USER MOD reduce.3.24.130724 H: found=0, std=0, add=503, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 504 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 39 GLN : amide:sc= 0.753 K(o=1.8,f=-0.54) USER MOD Set 1.2: A 44 THR OG1 : rot 88:sc= 1.07 USER MOD Set 2.1: A 16 CYS SG : rot -23:sc= 0.295 USER MOD Set 2.2: A 19 CYS SG : rot -120:sc= 2.6 USER MOD Set 3.1: A 6 GLN : amide:sc= 0.141 X(o=0.28,f=0.17) USER MOD Set 3.2: A 48 THR OG1 : rot -98:sc= 0.137 USER MOD Single : A 4 MET CE :methyl -159:sc= -0.136 (180deg=-0.705) USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.779 USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 14 MET CE :methyl -122:sc= -1.78! (180deg=-2.76!) USER MOD Single : A 15 SER OG : rot 55:sc= 0.231 USER MOD Single : A 18 HIS : no HD1:sc= -0.1 X(o=-0.1,f=-0.0099) USER MOD Single : A 21 ASN : amide:sc= -0.0514 K(o=-0.051,f=-2.4!) USER MOD Single : A 25 SER OG : rot 71:sc= 0.0335 USER MOD Single : A 26 SER OG : rot 63:sc= -0.173 USER MOD Single : A 28 LYS NZ :NH3+ 137:sc= 0.196 (180deg=0) USER MOD Single : A 31 ASN :FLIP amide:sc= 0 F(o=-0.95,f=0) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0342) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 110:sc= 0.175 USER MOD Single : A 55 THR OG1 : rot -80:sc= 1.36 USER MOD Single : A 57 LYS NZ :NH3+ 171:sc= -0.0205 (180deg=-0.15) USER MOD Single : A 66 GLN : amide:sc= -0.105 X(o=-0.1,f=-0.11) USER MOD Single : A 68 TYR OH : rot 130:sc= -0.263 USER MOD ----------------------------------------------------------------- ATOM 28 N ALA A 3 16.562 -2.507 0.482 1.00 0.00 N ATOM 29 CA ALA A 3 16.095 -3.032 1.760 1.00 0.00 C ATOM 30 C ALA A 3 14.601 -3.329 1.713 1.00 0.00 C ATOM 31 O ALA A 3 13.791 -2.437 1.464 1.00 0.00 O ATOM 32 CB ALA A 3 16.404 -2.046 2.875 1.00 0.00 C ATOM 0 HA ALA A 3 16.620 -3.966 1.959 1.00 0.00 H new ATOM 0 HB1 ALA A 3 16.051 -2.448 3.825 1.00 0.00 H new ATOM 0 HB2 ALA A 3 17.480 -1.882 2.928 1.00 0.00 H new ATOM 0 HB3 ALA A 3 15.903 -1.100 2.673 1.00 0.00 H new ATOM 38 N MET A 4 14.242 -4.585 1.949 1.00 0.00 N ATOM 39 CA MET A 4 12.846 -5.004 1.912 1.00 0.00 C ATOM 40 C MET A 4 12.138 -4.697 3.221 1.00 0.00 C ATOM 41 O MET A 4 12.491 -5.227 4.277 1.00 0.00 O ATOM 42 CB MET A 4 12.737 -6.497 1.604 1.00 0.00 C ATOM 43 CG MET A 4 13.035 -6.830 0.158 1.00 0.00 C ATOM 44 SD MET A 4 11.859 -6.057 -0.968 1.00 0.00 S ATOM 45 CE MET A 4 12.538 -6.538 -2.548 1.00 0.00 C ATOM 0 H MET A 4 14.900 -5.333 2.169 1.00 0.00 H new ATOM 0 HA MET A 4 12.359 -4.439 1.117 1.00 0.00 H new ATOM 0 HB2 MET A 4 13.426 -7.045 2.246 1.00 0.00 H new ATOM 0 HB3 MET A 4 11.732 -6.840 1.849 1.00 0.00 H new ATOM 0 HG2 MET A 4 14.044 -6.501 -0.089 1.00 0.00 H new ATOM 0 HG3 MET A 4 13.010 -7.911 0.022 1.00 0.00 H new ATOM 0 HE1 MET A 4 12.174 -5.862 -3.321 1.00 0.00 H new ATOM 0 HE2 MET A 4 13.626 -6.490 -2.506 1.00 0.00 H new ATOM 0 HE3 MET A 4 12.229 -7.557 -2.782 1.00 0.00 H new ATOM 55 N GLU A 5 11.139 -3.838 3.136 1.00 0.00 N ATOM 56 CA GLU A 5 10.316 -3.490 4.279 1.00 0.00 C ATOM 57 C GLU A 5 8.902 -4.003 4.080 1.00 0.00 C ATOM 58 O GLU A 5 8.282 -3.750 3.046 1.00 0.00 O ATOM 59 CB GLU A 5 10.292 -1.977 4.476 1.00 0.00 C ATOM 60 CG GLU A 5 11.633 -1.404 4.891 1.00 0.00 C ATOM 61 CD GLU A 5 11.992 -1.740 6.323 1.00 0.00 C ATOM 62 OE1 GLU A 5 12.365 -2.898 6.602 1.00 0.00 O ATOM 63 OE2 GLU A 5 11.906 -0.836 7.178 1.00 0.00 O ATOM 0 H GLU A 5 10.876 -3.362 2.273 1.00 0.00 H new ATOM 0 HA GLU A 5 10.744 -3.955 5.167 1.00 0.00 H new ATOM 0 HB2 GLU A 5 9.973 -1.502 3.548 1.00 0.00 H new ATOM 0 HB3 GLU A 5 9.549 -1.728 5.233 1.00 0.00 H new ATOM 0 HG2 GLU A 5 12.408 -1.786 4.227 1.00 0.00 H new ATOM 0 HG3 GLU A 5 11.614 -0.321 4.770 1.00 0.00 H new ATOM 70 N GLN A 6 8.402 -4.734 5.056 1.00 0.00 N ATOM 71 CA GLN A 6 7.040 -5.223 5.008 1.00 0.00 C ATOM 72 C GLN A 6 6.209 -4.530 6.070 1.00 0.00 C ATOM 73 O GLN A 6 6.622 -4.433 7.226 1.00 0.00 O ATOM 74 CB GLN A 6 6.990 -6.737 5.196 1.00 0.00 C ATOM 75 CG GLN A 6 7.759 -7.500 4.135 1.00 0.00 C ATOM 76 CD GLN A 6 7.433 -8.974 4.137 1.00 0.00 C ATOM 77 OE1 GLN A 6 6.527 -9.417 3.435 1.00 0.00 O ATOM 78 NE2 GLN A 6 8.160 -9.738 4.934 1.00 0.00 N ATOM 0 H GLN A 6 8.920 -5.002 5.893 1.00 0.00 H new ATOM 0 HA GLN A 6 6.627 -4.997 4.025 1.00 0.00 H new ATOM 0 HB2 GLN A 6 7.393 -6.988 6.177 1.00 0.00 H new ATOM 0 HB3 GLN A 6 5.950 -7.063 5.186 1.00 0.00 H new ATOM 0 HG2 GLN A 6 7.532 -7.082 3.154 1.00 0.00 H new ATOM 0 HG3 GLN A 6 8.828 -7.367 4.299 1.00 0.00 H new ATOM 0 HE21 GLN A 6 8.902 -9.325 5.499 1.00 0.00 H new ATOM 0 HE22 GLN A 6 7.979 -10.740 4.984 1.00 0.00 H new ATOM 87 N LEU A 7 5.046 -4.044 5.674 1.00 0.00 N ATOM 88 CA LEU A 7 4.218 -3.254 6.566 1.00 0.00 C ATOM 89 C LEU A 7 2.752 -3.622 6.407 1.00 0.00 C ATOM 90 O LEU A 7 2.281 -3.831 5.289 1.00 0.00 O ATOM 91 CB LEU A 7 4.408 -1.767 6.260 1.00 0.00 C ATOM 92 CG LEU A 7 3.887 -0.810 7.326 1.00 0.00 C ATOM 93 CD1 LEU A 7 4.581 -1.068 8.654 1.00 0.00 C ATOM 94 CD2 LEU A 7 4.100 0.625 6.877 1.00 0.00 C ATOM 0 H LEU A 7 4.655 -4.182 4.742 1.00 0.00 H new ATOM 0 HA LEU A 7 4.519 -3.461 7.593 1.00 0.00 H new ATOM 0 HB2 LEU A 7 5.471 -1.576 6.113 1.00 0.00 H new ATOM 0 HB3 LEU A 7 3.910 -1.541 5.317 1.00 0.00 H new ATOM 0 HG LEU A 7 2.819 -0.978 7.464 1.00 0.00 H new ATOM 0 HD11 LEU A 7 4.198 -0.377 9.405 1.00 0.00 H new ATOM 0 HD12 LEU A 7 4.388 -2.093 8.972 1.00 0.00 H new ATOM 0 HD13 LEU A 7 5.655 -0.920 8.538 1.00 0.00 H new ATOM 0 HD21 LEU A 7 3.726 1.305 7.642 1.00 0.00 H new ATOM 0 HD22 LEU A 7 5.164 0.803 6.722 1.00 0.00 H new ATOM 0 HD23 LEU A 7 3.563 0.798 5.944 1.00 0.00 H new ATOM 106 N THR A 8 2.044 -3.716 7.522 1.00 0.00 N ATOM 107 CA THR A 8 0.609 -3.922 7.497 1.00 0.00 C ATOM 108 C THR A 8 -0.109 -2.643 7.922 1.00 0.00 C ATOM 109 O THR A 8 -0.129 -2.296 9.103 1.00 0.00 O ATOM 110 CB THR A 8 0.195 -5.071 8.431 1.00 0.00 C ATOM 111 OG1 THR A 8 1.008 -6.222 8.166 1.00 0.00 O ATOM 112 CG2 THR A 8 -1.273 -5.425 8.241 1.00 0.00 C ATOM 0 H THR A 8 2.444 -3.652 8.458 1.00 0.00 H new ATOM 0 HA THR A 8 0.326 -4.184 6.477 1.00 0.00 H new ATOM 0 HB THR A 8 0.339 -4.747 9.462 1.00 0.00 H new ATOM 0 HG1 THR A 8 0.744 -6.953 8.763 1.00 0.00 H new ATOM 0 HG21 THR A 8 -1.541 -6.240 8.913 1.00 0.00 H new ATOM 0 HG22 THR A 8 -1.889 -4.554 8.464 1.00 0.00 H new ATOM 0 HG23 THR A 8 -1.442 -5.735 7.210 1.00 0.00 H new ATOM 120 N LEU A 9 -0.682 -1.942 6.957 1.00 0.00 N ATOM 121 CA LEU A 9 -1.349 -0.675 7.225 1.00 0.00 C ATOM 122 C LEU A 9 -2.859 -0.857 7.289 1.00 0.00 C ATOM 123 O LEU A 9 -3.426 -1.680 6.566 1.00 0.00 O ATOM 124 CB LEU A 9 -0.987 0.392 6.172 1.00 0.00 C ATOM 125 CG LEU A 9 -0.712 -0.105 4.743 1.00 0.00 C ATOM 126 CD1 LEU A 9 -0.818 1.049 3.762 1.00 0.00 C ATOM 127 CD2 LEU A 9 0.677 -0.721 4.636 1.00 0.00 C ATOM 0 H LEU A 9 -0.699 -2.229 5.978 1.00 0.00 H new ATOM 0 HA LEU A 9 -0.997 -0.325 8.195 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -1.801 1.115 6.129 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -0.104 0.927 6.521 1.00 0.00 H new ATOM 0 HG LEU A 9 -1.455 -0.866 4.504 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -0.622 0.688 2.753 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -1.821 1.474 3.807 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -0.088 1.815 4.021 1.00 0.00 H new ATOM 0 HD21 LEU A 9 0.845 -1.064 3.615 1.00 0.00 H new ATOM 0 HD22 LEU A 9 1.427 0.026 4.896 1.00 0.00 H new ATOM 0 HD23 LEU A 9 0.754 -1.566 5.320 1.00 0.00 H new ATOM 139 N GLN A 10 -3.496 -0.091 8.169 1.00 0.00 N ATOM 140 CA GLN A 10 -4.945 -0.130 8.326 1.00 0.00 C ATOM 141 C GLN A 10 -5.599 0.799 7.315 1.00 0.00 C ATOM 142 O GLN A 10 -5.178 1.941 7.153 1.00 0.00 O ATOM 143 CB GLN A 10 -5.347 0.269 9.749 1.00 0.00 C ATOM 144 CG GLN A 10 -4.816 -0.670 10.813 1.00 0.00 C ATOM 145 CD GLN A 10 -5.305 -0.320 12.206 1.00 0.00 C ATOM 146 OE1 GLN A 10 -5.553 0.844 12.520 1.00 0.00 O ATOM 147 NE2 GLN A 10 -5.457 -1.328 13.049 1.00 0.00 N ATOM 0 H GLN A 10 -3.026 0.569 8.789 1.00 0.00 H new ATOM 0 HA GLN A 10 -5.287 -1.150 8.148 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -4.984 1.277 9.951 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -6.434 0.302 9.815 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -5.117 -1.690 10.573 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -3.726 -0.647 10.799 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -5.241 -2.279 12.751 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -5.791 -1.154 13.997 1.00 0.00 H new ATOM 156 N VAL A 11 -6.622 0.310 6.635 1.00 0.00 N ATOM 157 CA VAL A 11 -7.216 1.043 5.529 1.00 0.00 C ATOM 158 C VAL A 11 -8.678 1.378 5.783 1.00 0.00 C ATOM 159 O VAL A 11 -9.501 0.491 6.014 1.00 0.00 O ATOM 160 CB VAL A 11 -7.128 0.231 4.222 1.00 0.00 C ATOM 161 CG1 VAL A 11 -7.597 1.060 3.036 1.00 0.00 C ATOM 162 CG2 VAL A 11 -5.713 -0.281 4.004 1.00 0.00 C ATOM 0 H VAL A 11 -7.059 -0.591 6.829 1.00 0.00 H new ATOM 0 HA VAL A 11 -6.650 1.970 5.438 1.00 0.00 H new ATOM 0 HB VAL A 11 -7.790 -0.630 4.310 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -7.525 0.465 2.125 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -8.632 1.363 3.191 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -6.970 1.946 2.941 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -5.671 -0.852 3.076 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -5.026 0.563 3.942 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -5.426 -0.922 4.837 1.00 0.00 H new ATOM 172 N GLU A 12 -8.992 2.663 5.735 1.00 0.00 N ATOM 173 CA GLU A 12 -10.371 3.112 5.762 1.00 0.00 C ATOM 174 C GLU A 12 -10.690 3.872 4.482 1.00 0.00 C ATOM 175 O GLU A 12 -9.872 4.651 3.986 1.00 0.00 O ATOM 176 CB GLU A 12 -10.653 3.973 6.993 1.00 0.00 C ATOM 177 CG GLU A 12 -10.588 3.194 8.295 1.00 0.00 C ATOM 178 CD GLU A 12 -11.235 3.930 9.445 1.00 0.00 C ATOM 179 OE1 GLU A 12 -12.477 3.883 9.561 1.00 0.00 O ATOM 180 OE2 GLU A 12 -10.510 4.549 10.250 1.00 0.00 O ATOM 0 H GLU A 12 -8.305 3.415 5.677 1.00 0.00 H new ATOM 0 HA GLU A 12 -11.018 2.237 5.825 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -9.933 4.790 7.030 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -11.641 4.423 6.895 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -11.080 2.230 8.163 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -9.546 2.989 8.540 1.00 0.00 H new ATOM 187 N GLY A 13 -11.872 3.623 3.943 1.00 0.00 N ATOM 188 CA GLY A 13 -12.268 4.237 2.696 1.00 0.00 C ATOM 189 C GLY A 13 -12.804 3.220 1.709 1.00 0.00 C ATOM 190 O GLY A 13 -13.286 3.584 0.637 1.00 0.00 O ATOM 0 H GLY A 13 -12.569 3.001 4.352 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -13.030 4.992 2.889 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -11.413 4.752 2.258 1.00 0.00 H new ATOM 194 N MET A 14 -12.721 1.940 2.073 1.00 0.00 N ATOM 195 CA MET A 14 -13.213 0.865 1.215 1.00 0.00 C ATOM 196 C MET A 14 -14.719 0.987 1.036 1.00 0.00 C ATOM 197 O MET A 14 -15.487 0.740 1.965 1.00 0.00 O ATOM 198 CB MET A 14 -12.865 -0.502 1.810 1.00 0.00 C ATOM 199 CG MET A 14 -11.371 -0.774 1.898 1.00 0.00 C ATOM 200 SD MET A 14 -11.001 -2.356 2.682 1.00 0.00 S ATOM 201 CE MET A 14 -9.216 -2.391 2.560 1.00 0.00 C ATOM 0 H MET A 14 -12.318 1.624 2.955 1.00 0.00 H new ATOM 0 HA MET A 14 -12.730 0.952 0.242 1.00 0.00 H new ATOM 0 HB2 MET A 14 -13.297 -0.573 2.808 1.00 0.00 H new ATOM 0 HB3 MET A 14 -13.331 -1.280 1.205 1.00 0.00 H new ATOM 0 HG2 MET A 14 -10.943 -0.760 0.896 1.00 0.00 H new ATOM 0 HG3 MET A 14 -10.892 0.027 2.460 1.00 0.00 H new ATOM 0 HE1 MET A 14 -8.906 -3.280 2.010 1.00 0.00 H new ATOM 0 HE2 MET A 14 -8.870 -1.501 2.035 1.00 0.00 H new ATOM 0 HE3 MET A 14 -8.783 -2.414 3.560 1.00 0.00 H new ATOM 211 N SER A 15 -15.134 1.388 -0.153 1.00 0.00 N ATOM 212 CA SER A 15 -16.540 1.619 -0.427 1.00 0.00 C ATOM 213 C SER A 15 -17.119 0.524 -1.324 1.00 0.00 C ATOM 214 O SER A 15 -18.277 0.133 -1.170 1.00 0.00 O ATOM 215 CB SER A 15 -16.709 2.988 -1.082 1.00 0.00 C ATOM 216 OG SER A 15 -16.015 3.990 -0.349 1.00 0.00 O ATOM 0 H SER A 15 -14.515 1.560 -0.945 1.00 0.00 H new ATOM 0 HA SER A 15 -17.087 1.595 0.516 1.00 0.00 H new ATOM 0 HB2 SER A 15 -16.334 2.955 -2.105 1.00 0.00 H new ATOM 0 HB3 SER A 15 -17.768 3.241 -1.138 1.00 0.00 H new ATOM 0 HG SER A 15 -15.076 3.730 -0.248 1.00 0.00 H new ATOM 222 N CYS A 16 -16.313 0.027 -2.252 1.00 0.00 N ATOM 223 CA CYS A 16 -16.760 -1.009 -3.174 1.00 0.00 C ATOM 224 C CYS A 16 -15.624 -1.980 -3.475 1.00 0.00 C ATOM 225 O CYS A 16 -14.525 -1.847 -2.930 1.00 0.00 O ATOM 226 CB CYS A 16 -17.261 -0.377 -4.475 1.00 0.00 C ATOM 227 SG CYS A 16 -15.992 0.535 -5.384 1.00 0.00 S ATOM 0 H CYS A 16 -15.347 0.324 -2.387 1.00 0.00 H new ATOM 0 HA CYS A 16 -17.577 -1.558 -2.706 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -17.661 -1.161 -5.118 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -18.085 0.298 -4.245 1.00 0.00 H new ATOM 0 HG CYS A 16 -15.044 0.889 -4.568 1.00 0.00 H new ATOM 233 N GLY A 17 -15.888 -2.947 -4.348 1.00 0.00 N ATOM 234 CA GLY A 17 -14.880 -3.921 -4.715 1.00 0.00 C ATOM 235 C GLY A 17 -13.697 -3.299 -5.431 1.00 0.00 C ATOM 236 O GLY A 17 -12.561 -3.710 -5.221 1.00 0.00 O ATOM 0 H GLY A 17 -16.789 -3.072 -4.810 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -14.529 -4.430 -3.817 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -15.330 -4.679 -5.356 1.00 0.00 H new ATOM 240 N HIS A 18 -13.958 -2.286 -6.257 1.00 0.00 N ATOM 241 CA HIS A 18 -12.900 -1.631 -7.030 1.00 0.00 C ATOM 242 C HIS A 18 -11.875 -0.956 -6.127 1.00 0.00 C ATOM 243 O HIS A 18 -10.744 -0.702 -6.546 1.00 0.00 O ATOM 244 CB HIS A 18 -13.483 -0.602 -8.001 1.00 0.00 C ATOM 245 CG HIS A 18 -14.039 -1.193 -9.260 1.00 0.00 C ATOM 246 ND1 HIS A 18 -15.078 -0.624 -9.958 1.00 0.00 N ATOM 247 CD2 HIS A 18 -13.677 -2.296 -9.959 1.00 0.00 C ATOM 248 CE1 HIS A 18 -15.334 -1.343 -11.032 1.00 0.00 C ATOM 249 NE2 HIS A 18 -14.499 -2.362 -11.057 1.00 0.00 N ATOM 0 H HIS A 18 -14.890 -1.901 -6.409 1.00 0.00 H new ATOM 0 HA HIS A 18 -12.396 -2.413 -7.598 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -14.272 -0.047 -7.494 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -12.706 0.116 -8.262 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -12.891 -2.991 -9.702 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -16.098 -1.133 -11.766 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -14.468 -3.084 -11.777 1.00 0.00 H new ATOM 258 N CYS A 19 -12.266 -0.676 -4.888 1.00 0.00 N ATOM 259 CA CYS A 19 -11.373 -0.039 -3.932 1.00 0.00 C ATOM 260 C CYS A 19 -10.145 -0.906 -3.675 1.00 0.00 C ATOM 261 O CYS A 19 -9.040 -0.389 -3.512 1.00 0.00 O ATOM 262 CB CYS A 19 -12.104 0.240 -2.618 1.00 0.00 C ATOM 263 SG CYS A 19 -13.524 1.345 -2.790 1.00 0.00 S ATOM 0 H CYS A 19 -13.197 -0.881 -4.524 1.00 0.00 H new ATOM 0 HA CYS A 19 -11.044 0.909 -4.358 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -12.441 -0.706 -2.193 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -11.401 0.676 -1.908 1.00 0.00 H new ATOM 0 HG CYS A 19 -13.343 2.402 -2.055 1.00 0.00 H new ATOM 269 N VAL A 20 -10.342 -2.225 -3.668 1.00 0.00 N ATOM 270 CA VAL A 20 -9.250 -3.157 -3.414 1.00 0.00 C ATOM 271 C VAL A 20 -8.224 -3.080 -4.546 1.00 0.00 C ATOM 272 O VAL A 20 -7.018 -3.021 -4.307 1.00 0.00 O ATOM 273 CB VAL A 20 -9.774 -4.613 -3.230 1.00 0.00 C ATOM 274 CG1 VAL A 20 -10.080 -5.305 -4.550 1.00 0.00 C ATOM 275 CG2 VAL A 20 -8.806 -5.444 -2.410 1.00 0.00 C ATOM 0 H VAL A 20 -11.245 -2.668 -3.835 1.00 0.00 H new ATOM 0 HA VAL A 20 -8.764 -2.870 -2.481 1.00 0.00 H new ATOM 0 HB VAL A 20 -10.716 -4.530 -2.688 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -10.441 -6.315 -4.356 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -10.845 -4.743 -5.087 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -9.174 -5.353 -5.154 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -9.198 -6.455 -2.298 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -7.841 -5.483 -2.916 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -8.682 -4.992 -1.426 1.00 0.00 H new ATOM 285 N ASN A 21 -8.722 -3.019 -5.770 1.00 0.00 N ATOM 286 CA ASN A 21 -7.868 -2.962 -6.946 1.00 0.00 C ATOM 287 C ASN A 21 -7.163 -1.615 -7.018 1.00 0.00 C ATOM 288 O ASN A 21 -5.967 -1.541 -7.303 1.00 0.00 O ATOM 289 CB ASN A 21 -8.689 -3.174 -8.218 1.00 0.00 C ATOM 290 CG ASN A 21 -9.574 -4.404 -8.156 1.00 0.00 C ATOM 291 OD1 ASN A 21 -10.744 -4.315 -7.792 1.00 0.00 O ATOM 292 ND2 ASN A 21 -9.018 -5.559 -8.483 1.00 0.00 N ATOM 0 H ASN A 21 -9.721 -3.008 -5.976 1.00 0.00 H new ATOM 0 HA ASN A 21 -7.126 -3.756 -6.866 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -9.310 -2.295 -8.393 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -8.014 -3.262 -9.069 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -9.565 -6.419 -8.438 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -8.043 -5.589 -8.780 1.00 0.00 H new ATOM 299 N ALA A 22 -7.916 -0.554 -6.745 1.00 0.00 N ATOM 300 CA ALA A 22 -7.390 0.802 -6.806 1.00 0.00 C ATOM 301 C ALA A 22 -6.217 0.987 -5.854 1.00 0.00 C ATOM 302 O ALA A 22 -5.147 1.440 -6.262 1.00 0.00 O ATOM 303 CB ALA A 22 -8.487 1.812 -6.499 1.00 0.00 C ATOM 0 H ALA A 22 -8.899 -0.610 -6.478 1.00 0.00 H new ATOM 0 HA ALA A 22 -7.027 0.973 -7.820 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -8.077 2.821 -6.549 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -9.290 1.710 -7.229 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -8.880 1.629 -5.499 1.00 0.00 H new ATOM 309 N ILE A 23 -6.408 0.622 -4.589 1.00 0.00 N ATOM 310 CA ILE A 23 -5.362 0.808 -3.589 1.00 0.00 C ATOM 311 C ILE A 23 -4.179 -0.123 -3.863 1.00 0.00 C ATOM 312 O ILE A 23 -3.022 0.250 -3.642 1.00 0.00 O ATOM 313 CB ILE A 23 -5.879 0.598 -2.144 1.00 0.00 C ATOM 314 CG1 ILE A 23 -4.765 0.894 -1.134 1.00 0.00 C ATOM 315 CG2 ILE A 23 -6.414 -0.813 -1.953 1.00 0.00 C ATOM 316 CD1 ILE A 23 -5.190 0.736 0.309 1.00 0.00 C ATOM 0 H ILE A 23 -7.267 0.201 -4.235 1.00 0.00 H new ATOM 0 HA ILE A 23 -5.032 1.844 -3.670 1.00 0.00 H new ATOM 0 HB ILE A 23 -6.701 1.293 -1.972 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -3.924 0.229 -1.330 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -4.409 1.913 -1.288 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -6.770 -0.932 -0.930 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -7.237 -0.987 -2.646 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -5.619 -1.533 -2.146 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -4.348 0.962 0.963 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -6.011 1.421 0.524 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -5.518 -0.289 0.482 1.00 0.00 H new ATOM 328 N GLU A 24 -4.469 -1.321 -4.364 1.00 0.00 N ATOM 329 CA GLU A 24 -3.421 -2.259 -4.735 1.00 0.00 C ATOM 330 C GLU A 24 -2.475 -1.617 -5.740 1.00 0.00 C ATOM 331 O GLU A 24 -1.258 -1.650 -5.566 1.00 0.00 O ATOM 332 CB GLU A 24 -4.016 -3.539 -5.318 1.00 0.00 C ATOM 333 CG GLU A 24 -2.971 -4.536 -5.785 1.00 0.00 C ATOM 334 CD GLU A 24 -3.586 -5.762 -6.418 1.00 0.00 C ATOM 335 OE1 GLU A 24 -4.000 -6.673 -5.679 1.00 0.00 O ATOM 336 OE2 GLU A 24 -3.651 -5.825 -7.665 1.00 0.00 O ATOM 0 H GLU A 24 -5.418 -1.661 -4.521 1.00 0.00 H new ATOM 0 HA GLU A 24 -2.863 -2.520 -3.836 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -4.647 -4.012 -4.566 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -4.661 -3.280 -6.158 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -2.308 -4.054 -6.503 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -2.356 -4.838 -4.937 1.00 0.00 H new ATOM 343 N SER A 25 -3.035 -1.012 -6.782 1.00 0.00 N ATOM 344 CA SER A 25 -2.220 -0.339 -7.783 1.00 0.00 C ATOM 345 C SER A 25 -1.618 0.943 -7.228 1.00 0.00 C ATOM 346 O SER A 25 -0.525 1.332 -7.624 1.00 0.00 O ATOM 347 CB SER A 25 -3.024 -0.020 -9.033 1.00 0.00 C ATOM 348 OG SER A 25 -3.648 -1.182 -9.555 1.00 0.00 O ATOM 0 H SER A 25 -4.040 -0.974 -6.954 1.00 0.00 H new ATOM 0 HA SER A 25 -1.416 -1.024 -8.050 1.00 0.00 H new ATOM 0 HB2 SER A 25 -3.781 0.728 -8.800 1.00 0.00 H new ATOM 0 HB3 SER A 25 -2.369 0.414 -9.788 1.00 0.00 H new ATOM 0 HG SER A 25 -4.375 -1.458 -8.959 1.00 0.00 H new ATOM 354 N SER A 26 -2.326 1.597 -6.310 1.00 0.00 N ATOM 355 CA SER A 26 -1.803 2.803 -5.676 1.00 0.00 C ATOM 356 C SER A 26 -0.431 2.515 -5.083 1.00 0.00 C ATOM 357 O SER A 26 0.463 3.358 -5.116 1.00 0.00 O ATOM 358 CB SER A 26 -2.757 3.299 -4.586 1.00 0.00 C ATOM 359 OG SER A 26 -4.047 3.560 -5.114 1.00 0.00 O ATOM 0 H SER A 26 -3.253 1.316 -5.992 1.00 0.00 H new ATOM 0 HA SER A 26 -1.712 3.585 -6.430 1.00 0.00 H new ATOM 0 HB2 SER A 26 -2.829 2.553 -3.795 1.00 0.00 H new ATOM 0 HB3 SER A 26 -2.356 4.206 -4.133 1.00 0.00 H new ATOM 0 HG SER A 26 -4.436 2.727 -5.455 1.00 0.00 H new ATOM 365 N VAL A 27 -0.276 1.315 -4.544 1.00 0.00 N ATOM 366 CA VAL A 27 1.020 0.855 -4.077 1.00 0.00 C ATOM 367 C VAL A 27 1.845 0.279 -5.232 1.00 0.00 C ATOM 368 O VAL A 27 2.956 0.728 -5.499 1.00 0.00 O ATOM 369 CB VAL A 27 0.880 -0.223 -2.985 1.00 0.00 C ATOM 370 CG1 VAL A 27 2.228 -0.525 -2.357 1.00 0.00 C ATOM 371 CG2 VAL A 27 -0.127 0.200 -1.929 1.00 0.00 C ATOM 0 H VAL A 27 -1.033 0.643 -4.420 1.00 0.00 H new ATOM 0 HA VAL A 27 1.529 1.723 -3.657 1.00 0.00 H new ATOM 0 HB VAL A 27 0.510 -1.135 -3.453 1.00 0.00 H new ATOM 0 HG11 VAL A 27 2.108 -1.288 -1.588 1.00 0.00 H new ATOM 0 HG12 VAL A 27 2.914 -0.886 -3.123 1.00 0.00 H new ATOM 0 HG13 VAL A 27 2.631 0.382 -1.907 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.207 -0.578 -1.170 1.00 0.00 H new ATOM 0 HG22 VAL A 27 0.203 1.129 -1.463 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.100 0.354 -2.395 1.00 0.00 H new ATOM 381 N LYS A 28 1.273 -0.702 -5.923 1.00 0.00 N ATOM 382 CA LYS A 28 2.000 -1.512 -6.907 1.00 0.00 C ATOM 383 C LYS A 28 2.536 -0.694 -8.085 1.00 0.00 C ATOM 384 O LYS A 28 3.563 -1.042 -8.666 1.00 0.00 O ATOM 385 CB LYS A 28 1.097 -2.632 -7.430 1.00 0.00 C ATOM 386 CG LYS A 28 1.810 -3.617 -8.346 1.00 0.00 C ATOM 387 CD LYS A 28 0.869 -4.695 -8.864 1.00 0.00 C ATOM 388 CE LYS A 28 0.282 -5.523 -7.732 1.00 0.00 C ATOM 389 NZ LYS A 28 -0.606 -6.600 -8.235 1.00 0.00 N ATOM 0 H LYS A 28 0.292 -0.962 -5.820 1.00 0.00 H new ATOM 0 HA LYS A 28 2.864 -1.929 -6.389 1.00 0.00 H new ATOM 0 HB2 LYS A 28 0.679 -3.175 -6.582 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.259 -2.189 -7.969 1.00 0.00 H new ATOM 0 HG2 LYS A 28 2.245 -3.079 -9.189 1.00 0.00 H new ATOM 0 HG3 LYS A 28 2.634 -4.083 -7.806 1.00 0.00 H new ATOM 0 HD2 LYS A 28 0.062 -4.231 -9.431 1.00 0.00 H new ATOM 0 HD3 LYS A 28 1.407 -5.348 -9.551 1.00 0.00 H new ATOM 0 HE2 LYS A 28 1.090 -5.963 -7.147 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -0.280 -4.873 -7.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -0.417 -7.479 -7.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -1.599 -6.323 -8.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -0.426 -6.754 -9.248 1.00 0.00 H new ATOM 403 N GLU A 29 1.845 0.375 -8.451 1.00 0.00 N ATOM 404 CA GLU A 29 2.261 1.186 -9.591 1.00 0.00 C ATOM 405 C GLU A 29 3.490 2.008 -9.261 1.00 0.00 C ATOM 406 O GLU A 29 4.145 2.555 -10.150 1.00 0.00 O ATOM 407 CB GLU A 29 1.135 2.100 -10.046 1.00 0.00 C ATOM 408 CG GLU A 29 0.066 1.353 -10.817 1.00 0.00 C ATOM 409 CD GLU A 29 0.527 0.918 -12.192 1.00 0.00 C ATOM 410 OE1 GLU A 29 1.294 -0.062 -12.287 1.00 0.00 O ATOM 411 OE2 GLU A 29 0.106 1.541 -13.190 1.00 0.00 O ATOM 0 H GLU A 29 1.000 0.701 -7.981 1.00 0.00 H new ATOM 0 HA GLU A 29 2.510 0.503 -10.403 1.00 0.00 H new ATOM 0 HB2 GLU A 29 0.685 2.579 -9.177 1.00 0.00 H new ATOM 0 HB3 GLU A 29 1.544 2.893 -10.672 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -0.240 0.475 -10.247 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -0.813 1.989 -10.918 1.00 0.00 H new ATOM 418 N LEU A 30 3.792 2.105 -7.984 1.00 0.00 N ATOM 419 CA LEU A 30 4.953 2.860 -7.543 1.00 0.00 C ATOM 420 C LEU A 30 6.232 2.047 -7.734 1.00 0.00 C ATOM 421 O LEU A 30 6.271 0.848 -7.450 1.00 0.00 O ATOM 422 CB LEU A 30 4.816 3.274 -6.077 1.00 0.00 C ATOM 423 CG LEU A 30 3.523 4.009 -5.720 1.00 0.00 C ATOM 424 CD1 LEU A 30 3.597 4.560 -4.306 1.00 0.00 C ATOM 425 CD2 LEU A 30 3.238 5.123 -6.719 1.00 0.00 C ATOM 0 H LEU A 30 3.254 1.673 -7.233 1.00 0.00 H new ATOM 0 HA LEU A 30 5.012 3.761 -8.154 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.889 2.381 -5.457 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.660 3.913 -5.817 1.00 0.00 H new ATOM 0 HG LEU A 30 2.701 3.295 -5.768 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.669 5.080 -4.069 1.00 0.00 H new ATOM 0 HD12 LEU A 30 3.743 3.740 -3.603 1.00 0.00 H new ATOM 0 HD13 LEU A 30 4.432 5.256 -4.230 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.314 5.631 -6.444 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.061 5.838 -6.711 1.00 0.00 H new ATOM 0 HD23 LEU A 30 3.135 4.699 -7.718 1.00 0.00 H new ATOM 437 N ASN A 31 7.272 2.705 -8.227 1.00 0.00 N ATOM 438 CA ASN A 31 8.556 2.055 -8.449 1.00 0.00 C ATOM 439 C ASN A 31 9.256 1.796 -7.121 1.00 0.00 C ATOM 440 O ASN A 31 9.522 2.723 -6.356 1.00 0.00 O ATOM 441 CB ASN A 31 9.447 2.918 -9.346 1.00 0.00 C ATOM 442 CG ASN A 31 10.750 2.232 -9.720 1.00 0.00 C ATOM 443 OD1 ASN A 31 10.708 0.921 -9.902 1.00 0.00 O flip ATOM 444 ND2 ASN A 31 11.784 2.884 -9.865 1.00 0.00 N flip ATOM 0 H ASN A 31 7.251 3.692 -8.482 1.00 0.00 H new ATOM 0 HA ASN A 31 8.375 1.102 -8.946 1.00 0.00 H new ATOM 0 HB2 ASN A 31 8.902 3.172 -10.255 1.00 0.00 H new ATOM 0 HB3 ASN A 31 9.669 3.855 -8.835 1.00 0.00 H new ATOM 0 HD21 ASN A 31 11.776 3.893 -9.716 1.00 0.00 H new ATOM 0 HD22 ASN A 31 12.649 2.415 -10.135 1.00 0.00 H new ATOM 451 N GLY A 32 9.551 0.535 -6.856 1.00 0.00 N ATOM 452 CA GLY A 32 10.181 0.167 -5.604 1.00 0.00 C ATOM 453 C GLY A 32 9.279 -0.701 -4.756 1.00 0.00 C ATOM 454 O GLY A 32 9.592 -1.002 -3.603 1.00 0.00 O ATOM 0 H GLY A 32 9.365 -0.245 -7.487 1.00 0.00 H new ATOM 0 HA2 GLY A 32 11.111 -0.364 -5.807 1.00 0.00 H new ATOM 0 HA3 GLY A 32 10.444 1.068 -5.050 1.00 0.00 H new ATOM 458 N VAL A 33 8.159 -1.107 -5.328 1.00 0.00 N ATOM 459 CA VAL A 33 7.219 -1.957 -4.641 1.00 0.00 C ATOM 460 C VAL A 33 7.342 -3.368 -5.163 1.00 0.00 C ATOM 461 O VAL A 33 7.068 -3.650 -6.330 1.00 0.00 O ATOM 462 CB VAL A 33 5.775 -1.452 -4.798 1.00 0.00 C ATOM 463 CG1 VAL A 33 4.781 -2.457 -4.233 1.00 0.00 C ATOM 464 CG2 VAL A 33 5.629 -0.110 -4.104 1.00 0.00 C ATOM 0 H VAL A 33 7.882 -0.855 -6.277 1.00 0.00 H new ATOM 0 HA VAL A 33 7.455 -1.938 -3.577 1.00 0.00 H new ATOM 0 HB VAL A 33 5.558 -1.333 -5.860 1.00 0.00 H new ATOM 0 HG11 VAL A 33 3.768 -2.075 -4.357 1.00 0.00 H new ATOM 0 HG12 VAL A 33 4.879 -3.404 -4.764 1.00 0.00 H new ATOM 0 HG13 VAL A 33 4.983 -2.612 -3.173 1.00 0.00 H new ATOM 0 HG21 VAL A 33 4.605 0.248 -4.215 1.00 0.00 H new ATOM 0 HG22 VAL A 33 5.861 -0.221 -3.045 1.00 0.00 H new ATOM 0 HG23 VAL A 33 6.315 0.608 -4.553 1.00 0.00 H new ATOM 474 N GLU A 34 7.775 -4.240 -4.288 1.00 0.00 N ATOM 475 CA GLU A 34 8.046 -5.614 -4.642 1.00 0.00 C ATOM 476 C GLU A 34 6.757 -6.428 -4.632 1.00 0.00 C ATOM 477 O GLU A 34 6.382 -7.034 -5.635 1.00 0.00 O ATOM 478 CB GLU A 34 9.063 -6.180 -3.655 1.00 0.00 C ATOM 479 CG GLU A 34 9.396 -7.645 -3.870 1.00 0.00 C ATOM 480 CD GLU A 34 10.088 -7.890 -5.198 1.00 0.00 C ATOM 481 OE1 GLU A 34 11.335 -7.803 -5.251 1.00 0.00 O ATOM 482 OE2 GLU A 34 9.394 -8.158 -6.197 1.00 0.00 O ATOM 0 H GLU A 34 7.950 -4.019 -3.308 1.00 0.00 H new ATOM 0 HA GLU A 34 8.457 -5.666 -5.650 1.00 0.00 H new ATOM 0 HB2 GLU A 34 9.981 -5.597 -3.724 1.00 0.00 H new ATOM 0 HB3 GLU A 34 8.679 -6.052 -2.643 1.00 0.00 H new ATOM 0 HG2 GLU A 34 10.037 -7.992 -3.060 1.00 0.00 H new ATOM 0 HG3 GLU A 34 8.480 -8.234 -3.826 1.00 0.00 H new ATOM 489 N GLN A 35 6.070 -6.417 -3.500 1.00 0.00 N ATOM 490 CA GLN A 35 4.818 -7.147 -3.355 1.00 0.00 C ATOM 491 C GLN A 35 3.819 -6.311 -2.578 1.00 0.00 C ATOM 492 O GLN A 35 4.207 -5.414 -1.832 1.00 0.00 O ATOM 493 CB GLN A 35 5.043 -8.482 -2.638 1.00 0.00 C ATOM 494 CG GLN A 35 5.878 -9.477 -3.428 1.00 0.00 C ATOM 495 CD GLN A 35 6.019 -10.805 -2.716 1.00 0.00 C ATOM 496 OE1 GLN A 35 5.198 -11.708 -2.890 1.00 0.00 O ATOM 497 NE2 GLN A 35 7.056 -10.938 -1.906 1.00 0.00 N ATOM 0 H GLN A 35 6.359 -5.908 -2.664 1.00 0.00 H new ATOM 0 HA GLN A 35 4.425 -7.352 -4.351 1.00 0.00 H new ATOM 0 HB2 GLN A 35 5.532 -8.291 -1.683 1.00 0.00 H new ATOM 0 HB3 GLN A 35 4.075 -8.931 -2.417 1.00 0.00 H new ATOM 0 HG2 GLN A 35 5.420 -9.638 -4.404 1.00 0.00 H new ATOM 0 HG3 GLN A 35 6.868 -9.056 -3.606 1.00 0.00 H new ATOM 0 HE21 GLN A 35 7.714 -10.167 -1.789 1.00 0.00 H new ATOM 0 HE22 GLN A 35 7.198 -11.811 -1.399 1.00 0.00 H new ATOM 506 N VAL A 36 2.541 -6.598 -2.756 1.00 0.00 N ATOM 507 CA VAL A 36 1.491 -5.880 -2.053 1.00 0.00 C ATOM 508 C VAL A 36 0.169 -6.639 -2.131 1.00 0.00 C ATOM 509 O VAL A 36 -0.372 -6.867 -3.212 1.00 0.00 O ATOM 510 CB VAL A 36 1.311 -4.442 -2.607 1.00 0.00 C ATOM 511 CG1 VAL A 36 1.138 -4.443 -4.120 1.00 0.00 C ATOM 512 CG2 VAL A 36 0.134 -3.746 -1.938 1.00 0.00 C ATOM 0 H VAL A 36 2.204 -7.327 -3.385 1.00 0.00 H new ATOM 0 HA VAL A 36 1.795 -5.805 -1.009 1.00 0.00 H new ATOM 0 HB VAL A 36 2.220 -3.887 -2.375 1.00 0.00 H new ATOM 0 HG11 VAL A 36 1.015 -3.419 -4.473 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.019 -4.884 -4.587 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.256 -5.027 -4.385 1.00 0.00 H new ATOM 0 HG21 VAL A 36 0.028 -2.740 -2.343 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -0.779 -4.311 -2.128 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.308 -3.688 -0.864 1.00 0.00 H new ATOM 522 N LYS A 37 -0.338 -7.054 -0.982 1.00 0.00 N ATOM 523 CA LYS A 37 -1.635 -7.704 -0.925 1.00 0.00 C ATOM 524 C LYS A 37 -2.598 -6.900 -0.062 1.00 0.00 C ATOM 525 O LYS A 37 -2.406 -6.755 1.148 1.00 0.00 O ATOM 526 CB LYS A 37 -1.523 -9.148 -0.414 1.00 0.00 C ATOM 527 CG LYS A 37 -0.798 -9.299 0.915 1.00 0.00 C ATOM 528 CD LYS A 37 -0.963 -10.704 1.472 1.00 0.00 C ATOM 529 CE LYS A 37 -0.209 -10.887 2.779 1.00 0.00 C ATOM 530 NZ LYS A 37 1.263 -10.902 2.573 1.00 0.00 N ATOM 0 H LYS A 37 0.127 -6.953 -0.080 1.00 0.00 H new ATOM 0 HA LYS A 37 -2.029 -7.746 -1.940 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -2.526 -9.562 -0.314 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -1.005 -9.745 -1.165 1.00 0.00 H new ATOM 0 HG2 LYS A 37 0.261 -9.079 0.782 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -1.187 -8.573 1.629 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -2.022 -10.909 1.632 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -0.604 -11.429 0.741 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -0.471 -10.082 3.465 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -0.519 -11.820 3.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 1.735 -11.163 3.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 1.503 -11.596 1.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 1.582 -9.958 2.276 1.00 0.00 H new ATOM 544 N VAL A 38 -3.614 -6.347 -0.698 1.00 0.00 N ATOM 545 CA VAL A 38 -4.644 -5.609 0.012 1.00 0.00 C ATOM 546 C VAL A 38 -5.778 -6.541 0.430 1.00 0.00 C ATOM 547 O VAL A 38 -6.358 -7.255 -0.391 1.00 0.00 O ATOM 548 CB VAL A 38 -5.191 -4.430 -0.829 1.00 0.00 C ATOM 549 CG1 VAL A 38 -5.493 -4.859 -2.257 1.00 0.00 C ATOM 550 CG2 VAL A 38 -6.428 -3.829 -0.176 1.00 0.00 C ATOM 0 H VAL A 38 -3.749 -6.395 -1.708 1.00 0.00 H new ATOM 0 HA VAL A 38 -4.187 -5.187 0.907 1.00 0.00 H new ATOM 0 HB VAL A 38 -4.416 -3.665 -0.869 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -5.875 -4.007 -2.820 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -4.580 -5.225 -2.728 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -6.240 -5.653 -2.248 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -6.795 -3.002 -0.784 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -7.203 -4.591 -0.094 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -6.173 -3.463 0.818 1.00 0.00 H new ATOM 560 N GLN A 39 -6.075 -6.539 1.717 1.00 0.00 N ATOM 561 CA GLN A 39 -7.098 -7.406 2.271 1.00 0.00 C ATOM 562 C GLN A 39 -8.401 -6.633 2.437 1.00 0.00 C ATOM 563 O GLN A 39 -8.566 -5.891 3.405 1.00 0.00 O ATOM 564 CB GLN A 39 -6.639 -7.941 3.626 1.00 0.00 C ATOM 565 CG GLN A 39 -5.233 -8.520 3.607 1.00 0.00 C ATOM 566 CD GLN A 39 -4.698 -8.776 4.999 1.00 0.00 C ATOM 567 OE1 GLN A 39 -4.095 -7.895 5.613 1.00 0.00 O ATOM 568 NE2 GLN A 39 -4.910 -9.978 5.508 1.00 0.00 N ATOM 0 H GLN A 39 -5.617 -5.940 2.404 1.00 0.00 H new ATOM 0 HA GLN A 39 -7.265 -8.241 1.591 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -6.681 -7.135 4.359 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -7.336 -8.711 3.958 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -5.234 -9.453 3.044 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -4.567 -7.833 3.085 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -5.414 -10.680 4.966 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -4.569 -10.203 6.443 1.00 0.00 H new ATOM 577 N LEU A 40 -9.313 -6.796 1.488 1.00 0.00 N ATOM 578 CA LEU A 40 -10.588 -6.082 1.520 1.00 0.00 C ATOM 579 C LEU A 40 -11.396 -6.516 2.745 1.00 0.00 C ATOM 580 O LEU A 40 -11.964 -5.689 3.456 1.00 0.00 O ATOM 581 CB LEU A 40 -11.372 -6.355 0.223 1.00 0.00 C ATOM 582 CG LEU A 40 -12.430 -5.309 -0.185 1.00 0.00 C ATOM 583 CD1 LEU A 40 -13.585 -5.261 0.804 1.00 0.00 C ATOM 584 CD2 LEU A 40 -11.794 -3.934 -0.326 1.00 0.00 C ATOM 0 H LEU A 40 -9.196 -7.415 0.686 1.00 0.00 H new ATOM 0 HA LEU A 40 -10.402 -5.010 1.592 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -10.656 -6.449 -0.593 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -11.870 -7.320 0.324 1.00 0.00 H new ATOM 0 HG LEU A 40 -12.835 -5.611 -1.151 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -14.309 -4.512 0.482 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -14.068 -6.237 0.848 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -13.207 -4.999 1.792 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -12.555 -3.209 -0.614 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -11.353 -3.638 0.626 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -11.018 -3.969 -1.091 1.00 0.00 H new ATOM 596 N ALA A 41 -11.417 -7.818 2.996 1.00 0.00 N ATOM 597 CA ALA A 41 -12.185 -8.376 4.103 1.00 0.00 C ATOM 598 C ALA A 41 -11.648 -7.922 5.459 1.00 0.00 C ATOM 599 O ALA A 41 -12.407 -7.770 6.417 1.00 0.00 O ATOM 600 CB ALA A 41 -12.188 -9.892 4.021 1.00 0.00 C ATOM 0 H ALA A 41 -10.909 -8.511 2.446 1.00 0.00 H new ATOM 0 HA ALA A 41 -13.206 -8.005 4.016 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -12.764 -10.300 4.852 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -12.638 -10.205 3.079 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -11.164 -10.261 4.073 1.00 0.00 H new ATOM 606 N GLU A 42 -10.343 -7.698 5.541 1.00 0.00 N ATOM 607 CA GLU A 42 -9.719 -7.329 6.808 1.00 0.00 C ATOM 608 C GLU A 42 -9.676 -5.815 6.979 1.00 0.00 C ATOM 609 O GLU A 42 -9.785 -5.297 8.092 1.00 0.00 O ATOM 610 CB GLU A 42 -8.299 -7.891 6.894 1.00 0.00 C ATOM 611 CG GLU A 42 -8.206 -9.374 6.577 1.00 0.00 C ATOM 612 CD GLU A 42 -9.125 -10.221 7.429 1.00 0.00 C ATOM 613 OE1 GLU A 42 -8.819 -10.422 8.623 1.00 0.00 O ATOM 614 OE2 GLU A 42 -10.160 -10.688 6.914 1.00 0.00 O ATOM 0 H GLU A 42 -9.699 -7.764 4.753 1.00 0.00 H new ATOM 0 HA GLU A 42 -10.324 -7.756 7.608 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -7.658 -7.341 6.205 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -7.910 -7.718 7.898 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -8.448 -9.531 5.526 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -7.178 -9.707 6.721 1.00 0.00 H new ATOM 621 N GLY A 43 -9.524 -5.110 5.870 1.00 0.00 N ATOM 622 CA GLY A 43 -9.374 -3.672 5.924 1.00 0.00 C ATOM 623 C GLY A 43 -7.937 -3.272 6.171 1.00 0.00 C ATOM 624 O GLY A 43 -7.661 -2.213 6.732 1.00 0.00 O ATOM 0 H GLY A 43 -9.502 -5.509 4.931 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -9.718 -3.234 4.987 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -10.006 -3.269 6.716 1.00 0.00 H new ATOM 628 N THR A 44 -7.019 -4.135 5.764 1.00 0.00 N ATOM 629 CA THR A 44 -5.598 -3.883 5.927 1.00 0.00 C ATOM 630 C THR A 44 -4.833 -4.252 4.662 1.00 0.00 C ATOM 631 O THR A 44 -5.354 -4.954 3.796 1.00 0.00 O ATOM 632 CB THR A 44 -5.024 -4.674 7.121 1.00 0.00 C ATOM 633 OG1 THR A 44 -5.527 -6.020 7.107 1.00 0.00 O ATOM 634 CG2 THR A 44 -5.382 -4.006 8.439 1.00 0.00 C ATOM 0 H THR A 44 -7.237 -5.024 5.314 1.00 0.00 H new ATOM 0 HA THR A 44 -5.478 -2.817 6.121 1.00 0.00 H new ATOM 0 HB THR A 44 -3.938 -4.691 7.027 1.00 0.00 H new ATOM 0 HG1 THR A 44 -4.946 -6.581 6.552 1.00 0.00 H new ATOM 0 HG21 THR A 44 -4.966 -4.583 9.264 1.00 0.00 H new ATOM 0 HG22 THR A 44 -4.971 -2.997 8.459 1.00 0.00 H new ATOM 0 HG23 THR A 44 -6.466 -3.959 8.540 1.00 0.00 H new ATOM 642 N VAL A 45 -3.606 -3.764 4.547 1.00 0.00 N ATOM 643 CA VAL A 45 -2.765 -4.079 3.401 1.00 0.00 C ATOM 644 C VAL A 45 -1.362 -4.446 3.861 1.00 0.00 C ATOM 645 O VAL A 45 -0.740 -3.700 4.618 1.00 0.00 O ATOM 646 CB VAL A 45 -2.666 -2.890 2.416 1.00 0.00 C ATOM 647 CG1 VAL A 45 -1.840 -3.267 1.196 1.00 0.00 C ATOM 648 CG2 VAL A 45 -4.044 -2.416 1.989 1.00 0.00 C ATOM 0 H VAL A 45 -3.171 -3.148 5.234 1.00 0.00 H new ATOM 0 HA VAL A 45 -3.228 -4.922 2.888 1.00 0.00 H new ATOM 0 HB VAL A 45 -2.168 -2.071 2.935 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -1.784 -2.416 0.517 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -0.835 -3.548 1.510 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -2.309 -4.108 0.685 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -3.943 -1.580 1.297 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -4.573 -3.232 1.497 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -4.606 -2.095 2.866 1.00 0.00 H new ATOM 658 N GLU A 46 -0.877 -5.599 3.423 1.00 0.00 N ATOM 659 CA GLU A 46 0.493 -5.996 3.700 1.00 0.00 C ATOM 660 C GLU A 46 1.357 -5.757 2.472 1.00 0.00 C ATOM 661 O GLU A 46 1.148 -6.367 1.420 1.00 0.00 O ATOM 662 CB GLU A 46 0.570 -7.460 4.131 1.00 0.00 C ATOM 663 CG GLU A 46 -0.123 -7.739 5.452 1.00 0.00 C ATOM 664 CD GLU A 46 0.152 -9.135 5.965 1.00 0.00 C ATOM 665 OE1 GLU A 46 1.287 -9.389 6.425 1.00 0.00 O ATOM 666 OE2 GLU A 46 -0.754 -9.989 5.904 1.00 0.00 O ATOM 0 H GLU A 46 -1.412 -6.274 2.876 1.00 0.00 H new ATOM 0 HA GLU A 46 0.866 -5.389 4.525 1.00 0.00 H new ATOM 0 HB2 GLU A 46 0.122 -8.083 3.356 1.00 0.00 H new ATOM 0 HB3 GLU A 46 1.617 -7.753 4.210 1.00 0.00 H new ATOM 0 HG2 GLU A 46 0.207 -7.011 6.193 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -1.198 -7.605 5.331 1.00 0.00 H new ATOM 673 N VAL A 47 2.313 -4.854 2.604 1.00 0.00 N ATOM 674 CA VAL A 47 3.139 -4.448 1.476 1.00 0.00 C ATOM 675 C VAL A 47 4.603 -4.815 1.697 1.00 0.00 C ATOM 676 O VAL A 47 5.111 -4.722 2.812 1.00 0.00 O ATOM 677 CB VAL A 47 3.047 -2.926 1.237 1.00 0.00 C ATOM 678 CG1 VAL A 47 3.753 -2.539 -0.048 1.00 0.00 C ATOM 679 CG2 VAL A 47 1.601 -2.459 1.217 1.00 0.00 C ATOM 0 H VAL A 47 2.538 -4.386 3.482 1.00 0.00 H new ATOM 0 HA VAL A 47 2.759 -4.980 0.604 1.00 0.00 H new ATOM 0 HB VAL A 47 3.548 -2.428 2.067 1.00 0.00 H new ATOM 0 HG11 VAL A 47 3.675 -1.462 -0.196 1.00 0.00 H new ATOM 0 HG12 VAL A 47 4.804 -2.822 0.015 1.00 0.00 H new ATOM 0 HG13 VAL A 47 3.288 -3.055 -0.888 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.569 -1.383 1.047 1.00 0.00 H new ATOM 0 HG22 VAL A 47 1.065 -2.969 0.417 1.00 0.00 H new ATOM 0 HG23 VAL A 47 1.131 -2.689 2.173 1.00 0.00 H new ATOM 689 N THR A 48 5.265 -5.235 0.628 1.00 0.00 N ATOM 690 CA THR A 48 6.698 -5.468 0.641 1.00 0.00 C ATOM 691 C THR A 48 7.372 -4.467 -0.293 1.00 0.00 C ATOM 692 O THR A 48 7.281 -4.594 -1.515 1.00 0.00 O ATOM 693 CB THR A 48 7.046 -6.899 0.177 1.00 0.00 C ATOM 694 OG1 THR A 48 6.177 -7.849 0.813 1.00 0.00 O ATOM 695 CG2 THR A 48 8.496 -7.239 0.501 1.00 0.00 C ATOM 0 H THR A 48 4.822 -5.423 -0.271 1.00 0.00 H new ATOM 0 HA THR A 48 7.053 -5.346 1.664 1.00 0.00 H new ATOM 0 HB THR A 48 6.909 -6.947 -0.903 1.00 0.00 H new ATOM 0 HG1 THR A 48 6.630 -8.237 1.590 1.00 0.00 H new ATOM 0 HG21 THR A 48 8.716 -8.252 0.164 1.00 0.00 H new ATOM 0 HG22 THR A 48 9.157 -6.536 -0.007 1.00 0.00 H new ATOM 0 HG23 THR A 48 8.654 -7.172 1.577 1.00 0.00 H new ATOM 703 N ILE A 49 8.018 -3.459 0.270 1.00 0.00 N ATOM 704 CA ILE A 49 8.658 -2.430 -0.539 1.00 0.00 C ATOM 705 C ILE A 49 10.159 -2.446 -0.352 1.00 0.00 C ATOM 706 O ILE A 49 10.676 -3.073 0.568 1.00 0.00 O ATOM 707 CB ILE A 49 8.160 -1.013 -0.186 1.00 0.00 C ATOM 708 CG1 ILE A 49 8.434 -0.705 1.293 1.00 0.00 C ATOM 709 CG2 ILE A 49 6.684 -0.871 -0.506 1.00 0.00 C ATOM 710 CD1 ILE A 49 8.242 0.751 1.661 1.00 0.00 C ATOM 0 H ILE A 49 8.114 -3.330 1.277 1.00 0.00 H new ATOM 0 HA ILE A 49 8.396 -2.659 -1.572 1.00 0.00 H new ATOM 0 HB ILE A 49 8.706 -0.290 -0.792 1.00 0.00 H new ATOM 0 HG12 ILE A 49 7.774 -1.316 1.910 1.00 0.00 H new ATOM 0 HG13 ILE A 49 9.456 -0.999 1.532 1.00 0.00 H new ATOM 0 HG21 ILE A 49 6.351 0.135 -0.250 1.00 0.00 H new ATOM 0 HG22 ILE A 49 6.524 -1.047 -1.570 1.00 0.00 H new ATOM 0 HG23 ILE A 49 6.115 -1.599 0.072 1.00 0.00 H new ATOM 0 HD11 ILE A 49 8.454 0.889 2.721 1.00 0.00 H new ATOM 0 HD12 ILE A 49 8.921 1.368 1.072 1.00 0.00 H new ATOM 0 HD13 ILE A 49 7.213 1.046 1.455 1.00 0.00 H new ATOM 722 N ASP A 50 10.847 -1.751 -1.236 1.00 0.00 N ATOM 723 CA ASP A 50 12.266 -1.526 -1.085 1.00 0.00 C ATOM 724 C ASP A 50 12.475 -0.100 -0.606 1.00 0.00 C ATOM 725 O ASP A 50 12.365 0.845 -1.391 1.00 0.00 O ATOM 726 CB ASP A 50 12.993 -1.747 -2.409 1.00 0.00 C ATOM 727 CG ASP A 50 14.484 -1.933 -2.226 1.00 0.00 C ATOM 728 OD1 ASP A 50 15.113 -1.131 -1.500 1.00 0.00 O ATOM 729 OD2 ASP A 50 15.034 -2.887 -2.819 1.00 0.00 O ATOM 0 H ASP A 50 10.440 -1.331 -2.072 1.00 0.00 H new ATOM 0 HA ASP A 50 12.673 -2.231 -0.360 1.00 0.00 H new ATOM 0 HB2 ASP A 50 12.579 -2.624 -2.906 1.00 0.00 H new ATOM 0 HB3 ASP A 50 12.814 -0.895 -3.065 1.00 0.00 H new ATOM 734 N SER A 51 12.762 0.056 0.678 1.00 0.00 N ATOM 735 CA SER A 51 12.822 1.377 1.292 1.00 0.00 C ATOM 736 C SER A 51 14.063 2.145 0.844 1.00 0.00 C ATOM 737 O SER A 51 14.204 3.340 1.121 1.00 0.00 O ATOM 738 CB SER A 51 12.789 1.246 2.815 1.00 0.00 C ATOM 739 OG SER A 51 13.836 0.411 3.279 1.00 0.00 O ATOM 0 H SER A 51 12.957 -0.715 1.316 1.00 0.00 H new ATOM 0 HA SER A 51 11.951 1.945 0.965 1.00 0.00 H new ATOM 0 HB2 SER A 51 12.878 2.233 3.270 1.00 0.00 H new ATOM 0 HB3 SER A 51 11.828 0.837 3.127 1.00 0.00 H new ATOM 0 HG SER A 51 13.793 0.345 4.256 1.00 0.00 H new ATOM 745 N SER A 52 14.960 1.462 0.146 1.00 0.00 N ATOM 746 CA SER A 52 16.136 2.107 -0.408 1.00 0.00 C ATOM 747 C SER A 52 15.817 2.672 -1.786 1.00 0.00 C ATOM 748 O SER A 52 16.606 3.413 -2.376 1.00 0.00 O ATOM 749 CB SER A 52 17.295 1.118 -0.477 1.00 0.00 C ATOM 750 OG SER A 52 17.600 0.603 0.812 1.00 0.00 O ATOM 0 H SER A 52 14.893 0.463 -0.048 1.00 0.00 H new ATOM 0 HA SER A 52 16.433 2.931 0.241 1.00 0.00 H new ATOM 0 HB2 SER A 52 17.040 0.299 -1.149 1.00 0.00 H new ATOM 0 HB3 SER A 52 18.174 1.610 -0.894 1.00 0.00 H new ATOM 0 HG SER A 52 17.336 -0.339 0.859 1.00 0.00 H new ATOM 756 N VAL A 53 14.642 2.329 -2.285 1.00 0.00 N ATOM 757 CA VAL A 53 14.183 2.806 -3.573 1.00 0.00 C ATOM 758 C VAL A 53 12.998 3.745 -3.395 1.00 0.00 C ATOM 759 O VAL A 53 13.094 4.939 -3.681 1.00 0.00 O ATOM 760 CB VAL A 53 13.791 1.631 -4.484 1.00 0.00 C ATOM 761 CG1 VAL A 53 13.300 2.132 -5.832 1.00 0.00 C ATOM 762 CG2 VAL A 53 14.973 0.689 -4.645 1.00 0.00 C ATOM 0 H VAL A 53 13.983 1.714 -1.808 1.00 0.00 H new ATOM 0 HA VAL A 53 15.001 3.350 -4.045 1.00 0.00 H new ATOM 0 HB VAL A 53 12.971 1.083 -4.021 1.00 0.00 H new ATOM 0 HG11 VAL A 53 13.029 1.283 -6.459 1.00 0.00 H new ATOM 0 HG12 VAL A 53 12.428 2.770 -5.687 1.00 0.00 H new ATOM 0 HG13 VAL A 53 14.091 2.704 -6.318 1.00 0.00 H new ATOM 0 HG21 VAL A 53 14.691 -0.142 -5.291 1.00 0.00 H new ATOM 0 HG22 VAL A 53 15.809 1.227 -5.091 1.00 0.00 H new ATOM 0 HG23 VAL A 53 15.268 0.305 -3.668 1.00 0.00 H new ATOM 772 N VAL A 54 11.897 3.214 -2.889 1.00 0.00 N ATOM 773 CA VAL A 54 10.713 4.017 -2.644 1.00 0.00 C ATOM 774 C VAL A 54 10.604 4.319 -1.149 1.00 0.00 C ATOM 775 O VAL A 54 11.051 3.522 -0.322 1.00 0.00 O ATOM 776 CB VAL A 54 9.431 3.303 -3.148 1.00 0.00 C ATOM 777 CG1 VAL A 54 9.097 2.088 -2.294 1.00 0.00 C ATOM 778 CG2 VAL A 54 8.255 4.262 -3.198 1.00 0.00 C ATOM 0 H VAL A 54 11.800 2.230 -2.640 1.00 0.00 H new ATOM 0 HA VAL A 54 10.807 4.951 -3.198 1.00 0.00 H new ATOM 0 HB VAL A 54 9.630 2.954 -4.161 1.00 0.00 H new ATOM 0 HG11 VAL A 54 8.194 1.612 -2.676 1.00 0.00 H new ATOM 0 HG12 VAL A 54 9.924 1.379 -2.331 1.00 0.00 H new ATOM 0 HG13 VAL A 54 8.934 2.402 -1.263 1.00 0.00 H new ATOM 0 HG21 VAL A 54 7.370 3.735 -3.555 1.00 0.00 H new ATOM 0 HG22 VAL A 54 8.064 4.656 -2.200 1.00 0.00 H new ATOM 0 HG23 VAL A 54 8.485 5.084 -3.875 1.00 0.00 H new ATOM 788 N THR A 55 10.047 5.466 -0.789 1.00 0.00 N ATOM 789 CA THR A 55 9.902 5.799 0.618 1.00 0.00 C ATOM 790 C THR A 55 8.542 5.345 1.128 1.00 0.00 C ATOM 791 O THR A 55 7.615 5.132 0.342 1.00 0.00 O ATOM 792 CB THR A 55 10.072 7.313 0.888 1.00 0.00 C ATOM 793 OG1 THR A 55 9.026 8.061 0.256 1.00 0.00 O ATOM 794 CG2 THR A 55 11.419 7.805 0.388 1.00 0.00 C ATOM 0 H THR A 55 9.694 6.169 -1.438 1.00 0.00 H new ATOM 0 HA THR A 55 10.696 5.275 1.150 1.00 0.00 H new ATOM 0 HB THR A 55 10.018 7.464 1.966 1.00 0.00 H new ATOM 0 HG1 THR A 55 9.232 8.171 -0.696 1.00 0.00 H new ATOM 0 HG21 THR A 55 11.514 8.872 0.589 1.00 0.00 H new ATOM 0 HG22 THR A 55 12.216 7.266 0.900 1.00 0.00 H new ATOM 0 HG23 THR A 55 11.495 7.630 -0.685 1.00 0.00 H new ATOM 802 N LEU A 56 8.427 5.183 2.439 1.00 0.00 N ATOM 803 CA LEU A 56 7.157 4.828 3.054 1.00 0.00 C ATOM 804 C LEU A 56 6.132 5.930 2.804 1.00 0.00 C ATOM 805 O LEU A 56 4.943 5.661 2.608 1.00 0.00 O ATOM 806 CB LEU A 56 7.335 4.608 4.559 1.00 0.00 C ATOM 807 CG LEU A 56 6.060 4.219 5.306 1.00 0.00 C ATOM 808 CD1 LEU A 56 5.490 2.923 4.751 1.00 0.00 C ATOM 809 CD2 LEU A 56 6.335 4.095 6.797 1.00 0.00 C ATOM 0 H LEU A 56 9.199 5.292 3.097 1.00 0.00 H new ATOM 0 HA LEU A 56 6.799 3.900 2.607 1.00 0.00 H new ATOM 0 HB2 LEU A 56 8.081 3.828 4.712 1.00 0.00 H new ATOM 0 HB3 LEU A 56 7.734 5.521 5.001 1.00 0.00 H new ATOM 0 HG LEU A 56 5.319 5.005 5.160 1.00 0.00 H new ATOM 0 HD11 LEU A 56 4.582 2.662 5.295 1.00 0.00 H new ATOM 0 HD12 LEU A 56 5.255 3.052 3.694 1.00 0.00 H new ATOM 0 HD13 LEU A 56 6.223 2.125 4.865 1.00 0.00 H new ATOM 0 HD21 LEU A 56 5.417 3.817 7.315 1.00 0.00 H new ATOM 0 HD22 LEU A 56 7.092 3.329 6.965 1.00 0.00 H new ATOM 0 HD23 LEU A 56 6.694 5.050 7.181 1.00 0.00 H new ATOM 821 N LYS A 57 6.610 7.170 2.790 1.00 0.00 N ATOM 822 CA LYS A 57 5.751 8.319 2.567 1.00 0.00 C ATOM 823 C LYS A 57 5.143 8.273 1.169 1.00 0.00 C ATOM 824 O LYS A 57 3.977 8.609 0.997 1.00 0.00 O ATOM 825 CB LYS A 57 6.530 9.618 2.765 1.00 0.00 C ATOM 826 CG LYS A 57 5.744 10.680 3.520 1.00 0.00 C ATOM 827 CD LYS A 57 4.563 11.207 2.717 1.00 0.00 C ATOM 828 CE LYS A 57 3.736 12.193 3.528 1.00 0.00 C ATOM 829 NZ LYS A 57 4.531 13.371 3.963 1.00 0.00 N ATOM 0 H LYS A 57 7.593 7.402 2.932 1.00 0.00 H new ATOM 0 HA LYS A 57 4.942 8.286 3.296 1.00 0.00 H new ATOM 0 HB2 LYS A 57 7.451 9.403 3.307 1.00 0.00 H new ATOM 0 HB3 LYS A 57 6.819 10.013 1.791 1.00 0.00 H new ATOM 0 HG2 LYS A 57 5.383 10.262 4.460 1.00 0.00 H new ATOM 0 HG3 LYS A 57 6.407 11.508 3.773 1.00 0.00 H new ATOM 0 HD2 LYS A 57 4.925 11.692 1.811 1.00 0.00 H new ATOM 0 HD3 LYS A 57 3.934 10.374 2.403 1.00 0.00 H new ATOM 0 HE2 LYS A 57 2.888 12.530 2.932 1.00 0.00 H new ATOM 0 HE3 LYS A 57 3.329 11.688 4.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 3.897 14.084 4.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 5.230 13.075 4.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 5.023 13.780 3.143 1.00 0.00 H new ATOM 843 N ASP A 58 5.929 7.847 0.176 1.00 0.00 N ATOM 844 CA ASP A 58 5.417 7.701 -1.191 1.00 0.00 C ATOM 845 C ASP A 58 4.197 6.799 -1.193 1.00 0.00 C ATOM 846 O ASP A 58 3.153 7.144 -1.746 1.00 0.00 O ATOM 847 CB ASP A 58 6.467 7.106 -2.137 1.00 0.00 C ATOM 848 CG ASP A 58 7.586 8.064 -2.482 1.00 0.00 C ATOM 849 OD1 ASP A 58 7.298 9.160 -3.005 1.00 0.00 O ATOM 850 OD2 ASP A 58 8.763 7.713 -2.253 1.00 0.00 O ATOM 0 H ASP A 58 6.912 7.599 0.290 1.00 0.00 H new ATOM 0 HA ASP A 58 5.158 8.699 -1.545 1.00 0.00 H new ATOM 0 HB2 ASP A 58 6.893 6.214 -1.678 1.00 0.00 H new ATOM 0 HB3 ASP A 58 5.976 6.788 -3.057 1.00 0.00 H new ATOM 855 N ILE A 59 4.344 5.649 -0.548 1.00 0.00 N ATOM 856 CA ILE A 59 3.270 4.675 -0.438 1.00 0.00 C ATOM 857 C ILE A 59 2.031 5.313 0.181 1.00 0.00 C ATOM 858 O ILE A 59 0.956 5.318 -0.418 1.00 0.00 O ATOM 859 CB ILE A 59 3.708 3.468 0.424 1.00 0.00 C ATOM 860 CG1 ILE A 59 5.011 2.867 -0.113 1.00 0.00 C ATOM 861 CG2 ILE A 59 2.614 2.410 0.469 1.00 0.00 C ATOM 862 CD1 ILE A 59 4.917 2.372 -1.540 1.00 0.00 C ATOM 0 H ILE A 59 5.210 5.367 -0.088 1.00 0.00 H new ATOM 0 HA ILE A 59 3.033 4.326 -1.443 1.00 0.00 H new ATOM 0 HB ILE A 59 3.883 3.823 1.440 1.00 0.00 H new ATOM 0 HG12 ILE A 59 5.799 3.618 -0.051 1.00 0.00 H new ATOM 0 HG13 ILE A 59 5.309 2.038 0.529 1.00 0.00 H new ATOM 0 HG21 ILE A 59 2.945 1.571 1.081 1.00 0.00 H new ATOM 0 HG22 ILE A 59 1.710 2.840 0.900 1.00 0.00 H new ATOM 0 HG23 ILE A 59 2.403 2.061 -0.542 1.00 0.00 H new ATOM 0 HD11 ILE A 59 5.879 1.961 -1.847 1.00 0.00 H new ATOM 0 HD12 ILE A 59 4.154 1.597 -1.607 1.00 0.00 H new ATOM 0 HD13 ILE A 59 4.651 3.201 -2.196 1.00 0.00 H new ATOM 874 N VAL A 60 2.205 5.879 1.369 1.00 0.00 N ATOM 875 CA VAL A 60 1.101 6.482 2.105 1.00 0.00 C ATOM 876 C VAL A 60 0.463 7.629 1.317 1.00 0.00 C ATOM 877 O VAL A 60 -0.761 7.693 1.176 1.00 0.00 O ATOM 878 CB VAL A 60 1.572 7.008 3.476 1.00 0.00 C ATOM 879 CG1 VAL A 60 0.419 7.645 4.235 1.00 0.00 C ATOM 880 CG2 VAL A 60 2.200 5.887 4.292 1.00 0.00 C ATOM 0 H VAL A 60 3.105 5.933 1.845 1.00 0.00 H new ATOM 0 HA VAL A 60 0.355 5.701 2.256 1.00 0.00 H new ATOM 0 HB VAL A 60 2.329 7.774 3.306 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.775 8.009 5.199 1.00 0.00 H new ATOM 0 HG12 VAL A 60 0.020 8.479 3.657 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -0.365 6.905 4.394 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.526 6.277 5.256 1.00 0.00 H new ATOM 0 HG22 VAL A 60 1.466 5.097 4.450 1.00 0.00 H new ATOM 0 HG23 VAL A 60 3.058 5.483 3.755 1.00 0.00 H new ATOM 890 N ALA A 61 1.300 8.517 0.791 1.00 0.00 N ATOM 891 CA ALA A 61 0.829 9.697 0.073 1.00 0.00 C ATOM 892 C ALA A 61 -0.043 9.320 -1.116 1.00 0.00 C ATOM 893 O ALA A 61 -1.145 9.838 -1.262 1.00 0.00 O ATOM 894 CB ALA A 61 2.003 10.552 -0.385 1.00 0.00 C ATOM 0 H ALA A 61 2.316 8.441 0.849 1.00 0.00 H new ATOM 0 HA ALA A 61 0.218 10.277 0.765 1.00 0.00 H new ATOM 0 HB1 ALA A 61 1.630 11.427 -0.918 1.00 0.00 H new ATOM 0 HB2 ALA A 61 2.579 10.874 0.483 1.00 0.00 H new ATOM 0 HB3 ALA A 61 2.642 9.968 -1.048 1.00 0.00 H new ATOM 900 N VAL A 62 0.441 8.408 -1.948 1.00 0.00 N ATOM 901 CA VAL A 62 -0.287 8.016 -3.150 1.00 0.00 C ATOM 902 C VAL A 62 -1.603 7.324 -2.799 1.00 0.00 C ATOM 903 O VAL A 62 -2.640 7.620 -3.392 1.00 0.00 O ATOM 904 CB VAL A 62 0.564 7.103 -4.060 1.00 0.00 C ATOM 905 CG1 VAL A 62 -0.228 6.668 -5.283 1.00 0.00 C ATOM 906 CG2 VAL A 62 1.837 7.817 -4.485 1.00 0.00 C ATOM 0 H VAL A 62 1.330 7.927 -1.815 1.00 0.00 H new ATOM 0 HA VAL A 62 -0.510 8.931 -3.698 1.00 0.00 H new ATOM 0 HB VAL A 62 0.833 6.213 -3.492 1.00 0.00 H new ATOM 0 HG11 VAL A 62 0.392 6.026 -5.909 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -1.115 6.119 -4.966 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -0.530 7.547 -5.852 1.00 0.00 H new ATOM 0 HG21 VAL A 62 2.426 7.161 -5.126 1.00 0.00 H new ATOM 0 HG22 VAL A 62 1.580 8.724 -5.033 1.00 0.00 H new ATOM 0 HG23 VAL A 62 2.419 8.079 -3.602 1.00 0.00 H new ATOM 916 N ILE A 63 -1.564 6.423 -1.821 1.00 0.00 N ATOM 917 CA ILE A 63 -2.767 5.718 -1.388 1.00 0.00 C ATOM 918 C ILE A 63 -3.833 6.697 -0.904 1.00 0.00 C ATOM 919 O ILE A 63 -4.982 6.656 -1.348 1.00 0.00 O ATOM 920 CB ILE A 63 -2.466 4.711 -0.258 1.00 0.00 C ATOM 921 CG1 ILE A 63 -1.533 3.606 -0.752 1.00 0.00 C ATOM 922 CG2 ILE A 63 -3.759 4.112 0.279 1.00 0.00 C ATOM 923 CD1 ILE A 63 -1.139 2.623 0.331 1.00 0.00 C ATOM 0 H ILE A 63 -0.717 6.165 -1.315 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.137 5.173 -2.257 1.00 0.00 H new ATOM 0 HB ILE A 63 -1.967 5.245 0.551 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -2.020 3.065 -1.564 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -0.632 4.059 -1.166 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -3.529 3.404 1.075 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -4.392 4.907 0.672 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -4.282 3.596 -0.526 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -0.477 1.866 -0.088 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -0.624 3.152 1.133 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -2.033 2.143 0.729 1.00 0.00 H new ATOM 935 N GLU A 64 -3.444 7.589 -0.008 1.00 0.00 N ATOM 936 CA GLU A 64 -4.387 8.527 0.583 1.00 0.00 C ATOM 937 C GLU A 64 -4.788 9.606 -0.416 1.00 0.00 C ATOM 938 O GLU A 64 -5.870 10.182 -0.313 1.00 0.00 O ATOM 939 CB GLU A 64 -3.810 9.143 1.856 1.00 0.00 C ATOM 940 CG GLU A 64 -3.414 8.101 2.887 1.00 0.00 C ATOM 941 CD GLU A 64 -3.233 8.678 4.274 1.00 0.00 C ATOM 942 OE1 GLU A 64 -2.507 9.685 4.416 1.00 0.00 O ATOM 943 OE2 GLU A 64 -3.828 8.135 5.225 1.00 0.00 O ATOM 0 H GLU A 64 -2.485 7.684 0.326 1.00 0.00 H new ATOM 0 HA GLU A 64 -5.288 7.976 0.852 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -2.937 9.744 1.600 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -4.545 9.819 2.293 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -4.177 7.323 2.920 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -2.485 7.624 2.574 1.00 0.00 H new ATOM 950 N ASP A 65 -3.919 9.862 -1.389 1.00 0.00 N ATOM 951 CA ASP A 65 -4.225 10.795 -2.475 1.00 0.00 C ATOM 952 C ASP A 65 -5.424 10.300 -3.276 1.00 0.00 C ATOM 953 O ASP A 65 -6.179 11.092 -3.844 1.00 0.00 O ATOM 954 CB ASP A 65 -3.011 10.956 -3.399 1.00 0.00 C ATOM 955 CG ASP A 65 -3.225 11.985 -4.494 1.00 0.00 C ATOM 956 OD1 ASP A 65 -3.100 13.196 -4.212 1.00 0.00 O ATOM 957 OD2 ASP A 65 -3.490 11.589 -5.649 1.00 0.00 O ATOM 0 H ASP A 65 -2.994 9.436 -1.450 1.00 0.00 H new ATOM 0 HA ASP A 65 -4.467 11.764 -2.039 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -2.145 11.244 -2.803 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -2.779 9.993 -3.854 1.00 0.00 H new ATOM 962 N GLN A 66 -5.602 8.983 -3.302 1.00 0.00 N ATOM 963 CA GLN A 66 -6.725 8.367 -4.000 1.00 0.00 C ATOM 964 C GLN A 66 -8.022 8.543 -3.213 1.00 0.00 C ATOM 965 O GLN A 66 -9.115 8.346 -3.746 1.00 0.00 O ATOM 966 CB GLN A 66 -6.463 6.877 -4.223 1.00 0.00 C ATOM 967 CG GLN A 66 -5.190 6.586 -4.999 1.00 0.00 C ATOM 968 CD GLN A 66 -5.155 7.276 -6.347 1.00 0.00 C ATOM 969 OE1 GLN A 66 -4.666 8.398 -6.468 1.00 0.00 O ATOM 970 NE2 GLN A 66 -5.670 6.615 -7.372 1.00 0.00 N ATOM 0 H GLN A 66 -4.978 8.318 -2.844 1.00 0.00 H new ATOM 0 HA GLN A 66 -6.830 8.864 -4.965 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -6.409 6.379 -3.255 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -7.309 6.445 -4.757 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -4.330 6.905 -4.410 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -5.096 5.510 -5.144 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -6.067 5.686 -7.232 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -5.670 7.035 -8.302 1.00 0.00 H new ATOM 979 N GLY A 67 -7.894 8.913 -1.945 1.00 0.00 N ATOM 980 CA GLY A 67 -9.059 9.108 -1.107 1.00 0.00 C ATOM 981 C GLY A 67 -9.195 8.044 -0.038 1.00 0.00 C ATOM 982 O GLY A 67 -10.306 7.702 0.365 1.00 0.00 O ATOM 0 H GLY A 67 -7.001 9.082 -1.482 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -9.001 10.088 -0.633 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -9.954 9.108 -1.730 1.00 0.00 H new ATOM 986 N TYR A 68 -8.071 7.513 0.422 1.00 0.00 N ATOM 987 CA TYR A 68 -8.083 6.523 1.492 1.00 0.00 C ATOM 988 C TYR A 68 -7.423 7.080 2.739 1.00 0.00 C ATOM 989 O TYR A 68 -6.671 8.052 2.671 1.00 0.00 O ATOM 990 CB TYR A 68 -7.365 5.240 1.062 1.00 0.00 C ATOM 991 CG TYR A 68 -8.004 4.563 -0.129 1.00 0.00 C ATOM 992 CD1 TYR A 68 -9.207 3.880 0.003 1.00 0.00 C ATOM 993 CD2 TYR A 68 -7.410 4.609 -1.385 1.00 0.00 C ATOM 994 CE1 TYR A 68 -9.800 3.265 -1.081 1.00 0.00 C ATOM 995 CE2 TYR A 68 -7.999 3.997 -2.475 1.00 0.00 C ATOM 996 CZ TYR A 68 -9.191 3.325 -2.316 1.00 0.00 C ATOM 997 OH TYR A 68 -9.782 2.717 -3.399 1.00 0.00 O ATOM 0 H TYR A 68 -7.142 7.749 0.073 1.00 0.00 H new ATOM 0 HA TYR A 68 -9.124 6.285 1.712 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -6.328 5.476 0.823 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -7.348 4.544 1.900 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -9.686 3.830 0.970 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -6.473 5.131 -1.511 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -10.736 2.740 -0.962 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -7.528 4.045 -3.446 1.00 0.00 H new ATOM 0 HH TYR A 68 -9.826 3.350 -4.146 1.00 0.00 H new ATOM 1007 N ASP A 69 -7.730 6.478 3.873 1.00 0.00 N ATOM 1008 CA ASP A 69 -7.050 6.790 5.120 1.00 0.00 C ATOM 1009 C ASP A 69 -6.319 5.548 5.595 1.00 0.00 C ATOM 1010 O ASP A 69 -6.950 4.561 5.980 1.00 0.00 O ATOM 1011 CB ASP A 69 -8.045 7.262 6.186 1.00 0.00 C ATOM 1012 CG ASP A 69 -7.370 7.613 7.501 1.00 0.00 C ATOM 1013 OD1 ASP A 69 -6.874 8.751 7.633 1.00 0.00 O ATOM 1014 OD2 ASP A 69 -7.336 6.755 8.411 1.00 0.00 O ATOM 0 H ASP A 69 -8.453 5.763 3.958 1.00 0.00 H new ATOM 0 HA ASP A 69 -6.341 7.600 4.951 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -8.584 8.134 5.814 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -8.785 6.480 6.359 1.00 0.00 H new ATOM 1019 N VAL A 70 -5.000 5.572 5.536 1.00 0.00 N ATOM 1020 CA VAL A 70 -4.220 4.392 5.867 1.00 0.00 C ATOM 1021 C VAL A 70 -3.182 4.682 6.939 1.00 0.00 C ATOM 1022 O VAL A 70 -2.389 5.619 6.829 1.00 0.00 O ATOM 1023 CB VAL A 70 -3.539 3.773 4.624 1.00 0.00 C ATOM 1024 CG1 VAL A 70 -4.580 3.147 3.711 1.00 0.00 C ATOM 1025 CG2 VAL A 70 -2.731 4.808 3.861 1.00 0.00 C ATOM 0 H VAL A 70 -4.450 6.387 5.265 1.00 0.00 H new ATOM 0 HA VAL A 70 -4.928 3.664 6.261 1.00 0.00 H new ATOM 0 HB VAL A 70 -2.854 2.999 4.970 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -4.087 2.715 2.840 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -5.114 2.365 4.251 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -5.286 3.911 3.387 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -2.266 4.339 2.994 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -3.389 5.612 3.530 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -1.957 5.217 4.511 1.00 0.00 H new