.768 1.00 0.00 H new ATOM 0 HG LEU A 26 3.914 -4.052 -6.981 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.696 -5.103 -6.473 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.604 -4.709 -4.994 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.258 -3.669 -5.514 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.076 -3.839 -8.571 1.00 0.00 H new ATOM 0 HD22 LEU A 26 1.611 -2.296 -7.815 1.00 0.00 H new ATOM 0 HD23 LEU A 26 3.195 -2.455 -8.611 1.00 0.00 H new ATOM 372 N CYS A 27 5.840 -0.817 -4.231 1.00 0.00 N ATOM 373 CA CYS A 27 6.258 0.154 -3.259 1.00 0.00 C ATOM 374 C CYS A 27 7.376 0.993 -3.808 1.00 0.00 C ATOM 375 O CYS A 27 7.344 2.217 -3.687 1.00 0.00 O ATOM 376 CB CYS A 27 6.735 -0.536 -1.957 1.00 0.00 C ATOM 377 SG CYS A 27 6.919 0.570 -0.539 1.00 0.00 S ATOM 0 H CYS A 27 6.017 -1.778 -3.939 1.00 0.00 H new ATOM 0 HA CYS A 27 5.401 0.788 -3.032 1.00 0.00 H new ATOM 0 HB2 CYS A 27 6.026 -1.322 -1.698 1.00 0.00 H new ATOM 0 HB3 CYS A 27 7.692 -1.021 -2.149 1.00 0.00 H new ATOM 382 N LYS A 28 8.392 0.377 -4.459 1.00 0.00 N ATOM 383 CA LYS A 28 9.536 1.143 -4.922 1.00 0.00 C ATOM 384 C LYS A 28 9.147 2.065 -6.043 1.00 0.00 C ATOM 385 O LYS A 28 9.563 3.223 -6.064 1.00 0.00 O ATOM 386 CB LYS A 28 10.737 0.285 -5.387 1.00 0.00 C ATOM 387 CG LYS A 28 11.512 -0.311 -4.201 1.00 0.00 C ATOM 388 CD LYS A 28 12.711 -1.171 -4.614 1.00 0.00 C ATOM 389 CE LYS A 28 13.654 -1.447 -3.433 1.00 0.00 C ATOM 390 NZ LYS A 28 14.717 -2.414 -3.792 1.00 0.00 N ATOM 0 H LYS A 28 8.429 -0.622 -4.663 1.00 0.00 H new ATOM 0 HA LYS A 28 9.861 1.706 -4.047 1.00 0.00 H new ATOM 0 HB2 LYS A 28 10.380 -0.521 -6.029 1.00 0.00 H new ATOM 0 HB3 LYS A 28 11.409 0.897 -5.988 1.00 0.00 H new ATOM 0 HG2 LYS A 28 11.862 0.501 -3.563 1.00 0.00 H new ATOM 0 HG3 LYS A 28 10.832 -0.917 -3.602 1.00 0.00 H new ATOM 0 HD2 LYS A 28 12.355 -2.117 -5.023 1.00 0.00 H new ATOM 0 HD3 LYS A 28 13.262 -0.667 -5.408 1.00 0.00 H new ATOM 0 HE2 LYS A 28 14.109 -0.512 -3.105 1.00 0.00 H new ATOM 0 HE3 LYS A 28 13.079 -1.834 -2.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 15.333 -2.574 -2.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 14.284 -3.314 -4.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 15.282 -2.033 -4.578 1.00 0.00 H new ATOM 404 N GLU A 29 8.289 1.595 -6.978 1.00 0.00 N ATOM 405 CA GLU A 29 7.899 2.396 -8.122 1.00 0.00 C ATOM 406 C GLU A 29 7.044 3.582 -7.736 1.00 0.00 C ATOM 407 O GLU A 29 6.879 4.501 -8.535 1.00 0.00 O ATOM 408 CB GLU A 29 7.204 1.581 -9.246 1.00 0.00 C ATOM 409 CG GLU A 29 5.824 1.005 -8.896 1.00 0.00 C ATOM 410 CD GLU A 29 5.306 0.161 -10.063 1.00 0.00 C ATOM 411 OE1 GLU A 29 5.083 0.744 -11.156 1.00 0.00 O ATOM 412 OE2 GLU A 29 5.137 -1.074 -9.881 1.00 0.00 O ATOM 0 H GLU A 29 7.865 0.668 -6.948 1.00 0.00 H new ATOM 0 HA GLU A 29 8.840 2.767 -8.527 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.098 2.222 -10.122 1.00 0.00 H new ATOM 0 HB3 GLU A 29 7.859 0.758 -9.531 1.00 0.00 H new ATOM 0 HG2 GLU A 29 5.892 0.395 -7.995 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.125 1.814 -8.681 1.00 0.00 H new ATOM 419 N LYS A 30 6.494 3.602 -6.501 1.00 0.00 N ATOM 420 CA LYS A 30 5.687 4.703 -6.021 1.00 0.00 C ATOM 421 C LYS A 30 6.408 5.445 -4.923 1.00 0.00 C ATOM 422 O LYS A 30 5.848 6.356 -4.309 1.00 0.00 O ATOM 423 CB LYS A 30 4.316 4.222 -5.502 1.00 0.00 C ATOM 424 CG LYS A 30 3.434 3.565 -6.584 1.00 0.00 C ATOM 425 CD LYS A 30 3.216 4.425 -7.844 1.00 0.00 C ATOM 426 CE LYS A 30 2.182 3.864 -8.831 1.00 0.00 C ATOM 427 NZ LYS A 30 2.565 2.518 -9.314 1.00 0.00 N ATOM 0 H LYS A 30 6.608 2.848 -5.824 1.00 0.00 H new ATOM 0 HA LYS A 30 5.518 5.372 -6.865 1.00 0.00 H new ATOM 0 HB2 LYS A 30 4.474 3.508 -4.694 1.00 0.00 H new ATOM 0 HB3 LYS A 30 3.781 5.071 -5.077 1.00 0.00 H new ATOM 0 HG2 LYS A 30 3.889 2.620 -6.880 1.00 0.00 H new ATOM 0 HG3 LYS A 30 2.463 3.329 -6.149 1.00 0.00 H new ATOM 0 HD2 LYS A 30 2.902 5.422 -7.537 1.00 0.00 H new ATOM 0 HD3 LYS A 30 4.169 4.536 -8.361 1.00 0.00 H new ATOM 0 HE2 LYS A 30 1.206 3.814 -8.348 1.00 0.00 H new ATOM 0 HE3 LYS A 30 2.083 4.541 -9.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 1.828 2.155 -9.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 3.468 2.577 -9.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 2.668 1.875 -8.503 1.00 0.00 H new ATOM 441 N GLY A 31 7.691 5.100 -4.683 1.00 0.00 N ATOM 442 CA GLY A 31 8.584 5.921 -3.898 1.00 0.00 C ATOM 443 C GLY A 31 8.593 5.567 -2.445 1.00 0.00 C ATOM 444 O GLY A 31 8.786 6.445 -1.604 1.00 0.00 O ATOM 0 H GLY A 31 8.118 4.243 -5.035 1.00 0.00 H new ATOM 0 HA2 GLY A 31 9.595 5.826 -4.294 1.00 0.00 H new ATOM 0 HA3 GLY A 31 8.296 6.966 -4.008 1.00 0.00 H new ATOM 448 N GLY A 32 8.403 4.274 -2.098 1.00 0.00 N ATOM 449 CA GLY A 32 8.565 3.824 -0.738 1.00 0.00 C ATOM 450 C GLY A 32 9.974 3.383 -0.513 1.00 0.00 C ATOM 451 O GLY A 32 10.608 2.776 -1.379 1.00 0.00 O ATOM 0 H GLY A 32 8.138 3.541 -2.756 1.00 0.00 H new ATOM 0 HA2 GLY A 32 8.312 4.628 -0.047 1.00 0.00 H new ATOM 0 HA3 GLY A 32 7.880 3.001 -0.534 1.00 0.00 H new ATOM 455 N THR A 33 10.482 3.696 0.696 1.00 0.00 N ATOM 456 CA THR A 33 11.867 3.565 1.082 1.00 0.00 C ATOM 457 C THR A 33 12.113 2.158 1.563 1.00 0.00 C ATOM 458 O THR A 33 13.238 1.657 1.589 1.00 0.00 O ATOM 459 CB THR A 33 12.202 4.566 2.181 1.00 0.00 C ATOM 460 OG1 THR A 33 11.814 5.881 1.773 1.00 0.00 O ATOM 461 CG2 THR A 33 13.715 4.561 2.515 1.00 0.00 C ATOM 0 H THR A 33 9.898 4.061 1.449 1.00 0.00 H new ATOM 0 HA THR A 33 12.507 3.771 0.224 1.00 0.00 H new ATOM 0 HB THR A 33 11.653 4.273 3.076 1.00 0.00 H new ATOM 0 HG1 THR A 33 10.839 5.966 1.826 1.00 0.00 H new ATOM 0 HG21 THR A 33 13.916 5.287 3.303 1.00 0.00 H new ATOM 0 HG22 THR A 33 14.010 3.568 2.853 1.00 0.00 H new ATOM 0 HG23 THR A 33 14.285 4.825 1.624 1.00 0.00 H new ATOM 469 N SER A 34 11.054 1.451 1.978 1.00 0.00 N ATOM 470 CA SER A 34 11.138 0.055 2.245 1.00 0.00 C ATOM 471 C SER A 34 9.709 -0.293 2.080 1.00 0.00 C ATOM 472 O SER A 34 8.855 0.592 2.199 1.00 0.00 O ATOM 473 CB SER A 34 11.611 -0.293 3.670 1.00 0.00 C ATOM 474 OG SER A 34 12.960 0.120 3.838 1.00 0.00 O ATOM 0 H SER A 34 10.129 1.852 2.130 1.00 0.00 H new ATOM 0 HA SER A 34 11.859 -0.467 1.616 1.00 0.00 H new ATOM 0 HB2 SER A 34 10.975 0.199 4.406 1.00 0.00 H new ATOM 0 HB3 SER A 34 11.524 -1.366 3.841 1.00 0.00 H new ATOM 0 HG SER A 34 13.262 0.587 3.031 1.00 0.00 H new ATOM 480 N GLY A 35 9.428 -1.567 1.771 1.00 0.00 N ATOM 481 CA GLY A 35 8.136 -2.014 1.381 1.00 0.00 C ATOM 482 C GLY A 35 8.173 -3.378 1.922 1.00 0.00 C ATOM 483 O GLY A 35 9.231 -4.004 1.900 1.00 0.00 O ATOM 0 H GLY A 35 10.126 -2.311 1.794 1.00 0.00 H new ATOM 0 HA2 GLY A 35 7.337 -1.413 1.816 1.00 0.00 H new ATOM 0 HA3 GLY A 35 7.996 -1.997 0.300 1.00 0.00 H new ATOM 487 N HIS A 36 7.037 -3.841 2.463 1.00 0.00 N ATOM 488 CA HIS A 36 6.962 -5.074 3.186 1.00 0.00 C ATOM 489 C HIS A 36 5.589 -5.548 2.820 1.00 0.00 C ATOM 490 O HIS A 36 4.949 -4.998 1.925 1.00 0.00 O ATOM 491 CB HIS A 36 7.071 -4.921 4.734 1.00 0.00 C ATOM 492 CG HIS A 36 8.301 -4.205 5.250 1.00 0.00 C ATOM 493 ND1 HIS A 36 8.283 -3.493 6.423 1.00 0.00 N ATOM 494 CD2 HIS A 36 9.579 -4.192 4.805 1.00 0.00 C ATOM 495 CE1 HIS A 36 9.510 -3.050 6.667 1.00 0.00 C ATOM 496 NE2 HIS A 36 10.317 -3.463 5.701 1.00 0.00 N ATOM 0 H HIS A 36 6.146 -3.348 2.398 1.00 0.00 H new ATOM 0 HA HIS A 36 7.786 -5.741 2.934 1.00 0.00 H new ATOM 0 HB2 HIS A 36 6.190 -4.387 5.088 1.00 0.00 H new ATOM 0 HB3 HIS A 36 7.041 -5.915 5.179 1.00 0.00 H new ATOM 0 HD2 HIS A 36 9.949 -4.668 3.909 1.00 0.00 H new ATOM 0 HE1 HIS A 36 9.803 -2.450 7.516 1.00 0.00 H new ATOM 0 HE2 HIS A 36 11.317 -3.271 5.635 1.00 0.00 H new ATOM 505 N CYS A 37 5.073 -6.564 3.519 1.00 0.00 N ATOM 506 CA CYS A 37 3.839 -7.208 3.203 1.00 0.00 C ATOM 507 C CYS A 37 3.550 -7.721 4.571 1.00 0.00 C ATOM 508 O CYS A 37 4.440 -7.665 5.422 1.00 0.00 O ATOM 509 CB CYS A 37 4.017 -8.365 2.178 1.00 0.00 C ATOM 510 SG CYS A 37 2.525 -9.362 1.830 1.00 0.00 S ATOM 0 H CYS A 37 5.533 -6.957 4.341 1.00 0.00 H new ATOM 0 HA CYS A 37 3.075 -6.588 2.735 1.00 0.00 H new ATOM 0 HB2 CYS A 37 4.374 -7.941 1.239 1.00 0.00 H new ATOM 0 HB3 CYS A 37 4.798 -9.031 2.544 1.00 0.00 H new ATOM 515 N GLY A 38 2.327 -8.216 4.815 1.00 0.00 N ATOM 516 CA GLY A 38 1.950 -8.766 6.081 1.00 0.00 C ATOM 517 C GLY A 38 0.780 -7.945 6.469 1.00 0.00 C ATOM 518 O GLY A 38 0.922 -6.883 7.071 1.00 0.00 O ATOM 0 H GLY A 38 1.582 -8.236 4.119 1.00 0.00 H new ATOM 0 HA2 GLY A 38 1.693 -9.822 6.001 1.00 0.00 H new ATOM 0 HA3 GLY A 38 2.756 -8.689 6.810 1.00 0.00 H new ATOM 522 N PHE A 39 -0.427 -8.409 6.098 1.00 0.00 N ATOM 523 CA PHE A 39 -1.659 -7.842 6.530 1.00 0.00 C ATOM 524 C PHE A 39 -2.484 -9.066 6.316 1.00 0.00 C ATOM 525 O PHE A 39 -2.066 -9.918 5.530 1.00 0.00 O ATOM 526 CB PHE A 39 -2.176 -6.684 5.641 1.00 0.00 C ATOM 527 CG PHE A 39 -3.162 -5.743 6.304 1.00 0.00 C ATOM 528 CD1 PHE A 39 -3.585 -5.809 7.651 1.00 0.00 C ATOM 529 CD2 PHE A 39 -3.620 -4.674 5.518 1.00 0.00 C ATOM 530 CE1 PHE A 39 -4.399 -4.805 8.192 1.00 0.00 C ATOM 531 CE2 PHE A 39 -4.416 -3.663 6.058 1.00 0.00 C ATOM 532 CZ PHE A 39 -4.809 -3.727 7.398 1.00 0.00 C ATOM 0 H PHE A 39 -0.545 -9.208 5.475 1.00 0.00 H new ATOM 0 HA PHE A 39 -1.638 -7.385 7.519 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -1.320 -6.103 5.298 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -2.647 -7.111 4.756 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -3.278 -6.640 8.268 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -3.351 -4.633 4.473 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -4.711 -4.863 9.224 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -4.728 -2.833 5.442 1.00 0.00 H new ATOM 0 HZ PHE A 39 -5.427 -2.948 7.819 1.00 0.00 H new ATOM 542 N LYS A 40 -3.624 -9.203 7.008 1.00 0.00 N ATOM 543 CA LYS A 40 -4.555 -10.272 6.754 1.00 0.00 C ATOM 544 C LYS A 40 -5.909 -9.634 6.837 1.00 0.00 C ATOM 545 O LYS A 40 -6.911 -10.308 7.049 1.00 0.00 O ATOM 546 CB LYS A 40 -4.498 -11.408 7.816 1.00 0.00 C ATOM 547 CG LYS A 40 -3.102 -12.032 7.999 1.00 0.00 C ATOM 548 CD LYS A 40 -3.117 -13.523 8.384 1.00 0.00 C ATOM 549 CE LYS A 40 -3.443 -14.466 7.216 1.00 0.00 C ATOM 550 NZ LYS A 40 -2.418 -14.352 6.150 1.00 0.00 N ATOM 0 H LYS A 40 -3.911 -8.569 7.754 1.00 0.00 H new ATOM 0 HA LYS A 40 -4.324 -10.732 5.793 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -4.835 -11.012 8.774 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -5.200 -12.192 7.531 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -2.540 -11.914 7.072 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -2.567 -11.476 8.769 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -2.143 -13.792 8.794 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -3.850 -13.676 9.176 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -3.490 -15.494 7.574 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -4.426 -14.225 6.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -2.471 -15.183 5.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -2.591 -13.491 5.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -1.473 -14.302 6.581 1.00 0.00 H new ATOM 564 N VAL A 41 -5.955 -8.290 6.714 1.00 0.00 N ATOM 565 CA VAL A 41 -7.133 -7.505 6.963 1.00 0.00 C ATOM 566 C VAL A 41 -6.975 -6.393 5.963 1.00 0.00 C ATOM 567 O VAL A 41 -6.261 -6.564 4.974 1.00 0.00 O ATOM 568 CB VAL A 41 -7.269 -6.972 8.402 1.00 0.00 C ATOM 569 CG1 VAL A 41 -8.766 -6.770 8.723 1.00 0.00 C ATOM 570 CG2 VAL A 41 -6.635 -7.949 9.420 1.00 0.00 C ATOM 0 H VAL A 41 -5.149 -7.732 6.433 1.00 0.00 H new ATOM 0 HA VAL A 41 -8.045 -8.093 6.858 1.00 0.00 H new ATOM 0 HB VAL A 41 -6.740 -6.022 8.478 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -8.872 -6.393 9.740 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -9.195 -6.053 8.023 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -9.289 -7.722 8.633 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -6.746 -7.547 10.427 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -7.136 -8.915 9.358 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -5.576 -8.074 9.193 1.00 0.00 H new ATOM 580 N GLY A 42 -7.634 -5.235 6.192 1.00 0.00 N ATOM 581 CA GLY A 42 -7.604 -4.104 5.315 1.00 0.00 C ATOM 582 C GLY A 42 -8.855 -4.224 4.544 1.00 0.00 C ATOM 583 O GLY A 42 -9.915 -3.805 4.998 1.00 0.00 O ATOM 0 H GLY A 42 -8.209 -5.085 7.021 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -7.565 -3.167 5.871 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -6.730 -4.125 4.665 1.00 0.00 H new ATOM 587 N HIS A 43 -8.741 -4.838 3.364 1.00 0.00 N ATOM 588 CA HIS A 43 -9.834 -5.145 2.494 1.00 0.00 C ATOM 589 C HIS A 43 -9.587 -6.599 2.216 1.00 0.00 C ATOM 590 O HIS A 43 -10.440 -7.440 2.469 1.00 0.00 O ATOM 591 CB HIS A 43 -9.828 -4.338 1.171 1.00 0.00 C ATOM 592 CG HIS A 43 -10.051 -2.850 1.305 1.00 0.00 C ATOM 593 ND1 HIS A 43 -10.031 -2.030 2.382 1.00 0.00 N flip ATOM 594 CD2 HIS A 43 -10.196 -2.052 0.200 1.00 0.00 C flip ATOM 595 CE1 HIS A 43 -10.153 -0.746 1.921 1.00 0.00 C flip ATOM 596 NE2 HIS A 43 -10.254 -0.788 0.600 1.00 0.00 N flip ATOM 0 H HIS A 43 -7.841 -5.139 2.991 1.00 0.00 H new ATOM 0 HA HIS A 43 -10.799 -4.903 2.940 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -8.871 -4.499 0.674 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -10.600 -4.744 0.517 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -10.253 -2.394 -0.823 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -10.165 0.147 2.529 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -10.359 0.022 -0.011 1.00 0.00 H new ATOM 605 N GLY A 44 -8.371 -6.950 1.737 1.00 0.00 N ATOM 606 CA GLY A 44 -8.032 -8.338 1.585 1.00 0.00 C ATOM 607 C GLY A 44 -6.556 -8.373 1.430 1.00 0.00 C ATOM 608 O GLY A 44 -6.065 -8.732 0.367 1.00 0.00 O ATOM 0 H GLY A 44 -7.642 -6.292 1.462 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -8.349 -8.916 2.453 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -8.528 -8.770 0.716 1.00 0.00 H new ATOM 612 N LEU A 45 -5.838 -7.960 2.502 1.00 0.00 N ATOM 613 CA LEU A 45 -4.413 -7.738 2.547 1.00 0.00 C ATOM 614 C LEU A 45 -4.056 -6.474 1.803 1.00 0.00 C ATOM 615 O LEU A 45 -4.941 -5.852 1.220 1.00 0.00 O ATOM 616 CB LEU A 45 -3.494 -9.004 2.499 1.00 0.00 C ATOM 617 CG LEU A 45 -2.500 -9.268 1.335 1.00 0.00 C ATOM 618 CD1 LEU A 45 -1.605 -10.474 1.707 1.00 0.00 C ATOM 619 CD2 LEU A 45 -3.165 -9.515 -0.034 1.00 0.00 C ATOM 0 H LEU A 45 -6.284 -7.768 3.399 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.111 -7.507 3.569 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.906 -8.998 3.417 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -4.153 -9.871 2.549 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.916 -8.356 1.214 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.902 -10.669 0.897 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -1.053 -10.250 2.620 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -2.228 -11.354 1.867 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.396 -9.690 -0.786 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.815 -10.387 0.030 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.755 -8.642 -0.315 1.00 0.00 H new ATOM 631 N ALA A 46 -2.798 -5.986 1.859 1.00 0.00 N ATOM 632 CA ALA A 46 -2.431 -4.788 1.156 1.00 0.00 C ATOM 633 C ALA A 46 -0.956 -4.925 1.133 1.00 0.00 C ATOM 634 O ALA A 46 -0.474 -5.962 1.593 1.00 0.00 O ATOM 635 CB ALA A 46 -2.788 -3.476 1.879 1.00 0.00 C ATOM 0 H ALA A 46 -2.040 -6.417 2.387 1.00 0.00 H new ATOM 0 HA ALA A 46 -2.947 -4.713 0.199 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.472 -2.628 1.271 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -3.866 -3.429 2.036 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.279 -3.441 2.842 1.00 0.00 H new ATOM 641 N CYS A 47 -0.211 -3.893 0.661 1.00 0.00 N ATOM 642 CA CYS A 47 1.236 -3.987 0.705 1.00 0.00 C ATOM 643 C CYS A 47 1.597 -2.996 1.744 1.00 0.00 C ATOM 644 O CYS A 47 0.805 -2.093 1.981 1.00 0.00 O ATOM 645 CB CYS A 47 1.924 -3.590 -0.617 1.00 0.00 C ATOM 646 SG CYS A 47 2.028 -4.972 -1.777 1.00 0.00 S ATOM 0 H CYS A 47 -0.585 -3.030 0.266 1.00 0.00 H new ATOM 0 HA CYS A 47 1.554 -5.012 0.897 1.00 0.00 H new ATOM 0 HB2 CYS A 47 1.373 -2.771 -1.079 1.00 0.00 H new ATOM 0 HB3 CYS A 47 2.927 -3.220 -0.405 1.00 0.00 H new ATOM 651 N TRP A 48 2.769 -3.113 2.410 1.00 0.00 N ATOM 652 CA TRP A 48 3.165 -2.145 3.416 1.00 0.00 C ATOM 653 C TRP A 48 4.242 -1.368 2.741 1.00 0.00 C ATOM 654 O TRP A 48 4.976 -1.917 1.919 1.00 0.00 O ATOM 655 CB TRP A 48 3.677 -2.776 4.750 1.00 0.00 C ATOM 656 CG TRP A 48 4.334 -1.843 5.775 1.00 0.00 C ATOM 657 CD1 TRP A 48 5.657 -1.505 5.880 1.00 0.00 C ATOM 658 CD2 TRP A 48 3.652 -1.108 6.809 1.00 0.00 C ATOM 659 NE1 TRP A 48 5.847 -0.624 6.921 1.00 0.00 N ATOM 660 CE2 TRP A 48 4.631 -0.358 7.496 1.00 0.00 C ATOM 661 CE3 TRP A 48 2.311 -1.030 7.166 1.00 0.00 C ATOM 662 CZ2 TRP A 48 4.282 0.485 8.546 1.00 0.00 C ATOM 663 CZ3 TRP A 48 1.958 -0.183 8.225 1.00 0.00 C ATOM 664 CH2 TRP A 48 2.928 0.568 8.904 1.00 0.00 C ATOM 0 H TRP A 48 3.440 -3.866 2.259 1.00 0.00 H new ATOM 0 HA TRP A 48 2.314 -1.544 3.736 1.00 0.00 H new ATOM 0 HB2 TRP A 48 2.832 -3.265 5.235 1.00 0.00 H new ATOM 0 HB3 TRP A 48 4.395 -3.556 4.498 1.00 0.00 H new ATOM 0 HD1 TRP A 48 6.441 -1.877 5.237 1.00 0.00 H new ATOM 0 HE1 TRP A 48 6.743 -0.234 7.215 1.00 0.00 H new ATOM 0 HE3 TRP A 48 1.562 -1.606 6.642 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 5.032 1.059 9.070 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 0.923 -0.107 8.523 1.00 0.00 H new ATOM 0 HH2 TRP A 48 2.629 1.218 9.713 1.00 0.00 H new ATOM 675 N CYS A 49 4.365 -0.073 3.088 1.00 0.00 N ATOM 676 CA CYS A 49 5.447 0.747 2.644 1.00 0.00 C ATOM 677 C CYS A 49 5.796 1.526 3.853 1.00 0.00 C ATOM 678 O CYS A 49 4.934 1.809 4.681 1.00 0.00 O ATOM 679 CB CYS A 49 5.098 1.758 1.539 1.00 0.00 C ATOM 680 SG CYS A 49 5.000 1.012 -0.106 1.00 0.00 S ATOM 0 H CYS A 49 3.699 0.412 3.689 1.00 0.00 H new ATOM 0 HA CYS A 49 6.225 0.113 2.219 1.00 0.00 H new ATOM 0 HB2 CYS A 49 4.143 2.229 1.775 1.00 0.00 H new ATOM 0 HB3 CYS A 49 5.849 2.548 1.528 1.00 0.00 H new ATOM 685 N ASN A 50 7.088 1.869 3.967 1.00 0.00 N ATOM 686 CA ASN A 50 7.605 2.635 5.055 1.00 0.00 C ATOM 687 C ASN A 50 8.242 3.786 4.351 1.00 0.00 C ATOM 688 O ASN A 50 9.026 3.575 3.425 1.00 0.00 O ATOM 689 CB ASN A 50 8.679 1.858 5.852 1.00 0.00 C ATOM 690 CG ASN A 50 8.476 2.070 7.352 1.00 0.00 C ATOM 691 OD1 ASN A 50 7.852 1.213 7.990 1.00 0.00 O ATOM 692 ND2 ASN A 50 9.008 3.196 7.908 1.00 0.00 N ATOM 0 H ASN A 50 7.796 1.606 3.281 1.00 0.00 H new ATOM 0 HA ASN A 50 6.838 2.905 5.781 1.00 0.00 H new ATOM 0 HB2 ASN A 50 8.620 0.796 5.616 1.00 0.00 H new ATOM 0 HB3 ASN A 50 9.674 2.195 5.561 1.00 0.00 H new ATOM 0 HD21 ASN A 50 8.902 3.370 8.907 1.00 0.00 H new ATOM 0 HD22 ASN A 50 9.512 3.864 7.324 1.00 0.00 H new ATOM 699 N ALA A 51 7.887 5.017 4.775 1.00 0.00 N ATOM 700 CA ALA A 51 8.322 6.276 4.234 1.00 0.00 C ATOM 701 C ALA A 51 7.944 6.415 2.786 1.00 0.00 C ATOM 702 O ALA A 51 8.795 6.257 1.904 1.00 0.00 O ATOM 703 CB ALA A 51 9.818 6.589 4.437 1.00 0.00 C ATOM 0 H ALA A 51 7.245 5.141 5.558 1.00 0.00 H new ATOM 0 HA ALA A 51 7.786 7.023 4.820 1.00 0.00 H new ATOM 0 HB1 ALA A 51 10.050 7.558 3.996 1.00 0.00 H new ATOM 0 HB2 ALA A 51 10.043 6.613 5.503 1.00 0.00 H new ATOM 0 HB3 ALA A 51 10.420 5.818 3.956 1.00 0.00 H new ATOM 709 N LEU A 52 6.645 6.712 2.554 1.00 0.00 N ATOM 710 CA LEU A 52 6.122 7.133 1.276 1.00 0.00 C ATOM 711 C LEU A 52 5.891 8.597 1.477 1.00 0.00 C ATOM 712 O LEU A 52 5.439 8.958 2.566 1.00 0.00 O ATOM 713 CB LEU A 52 4.719 6.585 0.904 1.00 0.00 C ATOM 714 CG LEU A 52 4.694 5.127 0.415 1.00 0.00 C ATOM 715 CD1 LEU A 52 3.263 4.569 0.451 1.00 0.00 C ATOM 716 CD2 LEU A 52 5.285 4.955 -0.994 1.00 0.00 C ATOM 0 H LEU A 52 5.931 6.658 3.281 1.00 0.00 H new ATOM 0 HA LEU A 52 6.814 6.801 0.502 1.00 0.00 H new ATOM 0 HB2 LEU A 52 4.070 6.670 1.776 1.00 0.00 H new ATOM 0 HB3 LEU A 52 4.293 7.219 0.127 1.00 0.00 H new ATOM 0 HG LEU A 52 5.327 4.563 1.100 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.266 3.537 0.101 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.884 4.605 1.472 1.00 0.00 H new ATOM 0 HD13 LEU A 52 2.622 5.169 -0.195 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.239 3.905 -1.282 1.00 0.00 H new ATOM 0 HD22 LEU A 52 4.712 5.552 -1.704 1.00 0.00 H new ATOM 0 HD23 LEU A 52 6.323 5.286 -0.996 1.00 0.00 H new ATOM 728 N PRO A 53 6.133 9.471 0.510 1.00 0.00 N ATOM 729 CA PRO A 53 5.762 10.865 0.609 1.00 0.00 C ATOM 730 C PRO A 53 4.263 11.017 0.611 1.00 0.00 C ATOM 731 O PRO A 53 3.530 10.088 0.279 1.00 0.00 O ATOM 732 CB PRO A 53 6.370 11.516 -0.641 1.00 0.00 C ATOM 733 CG PRO A 53 7.498 10.569 -1.066 1.00 0.00 C ATOM 734 CD PRO A 53 6.944 9.201 -0.678 1.00 0.00 C ATOM 0 HA PRO A 53 6.120 11.324 1.531 1.00 0.00 H new ATOM 0 HB2 PRO A 53 5.627 11.626 -1.431 1.00 0.00 H new ATOM 0 HB3 PRO A 53 6.752 12.513 -0.422 1.00 0.00 H new ATOM 0 HG2 PRO A 53 7.703 10.636 -2.134 1.00 0.00 H new ATOM 0 HG3 PRO A 53 8.431 10.791 -0.548 1.00 0.00 H new ATOM 0 HD2 PRO A 53 6.345 8.771 -1.481 1.00 0.00 H new ATOM 0 HD3 PRO A 53 7.744 8.493 -0.463 1.00 0.00 H new ATOM 742 N ASP A 54 3.754 12.197 0.973 1.00 0.00 N ATOM 743 CA ASP A 54 2.355 12.360 1.299 1.00 0.00 C ATOM 744 C ASP A 54 1.531 12.634 0.070 1.00 0.00 C ATOM 745 O ASP A 54 0.381 13.064 0.149 1.00 0.00 O ATOM 746 CB ASP A 54 2.167 13.538 2.266 1.00 0.00 C ATOM 747 CG ASP A 54 2.978 13.288 3.542 1.00 0.00 C ATOM 748 OD1 ASP A 54 2.613 12.356 4.306 1.00 0.00 O ATOM 749 OD2 ASP A 54 3.985 14.020 3.758 1.00 0.00 O ATOM 0 H ASP A 54 4.303 13.053 1.045 1.00 0.00 H new ATOM 0 HA ASP A 54 2.024 11.429 1.758 1.00 0.00 H new ATOM 0 HB2 ASP A 54 2.490 14.465 1.793 1.00 0.00 H new ATOM 0 HB3 ASP A 54 1.111 13.656 2.511 1.00 0.00 H new ATOM 754 N ASN A 55 2.121 12.374 -1.107 1.00 0.00 N ATOM 755 CA ASN A 55 1.493 12.559 -2.388 1.00 0.00 C ATOM 756 C ASN A 55 1.257 11.205 -2.990 1.00 0.00 C ATOM 757 O ASN A 55 0.931 11.107 -4.170 1.00 0.00 O ATOM 758 CB ASN A 55 2.340 13.434 -3.357 1.00 0.00 C ATOM 759 CG ASN A 55 3.764 12.895 -3.570 1.00 0.00 C ATOM 760 OD1 ASN A 55 4.700 13.339 -2.898 1.00 0.00 O ATOM 761 ND2 ASN A 55 3.923 11.914 -4.500 1.00 0.00 N ATOM 0 H ASN A 55 3.075 12.020 -1.176 1.00 0.00 H new ATOM 0 HA ASN A 55 0.555 13.093 -2.236 1.00 0.00 H new ATOM 0 HB2 ASN A 55 1.833 13.493 -4.320 1.00 0.00 H new ATOM 0 HB3 ASN A 55 2.397 14.449 -2.964 1.00 0.00 H new ATOM 0 HD21 ASN A 55 4.846 11.513 -4.666 1.00 0.00 H new ATOM 0 HD22 ASN A 55 3.119 11.579 -5.031 1.00 0.00 H new ATOM 768 N VAL A 56 1.429 10.130 -2.194 1.00 0.00 N ATOM 769 CA VAL A 56 1.100 8.791 -2.593 1.00 0.00 C ATOM 770 C VAL A 56 -0.167 8.548 -1.823 1.00 0.00 C ATOM 771 O VAL A 56 -0.258 8.994 -0.683 1.00 0.00 O ATOM 772 CB VAL A 56 2.179 7.792 -2.198 1.00 0.00 C ATOM 773 CG1 VAL A 56 1.962 6.464 -2.959 1.00 0.00 C ATOM 774 CG2 VAL A 56 3.559 8.434 -2.489 1.00 0.00 C ATOM 0 H VAL A 56 1.807 10.193 -1.249 1.00 0.00 H new ATOM 0 HA VAL A 56 1.003 8.673 -3.672 1.00 0.00 H new ATOM 0 HB VAL A 56 2.132 7.553 -1.136 1.00 0.00 H new ATOM 0 HG11 VAL A 56 2.736 5.751 -2.674 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.983 6.057 -2.708 1.00 0.00 H new ATOM 0 HG13 VAL A 56 2.014 6.647 -4.032 1.00 0.00 H new ATOM 0 HG21 VAL A 56 4.350 7.736 -2.214 1.00 0.00 H new ATOM 0 HG22 VAL A 56 3.635 8.668 -3.551 1.00 0.00 H new ATOM 0 HG23 VAL A 56 3.664 9.350 -1.907 1.00 0.00 H new ATOM 784 N GLY A 57 -1.187 7.874 -2.399 1.00 0.00 N ATOM 785 CA GLY A 57 -2.439 7.676 -1.709 1.00 0.00 C ATOM 786 C GLY A 57 -2.465 6.256 -1.275 1.00 0.00 C ATOM 787 O GLY A 57 -1.938 5.381 -1.962 1.00 0.00 O ATOM 0 H GLY A 57 -1.149 7.468 -3.334 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -2.519 8.345 -0.852 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -3.282 7.896 -2.364 1.00 0.00 H new ATOM 791 N ILE A 58 -3.036 6.024 -0.076 1.00 0.00 N ATOM 792 CA ILE A 58 -2.875 4.796 0.647 1.00 0.00 C ATOM 793 C ILE A 58 -4.234 4.400 1.184 1.00 0.00 C ATOM 794 O ILE A 58 -5.256 4.804 0.627 1.00 0.00 O ATOM 795 CB ILE A 58 -1.828 4.918 1.754 1.00 0.00 C ATOM 796 CG1 ILE A 58 -2.153 5.960 2.848 1.00 0.00 C ATOM 797 CG2 ILE A 58 -0.447 5.222 1.129 1.00 0.00 C ATOM 798 CD1 ILE A 58 -1.441 5.598 4.152 1.00 0.00 C ATOM 0 H ILE A 58 -3.624 6.706 0.403 1.00 0.00 H new ATOM 0 HA ILE A 58 -2.500 4.017 -0.017 1.00 0.00 H new ATOM 0 HB ILE A 58 -1.826 3.956 2.266 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.843 6.952 2.519 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -3.230 6.001 3.013 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.299 5.309 1.919 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.167 4.414 0.453 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -0.497 6.158 0.573 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -1.678 6.340 4.914 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -1.772 4.615 4.487 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.364 5.580 3.986 1.00 0.00 H new ATOM 810 N ILE A 59 -4.280 3.586 2.278 1.00 0.00 N ATOM 811 CA ILE A 59 -5.517 3.172 2.905 1.00 0.00 C ATOM 812 C ILE A 59 -6.093 4.387 3.582 1.00 0.00 C ATOM 813 O ILE A 59 -5.421 5.033 4.383 1.00 0.00 O ATOM 814 CB ILE A 59 -5.392 2.078 3.978 1.00 0.00 C ATOM 815 CG1 ILE A 59 -4.402 0.952 3.626 1.00 0.00 C ATOM 816 CG2 ILE A 59 -6.792 1.509 4.297 1.00 0.00 C ATOM 817 CD1 ILE A 59 -4.620 0.272 2.286 1.00 0.00 C ATOM 0 H ILE A 59 -3.446 3.212 2.731 1.00 0.00 H new ATOM 0 HA ILE A 59 -6.132 2.748 2.111 1.00 0.00 H new ATOM 0 HB ILE A 59 -4.968 2.554 4.862 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -3.393 1.364 3.643 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -4.450 0.194 4.408 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -6.705 0.733 5.058 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -7.434 2.309 4.666 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -7.226 1.083 3.393 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -3.866 -0.503 2.144 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -5.612 -0.179 2.264 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -4.538 1.009 1.487 1.00 0.00 H new ATOM 829 N VAL A 60 -7.351 4.722 3.248 1.00 0.00 N ATOM 830 CA VAL A 60 -8.117 5.768 3.867 1.00 0.00 C ATOM 831 C VAL A 60 -8.852 5.115 4.996 1.00 0.00 C ATOM 832 O VAL A 60 -8.753 5.548 6.139 1.00 0.00 O ATOM 833 CB VAL A 60 -9.080 6.431 2.888 1.00 0.00 C ATOM 834 CG1 VAL A 60 -9.988 7.452 3.597 1.00 0.00 C ATOM 835 CG2 VAL A 60 -8.243 7.102 1.783 1.00 0.00 C ATOM 0 H VAL A 60 -7.864 4.241 2.509 1.00 0.00 H new ATOM 0 HA VAL A 60 -7.468 6.571 4.218 1.00 0.00 H new ATOM 0 HB VAL A 60 -9.741 5.681 2.453 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -10.662 7.906 2.870 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -10.571 6.947 4.367 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -9.375 8.227 4.056 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -8.907 7.586 1.067 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -7.584 7.848 2.228 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -7.645 6.348 1.271 1.00 0.00 H new