USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 627 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 Single : A 1 MET CE :methyl 161:sc= -0.0288 (180deg=-0.371) USER MOD Single : A 1 MET N :NH3+ 164:sc= -0.795! (180deg=-1.38!) USER MOD Single : A 2 GLN : amide:sc= -0.421 X(o=-0.42,f=-0.81!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot -150:sc= -0.682 USER MOD Single : A 9 THR OG1 : rot -37:sc= 0.486 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -110:sc= 0.751 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0914 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0835) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.0992 K(o=-0.099,f=-1.5!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -1.11 X(o=-1.1,f=-1.1) USER MOD Single : A 41 GLN : amide:sc= -1.5 K(o=-1.5,f=-7.2!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc=-0.000307 X(o=-0.00031,f=-0.044) USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.647 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 90:sc= 0.242 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= -0.807 K(o=-0.81,f=0.21) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -79:sc= -4.48! USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.296 -5.468 4.073 1.00 0.00 N ATOM 2 CA MET A 1 -12.453 -4.863 5.384 1.00 0.00 C ATOM 3 C MET A 1 -11.657 -3.559 5.485 1.00 0.00 C ATOM 4 O MET A 1 -11.118 -3.078 4.490 1.00 0.00 O ATOM 5 CB MET A 1 -11.971 -5.840 6.459 1.00 0.00 C ATOM 6 CG MET A 1 -10.464 -6.076 6.348 1.00 0.00 C ATOM 7 SD MET A 1 -9.948 -7.298 7.543 1.00 0.00 S ATOM 8 CE MET A 1 -10.550 -8.780 6.751 1.00 0.00 C ATOM 0 H1 MET A 1 -12.608 -6.460 4.109 1.00 0.00 H new ATOM 0 H2 MET A 1 -12.872 -4.949 3.380 1.00 0.00 H new ATOM 0 H3 MET A 1 -11.296 -5.430 3.790 1.00 0.00 H new ATOM 0 HA MET A 1 -13.508 -4.636 5.534 1.00 0.00 H new ATOM 0 HB2 MET A 1 -12.209 -5.446 7.447 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.500 -6.788 6.358 1.00 0.00 H new ATOM 0 HG2 MET A 1 -10.213 -6.411 5.342 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.928 -5.142 6.516 1.00 0.00 H new ATOM 0 HE1 MET A 1 -10.038 -9.648 7.166 1.00 0.00 H new ATOM 0 HE2 MET A 1 -11.622 -8.875 6.923 1.00 0.00 H new ATOM 0 HE3 MET A 1 -10.358 -8.724 5.680 1.00 0.00 H new ATOM 18 N GLN A 2 -11.610 -3.024 6.696 1.00 0.00 N ATOM 19 CA GLN A 2 -10.890 -1.786 6.940 1.00 0.00 C ATOM 20 C GLN A 2 -9.430 -2.080 7.286 1.00 0.00 C ATOM 21 O GLN A 2 -9.123 -3.123 7.863 1.00 0.00 O ATOM 22 CB GLN A 2 -11.563 -0.969 8.045 1.00 0.00 C ATOM 23 CG GLN A 2 -10.762 0.297 8.355 1.00 0.00 C ATOM 24 CD GLN A 2 -11.428 1.108 9.469 1.00 0.00 C ATOM 25 OE1 GLN A 2 -11.013 1.092 10.617 1.00 0.00 O ATOM 26 NE2 GLN A 2 -12.479 1.817 9.067 1.00 0.00 N ATOM 0 H GLN A 2 -12.059 -3.425 7.519 1.00 0.00 H new ATOM 0 HA GLN A 2 -10.913 -1.189 6.028 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -12.573 -0.699 7.738 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -11.655 -1.575 8.946 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -9.749 0.027 8.653 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -10.678 0.908 7.456 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -12.773 1.785 8.091 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -12.991 2.393 9.735 1.00 0.00 H new ATOM 35 N ILE A 3 -8.567 -1.144 6.920 1.00 0.00 N ATOM 36 CA ILE A 3 -7.146 -1.290 7.186 1.00 0.00 C ATOM 37 C ILE A 3 -6.536 0.089 7.446 1.00 0.00 C ATOM 38 O ILE A 3 -7.134 1.110 7.111 1.00 0.00 O ATOM 39 CB ILE A 3 -6.466 -2.060 6.052 1.00 0.00 C ATOM 40 CG1 ILE A 3 -6.204 -1.149 4.851 1.00 0.00 C ATOM 41 CG2 ILE A 3 -7.278 -3.298 5.666 1.00 0.00 C ATOM 42 CD1 ILE A 3 -7.494 -0.470 4.386 1.00 0.00 C ATOM 0 H ILE A 3 -8.825 -0.281 6.441 1.00 0.00 H new ATOM 0 HA ILE A 3 -6.985 -1.884 8.085 1.00 0.00 H new ATOM 0 HB ILE A 3 -5.497 -2.409 6.409 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -5.466 -0.392 5.118 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -5.781 -1.732 4.033 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -6.773 -3.827 4.858 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -7.370 -3.957 6.530 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -8.271 -2.993 5.335 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -7.280 0.172 3.531 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -8.221 -1.229 4.097 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -7.902 0.132 5.198 1.00 0.00 H new ATOM 54 N PHE A 4 -5.352 0.074 8.042 1.00 0.00 N ATOM 55 CA PHE A 4 -4.655 1.310 8.351 1.00 0.00 C ATOM 56 C PHE A 4 -3.309 1.377 7.623 1.00 0.00 C ATOM 57 O PHE A 4 -2.353 0.711 8.017 1.00 0.00 O ATOM 58 CB PHE A 4 -4.405 1.317 9.861 1.00 0.00 C ATOM 59 CG PHE A 4 -5.664 1.557 10.697 1.00 0.00 C ATOM 60 CD1 PHE A 4 -6.719 0.706 10.597 1.00 0.00 C ATOM 61 CD2 PHE A 4 -5.725 2.621 11.542 1.00 0.00 C ATOM 62 CE1 PHE A 4 -7.888 0.930 11.373 1.00 0.00 C ATOM 63 CE2 PHE A 4 -6.892 2.844 12.319 1.00 0.00 C ATOM 64 CZ PHE A 4 -7.949 1.994 12.218 1.00 0.00 C ATOM 0 H PHE A 4 -4.859 -0.775 8.319 1.00 0.00 H new ATOM 0 HA PHE A 4 -5.253 2.164 8.033 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -3.965 0.363 10.151 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -3.673 2.090 10.095 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -6.669 -0.140 9.928 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -4.886 3.296 11.622 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -8.728 0.256 11.292 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -6.941 3.689 12.990 1.00 0.00 H new ATOM 0 HZ PHE A 4 -8.837 2.164 12.809 1.00 0.00 H new ATOM 74 N VAL A 5 -3.280 2.187 6.575 1.00 0.00 N ATOM 75 CA VAL A 5 -2.068 2.349 5.790 1.00 0.00 C ATOM 76 C VAL A 5 -1.284 3.554 6.314 1.00 0.00 C ATOM 77 O VAL A 5 -1.872 4.521 6.796 1.00 0.00 O ATOM 78 CB VAL A 5 -2.420 2.464 4.304 1.00 0.00 C ATOM 79 CG1 VAL A 5 -2.843 3.891 3.950 1.00 0.00 C ATOM 80 CG2 VAL A 5 -1.253 2.005 3.429 1.00 0.00 C ATOM 0 H VAL A 5 -4.075 2.738 6.251 1.00 0.00 H new ATOM 0 HA VAL A 5 -1.426 1.474 5.892 1.00 0.00 H new ATOM 0 HB VAL A 5 -3.266 1.806 4.107 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -3.088 3.945 2.889 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -3.718 4.168 4.539 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -2.026 4.578 4.170 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -1.528 2.096 2.378 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -0.380 2.626 3.631 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -1.017 0.965 3.653 1.00 0.00 H new ATOM 90 N LYS A 6 0.033 3.455 6.202 1.00 0.00 N ATOM 91 CA LYS A 6 0.904 4.525 6.658 1.00 0.00 C ATOM 92 C LYS A 6 1.479 5.262 5.446 1.00 0.00 C ATOM 93 O LYS A 6 1.619 4.681 4.371 1.00 0.00 O ATOM 94 CB LYS A 6 1.972 3.976 7.608 1.00 0.00 C ATOM 95 CG LYS A 6 1.838 4.598 9.000 1.00 0.00 C ATOM 96 CD LYS A 6 3.169 4.544 9.754 1.00 0.00 C ATOM 97 CE LYS A 6 3.176 3.400 10.771 1.00 0.00 C ATOM 98 NZ LYS A 6 3.656 3.880 12.087 1.00 0.00 N ATOM 0 H LYS A 6 0.517 2.651 5.803 1.00 0.00 H new ATOM 0 HA LYS A 6 0.339 5.256 7.236 1.00 0.00 H new ATOM 0 HB2 LYS A 6 1.878 2.892 7.679 1.00 0.00 H new ATOM 0 HB3 LYS A 6 2.964 4.185 7.206 1.00 0.00 H new ATOM 0 HG2 LYS A 6 1.509 5.633 8.910 1.00 0.00 H new ATOM 0 HG3 LYS A 6 1.073 4.068 9.567 1.00 0.00 H new ATOM 0 HD2 LYS A 6 3.987 4.411 9.046 1.00 0.00 H new ATOM 0 HD3 LYS A 6 3.340 5.491 10.265 1.00 0.00 H new ATOM 0 HE2 LYS A 6 2.172 2.989 10.871 1.00 0.00 H new ATOM 0 HE3 LYS A 6 3.817 2.593 10.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 3.655 3.092 12.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 4.623 4.251 11.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 3.028 4.634 12.431 1.00 0.00 H new ATOM 112 N THR A 7 1.796 6.530 5.661 1.00 0.00 N ATOM 113 CA THR A 7 2.352 7.352 4.600 1.00 0.00 C ATOM 114 C THR A 7 3.871 7.459 4.749 1.00 0.00 C ATOM 115 O THR A 7 4.422 7.110 5.791 1.00 0.00 O ATOM 116 CB THR A 7 1.641 8.706 4.629 1.00 0.00 C ATOM 117 OG1 THR A 7 0.265 8.373 4.792 1.00 0.00 O ATOM 118 CG2 THR A 7 1.693 9.424 3.279 1.00 0.00 C ATOM 0 H THR A 7 1.678 7.008 6.554 1.00 0.00 H new ATOM 0 HA THR A 7 2.184 6.902 3.621 1.00 0.00 H new ATOM 0 HB THR A 7 2.094 9.337 5.393 1.00 0.00 H new ATOM 0 HG1 THR A 7 -0.290 9.058 4.365 1.00 0.00 H new ATOM 0 HG21 THR A 7 1.174 10.379 3.355 1.00 0.00 H new ATOM 0 HG22 THR A 7 2.732 9.597 2.999 1.00 0.00 H new ATOM 0 HG23 THR A 7 1.210 8.808 2.520 1.00 0.00 H new ATOM 126 N LEU A 8 4.504 7.946 3.692 1.00 0.00 N ATOM 127 CA LEU A 8 5.949 8.104 3.692 1.00 0.00 C ATOM 128 C LEU A 8 6.344 9.132 4.755 1.00 0.00 C ATOM 129 O LEU A 8 7.519 9.254 5.098 1.00 0.00 O ATOM 130 CB LEU A 8 6.450 8.448 2.287 1.00 0.00 C ATOM 131 CG LEU A 8 7.937 8.198 2.026 1.00 0.00 C ATOM 132 CD1 LEU A 8 8.249 6.700 2.029 1.00 0.00 C ATOM 133 CD2 LEU A 8 8.387 8.875 0.731 1.00 0.00 C ATOM 0 H LEU A 8 4.043 8.236 2.830 1.00 0.00 H new ATOM 0 HA LEU A 8 6.436 7.166 3.958 1.00 0.00 H new ATOM 0 HB2 LEU A 8 5.872 7.870 1.565 1.00 0.00 H new ATOM 0 HB3 LEU A 8 6.239 9.500 2.095 1.00 0.00 H new ATOM 0 HG LEU A 8 8.508 8.647 2.839 1.00 0.00 H new ATOM 0 HD11 LEU A 8 9.312 6.549 1.841 1.00 0.00 H new ATOM 0 HD12 LEU A 8 7.988 6.276 2.999 1.00 0.00 H new ATOM 0 HD13 LEU A 8 7.669 6.206 1.249 1.00 0.00 H new ATOM 0 HD21 LEU A 8 9.447 8.682 0.569 1.00 0.00 H new ATOM 0 HD22 LEU A 8 7.814 8.477 -0.106 1.00 0.00 H new ATOM 0 HD23 LEU A 8 8.221 9.950 0.806 1.00 0.00 H new ATOM 145 N THR A 9 5.341 9.843 5.246 1.00 0.00 N ATOM 146 CA THR A 9 5.570 10.856 6.264 1.00 0.00 C ATOM 147 C THR A 9 5.197 10.317 7.646 1.00 0.00 C ATOM 148 O THR A 9 5.181 11.063 8.623 1.00 0.00 O ATOM 149 CB THR A 9 4.786 12.109 5.867 1.00 0.00 C ATOM 150 OG1 THR A 9 5.312 13.128 6.713 1.00 0.00 O ATOM 151 CG2 THR A 9 3.310 12.024 6.260 1.00 0.00 C ATOM 0 H THR A 9 4.368 9.739 4.959 1.00 0.00 H new ATOM 0 HA THR A 9 6.625 11.122 6.329 1.00 0.00 H new ATOM 0 HB THR A 9 4.867 12.263 4.791 1.00 0.00 H new ATOM 0 HG1 THR A 9 5.511 12.750 7.595 1.00 0.00 H new ATOM 0 HG21 THR A 9 2.799 12.938 5.956 1.00 0.00 H new ATOM 0 HG22 THR A 9 2.850 11.169 5.764 1.00 0.00 H new ATOM 0 HG23 THR A 9 3.227 11.905 7.340 1.00 0.00 H new ATOM 159 N GLY A 10 4.906 9.025 7.683 1.00 0.00 N ATOM 160 CA GLY A 10 4.533 8.377 8.930 1.00 0.00 C ATOM 161 C GLY A 10 3.113 8.763 9.346 1.00 0.00 C ATOM 162 O GLY A 10 2.768 8.698 10.524 1.00 0.00 O ATOM 0 H GLY A 10 4.921 8.409 6.870 1.00 0.00 H new ATOM 0 HA2 GLY A 10 4.601 7.295 8.816 1.00 0.00 H new ATOM 0 HA3 GLY A 10 5.235 8.659 9.715 1.00 0.00 H new ATOM 166 N LYS A 11 2.327 9.158 8.354 1.00 0.00 N ATOM 167 CA LYS A 11 0.952 9.555 8.602 1.00 0.00 C ATOM 168 C LYS A 11 0.063 8.309 8.633 1.00 0.00 C ATOM 169 O LYS A 11 0.375 7.305 7.994 1.00 0.00 O ATOM 170 CB LYS A 11 0.504 10.604 7.582 1.00 0.00 C ATOM 171 CG LYS A 11 -0.724 11.366 8.082 1.00 0.00 C ATOM 172 CD LYS A 11 -1.031 12.564 7.181 1.00 0.00 C ATOM 173 CE LYS A 11 -2.245 13.339 7.694 1.00 0.00 C ATOM 174 NZ LYS A 11 -1.845 14.284 8.761 1.00 0.00 N ATOM 0 H LYS A 11 2.617 9.211 7.378 1.00 0.00 H new ATOM 0 HA LYS A 11 0.865 10.034 9.577 1.00 0.00 H new ATOM 0 HB2 LYS A 11 1.318 11.304 7.393 1.00 0.00 H new ATOM 0 HB3 LYS A 11 0.274 10.119 6.633 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -1.585 10.698 8.110 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -0.553 11.708 9.103 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -0.165 13.224 7.140 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -1.218 12.220 6.164 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -2.709 13.885 6.872 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -2.992 12.644 8.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -2.682 14.802 9.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -1.423 13.756 9.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -1.149 14.959 8.384 1.00 0.00 H new ATOM 188 N THR A 12 -1.025 8.415 9.381 1.00 0.00 N ATOM 189 CA THR A 12 -1.960 7.310 9.503 1.00 0.00 C ATOM 190 C THR A 12 -3.202 7.566 8.649 1.00 0.00 C ATOM 191 O THR A 12 -3.943 8.518 8.894 1.00 0.00 O ATOM 192 CB THR A 12 -2.273 7.117 10.988 1.00 0.00 C ATOM 193 OG1 THR A 12 -1.064 6.594 11.533 1.00 0.00 O ATOM 194 CG2 THR A 12 -3.300 6.010 11.231 1.00 0.00 C ATOM 0 H THR A 12 -1.280 9.250 9.909 1.00 0.00 H new ATOM 0 HA THR A 12 -1.529 6.383 9.124 1.00 0.00 H new ATOM 0 HB THR A 12 -2.643 8.054 11.405 1.00 0.00 H new ATOM 0 HG1 THR A 12 -1.178 6.441 12.494 1.00 0.00 H new ATOM 0 HG21 THR A 12 -3.486 5.915 12.301 1.00 0.00 H new ATOM 0 HG22 THR A 12 -4.231 6.259 10.722 1.00 0.00 H new ATOM 0 HG23 THR A 12 -2.916 5.066 10.844 1.00 0.00 H new ATOM 202 N ILE A 13 -3.393 6.701 7.664 1.00 0.00 N ATOM 203 CA ILE A 13 -4.533 6.822 6.772 1.00 0.00 C ATOM 204 C ILE A 13 -5.317 5.507 6.772 1.00 0.00 C ATOM 205 O ILE A 13 -4.793 4.468 6.373 1.00 0.00 O ATOM 206 CB ILE A 13 -4.080 7.268 5.380 1.00 0.00 C ATOM 207 CG1 ILE A 13 -3.785 8.768 5.354 1.00 0.00 C ATOM 208 CG2 ILE A 13 -5.104 6.866 4.315 1.00 0.00 C ATOM 209 CD1 ILE A 13 -2.604 9.110 6.266 1.00 0.00 C ATOM 0 H ILE A 13 -2.777 5.913 7.464 1.00 0.00 H new ATOM 0 HA ILE A 13 -5.212 7.599 7.125 1.00 0.00 H new ATOM 0 HB ILE A 13 -3.149 6.753 5.142 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -3.564 9.081 4.334 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -4.668 9.322 5.673 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -4.758 7.195 3.335 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -5.221 5.782 4.314 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -6.063 7.334 4.537 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -2.415 10.183 6.229 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -2.838 8.818 7.290 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -1.717 8.573 5.929 1.00 0.00 H new ATOM 221 N THR A 14 -6.559 5.596 7.223 1.00 0.00 N ATOM 222 CA THR A 14 -7.420 4.427 7.280 1.00 0.00 C ATOM 223 C THR A 14 -8.340 4.382 6.059 1.00 0.00 C ATOM 224 O THR A 14 -8.797 5.419 5.583 1.00 0.00 O ATOM 225 CB THR A 14 -8.176 4.461 8.609 1.00 0.00 C ATOM 226 OG1 THR A 14 -7.175 4.784 9.571 1.00 0.00 O ATOM 227 CG2 THR A 14 -8.672 3.078 9.037 1.00 0.00 C ATOM 0 H THR A 14 -6.990 6.460 7.553 1.00 0.00 H new ATOM 0 HA THR A 14 -6.839 3.506 7.244 1.00 0.00 H new ATOM 0 HB THR A 14 -9.024 5.141 8.526 1.00 0.00 H new ATOM 0 HG1 THR A 14 -6.999 4.002 10.135 1.00 0.00 H new ATOM 0 HG21 THR A 14 -9.202 3.159 9.986 1.00 0.00 H new ATOM 0 HG22 THR A 14 -9.347 2.682 8.278 1.00 0.00 H new ATOM 0 HG23 THR A 14 -7.822 2.406 9.152 1.00 0.00 H new ATOM 235 N LEU A 15 -8.584 3.168 5.586 1.00 0.00 N ATOM 236 CA LEU A 15 -9.441 2.974 4.429 1.00 0.00 C ATOM 237 C LEU A 15 -10.356 1.772 4.674 1.00 0.00 C ATOM 238 O LEU A 15 -9.891 0.704 5.072 1.00 0.00 O ATOM 239 CB LEU A 15 -8.603 2.859 3.154 1.00 0.00 C ATOM 240 CG LEU A 15 -9.089 3.679 1.957 1.00 0.00 C ATOM 241 CD1 LEU A 15 -10.561 3.392 1.657 1.00 0.00 C ATOM 242 CD2 LEU A 15 -8.828 5.171 2.172 1.00 0.00 C ATOM 0 H LEU A 15 -8.203 2.309 5.983 1.00 0.00 H new ATOM 0 HA LEU A 15 -10.085 3.841 4.282 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -7.582 3.161 3.386 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -8.566 1.810 2.860 1.00 0.00 H new ATOM 0 HG LEU A 15 -8.517 3.375 1.080 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -10.881 3.988 0.802 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -10.686 2.333 1.429 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -11.166 3.650 2.526 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -9.183 5.731 1.307 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -9.356 5.508 3.064 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -7.758 5.339 2.299 1.00 0.00 H new ATOM 254 N GLU A 16 -11.640 1.985 4.425 1.00 0.00 N ATOM 255 CA GLU A 16 -12.624 0.932 4.614 1.00 0.00 C ATOM 256 C GLU A 16 -12.989 0.302 3.268 1.00 0.00 C ATOM 257 O GLU A 16 -13.563 0.963 2.404 1.00 0.00 O ATOM 258 CB GLU A 16 -13.868 1.466 5.326 1.00 0.00 C ATOM 259 CG GLU A 16 -14.279 2.829 4.764 1.00 0.00 C ATOM 260 CD GLU A 16 -13.713 3.966 5.617 1.00 0.00 C ATOM 261 OE1 GLU A 16 -12.569 4.377 5.326 1.00 0.00 O ATOM 262 OE2 GLU A 16 -14.437 4.399 6.539 1.00 0.00 O ATOM 0 H GLU A 16 -12.022 2.871 4.094 1.00 0.00 H new ATOM 0 HA GLU A 16 -12.187 0.161 5.248 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -14.689 0.759 5.211 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -13.670 1.554 6.394 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -13.922 2.926 3.739 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -15.366 2.900 4.731 1.00 0.00 H new ATOM 269 N VAL A 17 -12.642 -0.970 3.133 1.00 0.00 N ATOM 270 CA VAL A 17 -12.927 -1.697 1.908 1.00 0.00 C ATOM 271 C VAL A 17 -13.481 -3.080 2.258 1.00 0.00 C ATOM 272 O VAL A 17 -13.651 -3.406 3.431 1.00 0.00 O ATOM 273 CB VAL A 17 -11.674 -1.758 1.033 1.00 0.00 C ATOM 274 CG1 VAL A 17 -11.368 -0.392 0.416 1.00 0.00 C ATOM 275 CG2 VAL A 17 -10.476 -2.283 1.826 1.00 0.00 C ATOM 0 H VAL A 17 -12.166 -1.515 3.852 1.00 0.00 H new ATOM 0 HA VAL A 17 -13.689 -1.180 1.325 1.00 0.00 H new ATOM 0 HB VAL A 17 -11.868 -2.456 0.219 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -10.472 -0.464 -0.201 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -12.209 -0.075 -0.201 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -11.204 0.337 1.209 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -9.599 -2.316 1.180 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -10.280 -1.622 2.670 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -10.694 -3.286 2.194 1.00 0.00 H new ATOM 285 N GLU A 18 -13.746 -3.856 1.217 1.00 0.00 N ATOM 286 CA GLU A 18 -14.276 -5.197 1.400 1.00 0.00 C ATOM 287 C GLU A 18 -13.193 -6.240 1.120 1.00 0.00 C ATOM 288 O GLU A 18 -12.207 -5.949 0.445 1.00 0.00 O ATOM 289 CB GLU A 18 -15.501 -5.427 0.511 1.00 0.00 C ATOM 290 CG GLU A 18 -16.790 -5.065 1.251 1.00 0.00 C ATOM 291 CD GLU A 18 -17.029 -6.010 2.431 1.00 0.00 C ATOM 292 OE1 GLU A 18 -17.536 -7.122 2.173 1.00 0.00 O ATOM 293 OE2 GLU A 18 -16.700 -5.597 3.563 1.00 0.00 O ATOM 0 H GLU A 18 -13.604 -3.582 0.245 1.00 0.00 H new ATOM 0 HA GLU A 18 -14.594 -5.302 2.437 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -15.416 -4.826 -0.394 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -15.537 -6.471 0.199 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -16.731 -4.037 1.610 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -17.634 -5.115 0.564 1.00 0.00 H new ATOM 300 N PRO A 19 -13.418 -7.463 1.668 1.00 0.00 N ATOM 301 CA PRO A 19 -12.472 -8.551 1.485 1.00 0.00 C ATOM 302 C PRO A 19 -12.567 -9.128 0.071 1.00 0.00 C ATOM 303 O PRO A 19 -11.688 -9.873 -0.360 1.00 0.00 O ATOM 304 CB PRO A 19 -12.821 -9.562 2.564 1.00 0.00 C ATOM 305 CG PRO A 19 -14.233 -9.224 3.011 1.00 0.00 C ATOM 306 CD PRO A 19 -14.575 -7.844 2.473 1.00 0.00 C ATOM 0 HA PRO A 19 -11.436 -8.228 1.582 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -12.767 -10.580 2.178 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -12.122 -9.500 3.398 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -14.939 -9.965 2.637 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -14.303 -9.238 4.099 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -15.485 -7.867 1.873 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -14.745 -7.134 3.283 1.00 0.00 H new ATOM 314 N SER A 20 -13.642 -8.762 -0.612 1.00 0.00 N ATOM 315 CA SER A 20 -13.863 -9.234 -1.968 1.00 0.00 C ATOM 316 C SER A 20 -13.211 -8.278 -2.968 1.00 0.00 C ATOM 317 O SER A 20 -12.866 -8.677 -4.080 1.00 0.00 O ATOM 318 CB SER A 20 -15.358 -9.375 -2.265 1.00 0.00 C ATOM 319 OG SER A 20 -16.038 -8.126 -2.183 1.00 0.00 O ATOM 0 H SER A 20 -14.369 -8.144 -0.251 1.00 0.00 H new ATOM 0 HA SER A 20 -13.406 -10.219 -2.066 1.00 0.00 H new ATOM 0 HB2 SER A 20 -15.492 -9.796 -3.262 1.00 0.00 H new ATOM 0 HB3 SER A 20 -15.803 -10.077 -1.560 1.00 0.00 H new ATOM 0 HG SER A 20 -16.989 -8.258 -2.381 1.00 0.00 H new ATOM 325 N ASP A 21 -13.062 -7.034 -2.538 1.00 0.00 N ATOM 326 CA ASP A 21 -12.458 -6.018 -3.382 1.00 0.00 C ATOM 327 C ASP A 21 -10.977 -6.343 -3.584 1.00 0.00 C ATOM 328 O ASP A 21 -10.324 -6.867 -2.683 1.00 0.00 O ATOM 329 CB ASP A 21 -12.553 -4.635 -2.733 1.00 0.00 C ATOM 330 CG ASP A 21 -13.941 -4.260 -2.210 1.00 0.00 C ATOM 331 OD1 ASP A 21 -14.889 -5.010 -2.529 1.00 0.00 O ATOM 332 OD2 ASP A 21 -14.023 -3.233 -1.503 1.00 0.00 O ATOM 0 H ASP A 21 -13.349 -6.707 -1.616 1.00 0.00 H new ATOM 0 HA ASP A 21 -12.992 -6.009 -4.332 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -11.845 -4.589 -1.906 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -12.241 -3.886 -3.461 1.00 0.00 H new ATOM 337 N THR A 22 -10.489 -6.020 -4.773 1.00 0.00 N ATOM 338 CA THR A 22 -9.097 -6.272 -5.105 1.00 0.00 C ATOM 339 C THR A 22 -8.217 -5.116 -4.625 1.00 0.00 C ATOM 340 O THR A 22 -8.724 -4.068 -4.229 1.00 0.00 O ATOM 341 CB THR A 22 -9.008 -6.518 -6.612 1.00 0.00 C ATOM 342 OG1 THR A 22 -9.952 -5.609 -7.169 1.00 0.00 O ATOM 343 CG2 THR A 22 -9.537 -7.897 -7.012 1.00 0.00 C ATOM 0 H THR A 22 -11.033 -5.586 -5.518 1.00 0.00 H new ATOM 0 HA THR A 22 -8.722 -7.159 -4.594 1.00 0.00 H new ATOM 0 HB THR A 22 -7.972 -6.419 -6.935 1.00 0.00 H new ATOM 0 HG1 THR A 22 -9.958 -5.701 -8.145 1.00 0.00 H new ATOM 0 HG21 THR A 22 -9.451 -8.021 -8.092 1.00 0.00 H new ATOM 0 HG22 THR A 22 -8.954 -8.670 -6.511 1.00 0.00 H new ATOM 0 HG23 THR A 22 -10.583 -7.984 -6.719 1.00 0.00 H new ATOM 351 N ILE A 23 -6.913 -5.347 -4.676 1.00 0.00 N ATOM 352 CA ILE A 23 -5.958 -4.337 -4.252 1.00 0.00 C ATOM 353 C ILE A 23 -6.142 -3.078 -5.100 1.00 0.00 C ATOM 354 O ILE A 23 -6.010 -1.962 -4.599 1.00 0.00 O ATOM 355 CB ILE A 23 -4.535 -4.899 -4.284 1.00 0.00 C ATOM 356 CG1 ILE A 23 -4.249 -5.741 -3.039 1.00 0.00 C ATOM 357 CG2 ILE A 23 -3.508 -3.780 -4.469 1.00 0.00 C ATOM 358 CD1 ILE A 23 -4.164 -4.861 -1.790 1.00 0.00 C ATOM 0 H ILE A 23 -6.496 -6.218 -5.004 1.00 0.00 H new ATOM 0 HA ILE A 23 -6.140 -4.052 -3.216 1.00 0.00 H new ATOM 0 HB ILE A 23 -4.448 -5.561 -5.146 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -5.035 -6.486 -2.911 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -3.313 -6.284 -3.170 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -2.505 -4.206 -4.488 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -3.700 -3.261 -5.408 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -3.586 -3.074 -3.642 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -3.960 -5.484 -0.919 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -3.362 -4.133 -1.912 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -5.110 -4.338 -1.648 1.00 0.00 H new ATOM 370 N GLU A 24 -6.442 -3.299 -6.372 1.00 0.00 N ATOM 371 CA GLU A 24 -6.645 -2.195 -7.295 1.00 0.00 C ATOM 372 C GLU A 24 -7.856 -1.363 -6.870 1.00 0.00 C ATOM 373 O GLU A 24 -7.853 -0.141 -7.007 1.00 0.00 O ATOM 374 CB GLU A 24 -6.806 -2.703 -8.729 1.00 0.00 C ATOM 375 CG GLU A 24 -8.021 -3.625 -8.852 1.00 0.00 C ATOM 376 CD GLU A 24 -8.114 -4.225 -10.257 1.00 0.00 C ATOM 377 OE1 GLU A 24 -8.080 -3.427 -11.218 1.00 0.00 O ATOM 378 OE2 GLU A 24 -8.217 -5.469 -10.337 1.00 0.00 O ATOM 0 H GLU A 24 -6.549 -4.226 -6.785 1.00 0.00 H new ATOM 0 HA GLU A 24 -5.762 -1.556 -7.267 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -6.917 -1.857 -9.408 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -5.906 -3.239 -9.032 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -7.951 -4.425 -8.115 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -8.930 -3.066 -8.630 1.00 0.00 H new ATOM 385 N ASN A 25 -8.863 -2.058 -6.362 1.00 0.00 N ATOM 386 CA ASN A 25 -10.078 -1.399 -5.915 1.00 0.00 C ATOM 387 C ASN A 25 -9.769 -0.553 -4.678 1.00 0.00 C ATOM 388 O ASN A 25 -10.213 0.589 -4.576 1.00 0.00 O ATOM 389 CB ASN A 25 -11.152 -2.421 -5.534 1.00 0.00 C ATOM 390 CG ASN A 25 -12.440 -2.184 -6.325 1.00 0.00 C ATOM 391 OD1 ASN A 25 -12.695 -2.802 -7.345 1.00 0.00 O ATOM 392 ND2 ASN A 25 -13.234 -1.256 -5.798 1.00 0.00 N ATOM 0 H ASN A 25 -8.862 -3.072 -6.250 1.00 0.00 H new ATOM 0 HA ASN A 25 -10.445 -0.779 -6.733 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -10.784 -3.429 -5.725 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -11.360 -2.355 -4.466 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -14.118 -1.024 -6.251 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -12.959 -0.777 -4.941 1.00 0.00 H new ATOM 399 N VAL A 26 -9.010 -1.148 -3.768 1.00 0.00 N ATOM 400 CA VAL A 26 -8.637 -0.463 -2.542 1.00 0.00 C ATOM 401 C VAL A 26 -7.772 0.752 -2.885 1.00 0.00 C ATOM 402 O VAL A 26 -7.956 1.828 -2.319 1.00 0.00 O ATOM 403 CB VAL A 26 -7.945 -1.439 -1.589 1.00 0.00 C ATOM 404 CG1 VAL A 26 -7.791 -0.827 -0.195 1.00 0.00 C ATOM 405 CG2 VAL A 26 -8.698 -2.769 -1.524 1.00 0.00 C ATOM 0 H VAL A 26 -8.644 -2.096 -3.856 1.00 0.00 H new ATOM 0 HA VAL A 26 -9.523 -0.096 -2.024 1.00 0.00 H new ATOM 0 HB VAL A 26 -6.947 -1.638 -1.980 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -7.296 -1.541 0.463 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -7.192 0.081 -0.261 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -8.775 -0.585 0.207 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -8.185 -3.445 -0.840 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -9.714 -2.595 -1.169 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -8.733 -3.216 -2.517 1.00 0.00 H new ATOM 415 N LYS A 27 -6.848 0.539 -3.810 1.00 0.00 N ATOM 416 CA LYS A 27 -5.955 1.603 -4.234 1.00 0.00 C ATOM 417 C LYS A 27 -6.772 2.717 -4.893 1.00 0.00 C ATOM 418 O LYS A 27 -6.552 3.897 -4.623 1.00 0.00 O ATOM 419 CB LYS A 27 -4.843 1.047 -5.126 1.00 0.00 C ATOM 420 CG LYS A 27 -3.564 0.804 -4.321 1.00 0.00 C ATOM 421 CD LYS A 27 -2.992 -0.585 -4.607 1.00 0.00 C ATOM 422 CE LYS A 27 -1.843 -0.508 -5.615 1.00 0.00 C ATOM 423 NZ LYS A 27 -1.071 -1.770 -5.618 1.00 0.00 N ATOM 0 H LYS A 27 -6.699 -0.355 -4.278 1.00 0.00 H new ATOM 0 HA LYS A 27 -5.451 2.042 -3.373 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -5.172 0.114 -5.584 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.639 1.746 -5.937 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -2.824 1.564 -4.570 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -3.776 0.902 -3.256 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.637 -1.034 -3.679 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.778 -1.233 -4.995 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -2.239 -0.314 -6.612 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -1.187 0.326 -5.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.228 -1.660 -6.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -0.778 -2.000 -4.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -1.663 -2.539 -5.992 1.00 0.00 H new ATOM 437 N ALA A 28 -7.699 2.303 -5.745 1.00 0.00 N ATOM 438 CA ALA A 28 -8.549 3.249 -6.443 1.00 0.00 C ATOM 439 C ALA A 28 -9.325 4.083 -5.421 1.00 0.00 C ATOM 440 O ALA A 28 -9.531 5.280 -5.619 1.00 0.00 O ATOM 441 CB ALA A 28 -9.474 2.495 -7.403 1.00 0.00 C ATOM 0 H ALA A 28 -7.879 1.324 -5.967 1.00 0.00 H new ATOM 0 HA ALA A 28 -7.948 3.935 -7.040 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -10.112 3.206 -7.927 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -8.875 1.943 -8.127 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -10.094 1.798 -6.839 1.00 0.00 H new ATOM 447 N LYS A 29 -9.734 3.418 -4.351 1.00 0.00 N ATOM 448 CA LYS A 29 -10.482 4.082 -3.297 1.00 0.00 C ATOM 449 C LYS A 29 -9.595 5.138 -2.636 1.00 0.00 C ATOM 450 O LYS A 29 -10.031 6.264 -2.403 1.00 0.00 O ATOM 451 CB LYS A 29 -11.053 3.056 -2.316 1.00 0.00 C ATOM 452 CG LYS A 29 -12.447 3.467 -1.842 1.00 0.00 C ATOM 453 CD LYS A 29 -13.062 2.390 -0.946 1.00 0.00 C ATOM 454 CE LYS A 29 -14.369 2.878 -0.319 1.00 0.00 C ATOM 455 NZ LYS A 29 -15.463 1.917 -0.584 1.00 0.00 N ATOM 0 H LYS A 29 -9.562 2.426 -4.191 1.00 0.00 H new ATOM 0 HA LYS A 29 -11.344 4.604 -3.713 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -11.102 2.078 -2.795 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -10.388 2.958 -1.458 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -12.386 4.408 -1.296 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -13.092 3.640 -2.704 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -13.249 1.489 -1.530 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -12.357 2.119 -0.160 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -14.239 3.002 0.756 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -14.630 3.856 -0.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -16.343 2.264 -0.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -15.598 1.819 -1.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -15.219 0.992 -0.177 1.00 0.00 H new ATOM 469 N ILE A 30 -8.365 4.737 -2.351 1.00 0.00 N ATOM 470 CA ILE A 30 -7.412 5.634 -1.720 1.00 0.00 C ATOM 471 C ILE A 30 -7.110 6.798 -2.667 1.00 0.00 C ATOM 472 O ILE A 30 -6.831 7.910 -2.221 1.00 0.00 O ATOM 473 CB ILE A 30 -6.166 4.866 -1.274 1.00 0.00 C ATOM 474 CG1 ILE A 30 -6.539 3.708 -0.347 1.00 0.00 C ATOM 475 CG2 ILE A 30 -5.142 5.807 -0.633 1.00 0.00 C ATOM 476 CD1 ILE A 30 -5.478 2.607 -0.391 1.00 0.00 C ATOM 0 H ILE A 30 -8.006 3.802 -2.546 1.00 0.00 H new ATOM 0 HA ILE A 30 -7.836 6.062 -0.812 1.00 0.00 H new ATOM 0 HB ILE A 30 -5.697 4.433 -2.157 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -6.646 4.075 0.674 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -7.505 3.299 -0.641 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -4.266 5.236 -0.325 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -4.844 6.567 -1.355 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -5.586 6.289 0.238 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -5.768 1.796 0.277 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -5.391 2.226 -1.408 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -4.518 3.014 -0.073 1.00 0.00 H new ATOM 488 N GLN A 31 -7.176 6.502 -3.957 1.00 0.00 N ATOM 489 CA GLN A 31 -6.914 7.509 -4.970 1.00 0.00 C ATOM 490 C GLN A 31 -7.978 8.606 -4.916 1.00 0.00 C ATOM 491 O GLN A 31 -7.657 9.780 -4.735 1.00 0.00 O ATOM 492 CB GLN A 31 -6.845 6.881 -6.363 1.00 0.00 C ATOM 493 CG GLN A 31 -6.638 7.949 -7.438 1.00 0.00 C ATOM 494 CD GLN A 31 -7.188 7.484 -8.788 1.00 0.00 C ATOM 495 OE1 GLN A 31 -7.629 6.359 -8.953 1.00 0.00 O ATOM 496 NE2 GLN A 31 -7.137 8.411 -9.741 1.00 0.00 N ATOM 0 H GLN A 31 -7.407 5.579 -4.323 1.00 0.00 H new ATOM 0 HA GLN A 31 -5.944 7.960 -4.762 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -6.029 6.160 -6.400 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -7.765 6.332 -6.564 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -7.134 8.872 -7.138 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -5.576 8.174 -7.532 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -6.755 9.334 -9.535 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -7.480 8.199 -10.678 1.00 0.00 H new ATOM 505 N ASP A 32 -9.225 8.186 -5.077 1.00 0.00 N ATOM 506 CA ASP A 32 -10.339 9.119 -5.048 1.00 0.00 C ATOM 507 C ASP A 32 -10.364 9.835 -3.697 1.00 0.00 C ATOM 508 O ASP A 32 -10.801 10.982 -3.606 1.00 0.00 O ATOM 509 CB ASP A 32 -11.672 8.389 -5.223 1.00 0.00 C ATOM 510 CG ASP A 32 -12.667 9.076 -6.162 1.00 0.00 C ATOM 511 OD1 ASP A 32 -12.420 9.025 -7.385 1.00 0.00 O ATOM 512 OD2 ASP A 32 -13.652 9.635 -5.634 1.00 0.00 O ATOM 0 H ASP A 32 -9.488 7.212 -5.228 1.00 0.00 H new ATOM 0 HA ASP A 32 -10.207 9.829 -5.865 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -11.473 7.386 -5.600 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -12.138 8.275 -4.244 1.00 0.00 H new ATOM 517 N LYS A 33 -9.891 9.129 -2.680 1.00 0.00 N ATOM 518 CA LYS A 33 -9.854 9.684 -1.337 1.00 0.00 C ATOM 519 C LYS A 33 -8.681 10.660 -1.225 1.00 0.00 C ATOM 520 O LYS A 33 -8.881 11.873 -1.185 1.00 0.00 O ATOM 521 CB LYS A 33 -9.823 8.563 -0.296 1.00 0.00 C ATOM 522 CG LYS A 33 -11.200 8.374 0.346 1.00 0.00 C ATOM 523 CD LYS A 33 -11.625 6.905 0.309 1.00 0.00 C ATOM 524 CE LYS A 33 -13.105 6.772 -0.055 1.00 0.00 C ATOM 525 NZ LYS A 33 -13.840 6.060 1.013 1.00 0.00 N ATOM 0 H LYS A 33 -9.530 8.178 -2.759 1.00 0.00 H new ATOM 0 HA LYS A 33 -10.762 10.252 -1.134 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -9.506 7.633 -0.767 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -9.088 8.797 0.474 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -11.175 8.723 1.378 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -11.936 8.983 -0.179 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -11.018 6.365 -0.418 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -11.443 6.445 1.280 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -13.539 7.761 -0.206 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -13.207 6.232 -0.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -14.843 5.979 0.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -13.437 5.110 1.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -13.758 6.590 1.904 1.00 0.00 H new ATOM 539 N GLU A 34 -7.484 10.094 -1.178 1.00 0.00 N ATOM 540 CA GLU A 34 -6.279 10.898 -1.070 1.00 0.00 C ATOM 541 C GLU A 34 -6.086 11.737 -2.336 1.00 0.00 C ATOM 542 O GLU A 34 -6.094 12.966 -2.277 1.00 0.00 O ATOM 543 CB GLU A 34 -5.055 10.021 -0.804 1.00 0.00 C ATOM 544 CG GLU A 34 -4.641 10.089 0.668 1.00 0.00 C ATOM 545 CD GLU A 34 -4.239 11.513 1.058 1.00 0.00 C ATOM 546 OE1 GLU A 34 -3.055 11.849 0.840 1.00 0.00 O ATOM 547 OE2 GLU A 34 -5.126 12.234 1.566 1.00 0.00 O ATOM 0 H GLU A 34 -7.323 9.087 -1.213 1.00 0.00 H new ATOM 0 HA GLU A 34 -6.392 11.573 -0.222 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -5.277 8.989 -1.076 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -4.227 10.346 -1.434 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -5.466 9.755 1.297 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.808 9.410 0.847 1.00 0.00 H new ATOM 554 N GLY A 35 -5.919 11.040 -3.450 1.00 0.00 N ATOM 555 CA GLY A 35 -5.726 11.705 -4.728 1.00 0.00 C ATOM 556 C GLY A 35 -4.550 11.092 -5.492 1.00 0.00 C ATOM 557 O GLY A 35 -4.314 11.432 -6.650 1.00 0.00 O ATOM 0 H GLY A 35 -5.913 10.021 -3.495 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -6.634 11.624 -5.325 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -5.545 12.768 -4.566 1.00 0.00 H new ATOM 561 N ILE A 36 -3.844 10.200 -4.812 1.00 0.00 N ATOM 562 CA ILE A 36 -2.700 9.537 -5.413 1.00 0.00 C ATOM 563 C ILE A 36 -3.189 8.415 -6.331 1.00 0.00 C ATOM 564 O ILE A 36 -4.105 7.673 -5.978 1.00 0.00 O ATOM 565 CB ILE A 36 -1.725 9.066 -4.332 1.00 0.00 C ATOM 566 CG1 ILE A 36 -1.021 10.253 -3.672 1.00 0.00 C ATOM 567 CG2 ILE A 36 -0.730 8.050 -4.896 1.00 0.00 C ATOM 568 CD1 ILE A 36 -0.761 9.983 -2.189 1.00 0.00 C ATOM 0 H ILE A 36 -4.042 9.921 -3.851 1.00 0.00 H new ATOM 0 HA ILE A 36 -2.139 10.235 -6.034 1.00 0.00 H new ATOM 0 HB ILE A 36 -2.297 8.559 -3.555 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -0.077 10.448 -4.180 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.633 11.149 -3.780 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -0.049 7.732 -4.107 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -1.271 7.185 -5.279 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -0.160 8.509 -5.704 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -0.260 10.843 -1.745 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.709 9.812 -1.679 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -0.129 9.101 -2.085 1.00 0.00 H new ATOM 580 N PRO A 37 -2.541 8.324 -7.523 1.00 0.00 N ATOM 581 CA PRO A 37 -2.901 7.305 -8.495 1.00 0.00 C ATOM 582 C PRO A 37 -2.381 5.931 -8.067 1.00 0.00 C ATOM 583 O PRO A 37 -1.432 5.837 -7.289 1.00 0.00 O ATOM 584 CB PRO A 37 -2.303 7.784 -9.808 1.00 0.00 C ATOM 585 CG PRO A 37 -1.243 8.807 -9.434 1.00 0.00 C ATOM 586 CD PRO A 37 -1.453 9.184 -7.976 1.00 0.00 C ATOM 0 HA PRO A 37 -3.979 7.175 -8.588 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -1.866 6.954 -10.364 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -3.067 8.228 -10.446 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -0.245 8.394 -9.582 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -1.321 9.688 -10.071 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -0.548 9.020 -7.390 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -1.712 10.238 -7.873 1.00 0.00 H new ATOM 594 N PRO A 38 -3.041 4.873 -8.607 1.00 0.00 N ATOM 595 CA PRO A 38 -2.655 3.509 -8.290 1.00 0.00 C ATOM 596 C PRO A 38 -1.366 3.120 -9.017 1.00 0.00 C ATOM 597 O PRO A 38 -0.643 2.230 -8.574 1.00 0.00 O ATOM 598 CB PRO A 38 -3.846 2.658 -8.697 1.00 0.00 C ATOM 599 CG PRO A 38 -4.664 3.513 -9.650 1.00 0.00 C ATOM 600 CD PRO A 38 -4.168 4.946 -9.532 1.00 0.00 C ATOM 0 HA PRO A 38 -2.427 3.372 -7.233 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -3.521 1.737 -9.180 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -4.436 2.370 -7.827 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -4.556 3.154 -10.674 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -5.724 3.454 -9.402 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -3.860 5.340 -10.501 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -4.949 5.605 -9.153 1.00 0.00 H new ATOM 608 N ASP A 39 -1.118 3.807 -10.122 1.00 0.00 N ATOM 609 CA ASP A 39 0.071 3.545 -10.916 1.00 0.00 C ATOM 610 C ASP A 39 1.309 3.982 -10.131 1.00 0.00 C ATOM 611 O ASP A 39 2.372 3.373 -10.251 1.00 0.00 O ATOM 612 CB ASP A 39 0.042 4.331 -12.228 1.00 0.00 C ATOM 613 CG ASP A 39 -1.160 4.039 -13.129 1.00 0.00 C ATOM 614 OD1 ASP A 39 -1.133 2.975 -13.783 1.00 0.00 O ATOM 615 OD2 ASP A 39 -2.077 4.889 -13.145 1.00 0.00 O ATOM 0 H ASP A 39 -1.720 4.545 -10.487 1.00 0.00 H new ATOM 0 HA ASP A 39 0.101 2.478 -11.136 1.00 0.00 H new ATOM 0 HB2 ASP A 39 0.054 5.396 -11.997 1.00 0.00 H new ATOM 0 HB3 ASP A 39 0.955 4.116 -12.784 1.00 0.00 H new ATOM 620 N GLN A 40 1.132 5.033 -9.344 1.00 0.00 N ATOM 621 CA GLN A 40 2.221 5.558 -8.539 1.00 0.00 C ATOM 622 C GLN A 40 2.081 5.094 -7.088 1.00 0.00 C ATOM 623 O GLN A 40 2.824 5.540 -6.215 1.00 0.00 O ATOM 624 CB GLN A 40 2.279 7.085 -8.623 1.00 0.00 C ATOM 625 CG GLN A 40 2.896 7.538 -9.947 1.00 0.00 C ATOM 626 CD GLN A 40 2.058 8.642 -10.595 1.00 0.00 C ATOM 627 OE1 GLN A 40 1.937 9.744 -10.086 1.00 0.00 O ATOM 628 NE2 GLN A 40 1.486 8.286 -11.742 1.00 0.00 N ATOM 0 H GLN A 40 0.250 5.535 -9.247 1.00 0.00 H new ATOM 0 HA GLN A 40 3.159 5.169 -8.935 1.00 0.00 H new ATOM 0 HB2 GLN A 40 1.274 7.497 -8.526 1.00 0.00 H new ATOM 0 HB3 GLN A 40 2.865 7.477 -7.792 1.00 0.00 H new ATOM 0 HG2 GLN A 40 3.910 7.900 -9.775 1.00 0.00 H new ATOM 0 HG3 GLN A 40 2.972 6.689 -10.626 1.00 0.00 H new ATOM 0 HE21 GLN A 40 1.628 7.347 -12.113 1.00 0.00 H new ATOM 0 HE22 GLN A 40 0.905 8.952 -12.251 1.00 0.00 H new ATOM 637 N GLN A 41 1.121 4.205 -6.874 1.00 0.00 N ATOM 638 CA GLN A 41 0.873 3.676 -5.544 1.00 0.00 C ATOM 639 C GLN A 41 1.659 2.380 -5.334 1.00 0.00 C ATOM 640 O GLN A 41 1.654 1.499 -6.192 1.00 0.00 O ATOM 641 CB GLN A 41 -0.622 3.454 -5.312 1.00 0.00 C ATOM 642 CG GLN A 41 -0.988 3.677 -3.844 1.00 0.00 C ATOM 643 CD GLN A 41 -1.806 4.959 -3.672 1.00 0.00 C ATOM 644 OE1 GLN A 41 -1.440 5.867 -2.943 1.00 0.00 O ATOM 645 NE2 GLN A 41 -2.930 4.982 -4.381 1.00 0.00 N ATOM 0 H GLN A 41 0.506 3.838 -7.600 1.00 0.00 H new ATOM 0 HA GLN A 41 1.215 4.409 -4.813 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -1.196 4.134 -5.941 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -0.893 2.441 -5.608 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -1.558 2.825 -3.474 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -0.080 3.737 -3.244 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -3.177 4.188 -4.972 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -3.546 5.794 -4.335 1.00 0.00 H new ATOM 654 N ARG A 42 2.318 2.304 -4.186 1.00 0.00 N ATOM 655 CA ARG A 42 3.107 1.131 -3.852 1.00 0.00 C ATOM 656 C ARG A 42 2.821 0.691 -2.415 1.00 0.00 C ATOM 657 O ARG A 42 3.391 1.235 -1.470 1.00 0.00 O ATOM 658 CB ARG A 42 4.604 1.412 -4.003 1.00 0.00 C ATOM 659 CG ARG A 42 5.353 0.160 -4.462 1.00 0.00 C ATOM 660 CD ARG A 42 6.806 0.184 -3.982 1.00 0.00 C ATOM 661 NE ARG A 42 7.396 -1.169 -4.088 1.00 0.00 N ATOM 662 CZ ARG A 42 7.749 -1.747 -5.244 1.00 0.00 C ATOM 663 NH1 ARG A 42 7.576 -1.092 -6.399 1.00 0.00 N ATOM 664 NH2 ARG A 42 8.278 -2.978 -5.243 1.00 0.00 N ATOM 0 H ARG A 42 2.321 3.036 -3.476 1.00 0.00 H new ATOM 0 HA ARG A 42 2.827 0.336 -4.543 1.00 0.00 H new ATOM 0 HB2 ARG A 42 4.756 2.216 -4.724 1.00 0.00 H new ATOM 0 HB3 ARG A 42 5.011 1.755 -3.052 1.00 0.00 H new ATOM 0 HG2 ARG A 42 4.853 -0.729 -4.077 1.00 0.00 H new ATOM 0 HG3 ARG A 42 5.326 0.094 -5.550 1.00 0.00 H new ATOM 0 HD2 ARG A 42 7.383 0.889 -4.579 1.00 0.00 H new ATOM 0 HD3 ARG A 42 6.851 0.529 -2.949 1.00 0.00 H new ATOM 0 HE ARG A 42 7.543 -1.695 -3.226 1.00 0.00 H new ATOM 0 HH11 ARG A 42 7.176 -0.154 -6.398 1.00 0.00 H new ATOM 0 HH12 ARG A 42 7.844 -1.531 -7.280 1.00 0.00 H new ATOM 0 HH21 ARG A 42 8.412 -3.475 -4.362 1.00 0.00 H new ATOM 0 HH22 ARG A 42 8.547 -3.418 -6.123 1.00 0.00 H new ATOM 678 N LEU A 43 1.938 -0.290 -2.296 1.00 0.00 N ATOM 679 CA LEU A 43 1.569 -0.810 -0.990 1.00 0.00 C ATOM 680 C LEU A 43 2.379 -2.075 -0.702 1.00 0.00 C ATOM 681 O LEU A 43 2.351 -3.025 -1.484 1.00 0.00 O ATOM 682 CB LEU A 43 0.056 -1.014 -0.902 1.00 0.00 C ATOM 683 CG LEU A 43 -0.808 0.121 -1.457 1.00 0.00 C ATOM 684 CD1 LEU A 43 -2.261 -0.022 -1.003 1.00 0.00 C ATOM 685 CD2 LEU A 43 -0.223 1.486 -1.087 1.00 0.00 C ATOM 0 H LEU A 43 1.468 -0.738 -3.082 1.00 0.00 H new ATOM 0 HA LEU A 43 1.815 -0.090 -0.210 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.198 -1.931 -1.434 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.210 -1.168 0.144 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.804 0.052 -2.545 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.852 0.797 -1.412 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.662 -0.971 -1.359 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.306 0.006 0.086 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.856 2.275 -1.493 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.177 1.580 -0.002 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.781 1.576 -1.502 1.00 0.00 H new ATOM 697 N ILE A 44 3.079 -2.049 0.422 1.00 0.00 N ATOM 698 CA ILE A 44 3.895 -3.184 0.822 1.00 0.00 C ATOM 699 C ILE A 44 3.196 -3.932 1.959 1.00 0.00 C ATOM 700 O ILE A 44 2.597 -3.315 2.838 1.00 0.00 O ATOM 701 CB ILE A 44 5.314 -2.728 1.167 1.00 0.00 C ATOM 702 CG1 ILE A 44 6.017 -2.146 -0.061 1.00 0.00 C ATOM 703 CG2 ILE A 44 6.116 -3.866 1.800 1.00 0.00 C ATOM 704 CD1 ILE A 44 6.940 -0.991 0.332 1.00 0.00 C ATOM 0 H ILE A 44 3.099 -1.260 1.069 1.00 0.00 H new ATOM 0 HA ILE A 44 4.003 -3.887 -0.004 1.00 0.00 H new ATOM 0 HB ILE A 44 5.246 -1.931 1.907 1.00 0.00 H new ATOM 0 HG12 ILE A 44 6.595 -2.926 -0.557 1.00 0.00 H new ATOM 0 HG13 ILE A 44 5.274 -1.795 -0.777 1.00 0.00 H new ATOM 0 HG21 ILE A 44 7.121 -3.516 2.036 1.00 0.00 H new ATOM 0 HG22 ILE A 44 5.622 -4.194 2.715 1.00 0.00 H new ATOM 0 HG23 ILE A 44 6.177 -4.700 1.101 1.00 0.00 H new ATOM 0 HD11 ILE A 44 7.427 -0.595 -0.559 1.00 0.00 H new ATOM 0 HD12 ILE A 44 6.355 -0.203 0.806 1.00 0.00 H new ATOM 0 HD13 ILE A 44 7.696 -1.351 1.030 1.00 0.00 H new ATOM 716 N PHE A 45 3.295 -5.253 1.904 1.00 0.00 N ATOM 717 CA PHE A 45 2.680 -6.092 2.918 1.00 0.00 C ATOM 718 C PHE A 45 3.406 -7.435 3.032 1.00 0.00 C ATOM 719 O PHE A 45 3.583 -8.134 2.036 1.00 0.00 O ATOM 720 CB PHE A 45 1.237 -6.342 2.477 1.00 0.00 C ATOM 721 CG PHE A 45 0.280 -6.658 3.628 1.00 0.00 C ATOM 722 CD1 PHE A 45 0.502 -7.742 4.419 1.00 0.00 C ATOM 723 CD2 PHE A 45 -0.793 -5.856 3.860 1.00 0.00 C ATOM 724 CE1 PHE A 45 -0.386 -8.035 5.488 1.00 0.00 C ATOM 725 CE2 PHE A 45 -1.681 -6.148 4.930 1.00 0.00 C ATOM 726 CZ PHE A 45 -1.459 -7.232 5.720 1.00 0.00 C ATOM 0 H PHE A 45 3.792 -5.762 1.173 1.00 0.00 H new ATOM 0 HA PHE A 45 2.729 -5.599 3.889 1.00 0.00 H new ATOM 0 HB2 PHE A 45 0.873 -5.462 1.946 1.00 0.00 H new ATOM 0 HB3 PHE A 45 1.223 -7.170 1.769 1.00 0.00 H new ATOM 0 HD1 PHE A 45 1.354 -8.380 4.234 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -0.970 -4.996 3.231 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -0.209 -8.895 6.117 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -2.532 -5.509 5.116 1.00 0.00 H new ATOM 0 HZ PHE A 45 -2.135 -7.456 6.532 1.00 0.00 H new ATOM 736 N ALA A 46 3.805 -7.753 4.254 1.00 0.00 N ATOM 737 CA ALA A 46 4.507 -9.000 4.512 1.00 0.00 C ATOM 738 C ALA A 46 5.815 -9.016 3.717 1.00 0.00 C ATOM 739 O ALA A 46 6.428 -10.068 3.548 1.00 0.00 O ATOM 740 CB ALA A 46 3.597 -10.179 4.161 1.00 0.00 C ATOM 0 H ALA A 46 3.656 -7.169 5.077 1.00 0.00 H new ATOM 0 HA ALA A 46 4.761 -9.087 5.568 1.00 0.00 H new ATOM 0 HB1 ALA A 46 4.122 -11.114 4.354 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.695 -10.137 4.772 1.00 0.00 H new ATOM 0 HB3 ALA A 46 3.324 -10.127 3.107 1.00 0.00 H new ATOM 746 N GLY A 47 6.202 -7.838 3.253 1.00 0.00 N ATOM 747 CA GLY A 47 7.426 -7.703 2.482 1.00 0.00 C ATOM 748 C GLY A 47 7.152 -7.866 0.985 1.00 0.00 C ATOM 749 O GLY A 47 8.038 -7.649 0.160 1.00 0.00 O ATOM 0 H GLY A 47 5.690 -6.968 3.396 1.00 0.00 H new ATOM 0 HA2 GLY A 47 7.872 -6.726 2.669 1.00 0.00 H new ATOM 0 HA3 GLY A 47 8.149 -8.451 2.807 1.00 0.00 H new ATOM 753 N LYS A 48 5.920 -8.246 0.680 1.00 0.00 N ATOM 754 CA LYS A 48 5.517 -8.439 -0.702 1.00 0.00 C ATOM 755 C LYS A 48 4.600 -7.291 -1.128 1.00 0.00 C ATOM 756 O LYS A 48 3.869 -6.739 -0.307 1.00 0.00 O ATOM 757 CB LYS A 48 4.896 -9.825 -0.891 1.00 0.00 C ATOM 758 CG LYS A 48 5.545 -10.562 -2.064 1.00 0.00 C ATOM 759 CD LYS A 48 6.869 -11.203 -1.643 1.00 0.00 C ATOM 760 CE LYS A 48 7.169 -12.444 -2.486 1.00 0.00 C ATOM 761 NZ LYS A 48 8.098 -13.345 -1.769 1.00 0.00 N ATOM 0 H LYS A 48 5.188 -8.425 1.367 1.00 0.00 H new ATOM 0 HA LYS A 48 6.387 -8.412 -1.359 1.00 0.00 H new ATOM 0 HB2 LYS A 48 5.017 -10.409 0.021 1.00 0.00 H new ATOM 0 HB3 LYS A 48 3.825 -9.726 -1.067 1.00 0.00 H new ATOM 0 HG2 LYS A 48 4.867 -11.330 -2.436 1.00 0.00 H new ATOM 0 HG3 LYS A 48 5.718 -9.866 -2.885 1.00 0.00 H new ATOM 0 HD2 LYS A 48 7.678 -10.481 -1.752 1.00 0.00 H new ATOM 0 HD3 LYS A 48 6.826 -11.477 -0.589 1.00 0.00 H new ATOM 0 HE2 LYS A 48 6.242 -12.971 -2.710 1.00 0.00 H new ATOM 0 HE3 LYS A 48 7.605 -12.146 -3.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 8.291 -14.182 -2.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 8.989 -12.844 -1.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 7.668 -13.643 -0.870 1.00 0.00 H new ATOM 775 N GLN A 49 4.667 -6.965 -2.411 1.00 0.00 N ATOM 776 CA GLN A 49 3.852 -5.893 -2.954 1.00 0.00 C ATOM 777 C GLN A 49 2.422 -6.383 -3.194 1.00 0.00 C ATOM 778 O GLN A 49 2.215 -7.505 -3.652 1.00 0.00 O ATOM 779 CB GLN A 49 4.464 -5.337 -4.241 1.00 0.00 C ATOM 780 CG GLN A 49 4.360 -6.352 -5.381 1.00 0.00 C ATOM 781 CD GLN A 49 5.662 -6.415 -6.182 1.00 0.00 C ATOM 782 OE1 GLN A 49 6.253 -5.407 -6.535 1.00 0.00 O ATOM 783 NE2 GLN A 49 6.074 -7.650 -6.448 1.00 0.00 N ATOM 0 H GLN A 49 5.274 -7.425 -3.090 1.00 0.00 H new ATOM 0 HA GLN A 49 3.820 -5.082 -2.226 1.00 0.00 H new ATOM 0 HB2 GLN A 49 3.954 -4.416 -4.522 1.00 0.00 H new ATOM 0 HB3 GLN A 49 5.510 -5.083 -4.070 1.00 0.00 H new ATOM 0 HG2 GLN A 49 4.131 -7.337 -4.975 1.00 0.00 H new ATOM 0 HG3 GLN A 49 3.536 -6.080 -6.041 1.00 0.00 H new ATOM 0 HE21 GLN A 49 5.531 -8.450 -6.122 1.00 0.00 H new ATOM 0 HE22 GLN A 49 6.933 -7.798 -6.978 1.00 0.00 H new ATOM 792 N LEU A 50 1.472 -5.515 -2.874 1.00 0.00 N ATOM 793 CA LEU A 50 0.068 -5.847 -3.050 1.00 0.00 C ATOM 794 C LEU A 50 -0.253 -5.917 -4.544 1.00 0.00 C ATOM 795 O LEU A 50 -0.145 -4.917 -5.253 1.00 0.00 O ATOM 796 CB LEU A 50 -0.814 -4.863 -2.277 1.00 0.00 C ATOM 797 CG LEU A 50 -0.493 -4.700 -0.790 1.00 0.00 C ATOM 798 CD1 LEU A 50 -1.436 -3.690 -0.133 1.00 0.00 C ATOM 799 CD2 LEU A 50 -0.511 -6.052 -0.073 1.00 0.00 C ATOM 0 H LEU A 50 1.647 -4.584 -2.495 1.00 0.00 H new ATOM 0 HA LEU A 50 -0.147 -6.831 -2.632 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -0.738 -3.886 -2.754 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -1.851 -5.184 -2.371 1.00 0.00 H new ATOM 0 HG LEU A 50 0.518 -4.302 -0.701 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -1.186 -3.593 0.924 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -1.329 -2.721 -0.622 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.465 -4.035 -0.232 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -0.280 -5.907 0.982 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.499 -6.502 -0.170 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.233 -6.711 -0.520 1.00 0.00 H new ATOM 811 N GLU A 51 -0.639 -7.107 -4.979 1.00 0.00 N ATOM 812 CA GLU A 51 -0.976 -7.321 -6.376 1.00 0.00 C ATOM 813 C GLU A 51 -2.462 -7.040 -6.612 1.00 0.00 C ATOM 814 O GLU A 51 -3.318 -7.596 -5.928 1.00 0.00 O ATOM 815 CB GLU A 51 -0.608 -8.738 -6.817 1.00 0.00 C ATOM 816 CG GLU A 51 0.908 -8.946 -6.787 1.00 0.00 C ATOM 817 CD GLU A 51 1.389 -9.653 -8.056 1.00 0.00 C ATOM 818 OE1 GLU A 51 1.683 -8.929 -9.032 1.00 0.00 O ATOM 819 OE2 GLU A 51 1.452 -10.901 -8.021 1.00 0.00 O ATOM 0 H GLU A 51 -0.726 -7.934 -4.388 1.00 0.00 H new ATOM 0 HA GLU A 51 -0.395 -6.626 -6.982 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -1.091 -9.463 -6.162 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -0.983 -8.918 -7.824 1.00 0.00 H new ATOM 0 HG2 GLU A 51 1.409 -7.983 -6.691 1.00 0.00 H new ATOM 0 HG3 GLU A 51 1.181 -9.536 -5.912 1.00 0.00 H new ATOM 826 N ASP A 52 -2.720 -6.178 -7.584 1.00 0.00 N ATOM 827 CA ASP A 52 -4.087 -5.818 -7.920 1.00 0.00 C ATOM 828 C ASP A 52 -4.929 -7.089 -8.047 1.00 0.00 C ATOM 829 O ASP A 52 -6.001 -7.190 -7.453 1.00 0.00 O ATOM 830 CB ASP A 52 -4.149 -5.075 -9.256 1.00 0.00 C ATOM 831 CG ASP A 52 -3.324 -5.700 -10.383 1.00 0.00 C ATOM 832 OD1 ASP A 52 -2.081 -5.688 -10.250 1.00 0.00 O ATOM 833 OD2 ASP A 52 -3.955 -6.176 -11.351 1.00 0.00 O ATOM 0 H ASP A 52 -2.006 -5.718 -8.149 1.00 0.00 H new ATOM 0 HA ASP A 52 -4.468 -5.172 -7.130 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -5.190 -5.020 -9.576 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -3.808 -4.051 -9.101 1.00 0.00 H new ATOM 838 N GLY A 53 -4.412 -8.028 -8.827 1.00 0.00 N ATOM 839 CA GLY A 53 -5.103 -9.289 -9.039 1.00 0.00 C ATOM 840 C GLY A 53 -5.342 -10.012 -7.713 1.00 0.00 C ATOM 841 O GLY A 53 -6.177 -10.912 -7.635 1.00 0.00 O ATOM 0 H GLY A 53 -3.523 -7.941 -9.320 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -6.056 -9.107 -9.535 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -4.515 -9.923 -9.702 1.00 0.00 H new ATOM 845 N ARG A 54 -4.594 -9.594 -6.703 1.00 0.00 N ATOM 846 CA ARG A 54 -4.714 -10.192 -5.384 1.00 0.00 C ATOM 847 C ARG A 54 -5.628 -9.343 -4.498 1.00 0.00 C ATOM 848 O ARG A 54 -5.499 -8.120 -4.458 1.00 0.00 O ATOM 849 CB ARG A 54 -3.346 -10.326 -4.713 1.00 0.00 C ATOM 850 CG ARG A 54 -2.666 -11.638 -5.110 1.00 0.00 C ATOM 851 CD ARG A 54 -2.785 -12.676 -3.993 1.00 0.00 C ATOM 852 NE ARG A 54 -1.521 -13.437 -3.872 1.00 0.00 N ATOM 853 CZ ARG A 54 -1.203 -14.491 -4.636 1.00 0.00 C ATOM 854 NH1 ARG A 54 -2.054 -14.916 -5.579 1.00 0.00 N ATOM 855 NH2 ARG A 54 -0.033 -15.120 -4.456 1.00 0.00 N ATOM 0 H ARG A 54 -3.902 -8.848 -6.771 1.00 0.00 H new ATOM 0 HA ARG A 54 -5.143 -11.186 -5.509 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -2.714 -9.484 -4.997 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -3.463 -10.286 -3.630 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -3.120 -12.026 -6.022 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -1.614 -11.455 -5.331 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -3.013 -12.182 -3.049 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -3.610 -13.356 -4.204 1.00 0.00 H new ATOM 0 HE ARG A 54 -0.850 -13.141 -3.163 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -2.944 -14.437 -5.716 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -1.812 -15.718 -6.160 1.00 0.00 H new ATOM 0 HH21 ARG A 54 0.615 -14.796 -3.738 1.00 0.00 H new ATOM 0 HH22 ARG A 54 0.209 -15.922 -5.037 1.00 0.00 H new ATOM 869 N THR A 55 -6.532 -10.025 -3.810 1.00 0.00 N ATOM 870 CA THR A 55 -7.467 -9.349 -2.927 1.00 0.00 C ATOM 871 C THR A 55 -6.960 -9.385 -1.484 1.00 0.00 C ATOM 872 O THR A 55 -6.055 -10.153 -1.160 1.00 0.00 O ATOM 873 CB THR A 55 -8.840 -9.999 -3.105 1.00 0.00 C ATOM 874 OG1 THR A 55 -8.572 -11.398 -3.056 1.00 0.00 O ATOM 875 CG2 THR A 55 -9.416 -9.778 -4.506 1.00 0.00 C ATOM 0 H THR A 55 -6.637 -11.039 -3.846 1.00 0.00 H new ATOM 0 HA THR A 55 -7.556 -8.293 -3.180 1.00 0.00 H new ATOM 0 HB THR A 55 -9.530 -9.598 -2.362 1.00 0.00 H new ATOM 0 HG1 THR A 55 -9.410 -11.895 -3.162 1.00 0.00 H new ATOM 0 HG21 THR A 55 -10.391 -10.260 -4.579 1.00 0.00 H new ATOM 0 HG22 THR A 55 -9.525 -8.709 -4.690 1.00 0.00 H new ATOM 0 HG23 THR A 55 -8.743 -10.208 -5.248 1.00 0.00 H new ATOM 883 N LEU A 56 -7.566 -8.547 -0.656 1.00 0.00 N ATOM 884 CA LEU A 56 -7.187 -8.474 0.745 1.00 0.00 C ATOM 885 C LEU A 56 -7.445 -9.828 1.410 1.00 0.00 C ATOM 886 O LEU A 56 -6.645 -10.286 2.223 1.00 0.00 O ATOM 887 CB LEU A 56 -7.897 -7.306 1.432 1.00 0.00 C ATOM 888 CG LEU A 56 -7.815 -5.956 0.716 1.00 0.00 C ATOM 889 CD1 LEU A 56 -9.066 -5.116 0.983 1.00 0.00 C ATOM 890 CD2 LEU A 56 -6.534 -5.211 1.094 1.00 0.00 C ATOM 0 H LEU A 56 -8.317 -7.913 -0.928 1.00 0.00 H new ATOM 0 HA LEU A 56 -6.121 -8.269 0.841 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -8.948 -7.567 1.554 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -7.479 -7.190 2.432 1.00 0.00 H new ATOM 0 HG LEU A 56 -7.775 -6.142 -0.357 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -8.982 -4.162 0.463 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -9.946 -5.649 0.623 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -9.163 -4.938 2.054 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -6.501 -4.255 0.571 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -6.518 -5.037 2.170 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -5.668 -5.809 0.811 1.00 0.00 H new ATOM 902 N SER A 57 -8.566 -10.429 1.039 1.00 0.00 N ATOM 903 CA SER A 57 -8.940 -11.721 1.589 1.00 0.00 C ATOM 904 C SER A 57 -7.904 -12.776 1.198 1.00 0.00 C ATOM 905 O SER A 57 -7.495 -13.587 2.028 1.00 0.00 O ATOM 906 CB SER A 57 -10.332 -12.141 1.111 1.00 0.00 C ATOM 907 OG SER A 57 -10.752 -13.367 1.704 1.00 0.00 O ATOM 0 H SER A 57 -9.228 -10.045 0.364 1.00 0.00 H new ATOM 0 HA SER A 57 -8.969 -11.635 2.675 1.00 0.00 H new ATOM 0 HB2 SER A 57 -11.050 -11.357 1.352 1.00 0.00 H new ATOM 0 HB3 SER A 57 -10.327 -12.246 0.026 1.00 0.00 H new ATOM 0 HG SER A 57 -11.645 -13.600 1.375 1.00 0.00 H new ATOM 913 N ASP A 58 -7.508 -12.731 -0.066 1.00 0.00 N ATOM 914 CA ASP A 58 -6.526 -13.673 -0.576 1.00 0.00 C ATOM 915 C ASP A 58 -5.197 -13.463 0.150 1.00 0.00 C ATOM 916 O ASP A 58 -4.316 -14.319 0.100 1.00 0.00 O ATOM 917 CB ASP A 58 -6.287 -13.461 -2.072 1.00 0.00 C ATOM 918 CG ASP A 58 -6.890 -14.533 -2.983 1.00 0.00 C ATOM 919 OD1 ASP A 58 -8.105 -14.786 -2.834 1.00 0.00 O ATOM 920 OD2 ASP A 58 -6.122 -15.074 -3.808 1.00 0.00 O ATOM 0 H ASP A 58 -7.849 -12.057 -0.752 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.907 -14.681 -0.410 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -6.697 -12.492 -2.356 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.213 -13.417 -2.250 1.00 0.00 H new ATOM 925 N TYR A 59 -5.094 -12.318 0.810 1.00 0.00 N ATOM 926 CA TYR A 59 -3.888 -11.984 1.546 1.00 0.00 C ATOM 927 C TYR A 59 -4.046 -12.305 3.034 1.00 0.00 C ATOM 928 O TYR A 59 -3.088 -12.207 3.800 1.00 0.00 O ATOM 929 CB TYR A 59 -3.695 -10.475 1.380 1.00 0.00 C ATOM 930 CG TYR A 59 -2.843 -10.087 0.170 1.00 0.00 C ATOM 931 CD1 TYR A 59 -1.568 -10.597 0.031 1.00 0.00 C ATOM 932 CD2 TYR A 59 -3.349 -9.226 -0.783 1.00 0.00 C ATOM 933 CE1 TYR A 59 -0.766 -10.231 -1.108 1.00 0.00 C ATOM 934 CE2 TYR A 59 -2.547 -8.860 -1.922 1.00 0.00 C ATOM 935 CZ TYR A 59 -1.295 -9.381 -2.028 1.00 0.00 C ATOM 936 OH TYR A 59 -0.538 -9.035 -3.103 1.00 0.00 O ATOM 0 H TYR A 59 -5.827 -11.610 0.850 1.00 0.00 H new ATOM 0 HA TYR A 59 -3.040 -12.557 1.171 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.673 -10.002 1.290 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -3.230 -10.077 2.282 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -1.172 -11.271 0.776 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -4.347 -8.827 -0.674 1.00 0.00 H new ATOM 0 HE1 TYR A 59 0.233 -10.623 -1.229 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -2.931 -8.187 -2.675 1.00 0.00 H new ATOM 0 HH TYR A 59 -0.694 -9.672 -3.831 1.00 0.00 H new ATOM 946 N ASN A 60 -5.263 -12.680 3.399 1.00 0.00 N ATOM 947 CA ASN A 60 -5.560 -13.015 4.781 1.00 0.00 C ATOM 948 C ASN A 60 -5.166 -11.843 5.682 1.00 0.00 C ATOM 949 O ASN A 60 -4.434 -12.021 6.654 1.00 0.00 O ATOM 950 CB ASN A 60 -4.769 -14.244 5.232 1.00 0.00 C ATOM 951 CG ASN A 60 -5.501 -14.989 6.350 1.00 0.00 C ATOM 952 OD1 ASN A 60 -5.243 -14.803 7.527 1.00 0.00 O ATOM 953 ND2 ASN A 60 -6.427 -15.840 5.917 1.00 0.00 N ATOM 0 H ASN A 60 -6.055 -12.759 2.761 1.00 0.00 H new ATOM 0 HA ASN A 60 -6.627 -13.225 4.855 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -4.615 -14.913 4.385 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.782 -13.938 5.580 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -6.971 -16.385 6.586 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -6.593 -15.948 4.916 1.00 0.00 H new ATOM 960 N ILE A 61 -5.670 -10.670 5.326 1.00 0.00 N ATOM 961 CA ILE A 61 -5.380 -9.469 6.091 1.00 0.00 C ATOM 962 C ILE A 61 -6.260 -9.440 7.342 1.00 0.00 C ATOM 963 O ILE A 61 -7.395 -9.913 7.317 1.00 0.00 O ATOM 964 CB ILE A 61 -5.522 -8.226 5.209 1.00 0.00 C ATOM 965 CG1 ILE A 61 -4.414 -8.169 4.156 1.00 0.00 C ATOM 966 CG2 ILE A 61 -5.572 -6.954 6.059 1.00 0.00 C ATOM 967 CD1 ILE A 61 -4.653 -7.026 3.169 1.00 0.00 C ATOM 0 H ILE A 61 -6.277 -10.526 4.519 1.00 0.00 H new ATOM 0 HA ILE A 61 -4.344 -9.474 6.431 1.00 0.00 H new ATOM 0 HB ILE A 61 -6.469 -8.294 4.674 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -3.449 -8.036 4.645 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -4.370 -9.116 3.618 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -5.673 -6.085 5.408 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -6.425 -7.002 6.736 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -4.653 -6.868 6.639 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -3.851 -7.008 2.431 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -5.607 -7.175 2.664 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -4.672 -6.078 3.707 1.00 0.00 H new ATOM 979 N GLN A 62 -5.703 -8.879 8.405 1.00 0.00 N ATOM 980 CA GLN A 62 -6.423 -8.782 9.663 1.00 0.00 C ATOM 981 C GLN A 62 -7.063 -7.400 9.805 1.00 0.00 C ATOM 982 O GLN A 62 -6.551 -6.418 9.267 1.00 0.00 O ATOM 983 CB GLN A 62 -5.502 -9.085 10.847 1.00 0.00 C ATOM 984 CG GLN A 62 -4.453 -10.134 10.472 1.00 0.00 C ATOM 985 CD GLN A 62 -5.109 -11.486 10.183 1.00 0.00 C ATOM 986 OE1 GLN A 62 -5.175 -11.945 9.055 1.00 0.00 O ATOM 987 NE2 GLN A 62 -5.588 -12.096 11.263 1.00 0.00 N ATOM 0 H GLN A 62 -4.761 -8.487 8.421 1.00 0.00 H new ATOM 0 HA GLN A 62 -7.217 -9.529 9.662 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -5.006 -8.170 11.170 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -6.093 -9.442 11.690 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -3.897 -9.801 9.596 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -3.734 -10.241 11.284 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -5.499 -11.656 12.179 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -6.044 -13.004 11.176 1.00 0.00 H new ATOM 996 N LYS A 63 -8.170 -7.365 10.531 1.00 0.00 N ATOM 997 CA LYS A 63 -8.884 -6.119 10.750 1.00 0.00 C ATOM 998 C LYS A 63 -7.898 -5.048 11.221 1.00 0.00 C ATOM 999 O LYS A 63 -7.081 -5.298 12.106 1.00 0.00 O ATOM 1000 CB LYS A 63 -10.060 -6.335 11.704 1.00 0.00 C ATOM 1001 CG LYS A 63 -9.601 -7.024 12.992 1.00 0.00 C ATOM 1002 CD LYS A 63 -10.192 -8.431 13.101 1.00 0.00 C ATOM 1003 CE LYS A 63 -9.494 -9.233 14.201 1.00 0.00 C ATOM 1004 NZ LYS A 63 -10.460 -10.121 14.887 1.00 0.00 N ATOM 0 H LYS A 63 -8.591 -8.181 10.976 1.00 0.00 H new ATOM 0 HA LYS A 63 -9.322 -5.762 9.818 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -10.519 -5.376 11.944 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -10.823 -6.941 11.215 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -8.513 -7.080 13.011 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -9.904 -6.430 13.854 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -11.259 -8.366 13.314 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -10.088 -8.948 12.147 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -8.687 -9.827 13.771 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -9.040 -8.554 14.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -9.970 -10.658 15.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -11.215 -9.548 15.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -10.874 -10.781 14.198 1.00 0.00 H new ATOM 1018 N GLU A 64 -8.006 -3.878 10.609 1.00 0.00 N ATOM 1019 CA GLU A 64 -7.136 -2.768 10.955 1.00 0.00 C ATOM 1020 C GLU A 64 -5.669 -3.184 10.823 1.00 0.00 C ATOM 1021 O GLU A 64 -4.878 -2.987 11.745 1.00 0.00 O ATOM 1022 CB GLU A 64 -7.435 -2.255 12.365 1.00 0.00 C ATOM 1023 CG GLU A 64 -8.943 -2.150 12.601 1.00 0.00 C ATOM 1024 CD GLU A 64 -9.404 -3.163 13.652 1.00 0.00 C ATOM 1025 OE1 GLU A 64 -8.665 -3.325 14.647 1.00 0.00 O ATOM 1026 OE2 GLU A 64 -10.485 -3.753 13.436 1.00 0.00 O ATOM 0 H GLU A 64 -8.684 -3.675 9.875 1.00 0.00 H new ATOM 0 HA GLU A 64 -7.327 -1.951 10.259 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -6.994 -2.927 13.102 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -6.972 -1.278 12.506 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -9.194 -1.141 12.928 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -9.474 -2.324 11.665 1.00 0.00 H new ATOM 1033 N SER A 65 -5.350 -3.751 9.670 1.00 0.00 N ATOM 1034 CA SER A 65 -3.992 -4.196 9.405 1.00 0.00 C ATOM 1035 C SER A 65 -3.092 -2.992 9.123 1.00 0.00 C ATOM 1036 O SER A 65 -3.576 -1.923 8.752 1.00 0.00 O ATOM 1037 CB SER A 65 -3.952 -5.175 8.230 1.00 0.00 C ATOM 1038 OG SER A 65 -4.744 -4.726 7.134 1.00 0.00 O ATOM 0 H SER A 65 -6.008 -3.913 8.908 1.00 0.00 H new ATOM 0 HA SER A 65 -3.625 -4.717 10.289 1.00 0.00 H new ATOM 0 HB2 SER A 65 -2.921 -5.306 7.902 1.00 0.00 H new ATOM 0 HB3 SER A 65 -4.308 -6.151 8.559 1.00 0.00 H new ATOM 0 HG SER A 65 -5.688 -4.917 7.313 1.00 0.00 H new ATOM 1044 N THR A 66 -1.798 -3.204 9.310 1.00 0.00 N ATOM 1045 CA THR A 66 -0.825 -2.149 9.080 1.00 0.00 C ATOM 1046 C THR A 66 -0.214 -2.281 7.684 1.00 0.00 C ATOM 1047 O THR A 66 0.588 -3.181 7.437 1.00 0.00 O ATOM 1048 CB THR A 66 0.210 -2.207 10.205 1.00 0.00 C ATOM 1049 OG1 THR A 66 -0.444 -1.592 11.312 1.00 0.00 O ATOM 1050 CG2 THR A 66 1.417 -1.304 9.938 1.00 0.00 C ATOM 0 H THR A 66 -1.400 -4.091 9.618 1.00 0.00 H new ATOM 0 HA THR A 66 -1.295 -1.166 9.102 1.00 0.00 H new ATOM 0 HB THR A 66 0.547 -3.236 10.334 1.00 0.00 H new ATOM 0 HG1 THR A 66 0.157 -1.589 12.086 1.00 0.00 H new ATOM 0 HG21 THR A 66 2.121 -1.383 10.767 1.00 0.00 H new ATOM 0 HG22 THR A 66 1.907 -1.615 9.015 1.00 0.00 H new ATOM 0 HG23 THR A 66 1.084 -0.271 9.842 1.00 0.00 H new ATOM 1058 N LEU A 67 -0.615 -1.372 6.808 1.00 0.00 N ATOM 1059 CA LEU A 67 -0.117 -1.377 5.443 1.00 0.00 C ATOM 1060 C LEU A 67 0.821 -0.184 5.243 1.00 0.00 C ATOM 1061 O LEU A 67 0.649 0.857 5.875 1.00 0.00 O ATOM 1062 CB LEU A 67 -1.278 -1.419 4.448 1.00 0.00 C ATOM 1063 CG LEU A 67 -2.122 -2.695 4.456 1.00 0.00 C ATOM 1064 CD1 LEU A 67 -3.155 -2.663 5.585 1.00 0.00 C ATOM 1065 CD2 LEU A 67 -2.773 -2.931 3.091 1.00 0.00 C ATOM 0 H LEU A 67 -1.279 -0.627 7.017 1.00 0.00 H new ATOM 0 HA LEU A 67 0.466 -2.278 5.254 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.934 -0.572 4.649 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.876 -1.279 3.445 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.461 -3.540 4.648 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.741 -3.582 5.568 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -2.644 -2.577 6.544 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -3.817 -1.808 5.449 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.367 -3.844 3.124 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.418 -2.087 2.845 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.998 -3.030 2.331 1.00 0.00 H new ATOM 1077 N HIS A 68 1.791 -0.376 4.362 1.00 0.00 N ATOM 1078 CA HIS A 68 2.755 0.670 4.070 1.00 0.00 C ATOM 1079 C HIS A 68 2.475 1.257 2.686 1.00 0.00 C ATOM 1080 O HIS A 68 2.676 0.589 1.673 1.00 0.00 O ATOM 1081 CB HIS A 68 4.186 0.146 4.214 1.00 0.00 C ATOM 1082 CG HIS A 68 4.958 0.771 5.352 1.00 0.00 C ATOM 1083 ND1 HIS A 68 5.876 1.789 5.164 1.00 0.00 N ATOM 1084 CD2 HIS A 68 4.937 0.511 6.690 1.00 0.00 C ATOM 1085 CE1 HIS A 68 6.381 2.119 6.345 1.00 0.00 C ATOM 1086 NE2 HIS A 68 5.798 1.325 7.289 1.00 0.00 N ATOM 0 H HIS A 68 1.930 -1.241 3.840 1.00 0.00 H new ATOM 0 HA HIS A 68 2.650 1.477 4.795 1.00 0.00 H new ATOM 0 HB2 HIS A 68 4.154 -0.934 4.360 1.00 0.00 H new ATOM 0 HB3 HIS A 68 4.723 0.325 3.283 1.00 0.00 H new ATOM 0 HD2 HIS A 68 4.324 -0.231 7.180 1.00 0.00 H new ATOM 0 HE1 HIS A 68 7.123 2.882 6.527 1.00 0.00 H new ATOM 0 HE2 HIS A 68 5.992 1.352 8.290 1.00 0.00 H new ATOM 1094 N LEU A 69 2.014 2.499 2.687 1.00 0.00 N ATOM 1095 CA LEU A 69 1.703 3.183 1.443 1.00 0.00 C ATOM 1096 C LEU A 69 2.908 4.024 1.014 1.00 0.00 C ATOM 1097 O LEU A 69 3.082 5.148 1.481 1.00 0.00 O ATOM 1098 CB LEU A 69 0.410 3.988 1.582 1.00 0.00 C ATOM 1099 CG LEU A 69 0.235 5.150 0.603 1.00 0.00 C ATOM 1100 CD1 LEU A 69 0.316 4.665 -0.845 1.00 0.00 C ATOM 1101 CD2 LEU A 69 -1.065 5.910 0.882 1.00 0.00 C ATOM 0 H LEU A 69 1.848 3.050 3.529 1.00 0.00 H new ATOM 0 HA LEU A 69 1.517 2.461 0.648 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.433 3.308 1.462 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.359 4.383 2.597 1.00 0.00 H new ATOM 0 HG LEU A 69 1.057 5.850 0.753 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.188 5.511 -1.520 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.288 4.204 -1.021 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.471 3.933 -1.028 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.166 6.731 0.172 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.912 5.233 0.776 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -1.043 6.308 1.897 1.00 0.00 H new ATOM 1113 N VAL A 70 3.706 3.447 0.129 1.00 0.00 N ATOM 1114 CA VAL A 70 4.889 4.129 -0.369 1.00 0.00 C ATOM 1115 C VAL A 70 4.714 4.420 -1.861 1.00 0.00 C ATOM 1116 O VAL A 70 3.917 3.771 -2.535 1.00 0.00 O ATOM 1117 CB VAL A 70 6.138 3.300 -0.065 1.00 0.00 C ATOM 1118 CG1 VAL A 70 7.394 3.980 -0.611 1.00 0.00 C ATOM 1119 CG2 VAL A 70 6.268 3.034 1.437 1.00 0.00 C ATOM 0 H VAL A 70 3.557 2.515 -0.257 1.00 0.00 H new ATOM 0 HA VAL A 70 5.019 5.086 0.136 1.00 0.00 H new ATOM 0 HB VAL A 70 6.032 2.339 -0.568 1.00 0.00 H new ATOM 0 HG11 VAL A 70 8.267 3.370 -0.381 1.00 0.00 H new ATOM 0 HG12 VAL A 70 7.305 4.094 -1.691 1.00 0.00 H new ATOM 0 HG13 VAL A 70 7.506 4.961 -0.150 1.00 0.00 H new ATOM 0 HG21 VAL A 70 7.164 2.443 1.626 1.00 0.00 H new ATOM 0 HG22 VAL A 70 6.340 3.982 1.970 1.00 0.00 H new ATOM 0 HG23 VAL A 70 5.392 2.487 1.787 1.00 0.00 H new ATOM 1129 N LEU A 71 5.474 5.398 -2.333 1.00 0.00 N ATOM 1130 CA LEU A 71 5.413 5.784 -3.732 1.00 0.00 C ATOM 1131 C LEU A 71 6.367 4.904 -4.542 1.00 0.00 C ATOM 1132 O LEU A 71 6.966 3.973 -4.004 1.00 0.00 O ATOM 1133 CB LEU A 71 5.679 7.283 -3.887 1.00 0.00 C ATOM 1134 CG LEU A 71 4.459 8.197 -3.758 1.00 0.00 C ATOM 1135 CD1 LEU A 71 4.283 8.678 -2.316 1.00 0.00 C ATOM 1136 CD2 LEU A 71 4.542 9.364 -4.745 1.00 0.00 C ATOM 0 H LEU A 71 6.135 5.934 -1.771 1.00 0.00 H new ATOM 0 HA LEU A 71 4.411 5.619 -4.129 1.00 0.00 H new ATOM 0 HB2 LEU A 71 6.412 7.581 -3.138 1.00 0.00 H new ATOM 0 HB3 LEU A 71 6.134 7.452 -4.863 1.00 0.00 H new ATOM 0 HG LEU A 71 3.571 7.619 -4.015 1.00 0.00 H new ATOM 0 HD11 LEU A 71 3.409 9.326 -2.253 1.00 0.00 H new ATOM 0 HD12 LEU A 71 4.146 7.818 -1.660 1.00 0.00 H new ATOM 0 HD13 LEU A 71 5.169 9.233 -2.007 1.00 0.00 H new ATOM 0 HD21 LEU A 71 3.663 9.999 -4.633 1.00 0.00 H new ATOM 0 HD22 LEU A 71 5.440 9.948 -4.543 1.00 0.00 H new ATOM 0 HD23 LEU A 71 4.583 8.977 -5.763 1.00 0.00 H new ATOM 1148 N ARG A 72 6.480 5.229 -5.821 1.00 0.00 N ATOM 1149 CA ARG A 72 7.351 4.479 -6.710 1.00 0.00 C ATOM 1150 C ARG A 72 8.740 5.118 -6.755 1.00 0.00 C ATOM 1151 O ARG A 72 8.870 6.336 -6.645 1.00 0.00 O ATOM 1152 CB ARG A 72 6.776 4.423 -8.127 1.00 0.00 C ATOM 1153 CG ARG A 72 6.478 5.828 -8.653 1.00 0.00 C ATOM 1154 CD ARG A 72 6.218 5.806 -10.161 1.00 0.00 C ATOM 1155 NE ARG A 72 7.152 6.723 -10.850 1.00 0.00 N ATOM 1156 CZ ARG A 72 7.231 8.039 -10.608 1.00 0.00 C ATOM 1157 NH1 ARG A 72 6.431 8.599 -9.691 1.00 0.00 N ATOM 1158 NH2 ARG A 72 8.110 8.793 -11.281 1.00 0.00 N ATOM 0 H ARG A 72 5.983 6.002 -6.263 1.00 0.00 H new ATOM 0 HA ARG A 72 7.427 3.464 -6.321 1.00 0.00 H new ATOM 0 HB2 ARG A 72 7.483 3.925 -8.791 1.00 0.00 H new ATOM 0 HB3 ARG A 72 5.862 3.828 -8.129 1.00 0.00 H new ATOM 0 HG2 ARG A 72 5.609 6.237 -8.137 1.00 0.00 H new ATOM 0 HG3 ARG A 72 7.318 6.487 -8.435 1.00 0.00 H new ATOM 0 HD2 ARG A 72 6.341 4.793 -10.545 1.00 0.00 H new ATOM 0 HD3 ARG A 72 5.189 6.101 -10.365 1.00 0.00 H new ATOM 0 HE ARG A 72 7.776 6.329 -11.554 1.00 0.00 H new ATOM 0 HH11 ARG A 72 5.763 8.024 -9.178 1.00 0.00 H new ATOM 0 HH12 ARG A 72 6.490 9.600 -9.506 1.00 0.00 H new ATOM 0 HH21 ARG A 72 8.720 8.366 -11.978 1.00 0.00 H new ATOM 0 HH22 ARG A 72 8.170 9.794 -11.096 1.00 0.00 H new ATOM 1172 N LEU A 73 9.743 4.267 -6.918 1.00 0.00 N ATOM 1173 CA LEU A 73 11.117 4.734 -6.979 1.00 0.00 C ATOM 1174 C LEU A 73 11.407 5.272 -8.382 1.00 0.00 C ATOM 1175 O LEU A 73 11.515 6.482 -8.577 1.00 0.00 O ATOM 1176 CB LEU A 73 12.078 3.630 -6.532 1.00 0.00 C ATOM 1177 CG LEU A 73 13.490 3.691 -7.121 1.00 0.00 C ATOM 1178 CD1 LEU A 73 14.066 5.105 -7.018 1.00 0.00 C ATOM 1179 CD2 LEU A 73 14.402 2.651 -6.466 1.00 0.00 C ATOM 0 H LEU A 73 9.631 3.257 -7.010 1.00 0.00 H new ATOM 0 HA LEU A 73 11.270 5.559 -6.284 1.00 0.00 H new ATOM 0 HB2 LEU A 73 12.157 3.663 -5.445 1.00 0.00 H new ATOM 0 HB3 LEU A 73 11.639 2.667 -6.791 1.00 0.00 H new ATOM 0 HG LEU A 73 13.430 3.444 -8.181 1.00 0.00 H new ATOM 0 HD11 LEU A 73 15.069 5.121 -7.443 1.00 0.00 H new ATOM 0 HD12 LEU A 73 13.428 5.798 -7.566 1.00 0.00 H new ATOM 0 HD13 LEU A 73 14.111 5.404 -5.971 1.00 0.00 H new ATOM 0 HD21 LEU A 73 15.399 2.715 -6.902 1.00 0.00 H new ATOM 0 HD22 LEU A 73 14.462 2.843 -5.395 1.00 0.00 H new ATOM 0 HD23 LEU A 73 13.996 1.654 -6.634 1.00 0.00 H new ATOM 1191 N ARG A 74 11.524 4.346 -9.323 1.00 0.00 N ATOM 1192 CA ARG A 74 11.799 4.712 -10.702 1.00 0.00 C ATOM 1193 C ARG A 74 10.495 5.022 -11.439 1.00 0.00 C ATOM 1194 O ARG A 74 9.531 5.489 -10.833 1.00 0.00 O ATOM 1195 CB ARG A 74 12.535 3.588 -11.434 1.00 0.00 C ATOM 1196 CG ARG A 74 13.638 2.992 -10.556 1.00 0.00 C ATOM 1197 CD ARG A 74 14.658 2.228 -11.401 1.00 0.00 C ATOM 1198 NE ARG A 74 15.846 1.895 -10.583 1.00 0.00 N ATOM 1199 CZ ARG A 74 17.046 1.585 -11.092 1.00 0.00 C ATOM 1200 NH1 ARG A 74 17.225 1.562 -12.420 1.00 0.00 N ATOM 1201 NH2 ARG A 74 18.067 1.298 -10.274 1.00 0.00 N ATOM 0 H ARG A 74 11.433 3.344 -9.157 1.00 0.00 H new ATOM 0 HA ARG A 74 12.433 5.598 -10.689 1.00 0.00 H new ATOM 0 HB2 ARG A 74 11.828 2.808 -11.715 1.00 0.00 H new ATOM 0 HB3 ARG A 74 12.968 3.973 -12.357 1.00 0.00 H new ATOM 0 HG2 ARG A 74 14.140 3.788 -10.006 1.00 0.00 H new ATOM 0 HG3 ARG A 74 13.198 2.322 -9.817 1.00 0.00 H new ATOM 0 HD2 ARG A 74 14.208 1.315 -11.792 1.00 0.00 H new ATOM 0 HD3 ARG A 74 14.955 2.830 -12.260 1.00 0.00 H new ATOM 0 HE ARG A 74 15.745 1.902 -9.568 1.00 0.00 H new ATOM 0 HH11 ARG A 74 16.448 1.781 -13.043 1.00 0.00 H new ATOM 0 HH12 ARG A 74 18.139 1.326 -12.807 1.00 0.00 H new ATOM 0 HH21 ARG A 74 17.931 1.315 -9.263 1.00 0.00 H new ATOM 0 HH22 ARG A 74 18.980 1.062 -10.662 1.00 0.00 H new ATOM 1215 N GLY A 75 10.507 4.752 -12.736 1.00 0.00 N ATOM 1216 CA GLY A 75 9.338 4.997 -13.562 1.00 0.00 C ATOM 1217 C GLY A 75 9.118 3.853 -14.555 1.00 0.00 C ATOM 1218 O GLY A 75 8.494 2.847 -14.221 1.00 0.00 O ATOM 0 H GLY A 75 11.308 4.366 -13.235 1.00 0.00 H new ATOM 0 HA2 GLY A 75 8.458 5.108 -12.929 1.00 0.00 H new ATOM 0 HA3 GLY A 75 9.461 5.935 -14.104 1.00 0.00 H new ATOM 1222 N GLY A 76 9.642 4.047 -15.756 1.00 0.00 N ATOM 1223 CA GLY A 76 9.512 3.045 -16.799 1.00 0.00 C ATOM 1224 C GLY A 76 10.877 2.468 -17.179 1.00 0.00 C ATOM 1225 O GLY A 76 11.912 3.028 -16.823 1.00 0.00 O ATOM 0 H GLY A 76 10.157 4.883 -16.030 1.00 0.00 H new ATOM 0 HA2 GLY A 76 8.857 2.243 -16.458 1.00 0.00 H new ATOM 0 HA3 GLY A 76 9.043 3.488 -17.678 1.00 0.00 H new TER 1229 GLY A 76