USER MOD reduce.3.24.130724 H: found=0, std=0, add=732, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 730 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 75 TYR OH : rot -169:sc= 0.422 USER MOD Set 1.2: A 94 SER OG : rot 67:sc= 0.387 USER MOD Set 2.1: A 19 LYS NZ :NH3+ -165:sc= 0.803 (180deg=-0.0384) USER MOD Set 2.2: A 67 TYR OH : rot 130:sc= 0.72 USER MOD Set 3.1: A 41 TYR OH : rot -16:sc= 1.01 USER MOD Set 3.2: A 53 HIS : no HD1:sc= 1.07 K(o=3.4,f=-3.2!) USER MOD Set 3.3: A 85 SER OG : rot -57:sc= 1.29 USER MOD Set 4.1: A 34 SER OG : rot -122:sc= 1.23 USER MOD Set 4.2: A 36 TYR OH : rot 180:sc= 0.81 USER MOD Single : A 1 THR N :NH3+ 143:sc= 0.0452 (180deg=0) USER MOD Single : A 1 THR OG1 : rot -107:sc= 1.06 USER MOD Single : A 7 THR OG1 : rot -46:sc= 0.0119 USER MOD Single : A 10 THR OG1 : rot -130:sc= 0.147 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 ASN : amide:sc= -0.351 X(o=-0.35,f=-0.83) USER MOD Single : A 43 SER OG : rot 51:sc= 0.406 USER MOD Single : A 45 SER OG : rot 81:sc= 1.02 USER MOD Single : A 46 SER OG : rot 180:sc= 0.0949 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -0.24 K(o=-0.24,f=-1.5!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot -60:sc= 0.986 USER MOD Single : A 74 ASN : amide:sc= -0.021 X(o=-0.021,f=-0.022) USER MOD Single : A 76 SER OG : rot -5:sc= 0.442 USER MOD Single : A 77 SER OG : rot 180:sc= -0.0139 USER MOD Single : A 81 ASN : amide:sc= 1.1 K(o=1.1,f=-0.71) USER MOD Single : A 84 GLN : amide:sc= 0.894 K(o=0.89,f=-0.044) USER MOD Single : A 86 GLN : amide:sc= 0.792 K(o=0.79,f=0) USER MOD Single : A 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 71:sc= 1.15 USER MOD Single : A 98 THR OG1 : rot 7:sc= 0.771 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 -16.924 -7.350 2.224 1.00 0.00 N ATOM 2 CA THR A 1 -15.962 -6.478 1.532 1.00 0.00 C ATOM 3 C THR A 1 -14.952 -7.358 0.809 1.00 0.00 C ATOM 4 O THR A 1 -14.516 -8.374 1.359 1.00 0.00 O ATOM 5 CB THR A 1 -15.325 -5.393 2.431 1.00 0.00 C ATOM 6 OG1 THR A 1 -14.636 -4.458 1.615 1.00 0.00 O ATOM 7 CG2 THR A 1 -14.347 -5.915 3.491 1.00 0.00 C ATOM 0 H1 THR A 1 -17.185 -6.924 3.136 1.00 0.00 H new ATOM 0 H2 THR A 1 -17.776 -7.461 1.638 1.00 0.00 H new ATOM 0 H3 THR A 1 -16.492 -8.282 2.388 1.00 0.00 H new ATOM 0 HA THR A 1 -16.500 -5.880 0.796 1.00 0.00 H new ATOM 0 HB THR A 1 -16.157 -4.945 2.975 1.00 0.00 H new ATOM 0 HG1 THR A 1 -13.670 -4.589 1.712 1.00 0.00 H new ATOM 0 HG21 THR A 1 -13.955 -5.078 4.069 1.00 0.00 H new ATOM 0 HG22 THR A 1 -14.866 -6.604 4.157 1.00 0.00 H new ATOM 0 HG23 THR A 1 -13.523 -6.435 3.002 1.00 0.00 H new ATOM 16 N ALA A 2 -14.611 -7.020 -0.434 1.00 0.00 N ATOM 17 CA ALA A 2 -14.173 -7.949 -1.459 1.00 0.00 C ATOM 18 C ALA A 2 -13.009 -7.230 -2.151 1.00 0.00 C ATOM 19 O ALA A 2 -13.209 -6.144 -2.692 1.00 0.00 O ATOM 20 CB ALA A 2 -15.312 -8.225 -2.448 1.00 0.00 C ATOM 0 H ALA A 2 -14.635 -6.054 -0.761 1.00 0.00 H new ATOM 0 HA ALA A 2 -13.876 -8.916 -1.053 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -14.970 -8.923 -3.212 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -16.160 -8.656 -1.916 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -15.617 -7.292 -2.921 1.00 0.00 H new ATOM 26 N PRO A 3 -11.791 -7.798 -2.065 1.00 0.00 N ATOM 27 CA PRO A 3 -10.574 -7.159 -2.541 1.00 0.00 C ATOM 28 C PRO A 3 -10.455 -6.946 -4.050 1.00 0.00 C ATOM 29 O PRO A 3 -11.249 -7.443 -4.854 1.00 0.00 O ATOM 30 CB PRO A 3 -9.426 -8.019 -1.992 1.00 0.00 C ATOM 31 CG PRO A 3 -10.053 -9.401 -1.833 1.00 0.00 C ATOM 32 CD PRO A 3 -11.488 -9.082 -1.453 1.00 0.00 C ATOM 0 HA PRO A 3 -10.560 -6.131 -2.179 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -8.579 -8.040 -2.677 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -9.057 -7.635 -1.041 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -9.998 -9.978 -2.756 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -9.551 -9.986 -1.062 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -12.167 -9.855 -1.812 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -11.603 -9.035 -0.370 1.00 0.00 H new ATOM 40 N ILE A 4 -9.386 -6.238 -4.421 1.00 0.00 N ATOM 41 CA ILE A 4 -8.984 -5.973 -5.787 1.00 0.00 C ATOM 42 C ILE A 4 -7.743 -6.833 -5.947 1.00 0.00 C ATOM 43 O ILE A 4 -6.748 -6.670 -5.245 1.00 0.00 O ATOM 44 CB ILE A 4 -8.653 -4.487 -6.079 1.00 0.00 C ATOM 45 CG1 ILE A 4 -9.754 -3.471 -5.700 1.00 0.00 C ATOM 46 CG2 ILE A 4 -8.392 -4.338 -7.589 1.00 0.00 C ATOM 47 CD1 ILE A 4 -9.756 -3.130 -4.212 1.00 0.00 C ATOM 0 H ILE A 4 -8.754 -5.818 -3.739 1.00 0.00 H new ATOM 0 HA ILE A 4 -9.792 -6.197 -6.483 1.00 0.00 H new ATOM 0 HB ILE A 4 -7.790 -4.254 -5.455 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -9.613 -2.557 -6.277 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -10.727 -3.876 -5.977 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -8.157 -3.298 -7.817 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -7.553 -4.971 -7.877 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -9.281 -4.639 -8.143 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -10.550 -2.412 -4.004 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -9.925 -4.037 -3.631 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -8.794 -2.697 -3.937 1.00 0.00 H new ATOM 59 N ALA A 5 -7.845 -7.785 -6.872 1.00 0.00 N ATOM 60 CA ALA A 5 -6.770 -8.703 -7.160 1.00 0.00 C ATOM 61 C ALA A 5 -5.869 -7.949 -8.124 1.00 0.00 C ATOM 62 O ALA A 5 -6.281 -7.617 -9.245 1.00 0.00 O ATOM 63 CB ALA A 5 -7.332 -9.972 -7.804 1.00 0.00 C ATOM 0 H ALA A 5 -8.680 -7.933 -7.438 1.00 0.00 H new ATOM 0 HA ALA A 5 -6.228 -9.019 -6.268 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -6.517 -10.662 -8.020 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -8.037 -10.445 -7.121 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -7.844 -9.714 -8.731 1.00 0.00 H new ATOM 69 N ILE A 6 -4.686 -7.595 -7.633 1.00 0.00 N ATOM 70 CA ILE A 6 -3.669 -6.845 -8.360 1.00 0.00 C ATOM 71 C ILE A 6 -2.590 -7.828 -8.839 1.00 0.00 C ATOM 72 O ILE A 6 -2.790 -9.038 -8.725 1.00 0.00 O ATOM 73 CB ILE A 6 -3.253 -5.604 -7.532 1.00 0.00 C ATOM 74 CG1 ILE A 6 -2.913 -5.792 -6.039 1.00 0.00 C ATOM 75 CG2 ILE A 6 -4.409 -4.595 -7.590 1.00 0.00 C ATOM 76 CD1 ILE A 6 -1.571 -6.474 -5.805 1.00 0.00 C ATOM 0 H ILE A 6 -4.399 -7.831 -6.683 1.00 0.00 H new ATOM 0 HA ILE A 6 -4.020 -6.391 -9.287 1.00 0.00 H new ATOM 0 HB ILE A 6 -2.316 -5.293 -7.994 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -2.907 -4.818 -5.550 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -3.699 -6.381 -5.566 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -4.146 -3.707 -7.015 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -4.595 -4.314 -8.627 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -5.308 -5.047 -7.170 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -1.396 -6.574 -4.734 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -1.580 -7.462 -6.265 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -0.776 -5.874 -6.248 1.00 0.00 H new ATOM 88 N THR A 7 -1.501 -7.367 -9.460 1.00 0.00 N ATOM 89 CA THR A 7 -0.514 -8.276 -10.056 1.00 0.00 C ATOM 90 C THR A 7 0.867 -8.176 -9.388 1.00 0.00 C ATOM 91 O THR A 7 1.864 -8.577 -9.975 1.00 0.00 O ATOM 92 CB THR A 7 -0.567 -8.094 -11.585 1.00 0.00 C ATOM 93 OG1 THR A 7 -0.051 -9.215 -12.261 1.00 0.00 O ATOM 94 CG2 THR A 7 0.156 -6.843 -12.089 1.00 0.00 C ATOM 0 H THR A 7 -1.280 -6.377 -9.564 1.00 0.00 H new ATOM 0 HA THR A 7 -0.763 -9.319 -9.859 1.00 0.00 H new ATOM 0 HB THR A 7 -1.628 -7.976 -11.807 1.00 0.00 H new ATOM 0 HG1 THR A 7 0.791 -9.491 -11.842 1.00 0.00 H new ATOM 0 HG21 THR A 7 0.073 -6.787 -13.174 1.00 0.00 H new ATOM 0 HG22 THR A 7 -0.297 -5.957 -11.644 1.00 0.00 H new ATOM 0 HG23 THR A 7 1.208 -6.893 -11.808 1.00 0.00 H new ATOM 102 N CYS A 8 0.948 -7.603 -8.179 1.00 0.00 N ATOM 103 CA CYS A 8 2.194 -7.357 -7.440 1.00 0.00 C ATOM 104 C CYS A 8 3.241 -6.521 -8.209 1.00 0.00 C ATOM 105 O CYS A 8 4.375 -6.394 -7.767 1.00 0.00 O ATOM 106 CB CYS A 8 2.775 -8.682 -6.913 1.00 0.00 C ATOM 107 SG CYS A 8 1.948 -9.514 -5.536 1.00 0.00 S ATOM 0 H CYS A 8 0.121 -7.288 -7.672 1.00 0.00 H new ATOM 0 HA CYS A 8 1.927 -6.729 -6.590 1.00 0.00 H new ATOM 0 HB2 CYS A 8 2.809 -9.382 -7.748 1.00 0.00 H new ATOM 0 HB3 CYS A 8 3.806 -8.493 -6.613 1.00 0.00 H new ATOM 112 N PHE A 9 2.857 -5.881 -9.311 1.00 0.00 N ATOM 113 CA PHE A 9 3.678 -4.939 -10.086 1.00 0.00 C ATOM 114 C PHE A 9 2.920 -3.591 -10.158 1.00 0.00 C ATOM 115 O PHE A 9 3.376 -2.594 -10.712 1.00 0.00 O ATOM 116 CB PHE A 9 3.980 -5.572 -11.456 1.00 0.00 C ATOM 117 CG PHE A 9 5.167 -4.973 -12.182 1.00 0.00 C ATOM 118 CD1 PHE A 9 6.457 -5.494 -11.969 1.00 0.00 C ATOM 119 CD2 PHE A 9 4.989 -3.903 -13.080 1.00 0.00 C ATOM 120 CE1 PHE A 9 7.565 -4.948 -12.636 1.00 0.00 C ATOM 121 CE2 PHE A 9 6.103 -3.352 -13.743 1.00 0.00 C ATOM 122 CZ PHE A 9 7.390 -3.873 -13.522 1.00 0.00 C ATOM 0 H PHE A 9 1.927 -6.006 -9.710 1.00 0.00 H new ATOM 0 HA PHE A 9 4.643 -4.734 -9.622 1.00 0.00 H new ATOM 0 HB2 PHE A 9 4.157 -6.639 -11.317 1.00 0.00 H new ATOM 0 HB3 PHE A 9 3.098 -5.475 -12.088 1.00 0.00 H new ATOM 0 HD1 PHE A 9 6.595 -6.320 -11.287 1.00 0.00 H new ATOM 0 HD2 PHE A 9 4.001 -3.506 -13.260 1.00 0.00 H new ATOM 0 HE1 PHE A 9 8.551 -5.355 -12.468 1.00 0.00 H new ATOM 0 HE2 PHE A 9 5.968 -2.525 -14.425 1.00 0.00 H new ATOM 0 HZ PHE A 9 8.241 -3.448 -14.032 1.00 0.00 H new ATOM 132 N THR A 10 1.702 -3.586 -9.614 1.00 0.00 N ATOM 133 CA THR A 10 0.786 -2.487 -9.410 1.00 0.00 C ATOM 134 C THR A 10 1.374 -1.504 -8.389 1.00 0.00 C ATOM 135 O THR A 10 1.868 -1.905 -7.328 1.00 0.00 O ATOM 136 CB THR A 10 -0.512 -3.134 -8.901 1.00 0.00 C ATOM 137 OG1 THR A 10 -0.824 -4.295 -9.660 1.00 0.00 O ATOM 138 CG2 THR A 10 -1.706 -2.191 -8.944 1.00 0.00 C ATOM 0 H THR A 10 1.298 -4.457 -9.270 1.00 0.00 H new ATOM 0 HA THR A 10 0.603 -1.913 -10.318 1.00 0.00 H new ATOM 0 HB THR A 10 -0.326 -3.395 -7.859 1.00 0.00 H new ATOM 0 HG1 THR A 10 -1.757 -4.252 -9.955 1.00 0.00 H new ATOM 0 HG21 THR A 10 -2.591 -2.707 -8.572 1.00 0.00 H new ATOM 0 HG22 THR A 10 -1.505 -1.320 -8.320 1.00 0.00 H new ATOM 0 HG23 THR A 10 -1.879 -1.869 -9.971 1.00 0.00 H new ATOM 146 N ARG A 11 1.279 -0.209 -8.679 1.00 0.00 N ATOM 147 CA ARG A 11 1.738 0.878 -7.828 1.00 0.00 C ATOM 148 C ARG A 11 0.546 1.567 -7.176 1.00 0.00 C ATOM 149 O ARG A 11 -0.600 1.370 -7.581 1.00 0.00 O ATOM 150 CB ARG A 11 2.597 1.800 -8.715 1.00 0.00 C ATOM 151 CG ARG A 11 3.912 1.086 -9.060 1.00 0.00 C ATOM 152 CD ARG A 11 4.938 2.018 -9.704 1.00 0.00 C ATOM 153 NE ARG A 11 4.868 1.954 -11.171 1.00 0.00 N ATOM 154 CZ ARG A 11 5.750 1.336 -11.977 1.00 0.00 C ATOM 155 NH1 ARG A 11 6.762 0.643 -11.468 1.00 0.00 N ATOM 156 NH2 ARG A 11 5.628 1.407 -13.294 1.00 0.00 N ATOM 0 H ARG A 11 0.863 0.122 -9.549 1.00 0.00 H new ATOM 0 HA ARG A 11 2.352 0.533 -6.996 1.00 0.00 H new ATOM 0 HB2 ARG A 11 2.057 2.054 -9.627 1.00 0.00 H new ATOM 0 HB3 ARG A 11 2.803 2.736 -8.196 1.00 0.00 H new ATOM 0 HG2 ARG A 11 4.336 0.657 -8.152 1.00 0.00 H new ATOM 0 HG3 ARG A 11 3.704 0.258 -9.737 1.00 0.00 H new ATOM 0 HD2 ARG A 11 4.761 3.041 -9.373 1.00 0.00 H new ATOM 0 HD3 ARG A 11 5.940 1.744 -9.373 1.00 0.00 H new ATOM 0 HE ARG A 11 4.079 2.421 -11.618 1.00 0.00 H new ATOM 0 HH11 ARG A 11 6.876 0.575 -10.457 1.00 0.00 H new ATOM 0 HH12 ARG A 11 7.425 0.178 -12.088 1.00 0.00 H new ATOM 0 HH21 ARG A 11 4.859 1.935 -13.707 1.00 0.00 H new ATOM 0 HH22 ARG A 11 6.303 0.934 -13.895 1.00 0.00 H new ATOM 170 N GLY A 12 0.793 2.425 -6.188 1.00 0.00 N ATOM 171 CA GLY A 12 -0.248 3.246 -5.571 1.00 0.00 C ATOM 172 C GLY A 12 -0.840 4.259 -6.562 1.00 0.00 C ATOM 173 O GLY A 12 -1.763 4.998 -6.218 1.00 0.00 O ATOM 0 H GLY A 12 1.722 2.571 -5.792 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -1.042 2.602 -5.192 1.00 0.00 H new ATOM 0 HA3 GLY A 12 0.168 3.776 -4.714 1.00 0.00 H new ATOM 177 N LEU A 13 -0.287 4.346 -7.772 1.00 0.00 N ATOM 178 CA LEU A 13 -0.781 5.139 -8.885 1.00 0.00 C ATOM 179 C LEU A 13 -2.044 4.479 -9.431 1.00 0.00 C ATOM 180 O LEU A 13 -2.943 5.178 -9.888 1.00 0.00 O ATOM 181 CB LEU A 13 0.280 5.184 -9.997 1.00 0.00 C ATOM 182 CG LEU A 13 1.596 5.861 -9.569 1.00 0.00 C ATOM 183 CD1 LEU A 13 2.733 5.374 -10.460 1.00 0.00 C ATOM 184 CD2 LEU A 13 1.518 7.391 -9.617 1.00 0.00 C ATOM 0 H LEU A 13 0.564 3.835 -8.009 1.00 0.00 H new ATOM 0 HA LEU A 13 -0.997 6.153 -8.548 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.495 4.167 -10.324 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -0.129 5.715 -10.856 1.00 0.00 H new ATOM 0 HG LEU A 13 1.781 5.583 -8.531 1.00 0.00 H new ATOM 0 HD11 LEU A 13 3.664 5.853 -10.157 1.00 0.00 H new ATOM 0 HD12 LEU A 13 2.833 4.293 -10.364 1.00 0.00 H new ATOM 0 HD13 LEU A 13 2.516 5.627 -11.498 1.00 0.00 H new ATOM 0 HD21 LEU A 13 2.473 7.814 -9.305 1.00 0.00 H new ATOM 0 HD22 LEU A 13 1.293 7.712 -10.634 1.00 0.00 H new ATOM 0 HD23 LEU A 13 0.732 7.736 -8.946 1.00 0.00 H new ATOM 196 N ASP A 14 -2.107 3.145 -9.403 1.00 0.00 N ATOM 197 CA ASP A 14 -3.213 2.368 -9.937 1.00 0.00 C ATOM 198 C ASP A 14 -4.414 2.551 -9.025 1.00 0.00 C ATOM 199 O ASP A 14 -5.448 3.069 -9.451 1.00 0.00 O ATOM 200 CB ASP A 14 -2.854 0.880 -10.023 1.00 0.00 C ATOM 201 CG ASP A 14 -1.801 0.589 -11.085 1.00 0.00 C ATOM 202 OD1 ASP A 14 -2.188 0.527 -12.274 1.00 0.00 O ATOM 203 OD2 ASP A 14 -0.606 0.453 -10.734 1.00 0.00 O ATOM 0 H ASP A 14 -1.370 2.568 -8.998 1.00 0.00 H new ATOM 0 HA ASP A 14 -3.439 2.717 -10.945 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -2.489 0.542 -9.053 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -3.754 0.306 -10.243 1.00 0.00 H new ATOM 208 N ILE A 15 -4.289 2.119 -7.763 1.00 0.00 N ATOM 209 CA ILE A 15 -5.393 2.135 -6.814 1.00 0.00 C ATOM 210 C ILE A 15 -5.346 3.461 -6.067 1.00 0.00 C ATOM 211 O ILE A 15 -4.688 3.628 -5.040 1.00 0.00 O ATOM 212 CB ILE A 15 -5.400 0.861 -5.934 1.00 0.00 C ATOM 213 CG1 ILE A 15 -5.639 -0.357 -6.862 1.00 0.00 C ATOM 214 CG2 ILE A 15 -6.499 0.920 -4.852 1.00 0.00 C ATOM 215 CD1 ILE A 15 -5.830 -1.701 -6.154 1.00 0.00 C ATOM 0 H ILE A 15 -3.419 1.751 -7.379 1.00 0.00 H new ATOM 0 HA ILE A 15 -6.360 2.089 -7.316 1.00 0.00 H new ATOM 0 HB ILE A 15 -4.444 0.778 -5.417 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -6.521 -0.159 -7.471 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -4.793 -0.443 -7.544 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -6.472 0.008 -4.255 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -6.328 1.781 -4.206 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -7.475 1.012 -5.329 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -5.990 -2.484 -6.896 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -4.941 -1.933 -5.568 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -6.696 -1.645 -5.494 1.00 0.00 H new ATOM 227 N ARG A 16 -6.113 4.405 -6.607 1.00 0.00 N ATOM 228 CA ARG A 16 -6.367 5.715 -6.034 1.00 0.00 C ATOM 229 C ARG A 16 -7.819 5.632 -5.588 1.00 0.00 C ATOM 230 O ARG A 16 -8.708 6.225 -6.200 1.00 0.00 O ATOM 231 CB ARG A 16 -6.081 6.809 -7.072 1.00 0.00 C ATOM 232 CG ARG A 16 -4.575 6.955 -7.351 1.00 0.00 C ATOM 233 CD ARG A 16 -4.306 7.671 -8.677 1.00 0.00 C ATOM 234 NE ARG A 16 -5.020 8.952 -8.786 1.00 0.00 N ATOM 235 CZ ARG A 16 -4.485 10.171 -8.856 1.00 0.00 C ATOM 236 NH1 ARG A 16 -3.177 10.350 -8.698 1.00 0.00 N ATOM 237 NH2 ARG A 16 -5.290 11.194 -9.096 1.00 0.00 N ATOM 0 H ARG A 16 -6.594 4.267 -7.496 1.00 0.00 H new ATOM 0 HA ARG A 16 -5.725 5.979 -5.193 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -6.601 6.573 -8.000 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -6.478 7.760 -6.716 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -4.107 7.510 -6.538 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -4.112 5.968 -7.371 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -3.235 7.847 -8.779 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -4.603 7.023 -9.502 1.00 0.00 H new ATOM 0 HE ARG A 16 -6.038 8.902 -8.811 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -2.570 9.549 -8.521 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -2.780 11.288 -8.754 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -6.290 11.037 -9.222 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -4.910 12.139 -9.155 1.00 0.00 H new ATOM 251 N LYS A 17 -8.066 4.774 -4.602 1.00 0.00 N ATOM 252 CA LYS A 17 -9.347 4.594 -3.930 1.00 0.00 C ATOM 253 C LYS A 17 -9.168 5.110 -2.511 1.00 0.00 C ATOM 254 O LYS A 17 -8.045 5.081 -2.005 1.00 0.00 O ATOM 255 CB LYS A 17 -9.717 3.100 -3.903 1.00 0.00 C ATOM 256 CG LYS A 17 -9.973 2.440 -5.272 1.00 0.00 C ATOM 257 CD LYS A 17 -11.333 2.808 -5.878 1.00 0.00 C ATOM 258 CE LYS A 17 -11.316 4.077 -6.732 1.00 0.00 C ATOM 259 NZ LYS A 17 -12.680 4.618 -6.846 1.00 0.00 N ATOM 0 H LYS A 17 -7.343 4.156 -4.233 1.00 0.00 H new ATOM 0 HA LYS A 17 -10.144 5.129 -4.446 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -8.914 2.557 -3.405 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -10.611 2.979 -3.291 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -9.183 2.735 -5.963 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -9.913 1.357 -5.162 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -11.683 1.976 -6.490 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -12.055 2.936 -5.071 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -10.656 4.820 -6.283 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -10.919 3.855 -7.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -12.664 5.480 -7.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -13.298 3.911 -7.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -13.043 4.846 -5.899 1.00 0.00 H new ATOM 273 N GLU A 18 -10.251 5.524 -1.845 1.00 0.00 N ATOM 274 CA GLU A 18 -10.120 6.139 -0.522 1.00 0.00 C ATOM 275 C GLU A 18 -9.495 5.161 0.487 1.00 0.00 C ATOM 276 O GLU A 18 -8.760 5.578 1.380 1.00 0.00 O ATOM 277 CB GLU A 18 -11.437 6.757 -0.044 1.00 0.00 C ATOM 278 CG GLU A 18 -11.161 7.794 1.059 1.00 0.00 C ATOM 279 CD GLU A 18 -12.365 8.668 1.407 1.00 0.00 C ATOM 280 OE1 GLU A 18 -13.515 8.335 1.043 1.00 0.00 O ATOM 281 OE2 GLU A 18 -12.182 9.685 2.109 1.00 0.00 O ATOM 0 H GLU A 18 -11.207 5.447 -2.191 1.00 0.00 H new ATOM 0 HA GLU A 18 -9.425 6.974 -0.605 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -11.951 7.231 -0.880 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -12.098 5.977 0.335 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -10.831 7.274 1.958 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -10.339 8.436 0.742 1.00 0.00 H new ATOM 288 N LYS A 19 -9.787 3.867 0.353 1.00 0.00 N ATOM 289 CA LYS A 19 -9.214 2.745 1.089 1.00 0.00 C ATOM 290 C LYS A 19 -9.621 1.504 0.309 1.00 0.00 C ATOM 291 O LYS A 19 -10.724 1.497 -0.252 1.00 0.00 O ATOM 292 CB LYS A 19 -9.592 2.720 2.580 1.00 0.00 C ATOM 293 CG LYS A 19 -11.036 2.364 2.957 1.00 0.00 C ATOM 294 CD LYS A 19 -11.221 0.873 3.286 1.00 0.00 C ATOM 295 CE LYS A 19 -12.505 0.620 4.085 1.00 0.00 C ATOM 296 NZ LYS A 19 -12.421 1.077 5.490 1.00 0.00 N ATOM 0 H LYS A 19 -10.483 3.555 -0.324 1.00 0.00 H new ATOM 0 HA LYS A 19 -8.128 2.821 1.146 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -8.933 2.009 3.078 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -9.372 3.703 2.995 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -11.339 2.961 3.818 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -11.698 2.634 2.134 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -11.250 0.298 2.361 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -10.363 0.518 3.856 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -13.336 1.127 3.594 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -12.729 -0.447 4.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -13.200 0.660 6.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -11.512 0.779 5.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -12.491 2.114 5.523 1.00 0.00 H new ATOM 310 N ALA A 20 -8.762 0.493 0.233 1.00 0.00 N ATOM 311 CA ALA A 20 -8.969 -0.686 -0.588 1.00 0.00 C ATOM 312 C ALA A 20 -8.357 -1.922 0.062 1.00 0.00 C ATOM 313 O ALA A 20 -7.256 -1.859 0.600 1.00 0.00 O ATOM 314 CB ALA A 20 -8.307 -0.440 -1.946 1.00 0.00 C ATOM 0 H ALA A 20 -7.885 0.474 0.753 1.00 0.00 H new ATOM 0 HA ALA A 20 -10.038 -0.864 -0.703 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -8.448 -1.313 -2.583 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -8.760 0.432 -2.419 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -7.241 -0.263 -1.804 1.00 0.00 H new ATOM 320 N ASP A 21 -9.038 -3.053 -0.071 1.00 0.00 N ATOM 321 CA ASP A 21 -8.577 -4.369 0.358 1.00 0.00 C ATOM 322 C ASP A 21 -7.935 -4.944 -0.905 1.00 0.00 C ATOM 323 O ASP A 21 -8.563 -4.913 -1.960 1.00 0.00 O ATOM 324 CB ASP A 21 -9.758 -5.268 0.793 1.00 0.00 C ATOM 325 CG ASP A 21 -10.691 -4.636 1.830 1.00 0.00 C ATOM 326 OD1 ASP A 21 -10.241 -4.361 2.964 1.00 0.00 O ATOM 327 OD2 ASP A 21 -11.868 -4.352 1.474 1.00 0.00 O ATOM 0 H ASP A 21 -9.964 -3.081 -0.498 1.00 0.00 H new ATOM 0 HA ASP A 21 -7.904 -4.313 1.214 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -10.342 -5.531 -0.089 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -9.360 -6.197 1.200 1.00 0.00 H new ATOM 332 N VAL A 22 -6.682 -5.401 -0.865 1.00 0.00 N ATOM 333 CA VAL A 22 -5.994 -5.868 -2.073 1.00 0.00 C ATOM 334 C VAL A 22 -5.276 -7.193 -1.807 1.00 0.00 C ATOM 335 O VAL A 22 -4.732 -7.404 -0.724 1.00 0.00 O ATOM 336 CB VAL A 22 -5.048 -4.773 -2.624 1.00 0.00 C ATOM 337 CG1 VAL A 22 -5.756 -3.429 -2.865 1.00 0.00 C ATOM 338 CG2 VAL A 22 -3.840 -4.488 -1.713 1.00 0.00 C ATOM 0 H VAL A 22 -6.124 -5.458 -0.013 1.00 0.00 H new ATOM 0 HA VAL A 22 -6.734 -6.061 -2.850 1.00 0.00 H new ATOM 0 HB VAL A 22 -4.705 -5.193 -3.569 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -5.039 -2.704 -3.251 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -6.559 -3.566 -3.589 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -6.172 -3.063 -1.926 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -3.221 -3.711 -2.162 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -4.191 -4.154 -0.737 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.251 -5.397 -1.595 1.00 0.00 H new ATOM 348 N LEU A 23 -5.243 -8.084 -2.798 1.00 0.00 N ATOM 349 CA LEU A 23 -4.491 -9.340 -2.758 1.00 0.00 C ATOM 350 C LEU A 23 -3.354 -9.243 -3.744 1.00 0.00 C ATOM 351 O LEU A 23 -3.556 -8.821 -4.886 1.00 0.00 O ATOM 352 CB LEU A 23 -5.344 -10.586 -3.058 1.00 0.00 C ATOM 353 CG LEU A 23 -6.188 -11.171 -1.906 1.00 0.00 C ATOM 354 CD1 LEU A 23 -5.371 -12.267 -1.203 1.00 0.00 C ATOM 355 CD2 LEU A 23 -6.665 -10.155 -0.862 1.00 0.00 C ATOM 0 H LEU A 23 -5.751 -7.950 -3.673 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.126 -9.471 -1.739 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.019 -10.341 -3.878 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.678 -11.370 -3.418 1.00 0.00 H new ATOM 0 HG LEU A 23 -7.095 -11.560 -2.369 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -5.956 -12.689 -0.386 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -5.126 -13.053 -1.918 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -4.451 -11.837 -0.806 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -7.249 -10.667 -0.097 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -5.802 -9.675 -0.400 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -7.284 -9.400 -1.346 1.00 0.00 H new ATOM 367 N CYS A 24 -2.174 -9.657 -3.292 1.00 0.00 N ATOM 368 CA CYS A 24 -0.943 -9.609 -4.044 1.00 0.00 C ATOM 369 C CYS A 24 -0.558 -11.069 -4.364 1.00 0.00 C ATOM 370 O CYS A 24 0.128 -11.698 -3.550 1.00 0.00 O ATOM 371 CB CYS A 24 0.097 -8.837 -3.208 1.00 0.00 C ATOM 372 SG CYS A 24 1.477 -8.126 -4.134 1.00 0.00 S ATOM 0 H CYS A 24 -2.054 -10.048 -2.357 1.00 0.00 H new ATOM 0 HA CYS A 24 -1.022 -9.079 -4.993 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -0.414 -8.033 -2.679 1.00 0.00 H new ATOM 0 HB3 CYS A 24 0.500 -9.510 -2.451 1.00 0.00 H new ATOM 377 N PRO A 25 -1.037 -11.644 -5.485 1.00 0.00 N ATOM 378 CA PRO A 25 -0.658 -12.979 -5.937 1.00 0.00 C ATOM 379 C PRO A 25 0.752 -12.982 -6.523 1.00 0.00 C ATOM 380 O PRO A 25 1.213 -11.986 -7.082 1.00 0.00 O ATOM 381 CB PRO A 25 -1.665 -13.343 -7.028 1.00 0.00 C ATOM 382 CG PRO A 25 -1.995 -11.982 -7.637 1.00 0.00 C ATOM 383 CD PRO A 25 -1.975 -11.054 -6.427 1.00 0.00 C ATOM 0 HA PRO A 25 -0.663 -13.688 -5.109 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -1.238 -14.025 -7.764 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -2.550 -13.830 -6.618 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -1.260 -11.686 -8.386 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -2.968 -11.984 -8.128 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -1.663 -10.049 -6.711 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -2.968 -10.966 -5.986 1.00 0.00 H new ATOM 391 N GLY A 26 1.395 -14.144 -6.497 1.00 0.00 N ATOM 392 CA GLY A 26 2.787 -14.285 -6.894 1.00 0.00 C ATOM 393 C GLY A 26 3.700 -14.033 -5.696 1.00 0.00 C ATOM 394 O GLY A 26 3.224 -13.777 -4.587 1.00 0.00 O ATOM 0 H GLY A 26 0.961 -15.018 -6.198 1.00 0.00 H new ATOM 0 HA2 GLY A 26 2.961 -15.285 -7.290 1.00 0.00 H new ATOM 0 HA3 GLY A 26 3.019 -13.581 -7.693 1.00 0.00 H new ATOM 398 N GLY A 27 5.014 -14.123 -5.891 1.00 0.00 N ATOM 399 CA GLY A 27 5.975 -14.040 -4.792 1.00 0.00 C ATOM 400 C GLY A 27 6.488 -12.638 -4.467 1.00 0.00 C ATOM 401 O GLY A 27 7.153 -12.483 -3.439 1.00 0.00 O ATOM 0 H GLY A 27 5.441 -14.255 -6.808 1.00 0.00 H new ATOM 0 HA2 GLY A 27 5.512 -14.455 -3.896 1.00 0.00 H new ATOM 0 HA3 GLY A 27 6.829 -14.673 -5.032 1.00 0.00 H new ATOM 405 N CYS A 28 6.210 -11.653 -5.320 1.00 0.00 N ATOM 406 CA CYS A 28 6.684 -10.270 -5.317 1.00 0.00 C ATOM 407 C CYS A 28 8.101 -10.147 -4.710 1.00 0.00 C ATOM 408 O CYS A 28 8.250 -9.611 -3.609 1.00 0.00 O ATOM 409 CB CYS A 28 5.647 -9.338 -4.667 1.00 0.00 C ATOM 410 SG CYS A 28 5.869 -7.610 -5.186 1.00 0.00 S ATOM 0 H CYS A 28 5.585 -11.821 -6.109 1.00 0.00 H new ATOM 0 HA CYS A 28 6.788 -9.939 -6.350 1.00 0.00 H new ATOM 0 HB2 CYS A 28 4.643 -9.671 -4.932 1.00 0.00 H new ATOM 0 HB3 CYS A 28 5.729 -9.405 -3.582 1.00 0.00 H new ATOM 415 N PRO A 29 9.138 -10.668 -5.393 1.00 0.00 N ATOM 416 CA PRO A 29 10.526 -10.528 -4.964 1.00 0.00 C ATOM 417 C PRO A 29 10.975 -9.076 -5.113 1.00 0.00 C ATOM 418 O PRO A 29 10.247 -8.279 -5.694 1.00 0.00 O ATOM 419 CB PRO A 29 11.321 -11.456 -5.884 1.00 0.00 C ATOM 420 CG PRO A 29 10.500 -11.507 -7.176 1.00 0.00 C ATOM 421 CD PRO A 29 9.066 -11.230 -6.731 1.00 0.00 C ATOM 0 HA PRO A 29 10.671 -10.790 -3.916 1.00 0.00 H new ATOM 0 HB2 PRO A 29 12.324 -11.071 -6.066 1.00 0.00 H new ATOM 0 HB3 PRO A 29 11.435 -12.448 -5.446 1.00 0.00 H new ATOM 0 HG2 PRO A 29 10.843 -10.762 -7.894 1.00 0.00 H new ATOM 0 HG3 PRO A 29 10.584 -12.479 -7.661 1.00 0.00 H new ATOM 0 HD2 PRO A 29 8.577 -10.536 -7.415 1.00 0.00 H new ATOM 0 HD3 PRO A 29 8.477 -12.147 -6.733 1.00 0.00 H new ATOM 429 N LEU A 30 12.169 -8.719 -4.632 1.00 0.00 N ATOM 430 CA LEU A 30 12.738 -7.378 -4.788 1.00 0.00 C ATOM 431 C LEU A 30 13.206 -7.176 -6.239 1.00 0.00 C ATOM 432 O LEU A 30 14.395 -7.052 -6.514 1.00 0.00 O ATOM 433 CB LEU A 30 13.883 -7.127 -3.786 1.00 0.00 C ATOM 434 CG LEU A 30 13.497 -7.216 -2.296 1.00 0.00 C ATOM 435 CD1 LEU A 30 14.758 -7.080 -1.434 1.00 0.00 C ATOM 436 CD2 LEU A 30 12.489 -6.138 -1.878 1.00 0.00 C ATOM 0 H LEU A 30 12.774 -9.360 -4.118 1.00 0.00 H new ATOM 0 HA LEU A 30 11.962 -6.645 -4.567 1.00 0.00 H new ATOM 0 HB2 LEU A 30 14.677 -7.848 -3.981 1.00 0.00 H new ATOM 0 HB3 LEU A 30 14.298 -6.137 -3.977 1.00 0.00 H new ATOM 0 HG LEU A 30 13.023 -8.186 -2.145 1.00 0.00 H new ATOM 0 HD11 LEU A 30 14.487 -7.143 -0.380 1.00 0.00 H new ATOM 0 HD12 LEU A 30 15.454 -7.883 -1.678 1.00 0.00 H new ATOM 0 HD13 LEU A 30 15.231 -6.118 -1.630 1.00 0.00 H new ATOM 0 HD21 LEU A 30 12.255 -6.250 -0.819 1.00 0.00 H new ATOM 0 HD22 LEU A 30 12.918 -5.151 -2.052 1.00 0.00 H new ATOM 0 HD23 LEU A 30 11.577 -6.246 -2.465 1.00 0.00 H new ATOM 448 N GLU A 31 12.257 -7.201 -7.171 1.00 0.00 N ATOM 449 CA GLU A 31 12.414 -6.925 -8.591 1.00 0.00 C ATOM 450 C GLU A 31 12.365 -5.409 -8.800 1.00 0.00 C ATOM 451 O GLU A 31 13.366 -4.810 -9.180 1.00 0.00 O ATOM 452 CB GLU A 31 11.304 -7.681 -9.341 1.00 0.00 C ATOM 453 CG GLU A 31 11.373 -7.508 -10.861 1.00 0.00 C ATOM 454 CD GLU A 31 10.372 -8.440 -11.546 1.00 0.00 C ATOM 455 OE1 GLU A 31 9.174 -8.084 -11.670 1.00 0.00 O ATOM 456 OE2 GLU A 31 10.757 -9.565 -11.935 1.00 0.00 O ATOM 0 H GLU A 31 11.292 -7.431 -6.934 1.00 0.00 H new ATOM 0 HA GLU A 31 13.372 -7.268 -8.982 1.00 0.00 H new ATOM 0 HB2 GLU A 31 11.370 -8.742 -9.100 1.00 0.00 H new ATOM 0 HB3 GLU A 31 10.334 -7.333 -8.986 1.00 0.00 H new ATOM 0 HG2 GLU A 31 11.157 -6.473 -11.126 1.00 0.00 H new ATOM 0 HG3 GLU A 31 12.382 -7.724 -11.213 1.00 0.00 H new ATOM 463 N GLU A 32 11.229 -4.776 -8.499 1.00 0.00 N ATOM 464 CA GLU A 32 11.086 -3.333 -8.524 1.00 0.00 C ATOM 465 C GLU A 32 10.455 -2.878 -7.205 1.00 0.00 C ATOM 466 O GLU A 32 9.226 -2.852 -7.114 1.00 0.00 O ATOM 467 CB GLU A 32 10.168 -2.833 -9.660 1.00 0.00 C ATOM 468 CG GLU A 32 10.678 -2.691 -11.100 1.00 0.00 C ATOM 469 CD GLU A 32 9.705 -1.836 -11.955 1.00 0.00 C ATOM 470 OE1 GLU A 32 8.691 -1.307 -11.418 1.00 0.00 O ATOM 471 OE2 GLU A 32 9.950 -1.670 -13.166 1.00 0.00 O ATOM 0 H GLU A 32 10.376 -5.265 -8.228 1.00 0.00 H new ATOM 0 HA GLU A 32 12.083 -2.922 -8.681 1.00 0.00 H new ATOM 0 HB2 GLU A 32 9.310 -3.505 -9.693 1.00 0.00 H new ATOM 0 HB3 GLU A 32 9.795 -1.854 -9.358 1.00 0.00 H new ATOM 0 HG2 GLU A 32 11.665 -2.229 -11.096 1.00 0.00 H new ATOM 0 HG3 GLU A 32 10.790 -3.678 -11.549 1.00 0.00 H new ATOM 478 N PHE A 33 11.219 -2.580 -6.151 1.00 0.00 N ATOM 479 CA PHE A 33 10.604 -2.007 -4.965 1.00 0.00 C ATOM 480 C PHE A 33 11.259 -0.635 -4.880 1.00 0.00 C ATOM 481 O PHE A 33 12.456 -0.524 -4.612 1.00 0.00 O ATOM 482 CB PHE A 33 10.843 -2.862 -3.714 1.00 0.00 C ATOM 483 CG PHE A 33 9.924 -4.058 -3.536 1.00 0.00 C ATOM 484 CD1 PHE A 33 9.686 -4.983 -4.566 1.00 0.00 C ATOM 485 CD2 PHE A 33 9.279 -4.249 -2.300 1.00 0.00 C ATOM 486 CE1 PHE A 33 8.809 -6.060 -4.361 1.00 0.00 C ATOM 487 CE2 PHE A 33 8.450 -5.356 -2.074 1.00 0.00 C ATOM 488 CZ PHE A 33 8.224 -6.275 -3.105 1.00 0.00 C ATOM 0 H PHE A 33 12.228 -2.721 -6.098 1.00 0.00 H new ATOM 0 HA PHE A 33 9.517 -1.953 -5.025 1.00 0.00 H new ATOM 0 HB2 PHE A 33 11.872 -3.220 -3.735 1.00 0.00 H new ATOM 0 HB3 PHE A 33 10.746 -2.222 -2.837 1.00 0.00 H new ATOM 0 HD1 PHE A 33 10.180 -4.865 -5.519 1.00 0.00 H new ATOM 0 HD2 PHE A 33 9.426 -3.528 -1.510 1.00 0.00 H new ATOM 0 HE1 PHE A 33 8.583 -6.729 -5.178 1.00 0.00 H new ATOM 0 HE2 PHE A 33 7.988 -5.499 -1.109 1.00 0.00 H new ATOM 0 HZ PHE A 33 7.604 -7.143 -2.935 1.00 0.00 H new ATOM 498 N SER A 34 10.467 0.403 -5.103 1.00 0.00 N ATOM 499 CA SER A 34 10.841 1.785 -4.955 1.00 0.00 C ATOM 500 C SER A 34 9.791 2.355 -4.019 1.00 0.00 C ATOM 501 O SER A 34 8.594 2.272 -4.311 1.00 0.00 O ATOM 502 CB SER A 34 10.907 2.419 -6.350 1.00 0.00 C ATOM 503 OG SER A 34 11.707 3.579 -6.359 1.00 0.00 O ATOM 0 H SER A 34 9.500 0.289 -5.407 1.00 0.00 H new ATOM 0 HA SER A 34 11.826 1.971 -4.526 1.00 0.00 H new ATOM 0 HB2 SER A 34 11.308 1.695 -7.060 1.00 0.00 H new ATOM 0 HB3 SER A 34 9.900 2.669 -6.684 1.00 0.00 H new ATOM 0 HG SER A 34 11.175 4.341 -6.672 1.00 0.00 H new ATOM 509 N VAL A 35 10.191 2.901 -2.879 1.00 0.00 N ATOM 510 CA VAL A 35 9.249 3.422 -1.906 1.00 0.00 C ATOM 511 C VAL A 35 9.596 4.884 -1.686 1.00 0.00 C ATOM 512 O VAL A 35 10.742 5.307 -1.866 1.00 0.00 O ATOM 513 CB VAL A 35 9.241 2.511 -0.666 1.00 0.00 C ATOM 514 CG1 VAL A 35 8.232 2.961 0.389 1.00 0.00 C ATOM 515 CG2 VAL A 35 8.795 1.101 -1.074 1.00 0.00 C ATOM 0 H VAL A 35 11.170 2.994 -2.607 1.00 0.00 H new ATOM 0 HA VAL A 35 8.211 3.408 -2.239 1.00 0.00 H new ATOM 0 HB VAL A 35 10.251 2.546 -0.259 1.00 0.00 H new ATOM 0 HG11 VAL A 35 8.269 2.282 1.241 1.00 0.00 H new ATOM 0 HG12 VAL A 35 8.476 3.971 0.718 1.00 0.00 H new ATOM 0 HG13 VAL A 35 7.229 2.951 -0.039 1.00 0.00 H new ATOM 0 HG21 VAL A 35 8.788 0.453 -0.197 1.00 0.00 H new ATOM 0 HG22 VAL A 35 7.793 1.145 -1.500 1.00 0.00 H new ATOM 0 HG23 VAL A 35 9.487 0.701 -1.815 1.00 0.00 H new ATOM 525 N TYR A 36 8.592 5.672 -1.322 1.00 0.00 N ATOM 526 CA TYR A 36 8.734 7.100 -1.210 1.00 0.00 C ATOM 527 C TYR A 36 7.980 7.563 0.032 1.00 0.00 C ATOM 528 O TYR A 36 6.751 7.639 0.011 1.00 0.00 O ATOM 529 CB TYR A 36 8.256 7.764 -2.501 1.00 0.00 C ATOM 530 CG TYR A 36 8.889 7.304 -3.803 1.00 0.00 C ATOM 531 CD1 TYR A 36 8.510 6.078 -4.386 1.00 0.00 C ATOM 532 CD2 TYR A 36 9.833 8.120 -4.455 1.00 0.00 C ATOM 533 CE1 TYR A 36 9.117 5.635 -5.570 1.00 0.00 C ATOM 534 CE2 TYR A 36 10.426 7.695 -5.657 1.00 0.00 C ATOM 535 CZ TYR A 36 10.087 6.439 -6.204 1.00 0.00 C ATOM 536 OH TYR A 36 10.714 5.993 -7.323 1.00 0.00 O ATOM 0 H TYR A 36 7.658 5.328 -1.098 1.00 0.00 H new ATOM 0 HA TYR A 36 9.777 7.392 -1.086 1.00 0.00 H new ATOM 0 HB2 TYR A 36 7.179 7.612 -2.579 1.00 0.00 H new ATOM 0 HB3 TYR A 36 8.421 8.837 -2.408 1.00 0.00 H new ATOM 0 HD1 TYR A 36 7.746 5.475 -3.917 1.00 0.00 H new ATOM 0 HD2 TYR A 36 10.103 9.076 -4.030 1.00 0.00 H new ATOM 0 HE1 TYR A 36 8.843 4.681 -5.995 1.00 0.00 H new ATOM 0 HE2 TYR A 36 11.140 8.329 -6.161 1.00 0.00 H new ATOM 0 HH TYR A 36 11.352 6.670 -7.632 1.00 0.00 H new ATOM 546 N GLY A 37 8.730 7.822 1.106 1.00 0.00 N ATOM 547 CA GLY A 37 8.246 8.158 2.432 1.00 0.00 C ATOM 548 C GLY A 37 7.900 6.880 3.188 1.00 0.00 C ATOM 549 O GLY A 37 7.540 5.878 2.572 1.00 0.00 O ATOM 0 H GLY A 37 9.749 7.799 1.063 1.00 0.00 H new ATOM 0 HA2 GLY A 37 9.005 8.720 2.976 1.00 0.00 H new ATOM 0 HA3 GLY A 37 7.367 8.798 2.358 1.00 0.00 H new ATOM 553 N ASN A 38 8.103 6.862 4.511 1.00 0.00 N ATOM 554 CA ASN A 38 7.674 5.746 5.356 1.00 0.00 C ATOM 555 C ASN A 38 6.324 6.158 5.934 1.00 0.00 C ATOM 556 O ASN A 38 6.122 7.348 6.195 1.00 0.00 O ATOM 557 CB ASN A 38 8.674 5.410 6.471 1.00 0.00 C ATOM 558 CG ASN A 38 8.560 6.318 7.689 1.00 0.00 C ATOM 559 OD1 ASN A 38 8.742 7.524 7.586 1.00 0.00 O ATOM 560 ND2 ASN A 38 8.269 5.773 8.858 1.00 0.00 N ATOM 0 H ASN A 38 8.566 7.615 5.020 1.00 0.00 H new ATOM 0 HA ASN A 38 7.607 4.834 4.764 1.00 0.00 H new ATOM 0 HB2 ASN A 38 8.523 4.377 6.784 1.00 0.00 H new ATOM 0 HB3 ASN A 38 9.686 5.477 6.072 1.00 0.00 H new ATOM 0 HD21 ASN A 38 8.194 6.359 9.689 1.00 0.00 H new ATOM 0 HD22 ASN A 38 8.120 4.766 8.928 1.00 0.00 H new ATOM 567 N ILE A 39 5.439 5.194 6.203 1.00 0.00 N ATOM 568 CA ILE A 39 4.052 5.391 6.638 1.00 0.00 C ATOM 569 C ILE A 39 3.261 6.143 5.563 1.00 0.00 C ATOM 570 O ILE A 39 2.298 5.580 5.048 1.00 0.00 O ATOM 571 CB ILE A 39 3.967 5.960 8.077 1.00 0.00 C ATOM 572 CG1 ILE A 39 4.330 4.868 9.109 1.00 0.00 C ATOM 573 CG2 ILE A 39 2.589 6.559 8.406 1.00 0.00 C ATOM 574 CD1 ILE A 39 3.212 3.842 9.349 1.00 0.00 C ATOM 0 H ILE A 39 5.681 4.207 6.119 1.00 0.00 H new ATOM 0 HA ILE A 39 3.553 4.426 6.731 1.00 0.00 H new ATOM 0 HB ILE A 39 4.689 6.775 8.133 1.00 0.00 H new ATOM 0 HG12 ILE A 39 5.224 4.344 8.770 1.00 0.00 H new ATOM 0 HG13 ILE A 39 4.581 5.346 10.056 1.00 0.00 H new ATOM 0 HG21 ILE A 39 2.593 6.941 9.427 1.00 0.00 H new ATOM 0 HG22 ILE A 39 2.372 7.373 7.715 1.00 0.00 H new ATOM 0 HG23 ILE A 39 1.825 5.788 8.310 1.00 0.00 H new ATOM 0 HD11 ILE A 39 3.543 3.109 10.085 1.00 0.00 H new ATOM 0 HD12 ILE A 39 2.323 4.353 9.719 1.00 0.00 H new ATOM 0 HD13 ILE A 39 2.976 3.335 8.413 1.00 0.00 H new ATOM 586 N VAL A 40 3.598 7.397 5.273 1.00 0.00 N ATOM 587 CA VAL A 40 3.046 8.188 4.193 1.00 0.00 C ATOM 588 C VAL A 40 3.834 7.703 2.981 1.00 0.00 C ATOM 589 O VAL A 40 4.951 8.161 2.739 1.00 0.00 O ATOM 590 CB VAL A 40 3.236 9.696 4.455 1.00 0.00 C ATOM 591 CG1 VAL A 40 2.909 10.546 3.216 1.00 0.00 C ATOM 592 CG2 VAL A 40 2.324 10.138 5.604 1.00 0.00 C ATOM 0 H VAL A 40 4.297 7.907 5.814 1.00 0.00 H new ATOM 0 HA VAL A 40 1.970 8.069 4.066 1.00 0.00 H new ATOM 0 HB VAL A 40 4.285 9.850 4.709 1.00 0.00 H new ATOM 0 HG11 VAL A 40 3.057 11.600 3.449 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.566 10.260 2.395 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.872 10.381 2.925 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.460 11.204 5.787 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.285 9.945 5.338 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.578 9.580 6.505 1.00 0.00 H new ATOM 602 N TYR A 41 3.270 6.738 2.271 1.00 0.00 N ATOM 603 CA TYR A 41 3.786 6.220 1.027 1.00 0.00 C ATOM 604 C TYR A 41 3.177 7.076 -0.074 1.00 0.00 C ATOM 605 O TYR A 41 1.953 7.122 -0.211 1.00 0.00 O ATOM 606 CB TYR A 41 3.408 4.735 0.922 1.00 0.00 C ATOM 607 CG TYR A 41 4.077 3.915 2.011 1.00 0.00 C ATOM 608 CD1 TYR A 41 5.473 3.807 2.003 1.00 0.00 C ATOM 609 CD2 TYR A 41 3.351 3.373 3.088 1.00 0.00 C ATOM 610 CE1 TYR A 41 6.155 3.181 3.056 1.00 0.00 C ATOM 611 CE2 TYR A 41 4.026 2.757 4.162 1.00 0.00 C ATOM 612 CZ TYR A 41 5.439 2.665 4.150 1.00 0.00 C ATOM 613 OH TYR A 41 6.122 2.190 5.229 1.00 0.00 O ATOM 0 H TYR A 41 2.406 6.281 2.563 1.00 0.00 H new ATOM 0 HA TYR A 41 4.872 6.269 0.951 1.00 0.00 H new ATOM 0 HB2 TYR A 41 2.326 4.627 0.996 1.00 0.00 H new ATOM 0 HB3 TYR A 41 3.700 4.352 -0.056 1.00 0.00 H new ATOM 0 HD1 TYR A 41 6.033 4.212 1.173 1.00 0.00 H new ATOM 0 HD2 TYR A 41 2.272 3.429 3.092 1.00 0.00 H new ATOM 0 HE1 TYR A 41 7.231 3.095 3.027 1.00 0.00 H new ATOM 0 HE2 TYR A 41 3.466 2.356 4.993 1.00 0.00 H new ATOM 0 HH TYR A 41 7.060 2.043 4.984 1.00 0.00 H new ATOM 623 N ALA A 42 3.985 7.826 -0.824 1.00 0.00 N ATOM 624 CA ALA A 42 3.452 8.553 -1.969 1.00 0.00 C ATOM 625 C ALA A 42 2.958 7.547 -3.011 1.00 0.00 C ATOM 626 O ALA A 42 3.481 6.432 -3.100 1.00 0.00 O ATOM 627 CB ALA A 42 4.496 9.479 -2.576 1.00 0.00 C ATOM 0 H ALA A 42 4.985 7.943 -0.663 1.00 0.00 H new ATOM 0 HA ALA A 42 2.623 9.176 -1.634 1.00 0.00 H new ATOM 0 HB1 ALA A 42 4.065 10.005 -3.427 1.00 0.00 H new ATOM 0 HB2 ALA A 42 4.819 10.203 -1.828 1.00 0.00 H new ATOM 0 HB3 ALA A 42 5.353 8.893 -2.908 1.00 0.00 H new ATOM 633 N SER A 43 2.002 7.980 -3.835 1.00 0.00 N ATOM 634 CA SER A 43 1.294 7.180 -4.830 1.00 0.00 C ATOM 635 C SER A 43 2.252 6.386 -5.736 1.00 0.00 C ATOM 636 O SER A 43 1.945 5.254 -6.090 1.00 0.00 O ATOM 637 CB SER A 43 0.373 8.152 -5.588 1.00 0.00 C ATOM 638 OG SER A 43 -0.411 7.576 -6.608 1.00 0.00 O ATOM 0 H SER A 43 1.686 8.950 -3.824 1.00 0.00 H new ATOM 0 HA SER A 43 0.696 6.399 -4.360 1.00 0.00 H new ATOM 0 HB2 SER A 43 -0.292 8.630 -4.869 1.00 0.00 H new ATOM 0 HB3 SER A 43 0.987 8.939 -6.026 1.00 0.00 H new ATOM 0 HG SER A 43 -0.879 6.790 -6.256 1.00 0.00 H new ATOM 644 N VAL A 44 3.432 6.916 -6.062 1.00 0.00 N ATOM 645 CA VAL A 44 4.418 6.265 -6.927 1.00 0.00 C ATOM 646 C VAL A 44 4.979 4.952 -6.341 1.00 0.00 C ATOM 647 O VAL A 44 5.476 4.116 -7.097 1.00 0.00 O ATOM 648 CB VAL A 44 5.498 7.314 -7.281 1.00 0.00 C ATOM 649 CG1 VAL A 44 6.057 8.046 -6.046 1.00 0.00 C ATOM 650 CG2 VAL A 44 6.639 6.774 -8.152 1.00 0.00 C ATOM 0 H VAL A 44 3.736 7.830 -5.725 1.00 0.00 H new ATOM 0 HA VAL A 44 3.937 5.928 -7.845 1.00 0.00 H new ATOM 0 HB VAL A 44 4.962 8.043 -7.888 1.00 0.00 H new ATOM 0 HG11 VAL A 44 6.810 8.768 -6.361 1.00 0.00 H new ATOM 0 HG12 VAL A 44 5.247 8.566 -5.534 1.00 0.00 H new ATOM 0 HG13 VAL A 44 6.510 7.322 -5.368 1.00 0.00 H new ATOM 0 HG21 VAL A 44 7.352 7.573 -8.354 1.00 0.00 H new ATOM 0 HG22 VAL A 44 7.143 5.961 -7.629 1.00 0.00 H new ATOM 0 HG23 VAL A 44 6.234 6.403 -9.093 1.00 0.00 H new ATOM 660 N SER A 45 4.878 4.730 -5.028 1.00 0.00 N ATOM 661 CA SER A 45 5.403 3.532 -4.387 1.00 0.00 C ATOM 662 C SER A 45 4.657 2.274 -4.854 1.00 0.00 C ATOM 663 O SER A 45 3.446 2.322 -5.094 1.00 0.00 O ATOM 664 CB SER A 45 5.259 3.656 -2.861 1.00 0.00 C ATOM 665 OG SER A 45 5.708 4.910 -2.369 1.00 0.00 O ATOM 0 H SER A 45 4.428 5.380 -4.383 1.00 0.00 H new ATOM 0 HA SER A 45 6.453 3.438 -4.664 1.00 0.00 H new ATOM 0 HB2 SER A 45 4.214 3.516 -2.586 1.00 0.00 H new ATOM 0 HB3 SER A 45 5.825 2.858 -2.381 1.00 0.00 H new ATOM 0 HG SER A 45 5.009 5.583 -2.503 1.00 0.00 H new ATOM 671 N SER A 46 5.362 1.143 -4.969 1.00 0.00 N ATOM 672 CA SER A 46 4.724 -0.137 -5.263 1.00 0.00 C ATOM 673 C SER A 46 3.758 -0.489 -4.130 1.00 0.00 C ATOM 674 O SER A 46 3.978 -0.096 -2.979 1.00 0.00 O ATOM 675 CB SER A 46 5.783 -1.232 -5.462 1.00 0.00 C ATOM 676 OG SER A 46 5.189 -2.514 -5.485 1.00 0.00 O ATOM 0 H SER A 46 6.375 1.092 -4.862 1.00 0.00 H new ATOM 0 HA SER A 46 4.158 -0.061 -6.192 1.00 0.00 H new ATOM 0 HB2 SER A 46 6.319 -1.059 -6.395 1.00 0.00 H new ATOM 0 HB3 SER A 46 6.518 -1.182 -4.658 1.00 0.00 H new ATOM 0 HG SER A 46 5.883 -3.194 -5.614 1.00 0.00 H new ATOM 682 N ILE A 47 2.701 -1.244 -4.448 1.00 0.00 N ATOM 683 CA ILE A 47 1.794 -1.760 -3.430 1.00 0.00 C ATOM 684 C ILE A 47 2.616 -2.731 -2.570 1.00 0.00 C ATOM 685 O ILE A 47 2.555 -2.633 -1.343 1.00 0.00 O ATOM 686 CB ILE A 47 0.531 -2.391 -4.074 1.00 0.00 C ATOM 687 CG1 ILE A 47 -0.324 -1.266 -4.711 1.00 0.00 C ATOM 688 CG2 ILE A 47 -0.303 -3.181 -3.045 1.00 0.00 C ATOM 689 CD1 ILE A 47 -1.625 -1.740 -5.372 1.00 0.00 C ATOM 0 H ILE A 47 2.457 -1.508 -5.402 1.00 0.00 H new ATOM 0 HA ILE A 47 1.398 -0.970 -2.792 1.00 0.00 H new ATOM 0 HB ILE A 47 0.849 -3.099 -4.840 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -0.570 -0.536 -3.940 1.00 0.00 H new ATOM 0 HG13 ILE A 47 0.279 -0.750 -5.458 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -1.178 -3.607 -3.536 1.00 0.00 H new ATOM 0 HG22 ILE A 47 0.303 -3.983 -2.624 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -0.624 -2.512 -2.247 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -2.154 -0.883 -5.789 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -1.392 -2.446 -6.169 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -2.254 -2.228 -4.628 1.00 0.00 H new ATOM 701 N CYS A 48 3.425 -3.614 -3.183 1.00 0.00 N ATOM 702 CA CYS A 48 4.329 -4.473 -2.424 1.00 0.00 C ATOM 703 C CYS A 48 5.342 -3.610 -1.680 1.00 0.00 C ATOM 704 O CYS A 48 5.600 -3.861 -0.508 1.00 0.00 O ATOM 705 CB CYS A 48 5.142 -5.425 -3.300 1.00 0.00 C ATOM 706 SG CYS A 48 4.307 -6.528 -4.442 1.00 0.00 S ATOM 0 H CYS A 48 3.466 -3.745 -4.194 1.00 0.00 H new ATOM 0 HA CYS A 48 3.694 -5.058 -1.758 1.00 0.00 H new ATOM 0 HB2 CYS A 48 5.834 -4.817 -3.884 1.00 0.00 H new ATOM 0 HB3 CYS A 48 5.744 -6.043 -2.634 1.00 0.00 H new ATOM 711 N GLY A 49 5.905 -2.610 -2.365 1.00 0.00 N ATOM 712 CA GLY A 49 6.874 -1.668 -1.827 1.00 0.00 C ATOM 713 C GLY A 49 6.427 -1.145 -0.473 1.00 0.00 C ATOM 714 O GLY A 49 7.059 -1.427 0.543 1.00 0.00 O ATOM 0 H GLY A 49 5.686 -2.433 -3.345 1.00 0.00 H new ATOM 0 HA2 GLY A 49 7.845 -2.154 -1.731 1.00 0.00 H new ATOM 0 HA3 GLY A 49 7.001 -0.836 -2.519 1.00 0.00 H new ATOM 718 N ALA A 50 5.323 -0.402 -0.467 1.00 0.00 N ATOM 719 CA ALA A 50 4.742 0.170 0.731 1.00 0.00 C ATOM 720 C ALA A 50 4.441 -0.913 1.767 1.00 0.00 C ATOM 721 O ALA A 50 4.768 -0.734 2.938 1.00 0.00 O ATOM 722 CB ALA A 50 3.472 0.926 0.343 1.00 0.00 C ATOM 0 H ALA A 50 4.802 -0.180 -1.315 1.00 0.00 H new ATOM 0 HA ALA A 50 5.452 0.859 1.187 1.00 0.00 H new ATOM 0 HB1 ALA A 50 3.022 1.363 1.234 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.721 1.718 -0.363 1.00 0.00 H new ATOM 0 HB3 ALA A 50 2.765 0.237 -0.120 1.00 0.00 H new ATOM 728 N ALA A 51 3.806 -2.018 1.354 1.00 0.00 N ATOM 729 CA ALA A 51 3.371 -3.075 2.256 1.00 0.00 C ATOM 730 C ALA A 51 4.557 -3.670 3.010 1.00 0.00 C ATOM 731 O ALA A 51 4.580 -3.655 4.239 1.00 0.00 O ATOM 732 CB ALA A 51 2.589 -4.141 1.479 1.00 0.00 C ATOM 0 H ALA A 51 3.581 -2.198 0.375 1.00 0.00 H new ATOM 0 HA ALA A 51 2.701 -2.650 3.004 1.00 0.00 H new ATOM 0 HB1 ALA A 51 2.268 -4.927 2.162 1.00 0.00 H new ATOM 0 HB2 ALA A 51 1.715 -3.685 1.015 1.00 0.00 H new ATOM 0 HB3 ALA A 51 3.228 -4.570 0.707 1.00 0.00 H new ATOM 738 N VAL A 52 5.522 -4.225 2.287 1.00 0.00 N ATOM 739 CA VAL A 52 6.678 -4.894 2.856 1.00 0.00 C ATOM 740 C VAL A 52 7.566 -3.891 3.603 1.00 0.00 C ATOM 741 O VAL A 52 8.040 -4.211 4.691 1.00 0.00 O ATOM 742 CB VAL A 52 7.405 -5.680 1.752 1.00 0.00 C ATOM 743 CG1 VAL A 52 8.569 -6.497 2.316 1.00 0.00 C ATOM 744 CG2 VAL A 52 6.471 -6.674 1.032 1.00 0.00 C ATOM 0 H VAL A 52 5.520 -4.221 1.267 1.00 0.00 H new ATOM 0 HA VAL A 52 6.370 -5.622 3.607 1.00 0.00 H new ATOM 0 HB VAL A 52 7.764 -4.926 1.052 1.00 0.00 H new ATOM 0 HG11 VAL A 52 9.059 -7.039 1.507 1.00 0.00 H new ATOM 0 HG12 VAL A 52 9.286 -5.828 2.791 1.00 0.00 H new ATOM 0 HG13 VAL A 52 8.192 -7.207 3.052 1.00 0.00 H new ATOM 0 HG21 VAL A 52 7.030 -7.205 0.261 1.00 0.00 H new ATOM 0 HG22 VAL A 52 6.077 -7.390 1.753 1.00 0.00 H new ATOM 0 HG23 VAL A 52 5.646 -6.130 0.572 1.00 0.00 H new ATOM 754 N HIS A 53 7.741 -2.659 3.108 1.00 0.00 N ATOM 755 CA HIS A 53 8.499 -1.630 3.826 1.00 0.00 C ATOM 756 C HIS A 53 7.851 -1.336 5.181 1.00 0.00 C ATOM 757 O HIS A 53 8.529 -1.304 6.211 1.00 0.00 O ATOM 758 CB HIS A 53 8.608 -0.360 2.980 1.00 0.00 C ATOM 759 CG HIS A 53 9.457 0.685 3.645 1.00 0.00 C ATOM 760 ND1 HIS A 53 8.984 1.742 4.427 1.00 0.00 N ATOM 761 CD2 HIS A 53 10.819 0.706 3.618 1.00 0.00 C ATOM 762 CE1 HIS A 53 10.092 2.382 4.841 1.00 0.00 C ATOM 763 NE2 HIS A 53 11.203 1.789 4.367 1.00 0.00 N ATOM 0 H HIS A 53 7.366 -2.351 2.211 1.00 0.00 H new ATOM 0 HA HIS A 53 9.507 -2.002 4.009 1.00 0.00 H new ATOM 0 HB2 HIS A 53 9.033 -0.607 2.007 1.00 0.00 H new ATOM 0 HB3 HIS A 53 7.611 0.043 2.800 1.00 0.00 H new ATOM 0 HD2 HIS A 53 11.467 0.009 3.108 1.00 0.00 H new ATOM 0 HE1 HIS A 53 10.090 3.258 5.472 1.00 0.00 H new ATOM 0 HE2 HIS A 53 12.162 2.092 4.535 1.00 0.00 H new ATOM 771 N ARG A 54 6.523 -1.162 5.201 1.00 0.00 N ATOM 772 CA ARG A 54 5.742 -1.007 6.427 1.00 0.00 C ATOM 773 C ARG A 54 5.830 -2.269 7.284 1.00 0.00 C ATOM 774 O ARG A 54 5.600 -2.179 8.489 1.00 0.00 O ATOM 775 CB ARG A 54 4.282 -0.655 6.068 1.00 0.00 C ATOM 776 CG ARG A 54 3.280 -0.629 7.236 1.00 0.00 C ATOM 777 CD ARG A 54 3.665 0.362 8.348 1.00 0.00 C ATOM 778 NE ARG A 54 2.812 0.241 9.543 1.00 0.00 N ATOM 779 CZ ARG A 54 2.773 -0.773 10.423 1.00 0.00 C ATOM 780 NH1 ARG A 54 3.499 -1.874 10.277 1.00 0.00 N ATOM 781 NH2 ARG A 54 1.961 -0.682 11.460 1.00 0.00 N ATOM 0 H ARG A 54 5.957 -1.125 4.353 1.00 0.00 H new ATOM 0 HA ARG A 54 6.153 -0.190 7.020 1.00 0.00 H new ATOM 0 HB2 ARG A 54 4.274 0.324 5.589 1.00 0.00 H new ATOM 0 HB3 ARG A 54 3.928 -1.375 5.330 1.00 0.00 H new ATOM 0 HG2 ARG A 54 2.293 -0.369 6.853 1.00 0.00 H new ATOM 0 HG3 ARG A 54 3.203 -1.630 7.662 1.00 0.00 H new ATOM 0 HD2 ARG A 54 4.704 0.197 8.631 1.00 0.00 H new ATOM 0 HD3 ARG A 54 3.598 1.379 7.961 1.00 0.00 H new ATOM 0 HE ARG A 54 2.177 1.018 9.723 1.00 0.00 H new ATOM 0 HH11 ARG A 54 4.117 -1.974 9.472 1.00 0.00 H new ATOM 0 HH12 ARG A 54 3.439 -2.620 10.970 1.00 0.00 H new ATOM 0 HH21 ARG A 54 1.379 0.147 11.581 1.00 0.00 H new ATOM 0 HH22 ARG A 54 1.916 -1.441 12.140 1.00 0.00 H new ATOM 795 N GLY A 55 6.120 -3.431 6.710 1.00 0.00 N ATOM 796 CA GLY A 55 6.154 -4.697 7.418 1.00 0.00 C ATOM 797 C GLY A 55 4.761 -5.298 7.562 1.00 0.00 C ATOM 798 O GLY A 55 4.490 -5.974 8.550 1.00 0.00 O ATOM 0 H GLY A 55 6.342 -3.517 5.718 1.00 0.00 H new ATOM 0 HA2 GLY A 55 6.799 -5.395 6.884 1.00 0.00 H new ATOM 0 HA3 GLY A 55 6.591 -4.550 8.406 1.00 0.00 H new ATOM 802 N VAL A 56 3.849 -5.012 6.629 1.00 0.00 N ATOM 803 CA VAL A 56 2.526 -5.623 6.574 1.00 0.00 C ATOM 804 C VAL A 56 2.734 -7.123 6.363 1.00 0.00 C ATOM 805 O VAL A 56 2.468 -7.924 7.254 1.00 0.00 O ATOM 806 CB VAL A 56 1.718 -4.977 5.426 1.00 0.00 C ATOM 807 CG1 VAL A 56 0.404 -5.684 5.070 1.00 0.00 C ATOM 808 CG2 VAL A 56 1.405 -3.506 5.729 1.00 0.00 C ATOM 0 H VAL A 56 4.015 -4.339 5.881 1.00 0.00 H new ATOM 0 HA VAL A 56 1.959 -5.466 7.492 1.00 0.00 H new ATOM 0 HB VAL A 56 2.374 -5.075 4.561 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -0.086 -5.153 4.254 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.614 -6.708 4.762 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -0.251 -5.694 5.941 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.836 -3.078 4.904 1.00 0.00 H new ATOM 0 HG22 VAL A 56 0.820 -3.440 6.646 1.00 0.00 H new ATOM 0 HG23 VAL A 56 2.337 -2.954 5.852 1.00 0.00 H new ATOM 818 N ILE A 57 3.271 -7.474 5.201 1.00 0.00 N ATOM 819 CA ILE A 57 3.608 -8.816 4.763 1.00 0.00 C ATOM 820 C ILE A 57 5.124 -8.854 4.599 1.00 0.00 C ATOM 821 O ILE A 57 5.750 -7.803 4.432 1.00 0.00 O ATOM 822 CB ILE A 57 2.888 -9.133 3.423 1.00 0.00 C ATOM 823 CG1 ILE A 57 2.941 -7.953 2.416 1.00 0.00 C ATOM 824 CG2 ILE A 57 1.428 -9.528 3.693 1.00 0.00 C ATOM 825 CD1 ILE A 57 2.673 -8.341 0.956 1.00 0.00 C ATOM 0 H ILE A 57 3.497 -6.776 4.492 1.00 0.00 H new ATOM 0 HA ILE A 57 3.286 -9.567 5.484 1.00 0.00 H new ATOM 0 HB ILE A 57 3.421 -9.966 2.964 1.00 0.00 H new ATOM 0 HG12 ILE A 57 2.210 -7.203 2.718 1.00 0.00 H new ATOM 0 HG13 ILE A 57 3.923 -7.484 2.478 1.00 0.00 H new ATOM 0 HG21 ILE A 57 0.930 -9.749 2.749 1.00 0.00 H new ATOM 0 HG22 ILE A 57 1.402 -10.411 4.332 1.00 0.00 H new ATOM 0 HG23 ILE A 57 0.914 -8.705 4.190 1.00 0.00 H new ATOM 0 HD11 ILE A 57 2.731 -7.453 0.327 1.00 0.00 H new ATOM 0 HD12 ILE A 57 3.418 -9.066 0.630 1.00 0.00 H new ATOM 0 HD13 ILE A 57 1.679 -8.780 0.873 1.00 0.00 H new ATOM 837 N SER A 58 5.709 -10.051 4.622 1.00 0.00 N ATOM 838 CA SER A 58 7.127 -10.202 4.336 1.00 0.00 C ATOM 839 C SER A 58 7.326 -10.016 2.825 1.00 0.00 C ATOM 840 O SER A 58 6.342 -9.900 2.082 1.00 0.00 O ATOM 841 CB SER A 58 7.612 -11.590 4.767 1.00 0.00 C ATOM 842 OG SER A 58 7.065 -11.992 6.012 1.00 0.00 O ATOM 0 H SER A 58 5.223 -10.922 4.835 1.00 0.00 H new ATOM 0 HA SER A 58 7.704 -9.460 4.888 1.00 0.00 H new ATOM 0 HB2 SER A 58 7.343 -12.319 4.003 1.00 0.00 H new ATOM 0 HB3 SER A 58 8.700 -11.587 4.835 1.00 0.00 H new ATOM 0 HG SER A 58 7.401 -12.883 6.245 1.00 0.00 H new ATOM 848 N ASN A 59 8.572 -10.027 2.330 1.00 0.00 N ATOM 849 CA ASN A 59 8.816 -9.989 0.885 1.00 0.00 C ATOM 850 C ASN A 59 8.453 -11.364 0.296 1.00 0.00 C ATOM 851 O ASN A 59 9.320 -12.198 0.031 1.00 0.00 O ATOM 852 CB ASN A 59 10.280 -9.602 0.599 1.00 0.00 C ATOM 853 CG ASN A 59 10.507 -9.445 -0.899 1.00 0.00 C ATOM 854 OD1 ASN A 59 11.231 -10.227 -1.510 1.00 0.00 O ATOM 855 ND2 ASN A 59 9.897 -8.450 -1.514 1.00 0.00 N ATOM 0 H ASN A 59 9.416 -10.061 2.902 1.00 0.00 H new ATOM 0 HA ASN A 59 8.194 -9.230 0.411 1.00 0.00 H new ATOM 0 HB2 ASN A 59 10.522 -8.670 1.109 1.00 0.00 H new ATOM 0 HB3 ASN A 59 10.949 -10.366 0.996 1.00 0.00 H new ATOM 0 HD21 ASN A 59 10.022 -8.318 -2.518 1.00 0.00 H new ATOM 0 HD22 ASN A 59 9.300 -7.813 -0.986 1.00 0.00 H new ATOM 862 N SER A 60 7.155 -11.646 0.210 1.00 0.00 N ATOM 863 CA SER A 60 6.547 -12.903 -0.199 1.00 0.00 C ATOM 864 C SER A 60 5.213 -12.696 -0.943 1.00 0.00 C ATOM 865 O SER A 60 4.749 -13.616 -1.620 1.00 0.00 O ATOM 866 CB SER A 60 6.378 -13.730 1.088 1.00 0.00 C ATOM 867 OG SER A 60 6.010 -15.080 0.890 1.00 0.00 O ATOM 0 H SER A 60 6.450 -10.946 0.443 1.00 0.00 H new ATOM 0 HA SER A 60 7.178 -13.425 -0.918 1.00 0.00 H new ATOM 0 HB2 SER A 60 7.315 -13.703 1.644 1.00 0.00 H new ATOM 0 HB3 SER A 60 5.623 -13.252 1.712 1.00 0.00 H new ATOM 0 HG SER A 60 5.927 -15.527 1.758 1.00 0.00 H new ATOM 873 N GLY A 61 4.604 -11.506 -0.840 1.00 0.00 N ATOM 874 CA GLY A 61 3.274 -11.223 -1.375 1.00 0.00 C ATOM 875 C GLY A 61 2.233 -11.624 -0.317 1.00 0.00 C ATOM 876 O GLY A 61 2.602 -12.122 0.749 1.00 0.00 O ATOM 0 H GLY A 61 5.032 -10.705 -0.375 1.00 0.00 H new ATOM 0 HA2 GLY A 61 3.180 -10.165 -1.618 1.00 0.00 H new ATOM 0 HA3 GLY A 61 3.110 -11.778 -2.299 1.00 0.00 H new ATOM 880 N GLY A 62 0.938 -11.408 -0.573 1.00 0.00 N ATOM 881 CA GLY A 62 -0.129 -11.735 0.376 1.00 0.00 C ATOM 882 C GLY A 62 -1.291 -10.740 0.347 1.00 0.00 C ATOM 883 O GLY A 62 -1.306 -9.845 -0.505 1.00 0.00 O ATOM 0 H GLY A 62 0.601 -11.001 -1.445 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -0.509 -12.733 0.156 1.00 0.00 H new ATOM 0 HA3 GLY A 62 0.287 -11.768 1.383 1.00 0.00 H new ATOM 887 N PRO A 63 -2.292 -10.914 1.227 1.00 0.00 N ATOM 888 CA PRO A 63 -3.407 -9.988 1.392 1.00 0.00 C ATOM 889 C PRO A 63 -2.981 -8.750 2.194 1.00 0.00 C ATOM 890 O PRO A 63 -2.207 -8.855 3.150 1.00 0.00 O ATOM 891 CB PRO A 63 -4.484 -10.799 2.121 1.00 0.00 C ATOM 892 CG PRO A 63 -3.684 -11.795 2.957 1.00 0.00 C ATOM 893 CD PRO A 63 -2.435 -12.058 2.119 1.00 0.00 C ATOM 0 HA PRO A 63 -3.772 -9.603 0.440 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -5.109 -10.162 2.747 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -5.147 -11.306 1.420 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -3.430 -11.384 3.934 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -4.247 -12.712 3.134 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -1.556 -12.168 2.755 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -2.535 -12.983 1.552 1.00 0.00 H new ATOM 901 N VAL A 64 -3.486 -7.575 1.811 1.00 0.00 N ATOM 902 CA VAL A 64 -3.121 -6.276 2.368 1.00 0.00 C ATOM 903 C VAL A 64 -4.361 -5.356 2.351 1.00 0.00 C ATOM 904 O VAL A 64 -5.299 -5.582 1.587 1.00 0.00 O ATOM 905 CB VAL A 64 -1.958 -5.700 1.520 1.00 0.00 C ATOM 906 CG1 VAL A 64 -1.463 -4.375 2.073 1.00 0.00 C ATOM 907 CG2 VAL A 64 -0.750 -6.643 1.352 1.00 0.00 C ATOM 0 H VAL A 64 -4.188 -7.503 1.075 1.00 0.00 H new ATOM 0 HA VAL A 64 -2.788 -6.361 3.402 1.00 0.00 H new ATOM 0 HB VAL A 64 -2.400 -5.564 0.533 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -0.648 -4.003 1.452 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -2.279 -3.652 2.072 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -1.106 -4.517 3.093 1.00 0.00 H new ATOM 0 HG21 VAL A 64 0.012 -6.154 0.745 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -0.335 -6.881 2.332 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -1.071 -7.562 0.861 1.00 0.00 H new ATOM 917 N ARG A 65 -4.372 -4.279 3.144 1.00 0.00 N ATOM 918 CA ARG A 65 -5.423 -3.258 3.136 1.00 0.00 C ATOM 919 C ARG A 65 -4.801 -1.871 3.090 1.00 0.00 C ATOM 920 O ARG A 65 -4.188 -1.421 4.058 1.00 0.00 O ATOM 921 CB ARG A 65 -6.380 -3.444 4.319 1.00 0.00 C ATOM 922 CG ARG A 65 -7.460 -2.346 4.316 1.00 0.00 C ATOM 923 CD ARG A 65 -8.637 -2.585 5.269 1.00 0.00 C ATOM 924 NE ARG A 65 -8.279 -3.245 6.534 1.00 0.00 N ATOM 925 CZ ARG A 65 -8.418 -4.554 6.779 1.00 0.00 C ATOM 926 NH1 ARG A 65 -8.877 -5.377 5.838 1.00 0.00 N ATOM 927 NH2 ARG A 65 -8.091 -5.034 7.968 1.00 0.00 N ATOM 0 H ARG A 65 -3.635 -4.090 3.823 1.00 0.00 H new ATOM 0 HA ARG A 65 -6.028 -3.371 2.236 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -6.851 -4.426 4.263 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -5.822 -3.411 5.255 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -6.991 -1.397 4.575 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -7.849 -2.244 3.303 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -9.105 -1.627 5.495 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -9.384 -3.192 4.757 1.00 0.00 H new ATOM 0 HE ARG A 65 -7.897 -2.663 7.279 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -9.127 -5.012 4.919 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -8.979 -6.372 6.036 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -7.736 -4.408 8.691 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -8.194 -6.030 8.162 1.00 0.00 H new ATOM 941 N VAL A 66 -4.930 -1.205 1.952 1.00 0.00 N ATOM 942 CA VAL A 66 -4.451 0.147 1.694 1.00 0.00 C ATOM 943 C VAL A 66 -5.492 1.172 2.187 1.00 0.00 C ATOM 944 O VAL A 66 -6.694 0.931 2.089 1.00 0.00 O ATOM 945 CB VAL A 66 -4.209 0.272 0.168 1.00 0.00 C ATOM 946 CG1 VAL A 66 -3.614 1.632 -0.220 1.00 0.00 C ATOM 947 CG2 VAL A 66 -3.253 -0.815 -0.368 1.00 0.00 C ATOM 0 H VAL A 66 -5.395 -1.613 1.141 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.522 0.347 2.228 1.00 0.00 H new ATOM 0 HB VAL A 66 -5.197 0.154 -0.278 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -3.464 1.669 -1.299 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -4.298 2.427 0.078 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -2.657 1.768 0.285 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -3.117 -0.683 -1.441 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -2.289 -0.731 0.133 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -3.677 -1.800 -0.175 1.00 0.00 H new ATOM 957 N TYR A 67 -5.040 2.338 2.654 1.00 0.00 N ATOM 958 CA TYR A 67 -5.827 3.504 3.050 1.00 0.00 C ATOM 959 C TYR A 67 -5.185 4.720 2.392 1.00 0.00 C ATOM 960 O TYR A 67 -3.982 4.925 2.542 1.00 0.00 O ATOM 961 CB TYR A 67 -5.882 3.667 4.576 1.00 0.00 C ATOM 962 CG TYR A 67 -6.917 2.785 5.242 1.00 0.00 C ATOM 963 CD1 TYR A 67 -6.616 1.472 5.648 1.00 0.00 C ATOM 964 CD2 TYR A 67 -8.211 3.297 5.439 1.00 0.00 C ATOM 965 CE1 TYR A 67 -7.612 0.668 6.234 1.00 0.00 C ATOM 966 CE2 TYR A 67 -9.219 2.486 5.979 1.00 0.00 C ATOM 967 CZ TYR A 67 -8.928 1.164 6.380 1.00 0.00 C ATOM 968 OH TYR A 67 -9.927 0.375 6.873 1.00 0.00 O ATOM 0 H TYR A 67 -4.040 2.502 2.773 1.00 0.00 H new ATOM 0 HA TYR A 67 -6.860 3.385 2.724 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -4.901 3.440 4.993 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -6.097 4.709 4.814 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -5.619 1.080 5.510 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -8.430 4.321 5.173 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -7.371 -0.329 6.572 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -10.221 2.874 6.089 1.00 0.00 H new ATOM 0 HH TYR A 67 -10.395 0.850 7.591 1.00 0.00 H new ATOM 978 N SER A 68 -5.939 5.501 1.616 1.00 0.00 N ATOM 979 CA SER A 68 -5.400 6.736 1.058 1.00 0.00 C ATOM 980 C SER A 68 -5.083 7.716 2.188 1.00 0.00 C ATOM 981 O SER A 68 -5.577 7.597 3.311 1.00 0.00 O ATOM 982 CB SER A 68 -6.342 7.352 0.019 1.00 0.00 C ATOM 983 OG SER A 68 -7.538 7.818 0.611 1.00 0.00 O ATOM 0 H SER A 68 -6.907 5.303 1.365 1.00 0.00 H new ATOM 0 HA SER A 68 -4.475 6.502 0.530 1.00 0.00 H new ATOM 0 HB2 SER A 68 -5.839 8.178 -0.484 1.00 0.00 H new ATOM 0 HB3 SER A 68 -6.578 6.610 -0.744 1.00 0.00 H new ATOM 0 HG SER A 68 -8.003 7.070 1.041 1.00 0.00 H new ATOM 989 N LEU A 69 -4.235 8.687 1.880 1.00 0.00 N ATOM 990 CA LEU A 69 -3.824 9.758 2.766 1.00 0.00 C ATOM 991 C LEU A 69 -3.865 11.024 1.896 1.00 0.00 C ATOM 992 O LEU A 69 -3.668 10.898 0.681 1.00 0.00 O ATOM 993 CB LEU A 69 -2.446 9.333 3.312 1.00 0.00 C ATOM 994 CG LEU A 69 -2.004 10.011 4.615 1.00 0.00 C ATOM 995 CD1 LEU A 69 -1.226 9.011 5.480 1.00 0.00 C ATOM 996 CD2 LEU A 69 -1.124 11.225 4.313 1.00 0.00 C ATOM 0 H LEU A 69 -3.796 8.749 0.961 1.00 0.00 H new ATOM 0 HA LEU A 69 -4.443 9.960 3.640 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.457 8.255 3.472 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.696 9.535 2.547 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.890 10.346 5.154 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.913 9.496 6.405 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.864 8.159 5.715 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.347 8.666 4.936 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.819 11.695 5.248 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.240 10.905 3.762 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -1.686 11.941 3.713 1.00 0.00 H new ATOM 1008 N PRO A 70 -4.154 12.228 2.421 1.00 0.00 N ATOM 1009 CA PRO A 70 -4.289 13.412 1.576 1.00 0.00 C ATOM 1010 C PRO A 70 -2.964 13.765 0.888 1.00 0.00 C ATOM 1011 O PRO A 70 -1.921 13.162 1.160 1.00 0.00 O ATOM 1012 CB PRO A 70 -4.795 14.529 2.500 1.00 0.00 C ATOM 1013 CG PRO A 70 -4.327 14.083 3.883 1.00 0.00 C ATOM 1014 CD PRO A 70 -4.448 12.564 3.804 1.00 0.00 C ATOM 0 HA PRO A 70 -4.990 13.247 0.758 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -4.376 15.497 2.227 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -5.880 14.627 2.455 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -3.303 14.398 4.085 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -4.950 14.498 4.675 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -3.749 12.078 4.484 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -5.448 12.234 4.085 1.00 0.00 H new ATOM 1022 N GLY A 71 -3.008 14.752 -0.014 1.00 0.00 N ATOM 1023 CA GLY A 71 -1.808 15.274 -0.644 1.00 0.00 C ATOM 1024 C GLY A 71 -0.819 15.666 0.449 1.00 0.00 C ATOM 1025 O GLY A 71 -1.213 16.301 1.432 1.00 0.00 O ATOM 0 H GLY A 71 -3.871 15.202 -0.320 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -1.368 14.524 -1.301 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -2.050 16.138 -1.263 1.00 0.00 H new ATOM 1029 N ARG A 72 0.449 15.298 0.281 1.00 0.00 N ATOM 1030 CA ARG A 72 1.471 15.479 1.300 1.00 0.00 C ATOM 1031 C ARG A 72 2.694 16.158 0.723 1.00 0.00 C ATOM 1032 O ARG A 72 2.853 16.322 -0.485 1.00 0.00 O ATOM 1033 CB ARG A 72 1.802 14.116 1.928 1.00 0.00 C ATOM 1034 CG ARG A 72 0.784 13.657 2.972 1.00 0.00 C ATOM 1035 CD ARG A 72 1.343 13.717 4.402 1.00 0.00 C ATOM 1036 NE ARG A 72 1.134 15.013 5.069 1.00 0.00 N ATOM 1037 CZ ARG A 72 2.049 15.695 5.767 1.00 0.00 C ATOM 1038 NH1 ARG A 72 3.346 15.479 5.596 1.00 0.00 N ATOM 1039 NH2 ARG A 72 1.656 16.609 6.641 1.00 0.00 N ATOM 0 H ARG A 72 0.795 14.863 -0.574 1.00 0.00 H new ATOM 0 HA ARG A 72 1.097 16.135 2.085 1.00 0.00 H new ATOM 0 HB2 ARG A 72 1.862 13.367 1.138 1.00 0.00 H new ATOM 0 HB3 ARG A 72 2.787 14.169 2.392 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -0.106 14.282 2.906 1.00 0.00 H new ATOM 0 HG3 ARG A 72 0.474 12.636 2.749 1.00 0.00 H new ATOM 0 HD2 ARG A 72 0.876 12.933 4.998 1.00 0.00 H new ATOM 0 HD3 ARG A 72 2.411 13.502 4.374 1.00 0.00 H new ATOM 0 HE ARG A 72 0.206 15.429 4.992 1.00 0.00 H new ATOM 0 HH11 ARG A 72 3.662 14.782 4.922 1.00 0.00 H new ATOM 0 HH12 ARG A 72 4.027 16.010 6.138 1.00 0.00 H new ATOM 0 HH21 ARG A 72 0.661 16.789 6.778 1.00 0.00 H new ATOM 0 HH22 ARG A 72 2.348 17.133 7.177 1.00 0.00 H new ATOM 1053 N GLU A 73 3.525 16.597 1.649 1.00 0.00 N ATOM 1054 CA GLU A 73 4.745 17.361 1.521 1.00 0.00 C ATOM 1055 C GLU A 73 5.593 16.991 2.750 1.00 0.00 C ATOM 1056 O GLU A 73 5.128 16.223 3.598 1.00 0.00 O ATOM 1057 CB GLU A 73 4.379 18.857 1.468 1.00 0.00 C ATOM 1058 CG GLU A 73 3.604 19.325 2.716 1.00 0.00 C ATOM 1059 CD GLU A 73 2.809 20.605 2.482 1.00 0.00 C ATOM 1060 OE1 GLU A 73 1.772 20.558 1.780 1.00 0.00 O ATOM 1061 OE2 GLU A 73 3.109 21.620 3.147 1.00 0.00 O ATOM 0 H GLU A 73 3.333 16.399 2.631 1.00 0.00 H new ATOM 0 HA GLU A 73 5.309 17.147 0.613 1.00 0.00 H new ATOM 0 HB2 GLU A 73 5.291 19.446 1.369 1.00 0.00 H new ATOM 0 HB3 GLU A 73 3.778 19.048 0.579 1.00 0.00 H new ATOM 0 HG2 GLU A 73 2.923 18.534 3.031 1.00 0.00 H new ATOM 0 HG3 GLU A 73 4.307 19.485 3.534 1.00 0.00 H new ATOM 1068 N ASN A 74 6.793 17.562 2.887 1.00 0.00 N ATOM 1069 CA ASN A 74 7.696 17.409 4.039 1.00 0.00 C ATOM 1070 C ASN A 74 7.823 15.942 4.474 1.00 0.00 C ATOM 1071 O ASN A 74 7.561 15.591 5.630 1.00 0.00 O ATOM 1072 CB ASN A 74 7.269 18.340 5.191 1.00 0.00 C ATOM 1073 CG ASN A 74 7.378 19.812 4.828 1.00 0.00 C ATOM 1074 OD1 ASN A 74 8.440 20.281 4.424 1.00 0.00 O ATOM 1075 ND2 ASN A 74 6.301 20.569 4.940 1.00 0.00 N ATOM 0 H ASN A 74 7.182 18.171 2.168 1.00 0.00 H new ATOM 0 HA ASN A 74 8.696 17.715 3.732 1.00 0.00 H new ATOM 0 HB2 ASN A 74 6.240 18.115 5.472 1.00 0.00 H new ATOM 0 HB3 ASN A 74 7.889 18.139 6.064 1.00 0.00 H new ATOM 0 HD21 ASN A 74 6.344 21.557 4.690 1.00 0.00 H new ATOM 0 HD22 ASN A 74 5.427 20.166 5.277 1.00 0.00 H new ATOM 1082 N TYR A 75 8.167 15.086 3.513 1.00 0.00 N ATOM 1083 CA TYR A 75 8.378 13.654 3.685 1.00 0.00 C ATOM 1084 C TYR A 75 9.714 13.397 4.400 1.00 0.00 C ATOM 1085 O TYR A 75 10.362 14.321 4.894 1.00 0.00 O ATOM 1086 CB TYR A 75 8.346 12.976 2.307 1.00 0.00 C ATOM 1087 CG TYR A 75 7.044 13.110 1.544 1.00 0.00 C ATOM 1088 CD1 TYR A 75 6.822 14.232 0.722 1.00 0.00 C ATOM 1089 CD2 TYR A 75 6.091 12.072 1.590 1.00 0.00 C ATOM 1090 CE1 TYR A 75 5.656 14.319 -0.053 1.00 0.00 C ATOM 1091 CE2 TYR A 75 4.934 12.146 0.796 1.00 0.00 C ATOM 1092 CZ TYR A 75 4.715 13.270 -0.022 1.00 0.00 C ATOM 1093 OH TYR A 75 3.626 13.324 -0.822 1.00 0.00 O ATOM 0 H TYR A 75 8.312 15.388 2.550 1.00 0.00 H new ATOM 0 HA TYR A 75 7.586 13.233 4.304 1.00 0.00 H new ATOM 0 HB2 TYR A 75 9.148 13.392 1.698 1.00 0.00 H new ATOM 0 HB3 TYR A 75 8.563 11.916 2.438 1.00 0.00 H new ATOM 0 HD1 TYR A 75 7.552 15.028 0.688 1.00 0.00 H new ATOM 0 HD2 TYR A 75 6.250 11.221 2.235 1.00 0.00 H new ATOM 0 HE1 TYR A 75 5.480 15.187 -0.671 1.00 0.00 H new ATOM 0 HE2 TYR A 75 4.214 11.341 0.813 1.00 0.00 H new ATOM 0 HH TYR A 75 2.994 12.622 -0.562 1.00 0.00 H new ATOM 1103 N SER A 76 10.135 12.138 4.505 1.00 0.00 N ATOM 1104 CA SER A 76 11.432 11.725 5.032 1.00 0.00 C ATOM 1105 C SER A 76 11.816 10.388 4.379 1.00 0.00 C ATOM 1106 O SER A 76 11.095 9.906 3.501 1.00 0.00 O ATOM 1107 CB SER A 76 11.385 11.651 6.563 1.00 0.00 C ATOM 1108 OG SER A 76 10.949 12.879 7.126 1.00 0.00 O ATOM 0 H SER A 76 9.559 11.348 4.214 1.00 0.00 H new ATOM 0 HA SER A 76 12.202 12.456 4.788 1.00 0.00 H new ATOM 0 HB2 SER A 76 10.713 10.849 6.870 1.00 0.00 H new ATOM 0 HB3 SER A 76 12.374 11.403 6.948 1.00 0.00 H new ATOM 0 HG SER A 76 10.842 13.545 6.415 1.00 0.00 H new ATOM 1114 N SER A 77 12.942 9.801 4.782 1.00 0.00 N ATOM 1115 CA SER A 77 13.513 8.596 4.192 1.00 0.00 C ATOM 1116 C SER A 77 13.788 7.592 5.317 1.00 0.00 C ATOM 1117 O SER A 77 14.148 8.013 6.420 1.00 0.00 O ATOM 1118 CB SER A 77 14.807 8.980 3.457 1.00 0.00 C ATOM 1119 OG SER A 77 14.607 10.013 2.499 1.00 0.00 O ATOM 0 H SER A 77 13.499 10.165 5.555 1.00 0.00 H new ATOM 0 HA SER A 77 12.830 8.139 3.476 1.00 0.00 H new ATOM 0 HB2 SER A 77 15.551 9.304 4.185 1.00 0.00 H new ATOM 0 HB3 SER A 77 15.211 8.100 2.957 1.00 0.00 H new ATOM 0 HG SER A 77 15.458 10.222 2.061 1.00 0.00 H new ATOM 1125 N VAL A 78 13.603 6.293 5.051 1.00 0.00 N ATOM 1126 CA VAL A 78 13.803 5.184 5.989 1.00 0.00 C ATOM 1127 C VAL A 78 14.109 3.928 5.164 1.00 0.00 C ATOM 1128 O VAL A 78 13.471 3.701 4.134 1.00 0.00 O ATOM 1129 CB VAL A 78 12.517 4.936 6.826 1.00 0.00 C ATOM 1130 CG1 VAL A 78 12.633 3.754 7.804 1.00 0.00 C ATOM 1131 CG2 VAL A 78 12.058 6.149 7.647 1.00 0.00 C ATOM 0 H VAL A 78 13.295 5.973 4.133 1.00 0.00 H new ATOM 0 HA VAL A 78 14.619 5.421 6.672 1.00 0.00 H new ATOM 0 HB VAL A 78 11.780 4.714 6.054 1.00 0.00 H new ATOM 0 HG11 VAL A 78 11.698 3.642 8.353 1.00 0.00 H new ATOM 0 HG12 VAL A 78 12.838 2.840 7.247 1.00 0.00 H new ATOM 0 HG13 VAL A 78 13.445 3.941 8.506 1.00 0.00 H new ATOM 0 HG21 VAL A 78 11.155 5.893 8.201 1.00 0.00 H new ATOM 0 HG22 VAL A 78 12.844 6.434 8.346 1.00 0.00 H new ATOM 0 HG23 VAL A 78 11.848 6.983 6.977 1.00 0.00 H new ATOM 1141 N ASP A 79 15.007 3.077 5.641 1.00 0.00 N ATOM 1142 CA ASP A 79 15.355 1.766 5.091 1.00 0.00 C ATOM 1143 C ASP A 79 14.708 0.694 5.967 1.00 0.00 C ATOM 1144 O ASP A 79 14.842 0.773 7.193 1.00 0.00 O ATOM 1145 CB ASP A 79 16.877 1.588 5.141 1.00 0.00 C ATOM 1146 CG ASP A 79 17.257 0.139 4.850 1.00 0.00 C ATOM 1147 OD1 ASP A 79 16.858 -0.408 3.803 1.00 0.00 O ATOM 1148 OD2 ASP A 79 17.874 -0.497 5.736 1.00 0.00 O ATOM 0 H ASP A 79 15.549 3.295 6.477 1.00 0.00 H new ATOM 0 HA ASP A 79 15.007 1.684 4.061 1.00 0.00 H new ATOM 0 HB2 ASP A 79 17.350 2.247 4.413 1.00 0.00 H new ATOM 0 HB3 ASP A 79 17.251 1.878 6.123 1.00 0.00 H new ATOM 1153 N ALA A 80 14.009 -0.285 5.386 1.00 0.00 N ATOM 1154 CA ALA A 80 13.454 -1.422 6.113 1.00 0.00 C ATOM 1155 C ALA A 80 13.121 -2.564 5.152 1.00 0.00 C ATOM 1156 O ALA A 80 12.636 -2.326 4.048 1.00 0.00 O ATOM 1157 CB ALA A 80 12.163 -1.003 6.829 1.00 0.00 C ATOM 0 H ALA A 80 13.812 -0.307 4.385 1.00 0.00 H new ATOM 0 HA ALA A 80 14.198 -1.757 6.836 1.00 0.00 H new ATOM 0 HB1 ALA A 80 11.754 -1.856 7.370 1.00 0.00 H new ATOM 0 HB2 ALA A 80 12.381 -0.199 7.532 1.00 0.00 H new ATOM 0 HB3 ALA A 80 11.436 -0.656 6.095 1.00 0.00 H new ATOM 1163 N ASN A 81 13.278 -3.802 5.621 1.00 0.00 N ATOM 1164 CA ASN A 81 12.913 -5.050 4.947 1.00 0.00 C ATOM 1165 C ASN A 81 13.464 -5.164 3.519 1.00 0.00 C ATOM 1166 O ASN A 81 12.804 -5.704 2.633 1.00 0.00 O ATOM 1167 CB ASN A 81 11.394 -5.279 5.052 1.00 0.00 C ATOM 1168 CG ASN A 81 10.930 -5.434 6.496 1.00 0.00 C ATOM 1169 OD1 ASN A 81 11.666 -5.897 7.363 1.00 0.00 O ATOM 1170 ND2 ASN A 81 9.719 -5.018 6.818 1.00 0.00 N ATOM 0 H ASN A 81 13.689 -3.972 6.539 1.00 0.00 H new ATOM 0 HA ASN A 81 13.406 -5.869 5.471 1.00 0.00 H new ATOM 0 HB2 ASN A 81 10.870 -4.441 4.592 1.00 0.00 H new ATOM 0 HB3 ASN A 81 11.124 -6.172 4.488 1.00 0.00 H new ATOM 0 HD21 ASN A 81 9.398 -5.082 7.784 1.00 0.00 H new ATOM 0 HD22 ASN A 81 9.105 -4.633 6.101 1.00 0.00 H new ATOM 1177 N GLY A 82 14.686 -4.673 3.296 1.00 0.00 N ATOM 1178 CA GLY A 82 15.387 -4.744 2.019 1.00 0.00 C ATOM 1179 C GLY A 82 14.924 -3.674 1.036 1.00 0.00 C ATOM 1180 O GLY A 82 15.260 -3.748 -0.146 1.00 0.00 O ATOM 0 H GLY A 82 15.227 -4.203 4.022 1.00 0.00 H new ATOM 0 HA2 GLY A 82 16.458 -4.636 2.190 1.00 0.00 H new ATOM 0 HA3 GLY A 82 15.232 -5.729 1.578 1.00 0.00 H new ATOM 1184 N ILE A 83 14.172 -2.672 1.496 1.00 0.00 N ATOM 1185 CA ILE A 83 13.544 -1.654 0.670 1.00 0.00 C ATOM 1186 C ILE A 83 13.923 -0.293 1.255 1.00 0.00 C ATOM 1187 O ILE A 83 13.840 -0.082 2.467 1.00 0.00 O ATOM 1188 CB ILE A 83 12.021 -1.896 0.709 1.00 0.00 C ATOM 1189 CG1 ILE A 83 11.618 -3.318 0.255 1.00 0.00 C ATOM 1190 CG2 ILE A 83 11.286 -0.870 -0.163 1.00 0.00 C ATOM 1191 CD1 ILE A 83 10.332 -3.783 0.940 1.00 0.00 C ATOM 0 H ILE A 83 13.980 -2.548 2.490 1.00 0.00 H new ATOM 0 HA ILE A 83 13.871 -1.689 -0.369 1.00 0.00 H new ATOM 0 HB ILE A 83 11.730 -1.785 1.753 1.00 0.00 H new ATOM 0 HG12 ILE A 83 11.480 -3.330 -0.826 1.00 0.00 H new ATOM 0 HG13 ILE A 83 12.425 -4.015 0.481 1.00 0.00 H new ATOM 0 HG21 ILE A 83 10.213 -1.059 -0.121 1.00 0.00 H new ATOM 0 HG22 ILE A 83 11.492 0.135 0.206 1.00 0.00 H new ATOM 0 HG23 ILE A 83 11.630 -0.956 -1.194 1.00 0.00 H new ATOM 0 HD11 ILE A 83 10.079 -4.786 0.597 1.00 0.00 H new ATOM 0 HD12 ILE A 83 10.479 -3.795 2.020 1.00 0.00 H new ATOM 0 HD13 ILE A 83 9.520 -3.099 0.692 1.00 0.00 H new ATOM 1203 N GLN A 84 14.262 0.665 0.398 1.00 0.00 N ATOM 1204 CA GLN A 84 14.562 2.029 0.793 1.00 0.00 C ATOM 1205 C GLN A 84 13.364 2.905 0.437 1.00 0.00 C ATOM 1206 O GLN A 84 12.823 2.817 -0.668 1.00 0.00 O ATOM 1207 CB GLN A 84 15.831 2.494 0.052 1.00 0.00 C ATOM 1208 CG GLN A 84 16.256 3.946 0.345 1.00 0.00 C ATOM 1209 CD GLN A 84 16.753 4.138 1.777 1.00 0.00 C ATOM 1210 OE1 GLN A 84 17.785 3.611 2.162 1.00 0.00 O ATOM 1211 NE2 GLN A 84 16.052 4.900 2.603 1.00 0.00 N ATOM 0 H GLN A 84 14.336 0.508 -0.607 1.00 0.00 H new ATOM 0 HA GLN A 84 14.745 2.099 1.865 1.00 0.00 H new ATOM 0 HB2 GLN A 84 16.653 1.829 0.317 1.00 0.00 H new ATOM 0 HB3 GLN A 84 15.668 2.388 -1.020 1.00 0.00 H new ATOM 0 HG2 GLN A 84 17.043 4.237 -0.350 1.00 0.00 H new ATOM 0 HG3 GLN A 84 15.411 4.611 0.166 1.00 0.00 H new ATOM 0 HE21 GLN A 84 15.190 5.341 2.282 1.00 0.00 H new ATOM 0 HE22 GLN A 84 16.374 5.046 3.560 1.00 0.00 H new ATOM 1220 N SER A 85 12.956 3.760 1.374 1.00 0.00 N ATOM 1221 CA SER A 85 11.929 4.766 1.164 1.00 0.00 C ATOM 1222 C SER A 85 12.655 6.110 1.148 1.00 0.00 C ATOM 1223 O SER A 85 13.612 6.293 1.914 1.00 0.00 O ATOM 1224 CB SER A 85 10.802 4.676 2.200 1.00 0.00 C ATOM 1225 OG SER A 85 11.237 5.008 3.497 1.00 0.00 O ATOM 0 H SER A 85 13.342 3.769 2.318 1.00 0.00 H new ATOM 0 HA SER A 85 11.407 4.616 0.219 1.00 0.00 H new ATOM 0 HB2 SER A 85 9.991 5.344 1.910 1.00 0.00 H new ATOM 0 HB3 SER A 85 10.396 3.665 2.204 1.00 0.00 H new ATOM 0 HG SER A 85 11.980 4.423 3.753 1.00 0.00 H new ATOM 1231 N GLN A 86 12.228 7.035 0.290 1.00 0.00 N ATOM 1232 CA GLN A 86 12.893 8.317 0.075 1.00 0.00 C ATOM 1233 C GLN A 86 11.888 9.466 0.163 1.00 0.00 C ATOM 1234 O GLN A 86 10.722 9.280 -0.181 1.00 0.00 O ATOM 1235 CB GLN A 86 13.614 8.274 -1.285 1.00 0.00 C ATOM 1236 CG GLN A 86 12.659 8.220 -2.492 1.00 0.00 C ATOM 1237 CD GLN A 86 13.223 7.387 -3.637 1.00 0.00 C ATOM 1238 OE1 GLN A 86 14.100 7.826 -4.367 1.00 0.00 O ATOM 1239 NE2 GLN A 86 12.735 6.170 -3.815 1.00 0.00 N ATOM 0 H GLN A 86 11.395 6.911 -0.285 1.00 0.00 H new ATOM 0 HA GLN A 86 13.634 8.495 0.855 1.00 0.00 H new ATOM 0 HB2 GLN A 86 14.251 9.154 -1.376 1.00 0.00 H new ATOM 0 HB3 GLN A 86 14.268 7.403 -1.312 1.00 0.00 H new ATOM 0 HG2 GLN A 86 11.703 7.802 -2.178 1.00 0.00 H new ATOM 0 HG3 GLN A 86 12.464 9.233 -2.844 1.00 0.00 H new ATOM 0 HE21 GLN A 86 12.003 5.818 -3.197 1.00 0.00 H new ATOM 0 HE22 GLN A 86 13.090 5.583 -4.570 1.00 0.00 H new ATOM 1248 N MET A 87 12.316 10.647 0.605 1.00 0.00 N ATOM 1249 CA MET A 87 11.461 11.831 0.601 1.00 0.00 C ATOM 1250 C MET A 87 11.067 12.208 -0.842 1.00 0.00 C ATOM 1251 O MET A 87 11.675 11.736 -1.803 1.00 0.00 O ATOM 1252 CB MET A 87 12.151 12.969 1.379 1.00 0.00 C ATOM 1253 CG MET A 87 13.392 13.558 0.699 1.00 0.00 C ATOM 1254 SD MET A 87 13.030 14.767 -0.607 1.00 0.00 S ATOM 1255 CE MET A 87 14.685 14.999 -1.298 1.00 0.00 C ATOM 0 H MET A 87 13.254 10.809 0.972 1.00 0.00 H new ATOM 0 HA MET A 87 10.524 11.624 1.117 1.00 0.00 H new ATOM 0 HB2 MET A 87 11.429 13.769 1.539 1.00 0.00 H new ATOM 0 HB3 MET A 87 12.437 12.596 2.362 1.00 0.00 H new ATOM 0 HG2 MET A 87 14.014 14.035 1.456 1.00 0.00 H new ATOM 0 HG3 MET A 87 13.978 12.744 0.272 1.00 0.00 H new ATOM 0 HE1 MET A 87 14.640 15.717 -2.117 1.00 0.00 H new ATOM 0 HE2 MET A 87 15.354 15.374 -0.523 1.00 0.00 H new ATOM 0 HE3 MET A 87 15.060 14.046 -1.671 1.00 0.00 H new ATOM 1265 N LEU A 88 10.062 13.076 -1.002 1.00 0.00 N ATOM 1266 CA LEU A 88 9.617 13.603 -2.294 1.00 0.00 C ATOM 1267 C LEU A 88 9.426 15.107 -2.180 1.00 0.00 C ATOM 1268 O LEU A 88 9.517 15.671 -1.085 1.00 0.00 O ATOM 1269 CB LEU A 88 8.274 13.023 -2.760 1.00 0.00 C ATOM 1270 CG LEU A 88 8.147 11.496 -2.653 1.00 0.00 C ATOM 1271 CD1 LEU A 88 7.406 11.133 -1.372 1.00 0.00 C ATOM 1272 CD2 LEU A 88 7.332 10.976 -3.830 1.00 0.00 C ATOM 0 H LEU A 88 9.523 13.440 -0.216 1.00 0.00 H new ATOM 0 HA LEU A 88 10.386 13.325 -3.015 1.00 0.00 H new ATOM 0 HB2 LEU A 88 7.477 13.480 -2.174 1.00 0.00 H new ATOM 0 HB3 LEU A 88 8.112 13.313 -3.798 1.00 0.00 H new ATOM 0 HG LEU A 88 9.144 11.056 -2.651 1.00 0.00 H new ATOM 0 HD11 LEU A 88 7.317 10.049 -1.298 1.00 0.00 H new ATOM 0 HD12 LEU A 88 7.959 11.511 -0.512 1.00 0.00 H new ATOM 0 HD13 LEU A 88 6.411 11.579 -1.388 1.00 0.00 H new ATOM 0 HD21 LEU A 88 7.239 9.892 -3.758 1.00 0.00 H new ATOM 0 HD22 LEU A 88 6.340 11.427 -3.813 1.00 0.00 H new ATOM 0 HD23 LEU A 88 7.833 11.236 -4.763 1.00 0.00 H new ATOM 1284 N SER A 89 9.045 15.737 -3.289 1.00 0.00 N ATOM 1285 CA SER A 89 8.683 17.133 -3.363 1.00 0.00 C ATOM 1286 C SER A 89 7.183 17.282 -3.647 1.00 0.00 C ATOM 1287 O SER A 89 6.780 17.327 -4.805 1.00 0.00 O ATOM 1288 CB SER A 89 9.579 17.843 -4.393 1.00 0.00 C ATOM 1289 OG SER A 89 9.738 17.081 -5.578 1.00 0.00 O ATOM 0 H SER A 89 8.981 15.263 -4.190 1.00 0.00 H new ATOM 0 HA SER A 89 8.856 17.621 -2.404 1.00 0.00 H new ATOM 0 HB2 SER A 89 9.147 18.812 -4.641 1.00 0.00 H new ATOM 0 HB3 SER A 89 10.557 18.034 -3.951 1.00 0.00 H new ATOM 0 HG SER A 89 10.312 17.568 -6.206 1.00 0.00 H new ATOM 1295 N ARG A 90 6.369 17.292 -2.581 1.00 0.00 N ATOM 1296 CA ARG A 90 4.928 17.565 -2.631 1.00 0.00 C ATOM 1297 C ARG A 90 4.083 16.638 -3.514 1.00 0.00 C ATOM 1298 O ARG A 90 3.484 17.099 -4.487 1.00 0.00 O ATOM 1299 CB ARG A 90 4.743 19.070 -2.929 1.00 0.00 C ATOM 1300 CG ARG A 90 3.328 19.608 -2.639 1.00 0.00 C ATOM 1301 CD ARG A 90 2.800 20.479 -3.787 1.00 0.00 C ATOM 1302 NE ARG A 90 2.603 19.661 -4.988 1.00 0.00 N ATOM 1303 CZ ARG A 90 2.289 20.043 -6.222 1.00 0.00 C ATOM 1304 NH1 ARG A 90 2.129 21.325 -6.526 1.00 0.00 N ATOM 1305 NH2 ARG A 90 2.124 19.107 -7.149 1.00 0.00 N ATOM 0 H ARG A 90 6.705 17.105 -1.636 1.00 0.00 H new ATOM 0 HA ARG A 90 4.513 17.321 -1.653 1.00 0.00 H new ATOM 0 HB2 ARG A 90 5.462 19.636 -2.337 1.00 0.00 H new ATOM 0 HB3 ARG A 90 4.980 19.252 -3.977 1.00 0.00 H new ATOM 0 HG2 ARG A 90 2.648 18.772 -2.476 1.00 0.00 H new ATOM 0 HG3 ARG A 90 3.343 20.191 -1.718 1.00 0.00 H new ATOM 0 HD2 ARG A 90 1.859 20.946 -3.497 1.00 0.00 H new ATOM 0 HD3 ARG A 90 3.504 21.284 -3.997 1.00 0.00 H new ATOM 0 HE ARG A 90 2.724 18.657 -4.858 1.00 0.00 H new ATOM 0 HH11 ARG A 90 2.247 22.038 -5.807 1.00 0.00 H new ATOM 0 HH12 ARG A 90 1.888 21.597 -7.479 1.00 0.00 H new ATOM 0 HH21 ARG A 90 2.238 18.123 -6.906 1.00 0.00 H new ATOM 0 HH22 ARG A 90 1.883 19.372 -8.104 1.00 0.00 H new ATOM 1319 N TRP A 91 4.022 15.331 -3.249 1.00 0.00 N ATOM 1320 CA TRP A 91 3.184 14.457 -4.068 1.00 0.00 C ATOM 1321 C TRP A 91 1.749 14.535 -3.545 1.00 0.00 C ATOM 1322 O TRP A 91 1.396 13.994 -2.490 1.00 0.00 O ATOM 1323 CB TRP A 91 3.692 13.013 -4.072 1.00 0.00 C ATOM 1324 CG TRP A 91 3.444 12.264 -5.348 1.00 0.00 C ATOM 1325 CD1 TRP A 91 2.264 11.786 -5.805 1.00 0.00 C ATOM 1326 CD2 TRP A 91 4.427 11.877 -6.343 1.00 0.00 C ATOM 1327 NE1 TRP A 91 2.460 11.111 -6.999 1.00 0.00 N ATOM 1328 CE2 TRP A 91 3.790 11.123 -7.367 1.00 0.00 C ATOM 1329 CE3 TRP A 91 5.813 12.073 -6.450 1.00 0.00 C ATOM 1330 CZ2 TRP A 91 4.513 10.577 -8.440 1.00 0.00 C ATOM 1331 CZ3 TRP A 91 6.562 11.443 -7.452 1.00 0.00 C ATOM 1332 CH2 TRP A 91 5.914 10.710 -8.463 1.00 0.00 C ATOM 0 H TRP A 91 4.528 14.866 -2.495 1.00 0.00 H new ATOM 0 HA TRP A 91 3.222 14.796 -5.103 1.00 0.00 H new ATOM 0 HB2 TRP A 91 4.764 13.019 -3.873 1.00 0.00 H new ATOM 0 HB3 TRP A 91 3.218 12.473 -3.252 1.00 0.00 H new ATOM 0 HD1 TRP A 91 1.311 11.912 -5.313 1.00 0.00 H new ATOM 0 HE1 TRP A 91 1.718 10.663 -7.536 1.00 0.00 H new ATOM 0 HE3 TRP A 91 6.312 12.722 -5.746 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 4.000 10.061 -9.238 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 7.639 11.520 -7.448 1.00 0.00 H new ATOM 0 HH2 TRP A 91 6.489 10.251 -9.254 1.00 0.00 H new ATOM 1343 N SER A 92 0.873 15.189 -4.306 1.00 0.00 N ATOM 1344 CA SER A 92 -0.496 15.447 -3.882 1.00 0.00 C ATOM 1345 C SER A 92 -1.397 14.201 -4.045 1.00 0.00 C ATOM 1346 O SER A 92 -2.592 14.327 -4.286 1.00 0.00 O ATOM 1347 CB SER A 92 -1.012 16.661 -4.665 1.00 0.00 C ATOM 1348 OG SER A 92 -0.123 17.750 -4.476 1.00 0.00 O ATOM 0 H SER A 92 1.095 15.553 -5.232 1.00 0.00 H new ATOM 0 HA SER A 92 -0.521 15.672 -2.816 1.00 0.00 H new ATOM 0 HB2 SER A 92 -1.089 16.419 -5.725 1.00 0.00 H new ATOM 0 HB3 SER A 92 -2.012 16.929 -4.325 1.00 0.00 H new ATOM 0 HG SER A 92 -0.448 18.528 -4.976 1.00 0.00 H new ATOM 1354 N ALA A 93 -0.848 12.999 -3.856 1.00 0.00 N ATOM 1355 CA ALA A 93 -1.505 11.706 -3.842 1.00 0.00 C ATOM 1356 C ALA A 93 -0.597 10.813 -2.995 1.00 0.00 C ATOM 1357 O ALA A 93 0.520 10.501 -3.414 1.00 0.00 O ATOM 1358 CB ALA A 93 -1.681 11.173 -5.270 1.00 0.00 C ATOM 0 H ALA A 93 0.155 12.906 -3.696 1.00 0.00 H new ATOM 0 HA ALA A 93 -2.511 11.749 -3.425 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -2.176 10.202 -5.238 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -2.288 11.871 -5.847 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -0.704 11.067 -5.742 1.00 0.00 H new ATOM 1364 N SER A 94 -1.007 10.484 -1.774 1.00 0.00 N ATOM 1365 CA SER A 94 -0.267 9.606 -0.866 1.00 0.00 C ATOM 1366 C SER A 94 -1.210 8.568 -0.237 1.00 0.00 C ATOM 1367 O SER A 94 -2.414 8.573 -0.509 1.00 0.00 O ATOM 1368 CB SER A 94 0.479 10.464 0.170 1.00 0.00 C ATOM 1369 OG SER A 94 1.397 11.347 -0.466 1.00 0.00 O ATOM 0 H SER A 94 -1.882 10.827 -1.377 1.00 0.00 H new ATOM 0 HA SER A 94 0.483 9.035 -1.413 1.00 0.00 H new ATOM 0 HB2 SER A 94 -0.238 11.039 0.756 1.00 0.00 H new ATOM 0 HB3 SER A 94 1.013 9.817 0.866 1.00 0.00 H new ATOM 0 HG SER A 94 0.903 12.008 -0.994 1.00 0.00 H new ATOM 1375 N PHE A 95 -0.676 7.625 0.537 1.00 0.00 N ATOM 1376 CA PHE A 95 -1.422 6.564 1.195 1.00 0.00 C ATOM 1377 C PHE A 95 -0.629 5.991 2.369 1.00 0.00 C ATOM 1378 O PHE A 95 0.508 6.390 2.607 1.00 0.00 O ATOM 1379 CB PHE A 95 -1.787 5.474 0.160 1.00 0.00 C ATOM 1380 CG PHE A 95 -0.656 4.610 -0.377 1.00 0.00 C ATOM 1381 CD1 PHE A 95 0.074 5.004 -1.516 1.00 0.00 C ATOM 1382 CD2 PHE A 95 -0.397 3.356 0.209 1.00 0.00 C ATOM 1383 CE1 PHE A 95 1.042 4.145 -2.070 1.00 0.00 C ATOM 1384 CE2 PHE A 95 0.545 2.486 -0.364 1.00 0.00 C ATOM 1385 CZ PHE A 95 1.262 2.876 -1.509 1.00 0.00 C ATOM 0 H PHE A 95 0.325 7.581 0.728 1.00 0.00 H new ATOM 0 HA PHE A 95 -2.346 6.971 1.605 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -2.528 4.815 0.612 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -2.269 5.962 -0.687 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -0.110 5.969 -1.966 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -0.925 3.062 1.104 1.00 0.00 H new ATOM 0 HE1 PHE A 95 1.616 4.462 -2.928 1.00 0.00 H new ATOM 0 HE2 PHE A 95 0.719 1.515 0.076 1.00 0.00 H new ATOM 0 HZ PHE A 95 1.979 2.203 -1.955 1.00 0.00 H new ATOM 1395 N THR A 96 -1.241 5.085 3.126 1.00 0.00 N ATOM 1396 CA THR A 96 -0.631 4.323 4.197 1.00 0.00 C ATOM 1397 C THR A 96 -1.298 2.947 4.155 1.00 0.00 C ATOM 1398 O THR A 96 -2.487 2.827 3.860 1.00 0.00 O ATOM 1399 CB THR A 96 -0.727 5.059 5.544 1.00 0.00 C ATOM 1400 OG1 THR A 96 0.221 4.498 6.425 1.00 0.00 O ATOM 1401 CG2 THR A 96 -2.111 5.047 6.194 1.00 0.00 C ATOM 0 H THR A 96 -2.226 4.855 2.998 1.00 0.00 H new ATOM 0 HA THR A 96 0.445 4.200 4.069 1.00 0.00 H new ATOM 0 HB THR A 96 -0.524 6.110 5.337 1.00 0.00 H new ATOM 0 HG1 THR A 96 1.124 4.749 6.137 1.00 0.00 H new ATOM 0 HG21 THR A 96 -2.074 5.591 7.138 1.00 0.00 H new ATOM 0 HG22 THR A 96 -2.830 5.524 5.528 1.00 0.00 H new ATOM 0 HG23 THR A 96 -2.417 4.017 6.380 1.00 0.00 H new ATOM 1409 N VAL A 97 -0.515 1.884 4.287 1.00 0.00 N ATOM 1410 CA VAL A 97 -1.005 0.518 4.166 1.00 0.00 C ATOM 1411 C VAL A 97 -1.070 -0.175 5.537 1.00 0.00 C ATOM 1412 O VAL A 97 -0.318 0.180 6.449 1.00 0.00 O ATOM 1413 CB VAL A 97 -0.214 -0.131 3.025 1.00 0.00 C ATOM 1414 CG1 VAL A 97 1.275 -0.313 3.296 1.00 0.00 C ATOM 1415 CG2 VAL A 97 -0.817 -1.455 2.609 1.00 0.00 C ATOM 0 H VAL A 97 0.484 1.946 4.482 1.00 0.00 H new ATOM 0 HA VAL A 97 -2.050 0.436 3.869 1.00 0.00 H new ATOM 0 HB VAL A 97 -0.292 0.588 2.210 1.00 0.00 H new ATOM 0 HG11 VAL A 97 1.748 -0.779 2.432 1.00 0.00 H new ATOM 0 HG12 VAL A 97 1.733 0.659 3.480 1.00 0.00 H new ATOM 0 HG13 VAL A 97 1.411 -0.949 4.171 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -0.228 -1.884 1.798 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -0.816 -2.138 3.458 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -1.841 -1.298 2.270 1.00 0.00 H new ATOM 1425 N THR A 98 -1.953 -1.164 5.679 1.00 0.00 N ATOM 1426 CA THR A 98 -2.225 -1.928 6.893 1.00 0.00 C ATOM 1427 C THR A 98 -2.480 -3.407 6.540 1.00 0.00 C ATOM 1428 O THR A 98 -2.521 -3.758 5.356 1.00 0.00 O ATOM 1429 CB THR A 98 -3.402 -1.286 7.667 1.00 0.00 C ATOM 1430 OG1 THR A 98 -4.503 -0.943 6.838 1.00 0.00 O ATOM 1431 CG2 THR A 98 -2.973 -0.002 8.385 1.00 0.00 C ATOM 0 H THR A 98 -2.533 -1.471 4.898 1.00 0.00 H new ATOM 0 HA THR A 98 -1.357 -1.903 7.551 1.00 0.00 H new ATOM 0 HB THR A 98 -3.708 -2.054 8.378 1.00 0.00 H new ATOM 0 HG1 THR A 98 -4.346 -1.277 5.930 1.00 0.00 H new ATOM 0 HG21 THR A 98 -3.826 0.420 8.917 1.00 0.00 H new ATOM 0 HG22 THR A 98 -2.179 -0.231 9.096 1.00 0.00 H new ATOM 0 HG23 THR A 98 -2.609 0.720 7.654 1.00 0.00 H new ATOM 1439 N LEU A 99 -2.646 -4.273 7.549 1.00 0.00 N ATOM 1440 CA LEU A 99 -2.938 -5.701 7.361 1.00 0.00 C ATOM 1441 C LEU A 99 -4.382 -5.858 6.905 1.00 0.00 C ATOM 1442 O LEU A 99 -5.214 -5.030 7.278 1.00 0.00 O ATOM 1443 CB LEU A 99 -2.809 -6.470 8.680 1.00 0.00 C ATOM 1444 CG LEU A 99 -1.410 -6.436 9.297 1.00 0.00 C ATOM 1445 CD1 LEU A 99 -1.429 -7.240 10.581 1.00 0.00 C ATOM 1446 CD2 LEU A 99 -0.332 -7.013 8.382 1.00 0.00 C ATOM 0 H LEU A 99 -2.581 -3.999 8.529 1.00 0.00 H new ATOM 0 HA LEU A 99 -2.231 -6.091 6.629 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -3.519 -6.059 9.397 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -3.093 -7.509 8.510 1.00 0.00 H new ATOM 0 HG LEU A 99 -1.161 -5.389 9.471 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -0.438 -7.226 11.034 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -2.150 -6.804 11.272 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -1.713 -8.269 10.362 1.00 0.00 H new ATOM 0 HD21 LEU A 99 0.636 -6.958 8.880 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -0.565 -8.053 8.156 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -0.296 -6.440 7.456 1.00 0.00 H new ATOM 1458 N GLU A 100 -4.685 -6.931 6.173 1.00 0.00 N ATOM 1459 CA GLU A 100 -6.047 -7.255 5.772 1.00 0.00 C ATOM 1460 C GLU A 100 -6.640 -8.116 6.877 1.00 0.00 C ATOM 1461 O GLU A 100 -6.129 -9.240 7.063 1.00 0.00 O ATOM 1462 CB GLU A 100 -6.046 -7.963 4.407 1.00 0.00 C ATOM 1463 CG GLU A 100 -7.382 -7.898 3.643 1.00 0.00 C ATOM 1464 CD GLU A 100 -8.558 -8.628 4.311 1.00 0.00 C ATOM 1465 OE1 GLU A 100 -8.615 -9.882 4.224 1.00 0.00 O ATOM 1466 OE2 GLU A 100 -9.472 -7.956 4.860 1.00 0.00 O ATOM 1467 OXT GLU A 100 -7.524 -7.644 7.620 1.00 0.00 O ATOM 0 H GLU A 100 -3.988 -7.599 5.843 1.00 0.00 H new ATOM 0 HA GLU A 100 -6.655 -6.359 5.645 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -5.267 -7.522 3.786 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -5.780 -9.009 4.557 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -7.655 -6.851 3.510 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -7.233 -8.318 2.648 1.00 0.00 H new TER 1474 GLU A 100