USER MOD reduce.3.24.130724 H: found=0, std=0, add=573, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 569 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 38 MET CE :methyl -148:sc= -0.44 (180deg=-1.92!) USER MOD Set 1.2: A 48 MET CE :methyl 161:sc= -4.72! (180deg=-5.55!) USER MOD Set 2.1: A 20 THR OG1 : rot 76:sc= 1.19 USER MOD Set 2.2: A 51 TYR OH : rot 71:sc= 0.575 USER MOD Set 3.1: A 3 LYS NZ :NH3+ 163:sc= 1.94 (180deg=0.356) USER MOD Set 3.2: A 14 GLN : amide:sc= -0.468! C(o=1.5!,f=-17!) USER MOD Single : A 1 ALA N :NH3+ 175:sc= -0.112 (180deg=-0.142) USER MOD Single : A 4 GLN : amide:sc= -0.0561 K(o=-0.056,f=-0.79) USER MOD Single : A 5 THR OG1 : rot 149:sc= 1.14 USER MOD Single : A 6 HIS : no HD1:sc= -0.078 X(o=-0.078,f=-0.0026) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.224 USER MOD Single : A 16 LYS NZ :NH3+ -157:sc= 0.251 (180deg=0.0929) USER MOD Single : A 18 GLN : amide:sc= -2.91! C(o=-2.9!,f=-5.2!) USER MOD Single : A 22 SER OG : rot 75:sc= 0.45 USER MOD Single : A 24 LYS NZ :NH3+ 152:sc= 0.895 (180deg=0.468) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot -64:sc= 0.745 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 89:sc= 0.133 USER MOD Single : A 40 SER OG : rot 101:sc= 0.423 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= 0.621 K(o=0.62,f=-6.7!) USER MOD Single : A 52 TYR OH : rot 147:sc= 0.593 USER MOD Single : A 58 GLN : amide:sc= 0.0116 K(o=0.012,f=-0.57) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=-0.0031) USER MOD Single : A 76 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -9.708 11.006 -8.608 1.00 0.00 N ATOM 2 CA ALA A 1 -10.496 9.856 -8.184 1.00 0.00 C ATOM 3 C ALA A 1 -10.963 10.005 -6.724 1.00 0.00 C ATOM 4 O ALA A 1 -11.494 9.050 -6.117 1.00 0.00 O ATOM 5 CB ALA A 1 -9.688 8.586 -8.356 1.00 0.00 C ATOM 0 H1 ALA A 1 -9.337 10.839 -9.565 1.00 0.00 H new ATOM 0 H2 ALA A 1 -10.308 11.855 -8.613 1.00 0.00 H new ATOM 0 H3 ALA A 1 -8.915 11.146 -7.949 1.00 0.00 H new ATOM 0 HA ALA A 1 -11.386 9.801 -8.811 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -10.283 7.730 -8.037 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -9.415 8.468 -9.405 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -8.784 8.645 -7.750 1.00 0.00 H new ATOM 13 N ASP A 2 -10.795 11.193 -6.154 1.00 0.00 N ATOM 14 CA ASP A 2 -11.179 11.415 -4.773 1.00 0.00 C ATOM 15 C ASP A 2 -12.629 11.726 -4.621 1.00 0.00 C ATOM 16 O ASP A 2 -13.134 12.702 -5.156 1.00 0.00 O ATOM 17 CB ASP A 2 -10.361 12.497 -4.074 1.00 0.00 C ATOM 18 CG ASP A 2 -8.986 12.049 -3.715 1.00 0.00 C ATOM 19 OD1 ASP A 2 -8.856 11.138 -2.894 1.00 0.00 O ATOM 20 OD2 ASP A 2 -8.014 12.627 -4.229 1.00 0.00 O ATOM 0 H ASP A 2 -10.399 12.007 -6.624 1.00 0.00 H new ATOM 0 HA ASP A 2 -10.965 10.464 -4.285 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -10.294 13.370 -4.723 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -10.882 12.811 -3.170 1.00 0.00 H new ATOM 25 N LYS A 3 -13.281 10.893 -3.896 1.00 0.00 N ATOM 26 CA LYS A 3 -14.659 11.074 -3.528 1.00 0.00 C ATOM 27 C LYS A 3 -14.812 10.836 -2.038 1.00 0.00 C ATOM 28 O LYS A 3 -15.903 10.587 -1.526 1.00 0.00 O ATOM 29 CB LYS A 3 -15.619 10.222 -4.413 1.00 0.00 C ATOM 30 CG LYS A 3 -15.097 8.846 -4.843 1.00 0.00 C ATOM 31 CD LYS A 3 -14.914 7.872 -3.693 1.00 0.00 C ATOM 32 CE LYS A 3 -14.225 6.598 -4.167 1.00 0.00 C ATOM 33 NZ LYS A 3 -12.906 6.896 -4.779 1.00 0.00 N ATOM 0 H LYS A 3 -12.869 10.037 -3.525 1.00 0.00 H new ATOM 0 HA LYS A 3 -14.959 12.103 -3.725 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -16.552 10.080 -3.868 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -15.857 10.794 -5.310 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -15.790 8.415 -5.565 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -14.143 8.973 -5.354 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -14.323 8.339 -2.906 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -15.884 7.627 -3.260 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -14.093 5.918 -3.325 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -14.858 6.087 -4.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -12.341 6.024 -4.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -13.046 7.273 -5.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -12.406 7.600 -4.200 1.00 0.00 H new ATOM 47 N GLN A 4 -13.679 10.975 -1.335 1.00 0.00 N ATOM 48 CA GLN A 4 -13.646 10.851 0.109 1.00 0.00 C ATOM 49 C GLN A 4 -14.330 12.059 0.723 1.00 0.00 C ATOM 50 O GLN A 4 -14.536 13.080 0.043 1.00 0.00 O ATOM 51 CB GLN A 4 -12.204 10.796 0.640 1.00 0.00 C ATOM 52 CG GLN A 4 -11.416 12.076 0.448 1.00 0.00 C ATOM 53 CD GLN A 4 -10.106 12.045 1.178 1.00 0.00 C ATOM 54 OE1 GLN A 4 -9.090 11.647 0.633 1.00 0.00 O ATOM 55 NE2 GLN A 4 -10.132 12.427 2.427 1.00 0.00 N ATOM 0 H GLN A 4 -12.772 11.175 -1.757 1.00 0.00 H new ATOM 0 HA GLN A 4 -14.154 9.925 0.379 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -12.230 10.556 1.703 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -11.677 9.982 0.142 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -11.235 12.234 -0.615 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -12.007 12.922 0.800 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -11.005 12.753 2.843 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -9.280 12.399 2.987 1.00 0.00 H new ATOM 64 N THR A 5 -14.646 11.969 1.971 1.00 0.00 N ATOM 65 CA THR A 5 -15.240 13.053 2.664 1.00 0.00 C ATOM 66 C THR A 5 -14.162 14.088 2.987 1.00 0.00 C ATOM 67 O THR A 5 -12.951 13.755 3.016 1.00 0.00 O ATOM 68 CB THR A 5 -15.932 12.530 3.927 1.00 0.00 C ATOM 69 OG1 THR A 5 -15.033 11.667 4.645 1.00 0.00 O ATOM 70 CG2 THR A 5 -17.173 11.746 3.556 1.00 0.00 C ATOM 0 H THR A 5 -14.497 11.135 2.539 1.00 0.00 H new ATOM 0 HA THR A 5 -15.998 13.537 2.048 1.00 0.00 H new ATOM 0 HB THR A 5 -16.213 13.379 4.550 1.00 0.00 H new ATOM 0 HG1 THR A 5 -15.215 11.732 5.606 1.00 0.00 H new ATOM 0 HG21 THR A 5 -17.656 11.379 4.462 1.00 0.00 H new ATOM 0 HG22 THR A 5 -17.863 12.392 3.013 1.00 0.00 H new ATOM 0 HG23 THR A 5 -16.895 10.901 2.926 1.00 0.00 H new ATOM 78 N HIS A 6 -14.554 15.326 3.172 1.00 0.00 N ATOM 79 CA HIS A 6 -13.584 16.355 3.461 1.00 0.00 C ATOM 80 C HIS A 6 -13.160 16.307 4.910 1.00 0.00 C ATOM 81 O HIS A 6 -13.850 16.836 5.808 1.00 0.00 O ATOM 82 CB HIS A 6 -14.048 17.754 3.029 1.00 0.00 C ATOM 83 CG HIS A 6 -14.154 17.922 1.541 1.00 0.00 C ATOM 84 ND1 HIS A 6 -15.171 18.596 0.910 1.00 0.00 N ATOM 85 CD2 HIS A 6 -13.322 17.504 0.556 1.00 0.00 C ATOM 86 CE1 HIS A 6 -14.939 18.566 -0.403 1.00 0.00 C ATOM 87 NE2 HIS A 6 -13.825 17.912 -0.674 1.00 0.00 N ATOM 0 H HIS A 6 -15.523 15.642 3.129 1.00 0.00 H new ATOM 0 HA HIS A 6 -12.703 16.144 2.854 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -15.019 17.960 3.479 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -13.351 18.495 3.421 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -12.411 16.942 0.704 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -15.579 19.018 -1.147 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -13.418 17.742 -1.594 1.00 0.00 H new ATOM 95 N GLU A 7 -12.083 15.575 5.120 1.00 0.00 N ATOM 96 CA GLU A 7 -11.438 15.341 6.383 1.00 0.00 C ATOM 97 C GLU A 7 -10.196 14.518 6.094 1.00 0.00 C ATOM 98 O GLU A 7 -9.928 14.224 4.925 1.00 0.00 O ATOM 99 CB GLU A 7 -12.381 14.615 7.339 1.00 0.00 C ATOM 100 CG GLU A 7 -12.921 13.344 6.773 1.00 0.00 C ATOM 101 CD GLU A 7 -14.079 12.807 7.550 1.00 0.00 C ATOM 102 OE1 GLU A 7 -13.903 12.343 8.690 1.00 0.00 O ATOM 103 OE2 GLU A 7 -15.206 12.835 7.025 1.00 0.00 O ATOM 0 H GLU A 7 -11.608 15.098 4.354 1.00 0.00 H new ATOM 0 HA GLU A 7 -11.166 16.278 6.868 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -11.852 14.397 8.267 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -13.211 15.275 7.593 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -13.230 13.514 5.741 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -12.128 12.597 6.750 1.00 0.00 H new ATOM 110 N THR A 8 -9.457 14.128 7.109 1.00 0.00 N ATOM 111 CA THR A 8 -8.222 13.367 6.898 1.00 0.00 C ATOM 112 C THR A 8 -8.517 11.848 6.843 1.00 0.00 C ATOM 113 O THR A 8 -7.629 11.003 6.670 1.00 0.00 O ATOM 114 CB THR A 8 -7.199 13.710 8.008 1.00 0.00 C ATOM 115 OG1 THR A 8 -7.229 15.138 8.236 1.00 0.00 O ATOM 116 CG2 THR A 8 -5.782 13.325 7.597 1.00 0.00 C ATOM 0 H THR A 8 -9.678 14.318 8.086 1.00 0.00 H new ATOM 0 HA THR A 8 -7.789 13.647 5.938 1.00 0.00 H new ATOM 0 HB THR A 8 -7.467 13.154 8.906 1.00 0.00 H new ATOM 0 HG1 THR A 8 -6.587 15.371 8.939 1.00 0.00 H new ATOM 0 HG21 THR A 8 -5.089 13.579 8.399 1.00 0.00 H new ATOM 0 HG22 THR A 8 -5.737 12.253 7.405 1.00 0.00 H new ATOM 0 HG23 THR A 8 -5.505 13.867 6.693 1.00 0.00 H new ATOM 124 N GLU A 9 -9.765 11.546 6.932 1.00 0.00 N ATOM 125 CA GLU A 9 -10.261 10.200 6.932 1.00 0.00 C ATOM 126 C GLU A 9 -10.741 9.841 5.548 1.00 0.00 C ATOM 127 O GLU A 9 -11.303 10.682 4.835 1.00 0.00 O ATOM 128 CB GLU A 9 -11.402 10.098 7.909 1.00 0.00 C ATOM 129 CG GLU A 9 -11.014 10.247 9.364 1.00 0.00 C ATOM 130 CD GLU A 9 -10.253 9.060 9.873 1.00 0.00 C ATOM 131 OE1 GLU A 9 -10.889 8.119 10.418 1.00 0.00 O ATOM 132 OE2 GLU A 9 -9.017 9.032 9.760 1.00 0.00 O ATOM 0 H GLU A 9 -10.500 12.249 7.010 1.00 0.00 H new ATOM 0 HA GLU A 9 -9.467 9.512 7.224 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -12.139 10.863 7.665 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -11.889 9.132 7.776 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -10.408 11.144 9.486 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -11.913 10.385 9.965 1.00 0.00 H new ATOM 139 N LEU A 10 -10.513 8.614 5.158 1.00 0.00 N ATOM 140 CA LEU A 10 -10.905 8.169 3.863 1.00 0.00 C ATOM 141 C LEU A 10 -11.662 6.882 3.993 1.00 0.00 C ATOM 142 O LEU A 10 -11.810 6.346 5.091 1.00 0.00 O ATOM 143 CB LEU A 10 -9.707 7.911 2.967 1.00 0.00 C ATOM 144 CG LEU A 10 -8.498 8.808 3.119 1.00 0.00 C ATOM 145 CD1 LEU A 10 -7.581 8.261 4.196 1.00 0.00 C ATOM 146 CD2 LEU A 10 -7.791 8.920 1.808 1.00 0.00 C ATOM 0 H LEU A 10 -10.053 7.906 5.730 1.00 0.00 H new ATOM 0 HA LEU A 10 -11.518 8.953 3.419 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -9.383 6.883 3.131 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -10.044 7.977 1.932 1.00 0.00 H new ATOM 0 HG LEU A 10 -8.815 9.806 3.423 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -6.713 8.912 4.300 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -8.118 8.218 5.144 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -7.252 7.259 3.920 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -6.920 9.566 1.918 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -7.470 7.931 1.482 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -8.466 9.345 1.065 1.00 0.00 H new ATOM 158 N THR A 11 -12.099 6.370 2.880 1.00 0.00 N ATOM 159 CA THR A 11 -12.856 5.156 2.847 1.00 0.00 C ATOM 160 C THR A 11 -11.951 4.014 2.417 1.00 0.00 C ATOM 161 O THR A 11 -10.810 4.254 2.004 1.00 0.00 O ATOM 162 CB THR A 11 -14.043 5.289 1.860 1.00 0.00 C ATOM 163 OG1 THR A 11 -13.535 5.279 0.512 1.00 0.00 O ATOM 164 CG2 THR A 11 -14.740 6.631 2.055 1.00 0.00 C ATOM 0 H THR A 11 -11.938 6.787 1.963 1.00 0.00 H new ATOM 0 HA THR A 11 -13.254 4.954 3.842 1.00 0.00 H new ATOM 0 HB THR A 11 -14.735 4.466 2.039 1.00 0.00 H new ATOM 0 HG1 THR A 11 -14.280 5.361 -0.119 1.00 0.00 H new ATOM 0 HG21 THR A 11 -15.572 6.714 1.356 1.00 0.00 H new ATOM 0 HG22 THR A 11 -15.115 6.701 3.076 1.00 0.00 H new ATOM 0 HG23 THR A 11 -14.031 7.439 1.872 1.00 0.00 H new ATOM 172 N PHE A 12 -12.452 2.788 2.501 1.00 0.00 N ATOM 173 CA PHE A 12 -11.680 1.623 2.102 1.00 0.00 C ATOM 174 C PHE A 12 -11.301 1.706 0.624 1.00 0.00 C ATOM 175 O PHE A 12 -10.189 1.395 0.209 1.00 0.00 O ATOM 176 CB PHE A 12 -12.443 0.318 2.427 1.00 0.00 C ATOM 177 CG PHE A 12 -11.751 -0.950 1.995 1.00 0.00 C ATOM 178 CD1 PHE A 12 -12.438 -1.918 1.290 1.00 0.00 C ATOM 179 CD2 PHE A 12 -10.417 -1.161 2.276 1.00 0.00 C ATOM 180 CE1 PHE A 12 -11.807 -3.073 0.874 1.00 0.00 C ATOM 181 CE2 PHE A 12 -9.783 -2.313 1.865 1.00 0.00 C ATOM 182 CZ PHE A 12 -10.473 -3.266 1.166 1.00 0.00 C ATOM 0 H PHE A 12 -13.390 2.577 2.842 1.00 0.00 H new ATOM 0 HA PHE A 12 -10.754 1.609 2.677 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -12.613 0.273 3.503 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -13.423 0.360 1.951 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -13.483 -1.770 1.061 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -9.863 -0.414 2.825 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -12.355 -3.822 0.322 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -8.739 -2.464 2.095 1.00 0.00 H new ATOM 0 HZ PHE A 12 -9.974 -4.168 0.844 1.00 0.00 H new ATOM 192 N ASP A 13 -12.250 2.234 -0.119 1.00 0.00 N ATOM 193 CA ASP A 13 -12.069 2.508 -1.548 1.00 0.00 C ATOM 194 C ASP A 13 -11.018 3.551 -1.791 1.00 0.00 C ATOM 195 O ASP A 13 -10.187 3.412 -2.667 1.00 0.00 O ATOM 196 CB ASP A 13 -13.374 2.864 -2.262 1.00 0.00 C ATOM 197 CG ASP A 13 -14.269 1.665 -2.451 1.00 0.00 C ATOM 198 OD1 ASP A 13 -15.307 1.553 -1.773 1.00 0.00 O ATOM 199 OD2 ASP A 13 -13.943 0.783 -3.262 1.00 0.00 O ATOM 0 H ASP A 13 -13.170 2.489 0.239 1.00 0.00 H new ATOM 0 HA ASP A 13 -11.720 1.572 -1.985 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -13.904 3.623 -1.687 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -13.146 3.301 -3.234 1.00 0.00 H new ATOM 204 N GLN A 14 -10.997 4.533 -0.929 1.00 0.00 N ATOM 205 CA GLN A 14 -10.079 5.649 -1.032 1.00 0.00 C ATOM 206 C GLN A 14 -8.692 5.223 -0.654 1.00 0.00 C ATOM 207 O GLN A 14 -7.708 5.658 -1.237 1.00 0.00 O ATOM 208 CB GLN A 14 -10.561 6.781 -0.165 1.00 0.00 C ATOM 209 CG GLN A 14 -11.726 7.527 -0.772 1.00 0.00 C ATOM 210 CD GLN A 14 -11.274 8.499 -1.836 1.00 0.00 C ATOM 211 OE1 GLN A 14 -11.961 8.719 -2.826 1.00 0.00 O ATOM 212 NE2 GLN A 14 -10.188 9.161 -1.579 1.00 0.00 N ATOM 0 H GLN A 14 -11.622 4.586 -0.125 1.00 0.00 H new ATOM 0 HA GLN A 14 -10.046 5.996 -2.065 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -10.854 6.388 0.808 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -9.740 7.477 0.007 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -12.428 6.815 -1.205 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -12.260 8.066 0.010 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -9.645 8.945 -0.743 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -9.877 9.897 -2.213 1.00 0.00 H new ATOM 221 N VAL A 15 -8.618 4.383 0.342 1.00 0.00 N ATOM 222 CA VAL A 15 -7.375 3.930 0.835 1.00 0.00 C ATOM 223 C VAL A 15 -6.773 2.971 -0.151 1.00 0.00 C ATOM 224 O VAL A 15 -5.563 2.983 -0.394 1.00 0.00 O ATOM 225 CB VAL A 15 -7.457 3.365 2.260 1.00 0.00 C ATOM 226 CG1 VAL A 15 -6.137 2.745 2.608 1.00 0.00 C ATOM 227 CG2 VAL A 15 -7.729 4.497 3.239 1.00 0.00 C ATOM 0 H VAL A 15 -9.430 4.000 0.827 1.00 0.00 H new ATOM 0 HA VAL A 15 -6.709 4.787 0.932 1.00 0.00 H new ATOM 0 HB VAL A 15 -8.256 2.626 2.316 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -6.181 2.339 3.619 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -5.915 1.943 1.904 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -5.354 3.502 2.555 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -7.787 4.097 4.251 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -6.922 5.228 3.184 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -8.673 4.979 2.985 1.00 0.00 H new ATOM 237 N LYS A 16 -7.599 2.162 -0.739 1.00 0.00 N ATOM 238 CA LYS A 16 -7.176 1.319 -1.809 1.00 0.00 C ATOM 239 C LYS A 16 -6.598 2.166 -2.916 1.00 0.00 C ATOM 240 O LYS A 16 -5.490 1.951 -3.349 1.00 0.00 O ATOM 241 CB LYS A 16 -8.345 0.486 -2.320 1.00 0.00 C ATOM 242 CG LYS A 16 -8.616 -0.788 -1.525 1.00 0.00 C ATOM 243 CD LYS A 16 -9.746 -1.628 -2.128 1.00 0.00 C ATOM 244 CE LYS A 16 -11.078 -0.897 -2.094 1.00 0.00 C ATOM 245 NZ LYS A 16 -12.193 -1.707 -2.632 1.00 0.00 N ATOM 0 H LYS A 16 -8.584 2.069 -0.490 1.00 0.00 H new ATOM 0 HA LYS A 16 -6.407 0.635 -1.449 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -9.244 1.102 -2.310 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -8.155 0.216 -3.359 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -7.706 -1.386 -1.483 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -8.872 -0.524 -0.499 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -9.498 -1.883 -3.158 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -9.833 -2.566 -1.580 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -11.305 -0.613 -1.066 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -10.995 0.025 -2.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -12.958 -1.078 -2.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -11.855 -2.272 -3.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -12.551 -2.341 -1.890 1.00 0.00 H new ATOM 259 N GLU A 17 -7.315 3.173 -3.311 1.00 0.00 N ATOM 260 CA GLU A 17 -6.837 4.068 -4.329 1.00 0.00 C ATOM 261 C GLU A 17 -5.547 4.824 -3.939 1.00 0.00 C ATOM 262 O GLU A 17 -4.751 5.154 -4.822 1.00 0.00 O ATOM 263 CB GLU A 17 -7.948 4.980 -4.825 1.00 0.00 C ATOM 264 CG GLU A 17 -9.029 4.194 -5.547 1.00 0.00 C ATOM 265 CD GLU A 17 -10.205 5.016 -5.971 1.00 0.00 C ATOM 266 OE1 GLU A 17 -10.140 5.649 -7.027 1.00 0.00 O ATOM 267 OE2 GLU A 17 -11.244 4.985 -5.281 1.00 0.00 O ATOM 0 H GLU A 17 -8.239 3.399 -2.944 1.00 0.00 H new ATOM 0 HA GLU A 17 -6.533 3.448 -5.173 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -8.386 5.514 -3.982 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -7.532 5.731 -5.497 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -8.593 3.723 -6.428 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -9.376 3.392 -4.895 1.00 0.00 H new ATOM 274 N GLN A 18 -5.284 5.036 -2.618 1.00 0.00 N ATOM 275 CA GLN A 18 -4.079 5.732 -2.226 1.00 0.00 C ATOM 276 C GLN A 18 -2.899 4.839 -2.475 1.00 0.00 C ATOM 277 O GLN A 18 -1.937 5.197 -3.156 1.00 0.00 O ATOM 278 CB GLN A 18 -4.145 6.334 -0.793 1.00 0.00 C ATOM 279 CG GLN A 18 -4.014 5.387 0.358 1.00 0.00 C ATOM 280 CD GLN A 18 -4.016 6.096 1.683 1.00 0.00 C ATOM 281 OE1 GLN A 18 -2.974 6.458 2.195 1.00 0.00 O ATOM 282 NE2 GLN A 18 -5.171 6.349 2.222 1.00 0.00 N ATOM 0 H GLN A 18 -5.883 4.737 -1.849 1.00 0.00 H new ATOM 0 HA GLN A 18 -3.964 6.619 -2.849 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -3.357 7.082 -0.705 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -5.095 6.858 -0.691 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -4.835 4.670 0.331 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -3.090 4.818 0.254 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -6.027 6.031 1.767 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -5.222 6.865 3.100 1.00 0.00 H new ATOM 291 N LEU A 19 -3.034 3.666 -1.959 1.00 0.00 N ATOM 292 CA LEU A 19 -2.052 2.650 -1.993 1.00 0.00 C ATOM 293 C LEU A 19 -1.804 2.148 -3.394 1.00 0.00 C ATOM 294 O LEU A 19 -0.668 1.835 -3.759 1.00 0.00 O ATOM 295 CB LEU A 19 -2.527 1.561 -1.103 1.00 0.00 C ATOM 296 CG LEU A 19 -2.407 1.818 0.393 1.00 0.00 C ATOM 297 CD1 LEU A 19 -3.067 0.715 1.162 1.00 0.00 C ATOM 298 CD2 LEU A 19 -0.944 1.958 0.812 1.00 0.00 C ATOM 0 H LEU A 19 -3.885 3.379 -1.475 1.00 0.00 H new ATOM 0 HA LEU A 19 -1.094 3.041 -1.650 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.573 1.361 -1.334 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.969 0.655 -1.341 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.912 2.757 0.618 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.974 0.910 2.230 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.122 0.664 0.892 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.586 -0.233 0.924 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.889 2.141 1.885 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.407 1.040 0.572 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -0.491 2.793 0.278 1.00 0.00 H new ATOM 310 N THR A 20 -2.859 2.095 -4.169 1.00 0.00 N ATOM 311 CA THR A 20 -2.773 1.700 -5.548 1.00 0.00 C ATOM 312 C THR A 20 -1.807 2.612 -6.289 1.00 0.00 C ATOM 313 O THR A 20 -0.836 2.140 -6.861 1.00 0.00 O ATOM 314 CB THR A 20 -4.178 1.774 -6.208 1.00 0.00 C ATOM 315 OG1 THR A 20 -5.038 0.727 -5.719 1.00 0.00 O ATOM 316 CG2 THR A 20 -4.103 1.751 -7.729 1.00 0.00 C ATOM 0 H THR A 20 -3.803 2.326 -3.858 1.00 0.00 H new ATOM 0 HA THR A 20 -2.407 0.675 -5.601 1.00 0.00 H new ATOM 0 HB THR A 20 -4.611 2.733 -5.923 1.00 0.00 H new ATOM 0 HG1 THR A 20 -5.349 0.953 -4.818 1.00 0.00 H new ATOM 0 HG21 THR A 20 -5.110 1.805 -8.144 1.00 0.00 H new ATOM 0 HG22 THR A 20 -3.521 2.604 -8.078 1.00 0.00 H new ATOM 0 HG23 THR A 20 -3.625 0.828 -8.056 1.00 0.00 H new ATOM 324 N GLU A 21 -2.015 3.902 -6.144 1.00 0.00 N ATOM 325 CA GLU A 21 -1.262 4.907 -6.879 1.00 0.00 C ATOM 326 C GLU A 21 0.223 4.837 -6.513 1.00 0.00 C ATOM 327 O GLU A 21 1.102 4.869 -7.372 1.00 0.00 O ATOM 328 CB GLU A 21 -1.829 6.269 -6.535 1.00 0.00 C ATOM 329 CG GLU A 21 -1.239 7.432 -7.317 1.00 0.00 C ATOM 330 CD GLU A 21 -1.548 8.760 -6.677 1.00 0.00 C ATOM 331 OE1 GLU A 21 -2.725 9.159 -6.628 1.00 0.00 O ATOM 332 OE2 GLU A 21 -0.615 9.422 -6.176 1.00 0.00 O ATOM 0 H GLU A 21 -2.714 4.290 -5.511 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.348 4.728 -7.951 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -2.906 6.249 -6.702 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -1.674 6.451 -5.472 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -0.159 7.308 -7.390 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -1.631 7.420 -8.334 1.00 0.00 H new ATOM 339 N SER A 22 0.461 4.669 -5.238 1.00 0.00 N ATOM 340 CA SER A 22 1.807 4.644 -4.688 1.00 0.00 C ATOM 341 C SER A 22 2.582 3.446 -5.217 1.00 0.00 C ATOM 342 O SER A 22 3.723 3.580 -5.682 1.00 0.00 O ATOM 343 CB SER A 22 1.750 4.624 -3.162 1.00 0.00 C ATOM 344 OG SER A 22 0.990 5.724 -2.680 1.00 0.00 O ATOM 0 H SER A 22 -0.273 4.544 -4.541 1.00 0.00 H new ATOM 0 HA SER A 22 2.330 5.547 -5.003 1.00 0.00 H new ATOM 0 HB2 SER A 22 1.305 3.689 -2.821 1.00 0.00 H new ATOM 0 HB3 SER A 22 2.760 4.665 -2.753 1.00 0.00 H new ATOM 0 HG SER A 22 0.037 5.556 -2.835 1.00 0.00 H new ATOM 350 N GLY A 23 1.938 2.286 -5.207 1.00 0.00 N ATOM 351 CA GLY A 23 2.552 1.080 -5.698 1.00 0.00 C ATOM 352 C GLY A 23 2.804 1.156 -7.169 1.00 0.00 C ATOM 353 O GLY A 23 3.789 0.651 -7.655 1.00 0.00 O ATOM 0 H GLY A 23 0.986 2.165 -4.861 1.00 0.00 H new ATOM 0 HA2 GLY A 23 3.493 0.910 -5.175 1.00 0.00 H new ATOM 0 HA3 GLY A 23 1.908 0.228 -5.481 1.00 0.00 H new ATOM 357 N LYS A 24 1.903 1.817 -7.850 1.00 0.00 N ATOM 358 CA LYS A 24 2.008 2.023 -9.269 1.00 0.00 C ATOM 359 C LYS A 24 3.204 2.868 -9.641 1.00 0.00 C ATOM 360 O LYS A 24 3.839 2.636 -10.663 1.00 0.00 O ATOM 361 CB LYS A 24 0.731 2.627 -9.777 1.00 0.00 C ATOM 362 CG LYS A 24 -0.441 1.659 -9.710 1.00 0.00 C ATOM 363 CD LYS A 24 -0.357 0.566 -10.778 1.00 0.00 C ATOM 364 CE LYS A 24 -0.495 1.144 -12.170 1.00 0.00 C ATOM 365 NZ LYS A 24 -0.144 0.191 -13.241 1.00 0.00 N ATOM 0 H LYS A 24 1.070 2.230 -7.431 1.00 0.00 H new ATOM 0 HA LYS A 24 2.164 1.055 -9.745 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.497 3.517 -9.193 1.00 0.00 H new ATOM 0 HB3 LYS A 24 0.872 2.951 -10.808 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -0.471 1.197 -8.723 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -1.373 2.212 -9.832 1.00 0.00 H new ATOM 0 HD2 LYS A 24 0.596 0.043 -10.692 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -1.142 -0.171 -10.609 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -1.522 1.479 -12.315 1.00 0.00 H new ATOM 0 HE3 LYS A 24 0.143 2.024 -12.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -0.674 0.428 -14.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 0.876 0.247 -13.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -0.386 -0.774 -12.940 1.00 0.00 H new ATOM 379 N LYS A 25 3.533 3.822 -8.801 1.00 0.00 N ATOM 380 CA LYS A 25 4.645 4.703 -9.045 1.00 0.00 C ATOM 381 C LYS A 25 5.966 4.017 -8.752 1.00 0.00 C ATOM 382 O LYS A 25 6.948 4.207 -9.455 1.00 0.00 O ATOM 383 CB LYS A 25 4.488 5.985 -8.227 1.00 0.00 C ATOM 384 CG LYS A 25 3.257 6.800 -8.616 1.00 0.00 C ATOM 385 CD LYS A 25 3.090 8.050 -7.766 1.00 0.00 C ATOM 386 CE LYS A 25 4.209 9.051 -7.990 1.00 0.00 C ATOM 387 NZ LYS A 25 4.017 10.262 -7.179 1.00 0.00 N ATOM 0 H LYS A 25 3.035 4.007 -7.930 1.00 0.00 H new ATOM 0 HA LYS A 25 4.650 4.969 -10.102 1.00 0.00 H new ATOM 0 HB2 LYS A 25 4.426 5.728 -7.169 1.00 0.00 H new ATOM 0 HB3 LYS A 25 5.378 6.601 -8.354 1.00 0.00 H new ATOM 0 HG2 LYS A 25 3.332 7.086 -9.665 1.00 0.00 H new ATOM 0 HG3 LYS A 25 2.368 6.177 -8.518 1.00 0.00 H new ATOM 0 HD2 LYS A 25 2.134 8.519 -7.997 1.00 0.00 H new ATOM 0 HD3 LYS A 25 3.061 7.770 -6.713 1.00 0.00 H new ATOM 0 HE2 LYS A 25 5.165 8.592 -7.740 1.00 0.00 H new ATOM 0 HE3 LYS A 25 4.252 9.321 -9.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 4.798 10.925 -7.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 3.116 10.713 -7.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 4.001 10.006 -6.171 1.00 0.00 H new ATOM 401 N ARG A 26 5.973 3.211 -7.717 1.00 0.00 N ATOM 402 CA ARG A 26 7.196 2.557 -7.272 1.00 0.00 C ATOM 403 C ARG A 26 7.456 1.271 -8.032 1.00 0.00 C ATOM 404 O ARG A 26 8.564 0.985 -8.472 1.00 0.00 O ATOM 405 CB ARG A 26 7.115 2.190 -5.806 1.00 0.00 C ATOM 406 CG ARG A 26 6.753 3.294 -4.849 1.00 0.00 C ATOM 407 CD ARG A 26 6.695 2.702 -3.472 1.00 0.00 C ATOM 408 NE ARG A 26 6.069 3.550 -2.484 1.00 0.00 N ATOM 409 CZ ARG A 26 5.660 3.085 -1.311 1.00 0.00 C ATOM 410 NH1 ARG A 26 6.190 1.961 -0.822 1.00 0.00 N ATOM 411 NH2 ARG A 26 4.835 3.785 -0.567 1.00 0.00 N ATOM 0 H ARG A 26 5.147 2.987 -7.161 1.00 0.00 H new ATOM 0 HA ARG A 26 7.999 3.271 -7.452 1.00 0.00 H new ATOM 0 HB2 ARG A 26 6.382 1.391 -5.696 1.00 0.00 H new ATOM 0 HB3 ARG A 26 8.079 1.781 -5.504 1.00 0.00 H new ATOM 0 HG2 ARG A 26 7.492 4.094 -4.891 1.00 0.00 H new ATOM 0 HG3 ARG A 26 5.792 3.733 -5.117 1.00 0.00 H new ATOM 0 HD2 ARG A 26 6.153 1.757 -3.518 1.00 0.00 H new ATOM 0 HD3 ARG A 26 7.709 2.472 -3.146 1.00 0.00 H new ATOM 0 HE ARG A 26 5.937 4.539 -2.695 1.00 0.00 H new ATOM 0 HH11 ARG A 26 6.907 1.463 -1.350 1.00 0.00 H new ATOM 0 HH12 ARG A 26 5.878 1.600 0.080 1.00 0.00 H new ATOM 0 HH21 ARG A 26 4.504 4.694 -0.890 1.00 0.00 H new ATOM 0 HH22 ARG A 26 4.526 3.420 0.334 1.00 0.00 H new ATOM 425 N GLY A 27 6.403 0.494 -8.138 1.00 0.00 N ATOM 426 CA GLY A 27 6.451 -0.818 -8.706 1.00 0.00 C ATOM 427 C GLY A 27 6.404 -1.834 -7.605 1.00 0.00 C ATOM 428 O GLY A 27 6.502 -3.043 -7.831 1.00 0.00 O ATOM 0 H GLY A 27 5.473 0.770 -7.823 1.00 0.00 H new ATOM 0 HA2 GLY A 27 5.612 -0.963 -9.387 1.00 0.00 H new ATOM 0 HA3 GLY A 27 7.362 -0.941 -9.292 1.00 0.00 H new ATOM 432 N VAL A 28 6.212 -1.347 -6.398 1.00 0.00 N ATOM 433 CA VAL A 28 6.260 -2.174 -5.244 1.00 0.00 C ATOM 434 C VAL A 28 5.596 -1.475 -4.071 1.00 0.00 C ATOM 435 O VAL A 28 5.442 -0.251 -4.075 1.00 0.00 O ATOM 436 CB VAL A 28 7.733 -2.499 -4.907 1.00 0.00 C ATOM 437 CG1 VAL A 28 8.480 -1.293 -4.387 1.00 0.00 C ATOM 438 CG2 VAL A 28 7.857 -3.673 -3.995 1.00 0.00 C ATOM 0 H VAL A 28 6.019 -0.364 -6.204 1.00 0.00 H new ATOM 0 HA VAL A 28 5.723 -3.101 -5.443 1.00 0.00 H new ATOM 0 HB VAL A 28 8.211 -2.781 -5.845 1.00 0.00 H new ATOM 0 HG11 VAL A 28 9.510 -1.571 -4.164 1.00 0.00 H new ATOM 0 HG12 VAL A 28 8.472 -0.507 -5.142 1.00 0.00 H new ATOM 0 HG13 VAL A 28 7.998 -0.930 -3.479 1.00 0.00 H new ATOM 0 HG21 VAL A 28 8.910 -3.863 -3.787 1.00 0.00 H new ATOM 0 HG22 VAL A 28 7.334 -3.465 -3.061 1.00 0.00 H new ATOM 0 HG23 VAL A 28 7.417 -4.550 -4.469 1.00 0.00 H new ATOM 448 N LEU A 29 5.153 -2.267 -3.137 1.00 0.00 N ATOM 449 CA LEU A 29 4.598 -1.829 -1.887 1.00 0.00 C ATOM 450 C LEU A 29 4.883 -2.894 -0.870 1.00 0.00 C ATOM 451 O LEU A 29 4.870 -4.058 -1.216 1.00 0.00 O ATOM 452 CB LEU A 29 3.081 -1.703 -1.975 1.00 0.00 C ATOM 453 CG LEU A 29 2.491 -0.539 -2.736 1.00 0.00 C ATOM 454 CD1 LEU A 29 0.999 -0.729 -2.868 1.00 0.00 C ATOM 455 CD2 LEU A 29 2.767 0.753 -2.006 1.00 0.00 C ATOM 0 H LEU A 29 5.169 -3.283 -3.230 1.00 0.00 H new ATOM 0 HA LEU A 29 5.031 -0.863 -1.628 1.00 0.00 H new ATOM 0 HB2 LEU A 29 2.699 -2.619 -2.425 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.693 -1.662 -0.957 1.00 0.00 H new ATOM 0 HG LEU A 29 2.947 -0.495 -3.725 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.572 0.111 -3.417 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.796 -1.655 -3.406 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.550 -0.780 -1.876 1.00 0.00 H new ATOM 0 HD21 LEU A 29 2.337 1.585 -2.564 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.320 0.712 -1.013 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.844 0.896 -1.914 1.00 0.00 H new ATOM 467 N THR A 30 5.187 -2.533 0.342 1.00 0.00 N ATOM 468 CA THR A 30 5.271 -3.529 1.380 1.00 0.00 C ATOM 469 C THR A 30 3.861 -3.977 1.765 1.00 0.00 C ATOM 470 O THR A 30 2.950 -3.148 1.843 1.00 0.00 O ATOM 471 CB THR A 30 6.009 -3.035 2.650 1.00 0.00 C ATOM 472 OG1 THR A 30 5.452 -1.839 3.130 1.00 0.00 O ATOM 473 CG2 THR A 30 7.476 -2.850 2.419 1.00 0.00 C ATOM 0 H THR A 30 5.379 -1.576 0.637 1.00 0.00 H new ATOM 0 HA THR A 30 5.853 -4.357 0.975 1.00 0.00 H new ATOM 0 HB THR A 30 5.882 -3.815 3.401 1.00 0.00 H new ATOM 0 HG1 THR A 30 5.584 -1.128 2.468 1.00 0.00 H new ATOM 0 HG21 THR A 30 7.948 -2.503 3.338 1.00 0.00 H new ATOM 0 HG22 THR A 30 7.920 -3.799 2.119 1.00 0.00 H new ATOM 0 HG23 THR A 30 7.630 -2.113 1.631 1.00 0.00 H new ATOM 481 N TYR A 31 3.689 -5.279 1.994 1.00 0.00 N ATOM 482 CA TYR A 31 2.397 -5.857 2.408 1.00 0.00 C ATOM 483 C TYR A 31 1.836 -5.100 3.608 1.00 0.00 C ATOM 484 O TYR A 31 0.649 -4.777 3.671 1.00 0.00 O ATOM 485 CB TYR A 31 2.536 -7.352 2.818 1.00 0.00 C ATOM 486 CG TYR A 31 2.818 -8.371 1.711 1.00 0.00 C ATOM 487 CD1 TYR A 31 1.829 -8.745 0.825 1.00 0.00 C ATOM 488 CD2 TYR A 31 4.055 -9.000 1.599 1.00 0.00 C ATOM 489 CE1 TYR A 31 2.053 -9.706 -0.143 1.00 0.00 C ATOM 490 CE2 TYR A 31 4.293 -9.952 0.628 1.00 0.00 C ATOM 491 CZ TYR A 31 3.289 -10.303 -0.239 1.00 0.00 C ATOM 492 OH TYR A 31 3.514 -11.276 -1.200 1.00 0.00 O ATOM 0 H TYR A 31 4.436 -5.967 1.900 1.00 0.00 H new ATOM 0 HA TYR A 31 1.730 -5.776 1.550 1.00 0.00 H new ATOM 0 HB2 TYR A 31 3.338 -7.425 3.553 1.00 0.00 H new ATOM 0 HB3 TYR A 31 1.615 -7.649 3.320 1.00 0.00 H new ATOM 0 HD1 TYR A 31 0.858 -8.277 0.889 1.00 0.00 H new ATOM 0 HD2 TYR A 31 4.845 -8.738 2.287 1.00 0.00 H new ATOM 0 HE1 TYR A 31 1.261 -9.987 -0.821 1.00 0.00 H new ATOM 0 HE2 TYR A 31 5.264 -10.418 0.551 1.00 0.00 H new ATOM 0 HH TYR A 31 4.439 -11.594 -1.133 1.00 0.00 H new ATOM 502 N GLU A 32 2.715 -4.762 4.520 1.00 0.00 N ATOM 503 CA GLU A 32 2.302 -4.188 5.757 1.00 0.00 C ATOM 504 C GLU A 32 2.024 -2.673 5.698 1.00 0.00 C ATOM 505 O GLU A 32 1.202 -2.186 6.471 1.00 0.00 O ATOM 506 CB GLU A 32 3.247 -4.592 6.875 1.00 0.00 C ATOM 507 CG GLU A 32 2.751 -4.229 8.251 1.00 0.00 C ATOM 508 CD GLU A 32 3.381 -5.064 9.299 1.00 0.00 C ATOM 509 OE1 GLU A 32 4.394 -4.652 9.880 1.00 0.00 O ATOM 510 OE2 GLU A 32 2.869 -6.166 9.558 1.00 0.00 O ATOM 0 H GLU A 32 3.723 -4.879 4.419 1.00 0.00 H new ATOM 0 HA GLU A 32 1.322 -4.608 5.985 1.00 0.00 H new ATOM 0 HB2 GLU A 32 3.409 -5.669 6.830 1.00 0.00 H new ATOM 0 HB3 GLU A 32 4.214 -4.117 6.710 1.00 0.00 H new ATOM 0 HG2 GLU A 32 2.962 -3.178 8.448 1.00 0.00 H new ATOM 0 HG3 GLU A 32 1.669 -4.350 8.291 1.00 0.00 H new ATOM 517 N GLU A 33 2.632 -1.918 4.761 1.00 0.00 N ATOM 518 CA GLU A 33 2.304 -0.477 4.691 1.00 0.00 C ATOM 519 C GLU A 33 0.899 -0.348 4.137 1.00 0.00 C ATOM 520 O GLU A 33 0.166 0.605 4.422 1.00 0.00 O ATOM 521 CB GLU A 33 3.305 0.333 3.845 1.00 0.00 C ATOM 522 CG GLU A 33 3.244 0.091 2.345 1.00 0.00 C ATOM 523 CD GLU A 33 4.331 0.822 1.615 1.00 0.00 C ATOM 524 OE1 GLU A 33 5.367 0.182 1.254 1.00 0.00 O ATOM 525 OE2 GLU A 33 4.208 2.052 1.405 1.00 0.00 O ATOM 0 H GLU A 33 3.313 -2.253 4.079 1.00 0.00 H new ATOM 0 HA GLU A 33 2.368 -0.057 5.695 1.00 0.00 H new ATOM 0 HB2 GLU A 33 3.136 1.394 4.031 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.313 0.106 4.191 1.00 0.00 H new ATOM 0 HG2 GLU A 33 3.328 -0.977 2.146 1.00 0.00 H new ATOM 0 HG3 GLU A 33 2.274 0.410 1.965 1.00 0.00 H new ATOM 532 N ILE A 34 0.525 -1.365 3.381 1.00 0.00 N ATOM 533 CA ILE A 34 -0.783 -1.496 2.843 1.00 0.00 C ATOM 534 C ILE A 34 -1.764 -1.734 3.971 1.00 0.00 C ATOM 535 O ILE A 34 -2.818 -1.098 4.040 1.00 0.00 O ATOM 536 CB ILE A 34 -0.834 -2.653 1.826 1.00 0.00 C ATOM 537 CG1 ILE A 34 0.053 -2.315 0.630 1.00 0.00 C ATOM 538 CG2 ILE A 34 -2.261 -2.938 1.388 1.00 0.00 C ATOM 539 CD1 ILE A 34 0.168 -3.422 -0.379 1.00 0.00 C ATOM 0 H ILE A 34 1.150 -2.131 3.129 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.053 -0.578 2.321 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.459 -3.559 2.301 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -0.343 -1.427 0.137 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.050 -2.061 0.990 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.264 -3.759 0.671 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.860 -3.212 2.256 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.683 -2.048 0.922 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.814 -3.103 -1.197 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.594 -4.305 0.097 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -0.821 -3.662 -0.770 1.00 0.00 H new ATOM 551 N ALA A 35 -1.376 -2.595 4.917 1.00 0.00 N ATOM 552 CA ALA A 35 -2.174 -2.960 6.056 1.00 0.00 C ATOM 553 C ALA A 35 -2.336 -1.797 7.010 1.00 0.00 C ATOM 554 O ALA A 35 -3.329 -1.706 7.728 1.00 0.00 O ATOM 555 CB ALA A 35 -1.579 -4.166 6.763 1.00 0.00 C ATOM 0 H ALA A 35 -0.469 -3.062 4.896 1.00 0.00 H new ATOM 0 HA ALA A 35 -3.167 -3.231 5.697 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -2.198 -4.426 7.622 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.542 -5.010 6.074 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -0.570 -3.929 7.101 1.00 0.00 H new ATOM 561 N GLU A 36 -1.333 -0.916 7.017 1.00 0.00 N ATOM 562 CA GLU A 36 -1.256 0.214 7.933 1.00 0.00 C ATOM 563 C GLU A 36 -2.441 1.123 7.746 1.00 0.00 C ATOM 564 O GLU A 36 -3.190 1.402 8.692 1.00 0.00 O ATOM 565 CB GLU A 36 0.111 0.942 7.741 1.00 0.00 C ATOM 566 CG GLU A 36 0.453 2.090 8.720 1.00 0.00 C ATOM 567 CD GLU A 36 -0.266 3.399 8.444 1.00 0.00 C ATOM 568 OE1 GLU A 36 -1.316 3.673 9.055 1.00 0.00 O ATOM 569 OE2 GLU A 36 0.222 4.182 7.610 1.00 0.00 O ATOM 0 H GLU A 36 -0.542 -0.972 6.375 1.00 0.00 H new ATOM 0 HA GLU A 36 -1.298 -0.133 8.965 1.00 0.00 H new ATOM 0 HB2 GLU A 36 0.902 0.195 7.809 1.00 0.00 H new ATOM 0 HB3 GLU A 36 0.138 1.344 6.728 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.214 1.767 9.733 1.00 0.00 H new ATOM 0 HG3 GLU A 36 1.528 2.268 8.687 1.00 0.00 H new ATOM 576 N ARG A 37 -2.675 1.506 6.518 1.00 0.00 N ATOM 577 CA ARG A 37 -3.762 2.394 6.185 1.00 0.00 C ATOM 578 C ARG A 37 -5.104 1.670 6.364 1.00 0.00 C ATOM 579 O ARG A 37 -6.131 2.287 6.657 1.00 0.00 O ATOM 580 CB ARG A 37 -3.586 2.857 4.736 1.00 0.00 C ATOM 581 CG ARG A 37 -2.211 3.436 4.436 1.00 0.00 C ATOM 582 CD ARG A 37 -1.968 4.733 5.189 1.00 0.00 C ATOM 583 NE ARG A 37 -0.540 5.088 5.219 1.00 0.00 N ATOM 584 CZ ARG A 37 0.144 5.774 4.278 1.00 0.00 C ATOM 585 NH1 ARG A 37 -0.465 6.217 3.182 1.00 0.00 N ATOM 586 NH2 ARG A 37 1.437 6.029 4.457 1.00 0.00 N ATOM 0 H ARG A 37 -2.116 1.211 5.717 1.00 0.00 H new ATOM 0 HA ARG A 37 -3.756 3.261 6.846 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -3.767 2.013 4.071 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -4.343 3.608 4.511 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -1.444 2.710 4.706 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -2.118 3.615 3.365 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -2.533 5.538 4.719 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -2.340 4.636 6.209 1.00 0.00 H new ATOM 0 HE ARG A 37 -0.011 4.784 6.037 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -1.460 6.040 3.045 1.00 0.00 H new ATOM 0 HH12 ARG A 37 0.063 6.734 2.479 1.00 0.00 H new ATOM 0 HH21 ARG A 37 1.908 5.707 5.302 1.00 0.00 H new ATOM 0 HH22 ARG A 37 1.958 6.547 3.749 1.00 0.00 H new ATOM 600 N MET A 38 -5.065 0.350 6.274 1.00 0.00 N ATOM 601 CA MET A 38 -6.267 -0.459 6.373 1.00 0.00 C ATOM 602 C MET A 38 -6.657 -0.763 7.808 1.00 0.00 C ATOM 603 O MET A 38 -7.733 -1.323 8.041 1.00 0.00 O ATOM 604 CB MET A 38 -6.142 -1.762 5.602 1.00 0.00 C ATOM 605 CG MET A 38 -5.885 -1.592 4.130 1.00 0.00 C ATOM 606 SD MET A 38 -7.171 -0.653 3.304 1.00 0.00 S ATOM 607 CE MET A 38 -6.596 -0.751 1.613 1.00 0.00 C ATOM 0 H MET A 38 -4.208 -0.185 6.132 1.00 0.00 H new ATOM 0 HA MET A 38 -7.056 0.146 5.926 1.00 0.00 H new ATOM 0 HB2 MET A 38 -5.332 -2.349 6.034 1.00 0.00 H new ATOM 0 HB3 MET A 38 -7.058 -2.337 5.734 1.00 0.00 H new ATOM 0 HG2 MET A 38 -4.928 -1.091 3.988 1.00 0.00 H new ATOM 0 HG3 MET A 38 -5.802 -2.574 3.664 1.00 0.00 H new ATOM 0 HE1 MET A 38 -6.876 0.158 1.080 1.00 0.00 H new ATOM 0 HE2 MET A 38 -5.511 -0.858 1.603 1.00 0.00 H new ATOM 0 HE3 MET A 38 -7.050 -1.613 1.124 1.00 0.00 H new ATOM 617 N SER A 39 -5.816 -0.392 8.777 1.00 0.00 N ATOM 618 CA SER A 39 -6.140 -0.595 10.200 1.00 0.00 C ATOM 619 C SER A 39 -7.400 0.185 10.563 1.00 0.00 C ATOM 620 O SER A 39 -8.166 -0.210 11.432 1.00 0.00 O ATOM 621 CB SER A 39 -4.976 -0.145 11.077 1.00 0.00 C ATOM 622 OG SER A 39 -3.791 -0.834 10.729 1.00 0.00 O ATOM 0 H SER A 39 -4.911 0.048 8.609 1.00 0.00 H new ATOM 0 HA SER A 39 -6.317 -1.657 10.372 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.824 0.929 10.965 1.00 0.00 H new ATOM 0 HB3 SER A 39 -5.213 -0.326 12.125 1.00 0.00 H new ATOM 0 HG SER A 39 -3.325 -0.345 10.019 1.00 0.00 H new ATOM 628 N SER A 40 -7.615 1.258 9.826 1.00 0.00 N ATOM 629 CA SER A 40 -8.757 2.117 9.961 1.00 0.00 C ATOM 630 C SER A 40 -10.062 1.341 9.695 1.00 0.00 C ATOM 631 O SER A 40 -11.110 1.666 10.235 1.00 0.00 O ATOM 632 CB SER A 40 -8.597 3.218 8.929 1.00 0.00 C ATOM 633 OG SER A 40 -7.279 3.764 9.000 1.00 0.00 O ATOM 0 H SER A 40 -6.972 1.559 9.094 1.00 0.00 H new ATOM 0 HA SER A 40 -8.815 2.519 10.972 1.00 0.00 H new ATOM 0 HB2 SER A 40 -8.783 2.822 7.931 1.00 0.00 H new ATOM 0 HB3 SER A 40 -9.334 4.002 9.103 1.00 0.00 H new ATOM 0 HG SER A 40 -6.729 3.384 8.284 1.00 0.00 H new ATOM 639 N PHE A 41 -9.980 0.327 8.849 1.00 0.00 N ATOM 640 CA PHE A 41 -11.148 -0.465 8.463 1.00 0.00 C ATOM 641 C PHE A 41 -11.078 -1.866 9.039 1.00 0.00 C ATOM 642 O PHE A 41 -12.015 -2.653 8.883 1.00 0.00 O ATOM 643 CB PHE A 41 -11.176 -0.560 6.957 1.00 0.00 C ATOM 644 CG PHE A 41 -10.960 0.746 6.313 1.00 0.00 C ATOM 645 CD1 PHE A 41 -11.880 1.766 6.436 1.00 0.00 C ATOM 646 CD2 PHE A 41 -9.798 0.970 5.620 1.00 0.00 C ATOM 647 CE1 PHE A 41 -11.634 2.986 5.877 1.00 0.00 C ATOM 648 CE2 PHE A 41 -9.549 2.174 5.055 1.00 0.00 C ATOM 649 CZ PHE A 41 -10.463 3.189 5.184 1.00 0.00 C ATOM 0 H PHE A 41 -9.110 0.027 8.410 1.00 0.00 H new ATOM 0 HA PHE A 41 -12.046 0.019 8.848 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -10.408 -1.259 6.624 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -12.136 -0.966 6.638 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -12.799 1.598 6.977 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -9.073 0.176 5.524 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -12.353 3.786 5.978 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -8.634 2.335 4.504 1.00 0.00 H new ATOM 0 HZ PHE A 41 -10.262 4.152 4.739 1.00 0.00 H new ATOM 659 N GLU A 42 -9.944 -2.166 9.682 1.00 0.00 N ATOM 660 CA GLU A 42 -9.662 -3.476 10.288 1.00 0.00 C ATOM 661 C GLU A 42 -9.686 -4.592 9.236 1.00 0.00 C ATOM 662 O GLU A 42 -10.125 -5.714 9.510 1.00 0.00 O ATOM 663 CB GLU A 42 -10.643 -3.780 11.421 1.00 0.00 C ATOM 664 CG GLU A 42 -10.574 -2.807 12.585 1.00 0.00 C ATOM 665 CD GLU A 42 -11.576 -3.142 13.650 1.00 0.00 C ATOM 666 OE1 GLU A 42 -11.260 -3.968 14.536 1.00 0.00 O ATOM 667 OE2 GLU A 42 -12.718 -2.595 13.611 1.00 0.00 O ATOM 0 H GLU A 42 -9.183 -1.496 9.799 1.00 0.00 H new ATOM 0 HA GLU A 42 -8.658 -3.434 10.710 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -11.656 -3.777 11.019 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -10.451 -4.787 11.792 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -9.571 -2.821 13.012 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -10.752 -1.794 12.224 1.00 0.00 H new ATOM 674 N ILE A 43 -9.155 -4.284 8.057 1.00 0.00 N ATOM 675 CA ILE A 43 -9.125 -5.226 6.935 1.00 0.00 C ATOM 676 C ILE A 43 -8.275 -6.438 7.273 1.00 0.00 C ATOM 677 O ILE A 43 -7.117 -6.315 7.672 1.00 0.00 O ATOM 678 CB ILE A 43 -8.589 -4.551 5.648 1.00 0.00 C ATOM 679 CG1 ILE A 43 -9.437 -3.350 5.285 1.00 0.00 C ATOM 680 CG2 ILE A 43 -8.524 -5.516 4.482 1.00 0.00 C ATOM 681 CD1 ILE A 43 -10.865 -3.696 4.936 1.00 0.00 C ATOM 0 H ILE A 43 -8.734 -3.379 7.849 1.00 0.00 H new ATOM 0 HA ILE A 43 -10.149 -5.551 6.753 1.00 0.00 H new ATOM 0 HB ILE A 43 -7.572 -4.221 5.858 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -9.436 -2.650 6.121 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -8.980 -2.837 4.439 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -8.143 -4.998 3.602 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -7.861 -6.344 4.732 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -9.522 -5.901 4.272 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -11.410 -2.785 4.687 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -10.877 -4.371 4.080 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -11.340 -4.182 5.788 1.00 0.00 H new ATOM 693 N GLU A 44 -8.868 -7.581 7.100 1.00 0.00 N ATOM 694 CA GLU A 44 -8.271 -8.864 7.426 1.00 0.00 C ATOM 695 C GLU A 44 -7.249 -9.249 6.389 1.00 0.00 C ATOM 696 O GLU A 44 -7.287 -8.759 5.254 1.00 0.00 O ATOM 697 CB GLU A 44 -9.357 -9.930 7.473 1.00 0.00 C ATOM 698 CG GLU A 44 -10.525 -9.566 8.362 1.00 0.00 C ATOM 699 CD GLU A 44 -11.575 -10.633 8.394 1.00 0.00 C ATOM 700 OE1 GLU A 44 -12.382 -10.724 7.454 1.00 0.00 O ATOM 701 OE2 GLU A 44 -11.632 -11.393 9.385 1.00 0.00 O ATOM 0 H GLU A 44 -9.810 -7.661 6.717 1.00 0.00 H new ATOM 0 HA GLU A 44 -7.781 -8.784 8.396 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -9.723 -10.109 6.462 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -8.921 -10.865 7.825 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -10.164 -9.385 9.375 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -10.969 -8.634 8.010 1.00 0.00 H new ATOM 708 N SER A 45 -6.373 -10.143 6.767 1.00 0.00 N ATOM 709 CA SER A 45 -5.332 -10.659 5.913 1.00 0.00 C ATOM 710 C SER A 45 -5.920 -11.293 4.631 1.00 0.00 C ATOM 711 O SER A 45 -5.348 -11.167 3.548 1.00 0.00 O ATOM 712 CB SER A 45 -4.536 -11.677 6.711 1.00 0.00 C ATOM 713 OG SER A 45 -3.979 -11.075 7.879 1.00 0.00 O ATOM 0 H SER A 45 -6.363 -10.545 7.705 1.00 0.00 H new ATOM 0 HA SER A 45 -4.682 -9.847 5.588 1.00 0.00 H new ATOM 0 HB2 SER A 45 -5.181 -12.508 6.996 1.00 0.00 H new ATOM 0 HB3 SER A 45 -3.739 -12.089 6.092 1.00 0.00 H new ATOM 0 HG SER A 45 -3.471 -11.745 8.382 1.00 0.00 H new ATOM 719 N ASP A 46 -7.091 -11.911 4.765 1.00 0.00 N ATOM 720 CA ASP A 46 -7.794 -12.533 3.639 1.00 0.00 C ATOM 721 C ASP A 46 -8.180 -11.475 2.637 1.00 0.00 C ATOM 722 O ASP A 46 -7.885 -11.580 1.448 1.00 0.00 O ATOM 723 CB ASP A 46 -9.055 -13.245 4.130 1.00 0.00 C ATOM 724 CG ASP A 46 -8.761 -14.365 5.086 1.00 0.00 C ATOM 725 OD1 ASP A 46 -8.375 -14.097 6.237 1.00 0.00 O ATOM 726 OD2 ASP A 46 -8.924 -15.539 4.719 1.00 0.00 O ATOM 0 H ASP A 46 -7.581 -11.996 5.655 1.00 0.00 H new ATOM 0 HA ASP A 46 -7.131 -13.261 3.171 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -9.708 -12.521 4.617 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -9.600 -13.640 3.273 1.00 0.00 H new ATOM 731 N GLN A 47 -8.790 -10.418 3.149 1.00 0.00 N ATOM 732 CA GLN A 47 -9.238 -9.300 2.338 1.00 0.00 C ATOM 733 C GLN A 47 -8.036 -8.603 1.727 1.00 0.00 C ATOM 734 O GLN A 47 -8.082 -8.110 0.595 1.00 0.00 O ATOM 735 CB GLN A 47 -9.969 -8.298 3.189 1.00 0.00 C ATOM 736 CG GLN A 47 -11.103 -8.843 4.009 1.00 0.00 C ATOM 737 CD GLN A 47 -11.793 -7.736 4.748 1.00 0.00 C ATOM 738 OE1 GLN A 47 -11.428 -7.401 5.875 1.00 0.00 O ATOM 739 NE2 GLN A 47 -12.771 -7.152 4.134 1.00 0.00 N ATOM 0 H GLN A 47 -8.989 -10.312 4.144 1.00 0.00 H new ATOM 0 HA GLN A 47 -9.900 -9.683 1.561 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -9.252 -7.828 3.862 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -10.358 -7.513 2.540 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -11.815 -9.356 3.362 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -10.726 -9.582 4.717 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -13.043 -7.459 3.200 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -13.270 -6.384 4.584 1.00 0.00 H new ATOM 748 N MET A 48 -6.966 -8.533 2.504 1.00 0.00 N ATOM 749 CA MET A 48 -5.724 -7.964 2.044 1.00 0.00 C ATOM 750 C MET A 48 -5.184 -8.701 0.835 1.00 0.00 C ATOM 751 O MET A 48 -4.733 -8.065 -0.100 1.00 0.00 O ATOM 752 CB MET A 48 -4.663 -7.897 3.150 1.00 0.00 C ATOM 753 CG MET A 48 -4.853 -6.798 4.203 1.00 0.00 C ATOM 754 SD MET A 48 -4.301 -5.129 3.685 1.00 0.00 S ATOM 755 CE MET A 48 -5.364 -4.732 2.295 1.00 0.00 C ATOM 0 H MET A 48 -6.941 -8.870 3.467 1.00 0.00 H new ATOM 0 HA MET A 48 -5.952 -6.940 1.748 1.00 0.00 H new ATOM 0 HB2 MET A 48 -4.638 -8.860 3.660 1.00 0.00 H new ATOM 0 HB3 MET A 48 -3.688 -7.759 2.682 1.00 0.00 H new ATOM 0 HG2 MET A 48 -5.909 -6.749 4.469 1.00 0.00 H new ATOM 0 HG3 MET A 48 -4.310 -7.081 5.104 1.00 0.00 H new ATOM 0 HE1 MET A 48 -5.356 -3.655 2.127 1.00 0.00 H new ATOM 0 HE2 MET A 48 -5.001 -5.241 1.402 1.00 0.00 H new ATOM 0 HE3 MET A 48 -6.382 -5.058 2.510 1.00 0.00 H new ATOM 765 N ASP A 49 -5.255 -10.043 0.843 1.00 0.00 N ATOM 766 CA ASP A 49 -4.767 -10.856 -0.300 1.00 0.00 C ATOM 767 C ASP A 49 -5.539 -10.535 -1.546 1.00 0.00 C ATOM 768 O ASP A 49 -4.969 -10.442 -2.635 1.00 0.00 O ATOM 769 CB ASP A 49 -4.844 -12.358 -0.030 1.00 0.00 C ATOM 770 CG ASP A 49 -4.258 -13.189 -1.175 1.00 0.00 C ATOM 771 OD1 ASP A 49 -3.008 -13.392 -1.206 1.00 0.00 O ATOM 772 OD2 ASP A 49 -5.024 -13.674 -2.041 1.00 0.00 O ATOM 0 H ASP A 49 -5.639 -10.588 1.615 1.00 0.00 H new ATOM 0 HA ASP A 49 -3.717 -10.596 -0.436 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -4.309 -12.586 0.892 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -5.884 -12.643 0.127 1.00 0.00 H new ATOM 777 N GLU A 50 -6.827 -10.325 -1.374 1.00 0.00 N ATOM 778 CA GLU A 50 -7.696 -9.943 -2.465 1.00 0.00 C ATOM 779 C GLU A 50 -7.217 -8.603 -3.064 1.00 0.00 C ATOM 780 O GLU A 50 -7.196 -8.413 -4.285 1.00 0.00 O ATOM 781 CB GLU A 50 -9.146 -9.854 -1.969 1.00 0.00 C ATOM 782 CG GLU A 50 -10.166 -9.478 -3.027 1.00 0.00 C ATOM 783 CD GLU A 50 -10.212 -10.452 -4.177 1.00 0.00 C ATOM 784 OE1 GLU A 50 -10.800 -11.545 -4.031 1.00 0.00 O ATOM 785 OE2 GLU A 50 -9.710 -10.126 -5.267 1.00 0.00 O ATOM 0 H GLU A 50 -7.300 -10.414 -0.475 1.00 0.00 H new ATOM 0 HA GLU A 50 -7.658 -10.697 -3.251 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -9.427 -10.816 -1.541 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -9.194 -9.121 -1.164 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -11.153 -9.421 -2.568 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -9.934 -8.484 -3.410 1.00 0.00 H new ATOM 792 N TYR A 51 -6.802 -7.689 -2.198 1.00 0.00 N ATOM 793 CA TYR A 51 -6.250 -6.427 -2.647 1.00 0.00 C ATOM 794 C TYR A 51 -4.864 -6.643 -3.272 1.00 0.00 C ATOM 795 O TYR A 51 -4.513 -5.975 -4.240 1.00 0.00 O ATOM 796 CB TYR A 51 -6.226 -5.404 -1.528 1.00 0.00 C ATOM 797 CG TYR A 51 -5.701 -4.051 -1.951 1.00 0.00 C ATOM 798 CD1 TYR A 51 -6.170 -3.411 -3.105 1.00 0.00 C ATOM 799 CD2 TYR A 51 -4.737 -3.409 -1.196 1.00 0.00 C ATOM 800 CE1 TYR A 51 -5.671 -2.189 -3.474 1.00 0.00 C ATOM 801 CE2 TYR A 51 -4.245 -2.182 -1.568 1.00 0.00 C ATOM 802 CZ TYR A 51 -4.715 -1.584 -2.705 1.00 0.00 C ATOM 803 OH TYR A 51 -4.209 -0.388 -3.084 1.00 0.00 O ATOM 0 H TYR A 51 -6.838 -7.801 -1.185 1.00 0.00 H new ATOM 0 HA TYR A 51 -6.900 -6.020 -3.422 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -7.236 -5.285 -1.135 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -5.610 -5.784 -0.713 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -6.931 -3.884 -3.709 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -4.365 -3.880 -0.299 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -6.032 -1.705 -4.370 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -3.493 -1.693 -0.967 1.00 0.00 H new ATOM 0 HH TYR A 51 -4.890 0.307 -2.966 1.00 0.00 H new ATOM 813 N TYR A 52 -4.076 -7.558 -2.729 1.00 0.00 N ATOM 814 CA TYR A 52 -2.724 -7.828 -3.239 1.00 0.00 C ATOM 815 C TYR A 52 -2.781 -8.334 -4.662 1.00 0.00 C ATOM 816 O TYR A 52 -2.021 -7.902 -5.532 1.00 0.00 O ATOM 817 CB TYR A 52 -1.935 -8.815 -2.346 1.00 0.00 C ATOM 818 CG TYR A 52 -1.695 -8.327 -0.929 1.00 0.00 C ATOM 819 CD1 TYR A 52 -1.740 -9.202 0.146 1.00 0.00 C ATOM 820 CD2 TYR A 52 -1.453 -6.991 -0.665 1.00 0.00 C ATOM 821 CE1 TYR A 52 -1.548 -8.760 1.435 1.00 0.00 C ATOM 822 CE2 TYR A 52 -1.255 -6.544 0.616 1.00 0.00 C ATOM 823 CZ TYR A 52 -1.307 -7.429 1.667 1.00 0.00 C ATOM 824 OH TYR A 52 -1.115 -6.982 2.958 1.00 0.00 O ATOM 0 H TYR A 52 -4.344 -8.133 -1.931 1.00 0.00 H new ATOM 0 HA TYR A 52 -2.186 -6.880 -3.218 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -2.476 -9.760 -2.305 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -0.972 -9.019 -2.815 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -1.929 -10.250 -0.032 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -1.419 -6.287 -1.483 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -1.587 -9.457 2.259 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -1.058 -5.498 0.799 1.00 0.00 H new ATOM 0 HH TYR A 52 -0.479 -6.236 2.955 1.00 0.00 H new ATOM 834 N GLU A 53 -3.733 -9.221 -4.895 1.00 0.00 N ATOM 835 CA GLU A 53 -3.984 -9.806 -6.190 1.00 0.00 C ATOM 836 C GLU A 53 -4.408 -8.710 -7.173 1.00 0.00 C ATOM 837 O GLU A 53 -3.984 -8.701 -8.334 1.00 0.00 O ATOM 838 CB GLU A 53 -5.085 -10.849 -6.028 1.00 0.00 C ATOM 839 CG GLU A 53 -5.330 -11.730 -7.225 1.00 0.00 C ATOM 840 CD GLU A 53 -6.400 -12.752 -6.942 1.00 0.00 C ATOM 841 OE1 GLU A 53 -7.526 -12.612 -7.451 1.00 0.00 O ATOM 842 OE2 GLU A 53 -6.130 -13.723 -6.182 1.00 0.00 O ATOM 0 H GLU A 53 -4.365 -9.559 -4.169 1.00 0.00 H new ATOM 0 HA GLU A 53 -3.086 -10.282 -6.584 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -4.837 -11.484 -5.177 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -6.014 -10.335 -5.782 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -5.626 -11.117 -8.076 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -4.405 -12.236 -7.502 1.00 0.00 H new ATOM 849 N PHE A 54 -5.202 -7.775 -6.679 1.00 0.00 N ATOM 850 CA PHE A 54 -5.626 -6.626 -7.443 1.00 0.00 C ATOM 851 C PHE A 54 -4.409 -5.801 -7.863 1.00 0.00 C ATOM 852 O PHE A 54 -4.235 -5.478 -9.042 1.00 0.00 O ATOM 853 CB PHE A 54 -6.601 -5.780 -6.603 1.00 0.00 C ATOM 854 CG PHE A 54 -6.843 -4.403 -7.134 1.00 0.00 C ATOM 855 CD1 PHE A 54 -6.104 -3.345 -6.647 1.00 0.00 C ATOM 856 CD2 PHE A 54 -7.783 -4.166 -8.114 1.00 0.00 C ATOM 857 CE1 PHE A 54 -6.284 -2.082 -7.121 1.00 0.00 C ATOM 858 CE2 PHE A 54 -7.976 -2.891 -8.593 1.00 0.00 C ATOM 859 CZ PHE A 54 -7.216 -1.850 -8.089 1.00 0.00 C ATOM 0 H PHE A 54 -5.571 -7.797 -5.728 1.00 0.00 H new ATOM 0 HA PHE A 54 -6.141 -6.956 -8.345 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -7.555 -6.304 -6.539 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -6.212 -5.701 -5.588 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -5.369 -3.522 -5.876 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -8.369 -4.983 -8.507 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -5.691 -1.267 -6.732 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -8.716 -2.704 -9.357 1.00 0.00 H new ATOM 0 HZ PHE A 54 -7.362 -0.848 -8.465 1.00 0.00 H new ATOM 869 N LEU A 55 -3.573 -5.475 -6.887 1.00 0.00 N ATOM 870 CA LEU A 55 -2.368 -4.693 -7.104 1.00 0.00 C ATOM 871 C LEU A 55 -1.437 -5.343 -8.115 1.00 0.00 C ATOM 872 O LEU A 55 -0.837 -4.662 -8.952 1.00 0.00 O ATOM 873 CB LEU A 55 -1.655 -4.429 -5.794 1.00 0.00 C ATOM 874 CG LEU A 55 -2.378 -3.509 -4.827 1.00 0.00 C ATOM 875 CD1 LEU A 55 -1.659 -3.492 -3.502 1.00 0.00 C ATOM 876 CD2 LEU A 55 -2.449 -2.094 -5.396 1.00 0.00 C ATOM 0 H LEU A 55 -3.715 -5.749 -5.915 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.675 -3.736 -7.526 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.480 -5.383 -5.297 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.677 -4.000 -6.013 1.00 0.00 H new ATOM 0 HG LEU A 55 -3.392 -3.880 -4.681 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -2.183 -2.830 -2.812 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -1.634 -4.500 -3.089 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.640 -3.133 -3.646 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -2.970 -1.445 -4.692 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -1.440 -1.716 -5.559 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -2.988 -2.109 -6.343 1.00 0.00 H new ATOM 888 N GLY A 56 -1.338 -6.663 -8.021 1.00 0.00 N ATOM 889 CA GLY A 56 -0.538 -7.438 -8.958 1.00 0.00 C ATOM 890 C GLY A 56 -1.032 -7.274 -10.376 1.00 0.00 C ATOM 891 O GLY A 56 -0.234 -7.118 -11.303 1.00 0.00 O ATOM 0 H GLY A 56 -1.803 -7.219 -7.304 1.00 0.00 H new ATOM 0 HA2 GLY A 56 0.504 -7.123 -8.896 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -0.570 -8.492 -8.680 1.00 0.00 H new ATOM 895 N GLU A 57 -2.345 -7.280 -10.547 1.00 0.00 N ATOM 896 CA GLU A 57 -2.948 -7.099 -11.834 1.00 0.00 C ATOM 897 C GLU A 57 -2.686 -5.708 -12.409 1.00 0.00 C ATOM 898 O GLU A 57 -2.609 -5.537 -13.632 1.00 0.00 O ATOM 899 CB GLU A 57 -4.434 -7.379 -11.768 1.00 0.00 C ATOM 900 CG GLU A 57 -4.778 -8.825 -11.466 1.00 0.00 C ATOM 901 CD GLU A 57 -4.084 -9.780 -12.402 1.00 0.00 C ATOM 902 OE1 GLU A 57 -3.112 -10.431 -11.982 1.00 0.00 O ATOM 903 OE2 GLU A 57 -4.484 -9.878 -13.580 1.00 0.00 O ATOM 0 H GLU A 57 -3.013 -7.412 -9.788 1.00 0.00 H new ATOM 0 HA GLU A 57 -2.482 -7.816 -12.510 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -4.879 -6.743 -11.003 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -4.888 -7.099 -12.719 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -4.497 -9.057 -10.439 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -5.857 -8.964 -11.541 1.00 0.00 H new ATOM 910 N GLN A 58 -2.562 -4.712 -11.524 1.00 0.00 N ATOM 911 CA GLN A 58 -2.281 -3.336 -11.925 1.00 0.00 C ATOM 912 C GLN A 58 -0.793 -3.208 -12.247 1.00 0.00 C ATOM 913 O GLN A 58 -0.420 -2.624 -13.259 1.00 0.00 O ATOM 914 CB GLN A 58 -2.651 -2.369 -10.781 1.00 0.00 C ATOM 915 CG GLN A 58 -4.086 -2.514 -10.296 1.00 0.00 C ATOM 916 CD GLN A 58 -5.101 -2.150 -11.354 1.00 0.00 C ATOM 917 OE1 GLN A 58 -4.860 -1.282 -12.189 1.00 0.00 O ATOM 918 NE2 GLN A 58 -6.207 -2.825 -11.359 1.00 0.00 N ATOM 0 H GLN A 58 -2.654 -4.840 -10.516 1.00 0.00 H new ATOM 0 HA GLN A 58 -2.873 -3.083 -12.805 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -1.975 -2.537 -9.943 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -2.493 -1.345 -11.118 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -4.254 -3.542 -9.976 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -4.235 -1.880 -9.422 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -6.372 -3.539 -10.649 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -6.912 -2.643 -12.073 1.00 0.00 H new ATOM 927 N GLY A 59 0.038 -3.710 -11.371 1.00 0.00 N ATOM 928 CA GLY A 59 1.467 -3.730 -11.623 1.00 0.00 C ATOM 929 C GLY A 59 2.273 -3.351 -10.403 1.00 0.00 C ATOM 930 O GLY A 59 3.114 -2.463 -10.458 1.00 0.00 O ATOM 0 H GLY A 59 -0.243 -4.111 -10.476 1.00 0.00 H new ATOM 0 HA2 GLY A 59 1.761 -4.726 -11.954 1.00 0.00 H new ATOM 0 HA3 GLY A 59 1.699 -3.043 -12.436 1.00 0.00 H new ATOM 934 N VAL A 60 2.005 -4.001 -9.292 1.00 0.00 N ATOM 935 CA VAL A 60 2.713 -3.725 -8.055 1.00 0.00 C ATOM 936 C VAL A 60 3.132 -5.031 -7.429 1.00 0.00 C ATOM 937 O VAL A 60 2.311 -5.936 -7.273 1.00 0.00 O ATOM 938 CB VAL A 60 1.805 -2.997 -7.020 1.00 0.00 C ATOM 939 CG1 VAL A 60 2.611 -2.587 -5.798 1.00 0.00 C ATOM 940 CG2 VAL A 60 1.074 -1.803 -7.629 1.00 0.00 C ATOM 0 H VAL A 60 1.296 -4.731 -9.217 1.00 0.00 H new ATOM 0 HA VAL A 60 3.566 -3.092 -8.300 1.00 0.00 H new ATOM 0 HB VAL A 60 1.037 -3.704 -6.706 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.960 -2.080 -5.086 1.00 0.00 H new ATOM 0 HG12 VAL A 60 3.039 -3.474 -5.330 1.00 0.00 H new ATOM 0 HG13 VAL A 60 3.413 -1.913 -6.100 1.00 0.00 H new ATOM 0 HG21 VAL A 60 0.454 -1.329 -6.868 1.00 0.00 H new ATOM 0 HG22 VAL A 60 1.802 -1.083 -8.004 1.00 0.00 H new ATOM 0 HG23 VAL A 60 0.443 -2.143 -8.451 1.00 0.00 H new ATOM 950 N GLU A 61 4.389 -5.143 -7.105 1.00 0.00 N ATOM 951 CA GLU A 61 4.870 -6.274 -6.359 1.00 0.00 C ATOM 952 C GLU A 61 4.771 -5.939 -4.902 1.00 0.00 C ATOM 953 O GLU A 61 5.012 -4.802 -4.511 1.00 0.00 O ATOM 954 CB GLU A 61 6.310 -6.575 -6.701 1.00 0.00 C ATOM 955 CG GLU A 61 6.516 -7.080 -8.099 1.00 0.00 C ATOM 956 CD GLU A 61 7.973 -7.289 -8.399 1.00 0.00 C ATOM 957 OE1 GLU A 61 8.602 -8.218 -7.833 1.00 0.00 O ATOM 958 OE2 GLU A 61 8.545 -6.506 -9.170 1.00 0.00 O ATOM 0 H GLU A 61 5.106 -4.459 -7.348 1.00 0.00 H new ATOM 0 HA GLU A 61 4.272 -7.151 -6.605 1.00 0.00 H new ATOM 0 HB2 GLU A 61 6.902 -5.670 -6.562 1.00 0.00 H new ATOM 0 HB3 GLU A 61 6.692 -7.316 -5.999 1.00 0.00 H new ATOM 0 HG2 GLU A 61 5.978 -8.019 -8.231 1.00 0.00 H new ATOM 0 HG3 GLU A 61 6.095 -6.369 -8.810 1.00 0.00 H new ATOM 965 N LEU A 62 4.381 -6.865 -4.103 1.00 0.00 N ATOM 966 CA LEU A 62 4.287 -6.603 -2.721 1.00 0.00 C ATOM 967 C LEU A 62 5.466 -7.207 -1.977 1.00 0.00 C ATOM 968 O LEU A 62 5.663 -8.421 -1.989 1.00 0.00 O ATOM 969 CB LEU A 62 2.967 -7.117 -2.150 1.00 0.00 C ATOM 970 CG LEU A 62 1.664 -6.623 -2.804 1.00 0.00 C ATOM 971 CD1 LEU A 62 1.672 -5.136 -3.066 1.00 0.00 C ATOM 972 CD2 LEU A 62 1.273 -7.417 -4.038 1.00 0.00 C ATOM 0 H LEU A 62 4.123 -7.810 -4.386 1.00 0.00 H new ATOM 0 HA LEU A 62 4.312 -5.522 -2.584 1.00 0.00 H new ATOM 0 HB2 LEU A 62 2.979 -8.206 -2.206 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.933 -6.852 -1.093 1.00 0.00 H new ATOM 0 HG LEU A 62 0.883 -6.808 -2.066 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.729 -4.843 -3.528 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.797 -4.601 -2.124 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.496 -4.889 -3.735 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.346 -7.017 -4.449 1.00 0.00 H new ATOM 0 HD22 LEU A 62 2.064 -7.342 -4.785 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.128 -8.463 -3.767 1.00 0.00 H new ATOM 984 N ILE A 63 6.265 -6.363 -1.367 1.00 0.00 N ATOM 985 CA ILE A 63 7.363 -6.827 -0.551 1.00 0.00 C ATOM 986 C ILE A 63 6.944 -7.061 0.852 1.00 0.00 C ATOM 987 O ILE A 63 5.929 -6.573 1.315 1.00 0.00 O ATOM 988 CB ILE A 63 8.608 -5.932 -0.537 1.00 0.00 C ATOM 989 CG1 ILE A 63 8.247 -4.461 -0.451 1.00 0.00 C ATOM 990 CG2 ILE A 63 9.483 -6.221 -1.705 1.00 0.00 C ATOM 991 CD1 ILE A 63 9.431 -3.517 -0.421 1.00 0.00 C ATOM 0 H ILE A 63 6.175 -5.348 -1.421 1.00 0.00 H new ATOM 0 HA ILE A 63 7.651 -7.759 -1.038 1.00 0.00 H new ATOM 0 HB ILE A 63 9.173 -6.166 0.365 1.00 0.00 H new ATOM 0 HG12 ILE A 63 7.618 -4.205 -1.304 1.00 0.00 H new ATOM 0 HG13 ILE A 63 7.649 -4.300 0.446 1.00 0.00 H new ATOM 0 HG21 ILE A 63 10.359 -5.573 -1.672 1.00 0.00 H new ATOM 0 HG22 ILE A 63 9.801 -7.263 -1.673 1.00 0.00 H new ATOM 0 HG23 ILE A 63 8.931 -6.038 -2.627 1.00 0.00 H new ATOM 0 HD11 ILE A 63 9.075 -2.489 -0.359 1.00 0.00 H new ATOM 0 HD12 ILE A 63 10.052 -3.739 0.447 1.00 0.00 H new ATOM 0 HD13 ILE A 63 10.020 -3.643 -1.330 1.00 0.00 H new ATOM 1003 N SER A 64 7.771 -7.728 1.522 1.00 0.00 N ATOM 1004 CA SER A 64 7.532 -8.197 2.832 1.00 0.00 C ATOM 1005 C SER A 64 7.859 -7.237 3.976 1.00 0.00 C ATOM 1006 O SER A 64 7.712 -7.621 5.129 1.00 0.00 O ATOM 1007 CB SER A 64 8.281 -9.464 2.967 1.00 0.00 C ATOM 1008 OG SER A 64 7.542 -10.577 2.495 1.00 0.00 O ATOM 0 H SER A 64 8.691 -7.984 1.164 1.00 0.00 H new ATOM 0 HA SER A 64 6.454 -8.322 2.939 1.00 0.00 H new ATOM 0 HB2 SER A 64 9.217 -9.391 2.414 1.00 0.00 H new ATOM 0 HB3 SER A 64 8.541 -9.620 4.014 1.00 0.00 H new ATOM 0 HG SER A 64 8.075 -11.392 2.601 1.00 0.00 H new ATOM 1014 N GLU A 65 8.330 -6.019 3.671 1.00 0.00 N ATOM 1015 CA GLU A 65 8.651 -4.961 4.696 1.00 0.00 C ATOM 1016 C GLU A 65 9.958 -5.301 5.413 1.00 0.00 C ATOM 1017 O GLU A 65 10.829 -4.453 5.564 1.00 0.00 O ATOM 1018 CB GLU A 65 7.446 -4.722 5.670 1.00 0.00 C ATOM 1019 CG GLU A 65 7.435 -3.388 6.443 1.00 0.00 C ATOM 1020 CD GLU A 65 8.409 -3.302 7.593 1.00 0.00 C ATOM 1021 OE1 GLU A 65 8.078 -3.787 8.693 1.00 0.00 O ATOM 1022 OE2 GLU A 65 9.488 -2.705 7.445 1.00 0.00 O ATOM 0 H GLU A 65 8.506 -5.719 2.712 1.00 0.00 H new ATOM 0 HA GLU A 65 8.807 -4.009 4.190 1.00 0.00 H new ATOM 0 HB2 GLU A 65 6.524 -4.789 5.093 1.00 0.00 H new ATOM 0 HB3 GLU A 65 7.428 -5.536 6.395 1.00 0.00 H new ATOM 0 HG2 GLU A 65 7.651 -2.580 5.744 1.00 0.00 H new ATOM 0 HG3 GLU A 65 6.429 -3.217 6.827 1.00 0.00 H new ATOM 1029 N ASN A 66 10.097 -6.569 5.802 1.00 0.00 N ATOM 1030 CA ASN A 66 11.334 -7.119 6.357 1.00 0.00 C ATOM 1031 C ASN A 66 12.426 -6.872 5.363 1.00 0.00 C ATOM 1032 O ASN A 66 13.558 -6.522 5.702 1.00 0.00 O ATOM 1033 CB ASN A 66 11.190 -8.621 6.600 1.00 0.00 C ATOM 1034 CG ASN A 66 12.301 -9.181 7.457 1.00 0.00 C ATOM 1035 OD1 ASN A 66 13.365 -9.575 6.967 1.00 0.00 O ATOM 1036 ND2 ASN A 66 12.055 -9.245 8.733 1.00 0.00 N ATOM 0 H ASN A 66 9.342 -7.253 5.739 1.00 0.00 H new ATOM 0 HA ASN A 66 11.561 -6.642 7.311 1.00 0.00 H new ATOM 0 HB2 ASN A 66 10.232 -8.817 7.081 1.00 0.00 H new ATOM 0 HB3 ASN A 66 11.178 -9.141 5.642 1.00 0.00 H new ATOM 0 HD21 ASN A 66 12.753 -9.631 9.368 1.00 0.00 H new ATOM 0 HD22 ASN A 66 11.164 -8.909 9.098 1.00 0.00 H new ATOM 1043 N GLU A 67 12.044 -7.029 4.145 1.00 0.00 N ATOM 1044 CA GLU A 67 12.847 -6.708 3.035 1.00 0.00 C ATOM 1045 C GLU A 67 12.276 -5.457 2.413 1.00 0.00 C ATOM 1046 O GLU A 67 11.037 -5.263 2.371 1.00 0.00 O ATOM 1047 CB GLU A 67 12.843 -7.829 2.022 1.00 0.00 C ATOM 1048 CG GLU A 67 11.501 -8.037 1.356 1.00 0.00 C ATOM 1049 CD GLU A 67 11.499 -9.134 0.339 1.00 0.00 C ATOM 1050 OE1 GLU A 67 11.646 -8.850 -0.855 1.00 0.00 O ATOM 1051 OE2 GLU A 67 11.331 -10.305 0.721 1.00 0.00 O ATOM 0 H GLU A 67 11.128 -7.399 3.893 1.00 0.00 H new ATOM 0 HA GLU A 67 13.878 -6.555 3.353 1.00 0.00 H new ATOM 0 HB2 GLU A 67 13.590 -7.619 1.257 1.00 0.00 H new ATOM 0 HB3 GLU A 67 13.142 -8.754 2.515 1.00 0.00 H new ATOM 0 HG2 GLU A 67 10.757 -8.260 2.120 1.00 0.00 H new ATOM 0 HG3 GLU A 67 11.196 -7.107 0.876 1.00 0.00 H new ATOM 1058 N GLU A 68 13.137 -4.647 1.952 1.00 0.00 N ATOM 1059 CA GLU A 68 12.801 -3.402 1.325 1.00 0.00 C ATOM 1060 C GLU A 68 14.040 -2.905 0.674 1.00 0.00 C ATOM 1061 O GLU A 68 15.086 -2.770 1.314 1.00 0.00 O ATOM 1062 CB GLU A 68 12.218 -2.397 2.348 1.00 0.00 C ATOM 1063 CG GLU A 68 11.711 -1.049 1.797 1.00 0.00 C ATOM 1064 CD GLU A 68 12.804 -0.030 1.559 1.00 0.00 C ATOM 1065 OE1 GLU A 68 13.148 0.712 2.509 1.00 0.00 O ATOM 1066 OE2 GLU A 68 13.336 0.047 0.442 1.00 0.00 O ATOM 0 H GLU A 68 14.141 -4.823 1.993 1.00 0.00 H new ATOM 0 HA GLU A 68 12.018 -3.533 0.578 1.00 0.00 H new ATOM 0 HB2 GLU A 68 11.391 -2.883 2.866 1.00 0.00 H new ATOM 0 HB3 GLU A 68 12.985 -2.190 3.094 1.00 0.00 H new ATOM 0 HG2 GLU A 68 11.184 -1.227 0.860 1.00 0.00 H new ATOM 0 HG3 GLU A 68 10.986 -0.632 2.496 1.00 0.00 H new ATOM 1073 N THR A 69 13.939 -2.715 -0.582 1.00 0.00 N ATOM 1074 CA THR A 69 15.035 -2.280 -1.402 1.00 0.00 C ATOM 1075 C THR A 69 14.541 -1.334 -2.483 1.00 0.00 C ATOM 1076 O THR A 69 15.125 -1.248 -3.560 1.00 0.00 O ATOM 1077 CB THR A 69 15.765 -3.496 -2.039 1.00 0.00 C ATOM 1078 OG1 THR A 69 14.801 -4.466 -2.495 1.00 0.00 O ATOM 1079 CG2 THR A 69 16.720 -4.157 -1.061 1.00 0.00 C ATOM 0 H THR A 69 13.072 -2.858 -1.100 1.00 0.00 H new ATOM 0 HA THR A 69 15.746 -1.749 -0.769 1.00 0.00 H new ATOM 0 HB THR A 69 16.347 -3.123 -2.882 1.00 0.00 H new ATOM 0 HG1 THR A 69 15.268 -5.228 -2.896 1.00 0.00 H new ATOM 0 HG21 THR A 69 17.210 -5.002 -1.545 1.00 0.00 H new ATOM 0 HG22 THR A 69 17.472 -3.435 -0.743 1.00 0.00 H new ATOM 0 HG23 THR A 69 16.165 -4.509 -0.192 1.00 0.00 H new ATOM 1087 N GLU A 70 13.505 -0.582 -2.173 1.00 0.00 N ATOM 1088 CA GLU A 70 12.972 0.367 -3.123 1.00 0.00 C ATOM 1089 C GLU A 70 13.800 1.632 -3.031 1.00 0.00 C ATOM 1090 O GLU A 70 13.849 2.463 -3.961 1.00 0.00 O ATOM 1091 CB GLU A 70 11.483 0.664 -2.881 1.00 0.00 C ATOM 1092 CG GLU A 70 11.152 1.218 -1.508 1.00 0.00 C ATOM 1093 CD GLU A 70 9.747 1.766 -1.432 1.00 0.00 C ATOM 1094 OE1 GLU A 70 8.823 1.063 -0.968 1.00 0.00 O ATOM 1095 OE2 GLU A 70 9.549 2.938 -1.848 1.00 0.00 O ATOM 0 H GLU A 70 13.019 -0.610 -1.276 1.00 0.00 H new ATOM 0 HA GLU A 70 13.032 -0.058 -4.125 1.00 0.00 H new ATOM 0 HB2 GLU A 70 11.143 1.375 -3.634 1.00 0.00 H new ATOM 0 HB3 GLU A 70 10.916 -0.255 -3.031 1.00 0.00 H new ATOM 0 HG2 GLU A 70 11.273 0.432 -0.763 1.00 0.00 H new ATOM 0 HG3 GLU A 70 11.861 2.007 -1.257 1.00 0.00 H new ATOM 1102 N ASP A 71 14.443 1.768 -1.897 1.00 0.00 N ATOM 1103 CA ASP A 71 15.332 2.847 -1.619 1.00 0.00 C ATOM 1104 C ASP A 71 16.505 2.357 -0.821 1.00 0.00 C ATOM 1105 O ASP A 71 16.335 1.773 0.229 1.00 0.00 O ATOM 1106 CB ASP A 71 14.626 3.940 -0.836 1.00 0.00 C ATOM 1107 CG ASP A 71 15.599 4.941 -0.287 1.00 0.00 C ATOM 1108 OD1 ASP A 71 15.531 5.255 0.922 1.00 0.00 O ATOM 1109 OD2 ASP A 71 16.478 5.393 -1.028 1.00 0.00 O ATOM 0 H ASP A 71 14.353 1.107 -1.126 1.00 0.00 H new ATOM 0 HA ASP A 71 15.675 3.253 -2.571 1.00 0.00 H new ATOM 0 HB2 ASP A 71 13.908 4.446 -1.482 1.00 0.00 H new ATOM 0 HB3 ASP A 71 14.060 3.495 -0.018 1.00 0.00 H new ATOM 1114 N LEU A 72 17.675 2.560 -1.334 1.00 0.00 N ATOM 1115 CA LEU A 72 18.885 2.255 -0.605 1.00 0.00 C ATOM 1116 C LEU A 72 19.741 3.510 -0.525 1.00 0.00 C ATOM 1117 O LEU A 72 20.874 3.475 -0.059 1.00 0.00 O ATOM 1118 CB LEU A 72 19.668 1.105 -1.279 1.00 0.00 C ATOM 1119 CG LEU A 72 18.961 -0.259 -1.342 1.00 0.00 C ATOM 1120 CD1 LEU A 72 19.830 -1.278 -2.062 1.00 0.00 C ATOM 1121 CD2 LEU A 72 18.619 -0.756 0.058 1.00 0.00 C ATOM 0 H LEU A 72 17.830 2.941 -2.268 1.00 0.00 H new ATOM 0 HA LEU A 72 18.622 1.924 0.400 1.00 0.00 H new ATOM 0 HB2 LEU A 72 19.914 1.410 -2.296 1.00 0.00 H new ATOM 0 HB3 LEU A 72 20.611 0.977 -0.748 1.00 0.00 H new ATOM 0 HG LEU A 72 18.033 -0.134 -1.900 1.00 0.00 H new ATOM 0 HD11 LEU A 72 19.313 -2.237 -2.097 1.00 0.00 H new ATOM 0 HD12 LEU A 72 20.027 -0.935 -3.078 1.00 0.00 H new ATOM 0 HD13 LEU A 72 20.773 -1.393 -1.528 1.00 0.00 H new ATOM 0 HD21 LEU A 72 18.120 -1.722 -0.011 1.00 0.00 H new ATOM 0 HD22 LEU A 72 19.534 -0.861 0.640 1.00 0.00 H new ATOM 0 HD23 LEU A 72 17.958 -0.040 0.547 1.00 0.00 H new ATOM 1133 N GLU A 73 19.159 4.634 -0.927 1.00 0.00 N ATOM 1134 CA GLU A 73 19.882 5.896 -1.010 1.00 0.00 C ATOM 1135 C GLU A 73 19.519 6.774 0.182 1.00 0.00 C ATOM 1136 O GLU A 73 20.174 7.788 0.432 1.00 0.00 O ATOM 1137 CB GLU A 73 19.456 6.663 -2.275 1.00 0.00 C ATOM 1138 CG GLU A 73 19.399 5.850 -3.562 1.00 0.00 C ATOM 1139 CD GLU A 73 20.725 5.296 -4.006 1.00 0.00 C ATOM 1140 OE1 GLU A 73 21.473 6.011 -4.715 1.00 0.00 O ATOM 1141 OE2 GLU A 73 21.034 4.129 -3.694 1.00 0.00 O ATOM 0 H GLU A 73 18.179 4.696 -1.203 1.00 0.00 H new ATOM 0 HA GLU A 73 20.950 5.676 -1.028 1.00 0.00 H new ATOM 0 HB2 GLU A 73 18.472 7.096 -2.099 1.00 0.00 H new ATOM 0 HB3 GLU A 73 20.148 7.492 -2.423 1.00 0.00 H new ATOM 0 HG2 GLU A 73 18.701 5.024 -3.425 1.00 0.00 H new ATOM 0 HG3 GLU A 73 18.997 6.478 -4.357 1.00 0.00 H new ATOM 1148 N HIS A 74 18.471 6.371 0.897 1.00 0.00 N ATOM 1149 CA HIS A 74 17.845 7.164 1.958 1.00 0.00 C ATOM 1150 C HIS A 74 17.159 8.329 1.294 1.00 0.00 C ATOM 1151 O HIS A 74 17.597 9.488 1.375 1.00 0.00 O ATOM 1152 CB HIS A 74 18.802 7.634 3.081 1.00 0.00 C ATOM 1153 CG HIS A 74 19.397 6.536 3.905 1.00 0.00 C ATOM 1154 ND1 HIS A 74 18.880 6.114 5.105 1.00 0.00 N ATOM 1155 CD2 HIS A 74 20.509 5.797 3.701 1.00 0.00 C ATOM 1156 CE1 HIS A 74 19.665 5.165 5.589 1.00 0.00 C ATOM 1157 NE2 HIS A 74 20.679 4.928 4.775 1.00 0.00 N ATOM 0 H HIS A 74 18.023 5.466 0.754 1.00 0.00 H new ATOM 0 HA HIS A 74 17.139 6.522 2.485 1.00 0.00 H new ATOM 0 HB2 HIS A 74 19.611 8.210 2.631 1.00 0.00 H new ATOM 0 HB3 HIS A 74 18.259 8.310 3.741 1.00 0.00 H new ATOM 0 HD2 HIS A 74 21.161 5.869 2.843 1.00 0.00 H new ATOM 0 HE1 HIS A 74 19.499 4.652 6.525 1.00 0.00 H new ATOM 0 HE2 HIS A 74 21.429 4.250 4.906 1.00 0.00 H new ATOM 1165 N HIS A 75 16.152 7.982 0.550 1.00 0.00 N ATOM 1166 CA HIS A 75 15.417 8.890 -0.289 1.00 0.00 C ATOM 1167 C HIS A 75 14.462 9.769 0.509 1.00 0.00 C ATOM 1168 O HIS A 75 13.722 9.295 1.388 1.00 0.00 O ATOM 1169 CB HIS A 75 14.652 8.084 -1.361 1.00 0.00 C ATOM 1170 CG HIS A 75 13.865 8.896 -2.338 1.00 0.00 C ATOM 1171 ND1 HIS A 75 12.538 9.197 -2.184 1.00 0.00 N ATOM 1172 CD2 HIS A 75 14.242 9.470 -3.499 1.00 0.00 C ATOM 1173 CE1 HIS A 75 12.151 9.922 -3.216 1.00 0.00 C ATOM 1174 NE2 HIS A 75 13.150 10.124 -4.058 1.00 0.00 N ATOM 0 H HIS A 75 15.804 7.024 0.507 1.00 0.00 H new ATOM 0 HA HIS A 75 16.129 9.561 -0.770 1.00 0.00 H new ATOM 0 HB2 HIS A 75 15.369 7.477 -1.914 1.00 0.00 H new ATOM 0 HB3 HIS A 75 13.973 7.396 -0.857 1.00 0.00 H new ATOM 0 HD2 HIS A 75 15.233 9.428 -3.926 1.00 0.00 H new ATOM 0 HE1 HIS A 75 11.149 10.301 -3.355 1.00 0.00 H new ATOM 0 HE2 HIS A 75 13.125 10.649 -4.932 1.00 0.00 H new ATOM 1182 N HIS A 76 14.480 11.030 0.187 1.00 0.00 N ATOM 1183 CA HIS A 76 13.603 12.007 0.755 1.00 0.00 C ATOM 1184 C HIS A 76 13.482 13.119 -0.247 1.00 0.00 C ATOM 1185 O HIS A 76 12.453 13.210 -0.915 1.00 0.00 O ATOM 1186 CB HIS A 76 14.113 12.544 2.111 1.00 0.00 C ATOM 1187 CG HIS A 76 13.181 13.548 2.742 1.00 0.00 C ATOM 1188 ND1 HIS A 76 13.495 14.877 2.956 1.00 0.00 N ATOM 1189 CD2 HIS A 76 11.917 13.387 3.205 1.00 0.00 C ATOM 1190 CE1 HIS A 76 12.444 15.465 3.525 1.00 0.00 C ATOM 1191 NE2 HIS A 76 11.452 14.602 3.700 1.00 0.00 N ATOM 1192 OXT HIS A 76 14.473 13.846 -0.444 1.00 0.00 O ATOM 0 H HIS A 76 15.127 11.417 -0.500 1.00 0.00 H new ATOM 0 HA HIS A 76 12.635 11.552 0.965 1.00 0.00 H new ATOM 0 HB2 HIS A 76 14.253 11.708 2.796 1.00 0.00 H new ATOM 0 HB3 HIS A 76 15.090 13.005 1.967 1.00 0.00 H new ATOM 0 HD2 HIS A 76 11.359 12.462 3.192 1.00 0.00 H new ATOM 0 HE1 HIS A 76 12.405 16.507 3.807 1.00 0.00 H new ATOM 0 HE2 HIS A 76 10.538 14.790 4.112 1.00 0.00 H new TER 1200 HIS A 76