USER MOD reduce.3.24.130724 H: found=0, std=0, add=718, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 710 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 52 LYS NZ :NH3+ 180:sc= -1.44 (180deg=-1.43) USER MOD Set 1.2: A 89 HIS : no HD1:sc= 0.0826 K(o=-1.4,f=-3.1!) USER MOD Set 2.1: A 31 GLN : amide:sc= -4.92! C(o=-11!,f=-4.6!) USER MOD Set 2.2: A 53 LYS NZ :NH3+ 141:sc= -5.64! (180deg=-3.6!) USER MOD Single : A 1 MET CE :methyl 154:sc= -0.132 (180deg=-1.18) USER MOD Single : A 1 MET N :NH3+ -159:sc= -0.0259 (180deg=-0.427) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 11 LYS NZ :NH3+ 167:sc= -2.43 (180deg=-2.72!) USER MOD Single : A 15 LYS NZ :NH3+ -123:sc= -2.52! (180deg=-4.91!) USER MOD Single : A 19 LYS NZ :NH3+ -154:sc= -0.0716 (180deg=-0.446) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -0.0116 K(o=-0.012,f=-1.7!) USER MOD Single : A 36 HIS : no HE2:sc= -0.119 K(o=-0.12,f=-3.3!) USER MOD Single : A 37 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 39 LYS NZ :NH3+ -154:sc= -0.118 (180deg=-0.77) USER MOD Single : A 43 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 47 SER OG : rot 180:sc= -0.0088 USER MOD Single : A 51 ASN : amide:sc= -0.441 K(o=-0.44,f=-2.9) USER MOD Single : A 55 ASN : amide:sc= -2.08! C(o=-2.1!,f=-4.9!) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 HIS : no HE2:sc= 0.13 K(o=0.13,f=-2) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0.00423 USER MOD Single : A 67 ASN : amide:sc= -5.33! C(o=-5.3!,f=-15!) USER MOD Single : A 68 GLN : amide:sc= 0.109 X(o=0.11,f=0) USER MOD Single : A 71 THR OG1 : rot 92:sc= 1.11 USER MOD Single : A 72 GLN : amide:sc= -5.42! C(o=-5.4!,f=-7.6!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= -2.07! C(o=-2.1!,f=-2.2!) USER MOD Single : A 78 THR OG1 : rot 101:sc= 1.21 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 85 HIS : no HD1:sc= -1.02 K(o=-1,f=-0.24) USER MOD Single : A 86 HIS : no HD1:sc= -1.72! C(o=-1.7!,f=-1.9!) USER MOD Single : A 87 HIS : no HD1:sc= -0.11 X(o=-0.11,f=-0.59) USER MOD Single : A 88 HIS : no HE2:sc= -2.47 K(o=-2.5,f=-4!) USER MOD Single : A 90 HIS : no HD1:sc= 0.0931 K(o=0.093,f=-0.9) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.486 6.707 23.337 1.00 0.00 N ATOM 2 CA MET A 1 -7.611 5.777 24.495 1.00 0.00 C ATOM 3 C MET A 1 -6.923 4.458 24.161 1.00 0.00 C ATOM 4 O MET A 1 -7.294 3.778 23.204 1.00 0.00 O ATOM 5 CB MET A 1 -9.092 5.533 24.792 1.00 0.00 C ATOM 6 CG MET A 1 -9.720 6.815 25.343 1.00 0.00 C ATOM 7 SD MET A 1 -11.500 6.568 25.562 1.00 0.00 S ATOM 8 CE MET A 1 -11.404 5.329 26.877 1.00 0.00 C ATOM 0 H1 MET A 1 -7.620 7.686 23.662 1.00 0.00 H new ATOM 0 H2 MET A 1 -6.541 6.609 22.914 1.00 0.00 H new ATOM 0 H3 MET A 1 -8.209 6.476 22.626 1.00 0.00 H new ATOM 0 HA MET A 1 -7.137 6.216 25.373 1.00 0.00 H new ATOM 0 HB2 MET A 1 -9.610 5.223 23.884 1.00 0.00 H new ATOM 0 HB3 MET A 1 -9.201 4.723 25.513 1.00 0.00 H new ATOM 0 HG2 MET A 1 -9.259 7.079 26.295 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.538 7.645 24.660 1.00 0.00 H new ATOM 0 HE1 MET A 1 -12.314 5.363 27.476 1.00 0.00 H new ATOM 0 HE2 MET A 1 -11.296 4.338 26.436 1.00 0.00 H new ATOM 0 HE3 MET A 1 -10.544 5.539 27.513 1.00 0.00 H new ATOM 20 N GLY A 2 -5.919 4.103 24.955 1.00 0.00 N ATOM 21 CA GLY A 2 -5.184 2.862 24.735 1.00 0.00 C ATOM 22 C GLY A 2 -4.528 2.855 23.360 1.00 0.00 C ATOM 23 O GLY A 2 -4.028 3.879 22.895 1.00 0.00 O ATOM 0 H GLY A 2 -5.597 4.652 25.752 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -4.423 2.744 25.506 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -5.862 2.013 24.823 1.00 0.00 H new ATOM 27 N GLN A 3 -4.536 1.696 22.710 1.00 0.00 N ATOM 28 CA GLN A 3 -3.938 1.569 21.385 1.00 0.00 C ATOM 29 C GLN A 3 -4.532 0.380 20.645 1.00 0.00 C ATOM 30 O GLN A 3 -3.994 -0.724 20.699 1.00 0.00 O ATOM 31 CB GLN A 3 -2.424 1.389 21.509 1.00 0.00 C ATOM 32 CG GLN A 3 -1.802 1.320 20.112 1.00 0.00 C ATOM 33 CD GLN A 3 -0.283 1.276 20.220 1.00 0.00 C ATOM 34 OE1 GLN A 3 0.278 0.314 20.747 1.00 0.00 O ATOM 35 NE2 GLN A 3 0.422 2.275 19.762 1.00 0.00 N ATOM 0 H GLN A 3 -4.947 0.837 23.075 1.00 0.00 H new ATOM 0 HA GLN A 3 -4.150 2.478 20.822 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -1.993 2.218 22.070 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -2.200 0.478 22.064 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -2.163 0.436 19.587 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -2.108 2.186 19.525 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -0.044 3.071 19.326 1.00 0.00 H new ATOM 0 HE22 GLN A 3 1.439 2.260 19.840 1.00 0.00 H new ATOM 44 N ILE A 4 -5.645 0.609 19.952 1.00 0.00 N ATOM 45 CA ILE A 4 -6.312 -0.454 19.200 1.00 0.00 C ATOM 46 C ILE A 4 -6.737 0.053 17.826 1.00 0.00 C ATOM 47 O ILE A 4 -6.894 1.256 17.619 1.00 0.00 O ATOM 48 CB ILE A 4 -7.527 -0.956 19.962 1.00 0.00 C ATOM 49 CG1 ILE A 4 -7.083 -1.613 21.274 1.00 0.00 C ATOM 50 CG2 ILE A 4 -8.282 -1.982 19.110 1.00 0.00 C ATOM 51 CD1 ILE A 4 -8.301 -1.867 22.161 1.00 0.00 C ATOM 0 H ILE A 4 -6.104 1.518 19.895 1.00 0.00 H new ATOM 0 HA ILE A 4 -5.609 -1.277 19.071 1.00 0.00 H new ATOM 0 HB ILE A 4 -8.182 -0.113 20.183 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -6.570 -2.552 21.066 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -6.372 -0.969 21.792 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -9.153 -2.340 19.659 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -8.606 -1.515 18.180 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -7.625 -2.822 18.884 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -7.982 -2.334 23.093 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -8.795 -0.921 22.380 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -8.996 -2.528 21.644 1.00 0.00 H new ATOM 63 N PHE A 5 -6.913 -0.873 16.890 1.00 0.00 N ATOM 64 CA PHE A 5 -7.315 -0.507 15.536 1.00 0.00 C ATOM 65 C PHE A 5 -8.746 0.019 15.529 1.00 0.00 C ATOM 66 O PHE A 5 -9.635 -0.558 16.155 1.00 0.00 O ATOM 67 CB PHE A 5 -7.208 -1.729 14.614 1.00 0.00 C ATOM 68 CG PHE A 5 -5.760 -1.985 14.276 1.00 0.00 C ATOM 69 CD1 PHE A 5 -4.961 -2.737 15.142 1.00 0.00 C ATOM 70 CD2 PHE A 5 -5.216 -1.465 13.095 1.00 0.00 C ATOM 71 CE1 PHE A 5 -3.617 -2.970 14.828 1.00 0.00 C ATOM 72 CE2 PHE A 5 -3.872 -1.698 12.781 1.00 0.00 C ATOM 73 CZ PHE A 5 -3.073 -2.452 13.648 1.00 0.00 C ATOM 0 H PHE A 5 -6.785 -1.874 17.041 1.00 0.00 H new ATOM 0 HA PHE A 5 -6.651 0.279 15.175 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -7.638 -2.604 15.102 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -7.780 -1.560 13.702 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -5.380 -3.138 16.053 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -5.834 -0.884 12.426 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -2.999 -3.550 15.497 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -3.452 -1.296 11.871 1.00 0.00 H new ATOM 0 HZ PHE A 5 -2.036 -2.634 13.406 1.00 0.00 H new ATOM 83 N THR A 6 -8.958 1.120 14.816 1.00 0.00 N ATOM 84 CA THR A 6 -10.284 1.720 14.733 1.00 0.00 C ATOM 85 C THR A 6 -11.196 0.882 13.844 1.00 0.00 C ATOM 86 O THR A 6 -10.738 0.230 12.907 1.00 0.00 O ATOM 87 CB THR A 6 -10.184 3.137 14.169 1.00 0.00 C ATOM 88 OG1 THR A 6 -9.108 3.821 14.799 1.00 0.00 O ATOM 89 CG2 THR A 6 -11.490 3.888 14.436 1.00 0.00 C ATOM 0 H THR A 6 -8.235 1.612 14.291 1.00 0.00 H new ATOM 0 HA THR A 6 -10.707 1.758 15.737 1.00 0.00 H new ATOM 0 HB THR A 6 -10.007 3.088 13.095 1.00 0.00 H new ATOM 0 HG1 THR A 6 -9.041 4.729 14.437 1.00 0.00 H new ATOM 0 HG21 THR A 6 -11.418 4.898 14.033 1.00 0.00 H new ATOM 0 HG22 THR A 6 -12.316 3.364 13.955 1.00 0.00 H new ATOM 0 HG23 THR A 6 -11.668 3.937 15.510 1.00 0.00 H new ATOM 97 N VAL A 7 -12.489 0.902 14.146 1.00 0.00 N ATOM 98 CA VAL A 7 -13.455 0.136 13.373 1.00 0.00 C ATOM 99 C VAL A 7 -13.459 0.586 11.918 1.00 0.00 C ATOM 100 O VAL A 7 -13.543 -0.233 11.006 1.00 0.00 O ATOM 101 CB VAL A 7 -14.855 0.309 13.963 1.00 0.00 C ATOM 102 CG1 VAL A 7 -15.312 1.759 13.781 1.00 0.00 C ATOM 103 CG2 VAL A 7 -15.833 -0.625 13.248 1.00 0.00 C ATOM 0 H VAL A 7 -12.889 1.437 14.916 1.00 0.00 H new ATOM 0 HA VAL A 7 -13.169 -0.915 13.416 1.00 0.00 H new ATOM 0 HB VAL A 7 -14.831 0.065 15.025 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -16.310 1.881 14.202 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -14.618 2.426 14.293 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -15.334 2.003 12.719 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -16.830 -0.500 13.670 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -15.856 -0.383 12.185 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -15.511 -1.658 13.378 1.00 0.00 H new ATOM 113 N GLN A 8 -13.378 1.895 11.709 1.00 0.00 N ATOM 114 CA GLN A 8 -13.385 2.444 10.359 1.00 0.00 C ATOM 115 C GLN A 8 -12.281 1.817 9.516 1.00 0.00 C ATOM 116 O GLN A 8 -12.483 1.503 8.346 1.00 0.00 O ATOM 117 CB GLN A 8 -13.190 3.961 10.413 1.00 0.00 C ATOM 118 CG GLN A 8 -13.326 4.547 9.006 1.00 0.00 C ATOM 119 CD GLN A 8 -13.161 6.062 9.052 1.00 0.00 C ATOM 120 OE1 GLN A 8 -13.294 6.670 10.114 1.00 0.00 O ATOM 121 NE2 GLN A 8 -12.876 6.711 7.956 1.00 0.00 N ATOM 0 H GLN A 8 -13.307 2.591 12.451 1.00 0.00 H new ATOM 0 HA GLN A 8 -14.347 2.216 9.900 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -13.929 4.409 11.077 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -12.208 4.197 10.823 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -12.574 4.111 8.348 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -14.301 4.292 8.590 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -12.766 6.205 7.077 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -12.763 7.724 7.978 1.00 0.00 H new ATOM 130 N GLU A 9 -11.109 1.648 10.114 1.00 0.00 N ATOM 131 CA GLU A 9 -9.975 1.063 9.406 1.00 0.00 C ATOM 132 C GLU A 9 -10.184 -0.433 9.191 1.00 0.00 C ATOM 133 O GLU A 9 -9.770 -0.990 8.173 1.00 0.00 O ATOM 134 CB GLU A 9 -8.690 1.295 10.200 1.00 0.00 C ATOM 135 CG GLU A 9 -8.427 2.798 10.316 1.00 0.00 C ATOM 136 CD GLU A 9 -8.115 3.383 8.943 1.00 0.00 C ATOM 137 OE1 GLU A 9 -7.739 2.621 8.068 1.00 0.00 O ATOM 138 OE2 GLU A 9 -8.250 4.585 8.788 1.00 0.00 O ATOM 0 H GLU A 9 -10.918 1.906 11.082 1.00 0.00 H new ATOM 0 HA GLU A 9 -9.892 1.545 8.432 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -8.778 0.853 11.192 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -7.851 0.805 9.706 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -9.298 3.296 10.742 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -7.593 2.978 10.995 1.00 0.00 H new ATOM 145 N LEU A 10 -10.813 -1.080 10.165 1.00 0.00 N ATOM 146 CA LEU A 10 -11.064 -2.512 10.085 1.00 0.00 C ATOM 147 C LEU A 10 -12.058 -2.829 8.985 1.00 0.00 C ATOM 148 O LEU A 10 -12.022 -3.903 8.406 1.00 0.00 O ATOM 149 CB LEU A 10 -11.595 -3.033 11.421 1.00 0.00 C ATOM 150 CG LEU A 10 -10.480 -2.977 12.477 1.00 0.00 C ATOM 151 CD1 LEU A 10 -11.063 -3.308 13.855 1.00 0.00 C ATOM 152 CD2 LEU A 10 -9.370 -3.995 12.130 1.00 0.00 C ATOM 0 H LEU A 10 -11.157 -0.637 11.017 1.00 0.00 H new ATOM 0 HA LEU A 10 -10.120 -3.005 9.854 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -12.446 -2.433 11.744 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -11.951 -4.057 11.308 1.00 0.00 H new ATOM 0 HG LEU A 10 -10.053 -1.974 12.491 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -10.272 -3.268 14.604 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -11.837 -2.583 14.106 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -11.495 -4.309 13.836 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -8.584 -3.948 12.884 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -9.792 -5.000 12.108 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -8.950 -3.756 11.153 1.00 0.00 H new ATOM 164 N LYS A 11 -12.951 -1.895 8.709 1.00 0.00 N ATOM 165 CA LYS A 11 -13.959 -2.108 7.679 1.00 0.00 C ATOM 166 C LYS A 11 -13.315 -2.543 6.369 1.00 0.00 C ATOM 167 O LYS A 11 -13.849 -3.397 5.662 1.00 0.00 O ATOM 168 CB LYS A 11 -14.748 -0.809 7.450 1.00 0.00 C ATOM 169 CG LYS A 11 -15.788 -0.631 8.555 1.00 0.00 C ATOM 170 CD LYS A 11 -16.545 0.680 8.340 1.00 0.00 C ATOM 171 CE LYS A 11 -17.525 0.899 9.495 1.00 0.00 C ATOM 172 NZ LYS A 11 -18.617 -0.112 9.417 1.00 0.00 N ATOM 0 H LYS A 11 -13.001 -0.990 9.177 1.00 0.00 H new ATOM 0 HA LYS A 11 -14.631 -2.897 8.017 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -14.068 0.043 7.438 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -15.239 -0.838 6.477 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -16.484 -1.470 8.552 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -15.300 -0.626 9.530 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -15.843 1.512 8.282 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -17.084 0.650 7.393 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -17.004 0.815 10.449 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -17.942 1.905 9.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -19.155 -0.111 10.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -19.252 0.123 8.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -18.207 -1.055 9.261 1.00 0.00 H new ATOM 186 N GLU A 12 -12.178 -1.944 6.041 1.00 0.00 N ATOM 187 CA GLU A 12 -11.486 -2.278 4.803 1.00 0.00 C ATOM 188 C GLU A 12 -10.967 -3.712 4.829 1.00 0.00 C ATOM 189 O GLU A 12 -11.307 -4.522 3.966 1.00 0.00 O ATOM 190 CB GLU A 12 -10.316 -1.316 4.588 1.00 0.00 C ATOM 191 CG GLU A 12 -10.852 0.091 4.316 1.00 0.00 C ATOM 192 CD GLU A 12 -9.692 1.066 4.142 1.00 0.00 C ATOM 193 OE1 GLU A 12 -8.557 0.626 4.219 1.00 0.00 O ATOM 194 OE2 GLU A 12 -9.957 2.238 3.932 1.00 0.00 O ATOM 0 H GLU A 12 -11.719 -1.231 6.608 1.00 0.00 H new ATOM 0 HA GLU A 12 -12.198 -2.185 3.983 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -9.673 -1.307 5.468 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -9.705 -1.652 3.750 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -11.471 0.086 3.419 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -11.488 0.413 5.141 1.00 0.00 H new ATOM 201 N ARG A 13 -10.134 -4.016 5.816 1.00 0.00 N ATOM 202 CA ARG A 13 -9.561 -5.351 5.940 1.00 0.00 C ATOM 203 C ARG A 13 -10.623 -6.366 6.348 1.00 0.00 C ATOM 204 O ARG A 13 -10.606 -7.513 5.906 1.00 0.00 O ATOM 205 CB ARG A 13 -8.430 -5.343 6.970 1.00 0.00 C ATOM 206 CG ARG A 13 -7.244 -4.547 6.424 1.00 0.00 C ATOM 207 CD ARG A 13 -6.126 -4.517 7.468 1.00 0.00 C ATOM 208 NE ARG A 13 -6.539 -3.739 8.630 1.00 0.00 N ATOM 209 CZ ARG A 13 -5.837 -3.763 9.757 1.00 0.00 C ATOM 210 NH1 ARG A 13 -4.757 -4.492 9.839 1.00 0.00 N ATOM 211 NH2 ARG A 13 -6.226 -3.058 10.784 1.00 0.00 N ATOM 0 H ARG A 13 -9.841 -3.360 6.540 1.00 0.00 H new ATOM 0 HA ARG A 13 -9.163 -5.641 4.968 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -8.778 -4.901 7.904 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -8.123 -6.364 7.195 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -6.882 -5.000 5.501 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -7.555 -3.531 6.180 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -5.876 -5.533 7.773 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -5.225 -4.084 7.034 1.00 0.00 H new ATOM 0 HE ARG A 13 -7.382 -3.167 8.576 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -4.452 -5.044 9.037 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -4.218 -4.510 10.705 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -7.070 -2.488 10.721 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -5.686 -3.077 11.649 1.00 0.00 H new ATOM 225 N ALA A 14 -11.538 -5.938 7.204 1.00 0.00 N ATOM 226 CA ALA A 14 -12.599 -6.814 7.685 1.00 0.00 C ATOM 227 C ALA A 14 -13.573 -7.137 6.562 1.00 0.00 C ATOM 228 O ALA A 14 -14.436 -8.002 6.705 1.00 0.00 O ATOM 229 CB ALA A 14 -13.352 -6.147 8.841 1.00 0.00 C ATOM 0 H ALA A 14 -11.569 -4.991 7.581 1.00 0.00 H new ATOM 0 HA ALA A 14 -12.145 -7.740 8.038 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -14.142 -6.811 9.192 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -12.659 -5.944 9.658 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -13.791 -5.211 8.497 1.00 0.00 H new ATOM 235 N LYS A 15 -13.431 -6.436 5.443 1.00 0.00 N ATOM 236 CA LYS A 15 -14.309 -6.661 4.311 1.00 0.00 C ATOM 237 C LYS A 15 -14.221 -8.102 3.841 1.00 0.00 C ATOM 238 O LYS A 15 -15.245 -8.745 3.633 1.00 0.00 O ATOM 239 CB LYS A 15 -13.925 -5.729 3.158 1.00 0.00 C ATOM 240 CG LYS A 15 -14.923 -5.891 1.985 1.00 0.00 C ATOM 241 CD LYS A 15 -14.290 -6.743 0.882 1.00 0.00 C ATOM 242 CE LYS A 15 -15.282 -6.904 -0.257 1.00 0.00 C ATOM 243 NZ LYS A 15 -14.681 -7.758 -1.319 1.00 0.00 N ATOM 0 H LYS A 15 -12.723 -5.716 5.300 1.00 0.00 H new ATOM 0 HA LYS A 15 -15.332 -6.454 4.626 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -13.922 -4.695 3.502 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -12.914 -5.955 2.819 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -15.841 -6.360 2.338 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -15.197 -4.913 1.590 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -13.377 -6.271 0.520 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -14.009 -7.720 1.276 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -16.204 -7.355 0.110 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -15.545 -5.928 -0.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -14.677 -7.240 -2.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -13.705 -8.003 -1.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -15.240 -8.629 -1.422 1.00 0.00 H new ATOM 257 N VAL A 16 -12.998 -8.607 3.695 1.00 0.00 N ATOM 258 CA VAL A 16 -12.788 -9.987 3.259 1.00 0.00 C ATOM 259 C VAL A 16 -13.609 -10.299 2.005 1.00 0.00 C ATOM 260 O VAL A 16 -14.835 -10.240 2.014 1.00 0.00 O ATOM 261 CB VAL A 16 -13.178 -10.948 4.382 1.00 0.00 C ATOM 262 CG1 VAL A 16 -12.855 -12.382 3.965 1.00 0.00 C ATOM 263 CG2 VAL A 16 -12.394 -10.597 5.650 1.00 0.00 C ATOM 0 H VAL A 16 -12.140 -8.084 3.871 1.00 0.00 H new ATOM 0 HA VAL A 16 -11.732 -10.113 3.018 1.00 0.00 H new ATOM 0 HB VAL A 16 -14.247 -10.860 4.578 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -13.134 -13.066 4.767 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -13.414 -12.633 3.063 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -11.787 -12.471 3.767 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -12.672 -11.282 6.451 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -11.325 -10.684 5.453 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -12.626 -9.575 5.950 1.00 0.00 H new ATOM 273 N PHE A 17 -12.924 -10.642 0.926 1.00 0.00 N ATOM 274 CA PHE A 17 -13.611 -10.959 -0.320 1.00 0.00 C ATOM 275 C PHE A 17 -14.405 -12.252 -0.177 1.00 0.00 C ATOM 276 O PHE A 17 -13.922 -13.229 0.397 1.00 0.00 O ATOM 277 CB PHE A 17 -12.588 -11.110 -1.448 1.00 0.00 C ATOM 278 CG PHE A 17 -11.995 -9.760 -1.776 1.00 0.00 C ATOM 279 CD1 PHE A 17 -12.644 -8.912 -2.682 1.00 0.00 C ATOM 280 CD2 PHE A 17 -10.798 -9.357 -1.173 1.00 0.00 C ATOM 281 CE1 PHE A 17 -12.095 -7.661 -2.985 1.00 0.00 C ATOM 282 CE2 PHE A 17 -10.248 -8.105 -1.477 1.00 0.00 C ATOM 283 CZ PHE A 17 -10.897 -7.258 -2.382 1.00 0.00 C ATOM 0 H PHE A 17 -11.907 -10.708 0.885 1.00 0.00 H new ATOM 0 HA PHE A 17 -14.299 -10.147 -0.555 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -11.801 -11.802 -1.149 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -13.065 -11.534 -2.332 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -13.568 -9.223 -3.147 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -10.299 -10.011 -0.474 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -12.595 -7.007 -3.684 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -9.324 -7.794 -1.013 1.00 0.00 H new ATOM 0 HZ PHE A 17 -10.474 -6.292 -2.616 1.00 0.00 H new ATOM 293 N ALA A 18 -15.629 -12.248 -0.695 1.00 0.00 N ATOM 294 CA ALA A 18 -16.487 -13.424 -0.612 1.00 0.00 C ATOM 295 C ALA A 18 -16.597 -13.904 0.828 1.00 0.00 C ATOM 296 O ALA A 18 -16.555 -15.103 1.104 1.00 0.00 O ATOM 297 CB ALA A 18 -15.924 -14.546 -1.481 1.00 0.00 C ATOM 0 H ALA A 18 -16.047 -11.450 -1.173 1.00 0.00 H new ATOM 0 HA ALA A 18 -17.479 -13.151 -0.971 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -16.572 -15.420 -1.412 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -15.873 -14.213 -2.518 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -14.924 -14.808 -1.135 1.00 0.00 H new ATOM 303 N LYS A 19 -16.737 -12.958 1.743 1.00 0.00 N ATOM 304 CA LYS A 19 -16.848 -13.284 3.148 1.00 0.00 C ATOM 305 C LYS A 19 -17.818 -14.453 3.364 1.00 0.00 C ATOM 306 O LYS A 19 -18.678 -14.724 2.526 1.00 0.00 O ATOM 307 CB LYS A 19 -17.324 -12.058 3.959 1.00 0.00 C ATOM 308 CG LYS A 19 -18.207 -11.181 3.077 1.00 0.00 C ATOM 309 CD LYS A 19 -19.376 -12.015 2.529 1.00 0.00 C ATOM 310 CE LYS A 19 -20.516 -11.086 2.117 1.00 0.00 C ATOM 311 NZ LYS A 19 -21.168 -10.537 3.337 1.00 0.00 N ATOM 0 H LYS A 19 -16.776 -11.960 1.534 1.00 0.00 H new ATOM 0 HA LYS A 19 -15.859 -13.578 3.498 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -17.878 -12.383 4.839 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -16.466 -11.488 4.315 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -18.587 -10.336 3.651 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -17.623 -10.770 2.254 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -19.046 -12.605 1.674 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -19.722 -12.718 3.287 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -20.133 -10.274 1.498 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -21.244 -11.630 1.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -22.154 -10.287 3.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -21.149 -11.252 4.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -20.657 -9.688 3.651 1.00 0.00 H new ATOM 325 N PRO A 20 -17.715 -15.126 4.483 1.00 0.00 N ATOM 326 CA PRO A 20 -18.620 -16.267 4.818 1.00 0.00 C ATOM 327 C PRO A 20 -20.094 -15.855 4.806 1.00 0.00 C ATOM 328 O PRO A 20 -20.431 -14.700 5.068 1.00 0.00 O ATOM 329 CB PRO A 20 -18.180 -16.679 6.237 1.00 0.00 C ATOM 330 CG PRO A 20 -16.793 -16.144 6.397 1.00 0.00 C ATOM 331 CD PRO A 20 -16.717 -14.892 5.544 1.00 0.00 C ATOM 0 HA PRO A 20 -18.544 -17.076 4.091 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -18.850 -16.265 6.991 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -18.199 -17.762 6.354 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -16.583 -15.916 7.442 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -16.054 -16.878 6.076 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -16.951 -13.999 6.123 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -15.719 -14.751 5.130 1.00 0.00 H new ATOM 339 N ILE A 21 -20.963 -16.811 4.501 1.00 0.00 N ATOM 340 CA ILE A 21 -22.394 -16.541 4.461 1.00 0.00 C ATOM 341 C ILE A 21 -22.921 -16.218 5.854 1.00 0.00 C ATOM 342 O ILE A 21 -22.368 -16.670 6.857 1.00 0.00 O ATOM 343 CB ILE A 21 -23.138 -17.755 3.899 1.00 0.00 C ATOM 344 CG1 ILE A 21 -22.789 -18.998 4.726 1.00 0.00 C ATOM 345 CG2 ILE A 21 -22.722 -17.980 2.444 1.00 0.00 C ATOM 346 CD1 ILE A 21 -23.701 -20.155 4.319 1.00 0.00 C ATOM 0 H ILE A 21 -20.704 -17.772 4.279 1.00 0.00 H new ATOM 0 HA ILE A 21 -22.563 -15.679 3.815 1.00 0.00 H new ATOM 0 HB ILE A 21 -24.212 -17.576 3.947 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -21.746 -19.271 4.569 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -22.906 -18.785 5.789 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -23.252 -18.844 2.044 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -22.970 -17.097 1.854 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -21.648 -18.159 2.396 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -23.453 -21.038 4.907 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -24.740 -19.880 4.499 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -23.562 -20.373 3.260 1.00 0.00 H new ATOM 358 N GLY A 22 -23.995 -15.437 5.910 1.00 0.00 N ATOM 359 CA GLY A 22 -24.590 -15.059 7.188 1.00 0.00 C ATOM 360 C GLY A 22 -23.900 -13.832 7.768 1.00 0.00 C ATOM 361 O GLY A 22 -24.011 -13.552 8.961 1.00 0.00 O ATOM 0 H GLY A 22 -24.469 -15.055 5.091 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -25.652 -14.854 7.053 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -24.513 -15.890 7.889 1.00 0.00 H new ATOM 365 N ALA A 23 -23.188 -13.099 6.916 1.00 0.00 N ATOM 366 CA ALA A 23 -22.485 -11.898 7.354 1.00 0.00 C ATOM 367 C ALA A 23 -21.809 -12.128 8.703 1.00 0.00 C ATOM 368 O ALA A 23 -22.305 -11.689 9.740 1.00 0.00 O ATOM 369 CB ALA A 23 -23.470 -10.733 7.471 1.00 0.00 C ATOM 0 H ALA A 23 -23.083 -13.314 5.924 1.00 0.00 H new ATOM 0 HA ALA A 23 -21.720 -11.660 6.615 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -22.939 -9.839 7.798 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -23.930 -10.547 6.501 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -24.244 -10.982 8.197 1.00 0.00 H new ATOM 375 N SER A 24 -20.672 -12.817 8.678 1.00 0.00 N ATOM 376 CA SER A 24 -19.932 -13.099 9.905 1.00 0.00 C ATOM 377 C SER A 24 -19.072 -11.901 10.294 1.00 0.00 C ATOM 378 O SER A 24 -18.586 -11.815 11.420 1.00 0.00 O ATOM 379 CB SER A 24 -19.045 -14.329 9.707 1.00 0.00 C ATOM 380 OG SER A 24 -19.848 -15.500 9.761 1.00 0.00 O ATOM 0 H SER A 24 -20.245 -13.188 7.829 1.00 0.00 H new ATOM 0 HA SER A 24 -20.646 -13.294 10.705 1.00 0.00 H new ATOM 0 HB2 SER A 24 -18.531 -14.270 8.748 1.00 0.00 H new ATOM 0 HB3 SER A 24 -18.276 -14.365 10.479 1.00 0.00 H new ATOM 0 HG SER A 24 -19.283 -16.290 9.633 1.00 0.00 H new ATOM 386 N TYR A 25 -18.878 -10.986 9.351 1.00 0.00 N ATOM 387 CA TYR A 25 -18.061 -9.804 9.603 1.00 0.00 C ATOM 388 C TYR A 25 -18.806 -8.819 10.497 1.00 0.00 C ATOM 389 O TYR A 25 -18.201 -7.932 11.098 1.00 0.00 O ATOM 390 CB TYR A 25 -17.700 -9.124 8.279 1.00 0.00 C ATOM 391 CG TYR A 25 -18.949 -8.555 7.647 1.00 0.00 C ATOM 392 CD1 TYR A 25 -19.755 -9.364 6.837 1.00 0.00 C ATOM 393 CD2 TYR A 25 -19.301 -7.220 7.875 1.00 0.00 C ATOM 394 CE1 TYR A 25 -20.913 -8.836 6.253 1.00 0.00 C ATOM 395 CE2 TYR A 25 -20.458 -6.692 7.291 1.00 0.00 C ATOM 396 CZ TYR A 25 -21.264 -7.500 6.480 1.00 0.00 C ATOM 397 OH TYR A 25 -22.405 -6.980 5.905 1.00 0.00 O ATOM 0 H TYR A 25 -19.272 -11.038 8.412 1.00 0.00 H new ATOM 0 HA TYR A 25 -17.148 -10.118 10.109 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -16.973 -8.330 8.452 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -17.233 -9.842 7.605 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -19.484 -10.395 6.663 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -18.680 -6.597 8.502 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -21.535 -9.459 5.628 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -20.729 -5.661 7.466 1.00 0.00 H new ATOM 0 HH TYR A 25 -22.503 -6.040 6.165 1.00 0.00 H new ATOM 407 N GLN A 26 -20.123 -8.976 10.573 1.00 0.00 N ATOM 408 CA GLN A 26 -20.941 -8.087 11.391 1.00 0.00 C ATOM 409 C GLN A 26 -20.541 -8.190 12.859 1.00 0.00 C ATOM 410 O GLN A 26 -20.411 -7.178 13.548 1.00 0.00 O ATOM 411 CB GLN A 26 -22.418 -8.453 11.237 1.00 0.00 C ATOM 412 CG GLN A 26 -23.271 -7.496 12.072 1.00 0.00 C ATOM 413 CD GLN A 26 -24.750 -7.716 11.769 1.00 0.00 C ATOM 414 OE1 GLN A 26 -25.093 -8.313 10.750 1.00 0.00 O ATOM 415 NE2 GLN A 26 -25.650 -7.265 12.600 1.00 0.00 N ATOM 0 H GLN A 26 -20.644 -9.704 10.083 1.00 0.00 H new ATOM 0 HA GLN A 26 -20.781 -7.063 11.054 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -22.710 -8.397 10.188 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -22.584 -9.481 11.559 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -23.081 -7.658 13.133 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -22.996 -6.464 11.852 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -25.362 -6.770 13.444 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -26.641 -7.407 12.405 1.00 0.00 H new ATOM 424 N GLY A 27 -20.341 -9.415 13.329 1.00 0.00 N ATOM 425 CA GLY A 27 -19.947 -9.637 14.716 1.00 0.00 C ATOM 426 C GLY A 27 -18.552 -9.083 14.983 1.00 0.00 C ATOM 427 O GLY A 27 -18.245 -8.652 16.095 1.00 0.00 O ATOM 0 H GLY A 27 -20.444 -10.265 12.775 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -20.665 -9.160 15.383 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -19.967 -10.704 14.937 1.00 0.00 H new ATOM 431 N ILE A 28 -17.707 -9.107 13.959 1.00 0.00 N ATOM 432 CA ILE A 28 -16.342 -8.611 14.088 1.00 0.00 C ATOM 433 C ILE A 28 -16.336 -7.102 14.234 1.00 0.00 C ATOM 434 O ILE A 28 -15.389 -6.527 14.750 1.00 0.00 O ATOM 435 CB ILE A 28 -15.513 -9.017 12.870 1.00 0.00 C ATOM 436 CG1 ILE A 28 -15.682 -10.519 12.619 1.00 0.00 C ATOM 437 CG2 ILE A 28 -14.036 -8.707 13.125 1.00 0.00 C ATOM 438 CD1 ILE A 28 -15.354 -11.309 13.895 1.00 0.00 C ATOM 0 H ILE A 28 -17.942 -9.464 13.033 1.00 0.00 H new ATOM 0 HA ILE A 28 -15.901 -9.052 14.982 1.00 0.00 H new ATOM 0 HB ILE A 28 -15.853 -8.459 11.998 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -16.704 -10.730 12.304 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -15.027 -10.836 11.808 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -13.448 -8.998 12.255 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -13.914 -7.639 13.305 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -13.693 -9.263 13.997 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -15.478 -12.375 13.705 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -14.324 -11.110 14.191 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -16.027 -11.003 14.696 1.00 0.00 H new ATOM 450 N LEU A 29 -17.393 -6.461 13.760 1.00 0.00 N ATOM 451 CA LEU A 29 -17.493 -5.012 13.844 1.00 0.00 C ATOM 452 C LEU A 29 -18.229 -4.593 15.113 1.00 0.00 C ATOM 453 O LEU A 29 -17.836 -3.640 15.785 1.00 0.00 O ATOM 454 CB LEU A 29 -18.239 -4.479 12.622 1.00 0.00 C ATOM 455 CG LEU A 29 -18.425 -2.949 12.756 1.00 0.00 C ATOM 456 CD1 LEU A 29 -18.111 -2.265 11.422 1.00 0.00 C ATOM 457 CD2 LEU A 29 -19.873 -2.633 13.156 1.00 0.00 C ATOM 0 H LEU A 29 -18.189 -6.918 13.316 1.00 0.00 H new ATOM 0 HA LEU A 29 -16.486 -4.596 13.873 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -17.682 -4.710 11.714 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -19.209 -4.967 12.534 1.00 0.00 H new ATOM 0 HG LEU A 29 -17.745 -2.579 13.523 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -18.244 -1.188 11.525 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -17.080 -2.477 11.138 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -18.785 -2.642 10.652 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -19.998 -1.554 13.249 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -20.552 -3.012 12.393 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -20.099 -3.108 14.111 1.00 0.00 H new ATOM 469 N ASP A 30 -19.309 -5.303 15.424 1.00 0.00 N ATOM 470 CA ASP A 30 -20.103 -4.985 16.606 1.00 0.00 C ATOM 471 C ASP A 30 -19.252 -5.062 17.866 1.00 0.00 C ATOM 472 O ASP A 30 -19.321 -4.187 18.728 1.00 0.00 O ATOM 473 CB ASP A 30 -21.278 -5.961 16.722 1.00 0.00 C ATOM 474 CG ASP A 30 -22.123 -5.617 17.944 1.00 0.00 C ATOM 475 OD1 ASP A 30 -21.718 -4.748 18.697 1.00 0.00 O ATOM 476 OD2 ASP A 30 -23.165 -6.229 18.108 1.00 0.00 O ATOM 0 H ASP A 30 -19.652 -6.095 14.880 1.00 0.00 H new ATOM 0 HA ASP A 30 -20.481 -3.968 16.501 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -21.890 -5.915 15.821 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -20.906 -6.983 16.802 1.00 0.00 H new ATOM 481 N GLN A 31 -18.463 -6.123 17.977 1.00 0.00 N ATOM 482 CA GLN A 31 -17.620 -6.305 19.152 1.00 0.00 C ATOM 483 C GLN A 31 -16.577 -5.200 19.246 1.00 0.00 C ATOM 484 O GLN A 31 -16.283 -4.700 20.332 1.00 0.00 O ATOM 485 CB GLN A 31 -16.931 -7.691 19.086 1.00 0.00 C ATOM 486 CG GLN A 31 -17.348 -8.543 20.287 1.00 0.00 C ATOM 487 CD GLN A 31 -18.834 -8.872 20.197 1.00 0.00 C ATOM 488 OE1 GLN A 31 -19.676 -8.057 20.575 1.00 0.00 O ATOM 489 NE2 GLN A 31 -19.207 -10.022 19.713 1.00 0.00 N ATOM 0 H GLN A 31 -18.389 -6.862 17.278 1.00 0.00 H new ATOM 0 HA GLN A 31 -18.245 -6.255 20.044 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -17.202 -8.197 18.159 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -15.848 -7.567 19.076 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -16.764 -9.463 20.312 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -17.140 -8.008 21.214 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -18.507 -10.695 19.401 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -20.199 -10.250 19.646 1.00 0.00 H new ATOM 498 N LEU A 32 -16.008 -4.838 18.110 1.00 0.00 N ATOM 499 CA LEU A 32 -14.988 -3.802 18.079 1.00 0.00 C ATOM 500 C LEU A 32 -15.555 -2.491 18.567 1.00 0.00 C ATOM 501 O LEU A 32 -14.912 -1.783 19.319 1.00 0.00 O ATOM 502 CB LEU A 32 -14.440 -3.645 16.646 1.00 0.00 C ATOM 503 CG LEU A 32 -13.247 -4.594 16.435 1.00 0.00 C ATOM 504 CD1 LEU A 32 -12.008 -4.051 17.187 1.00 0.00 C ATOM 505 CD2 LEU A 32 -13.590 -6.012 16.953 1.00 0.00 C ATOM 0 H LEU A 32 -16.232 -5.243 17.201 1.00 0.00 H new ATOM 0 HA LEU A 32 -14.172 -4.094 18.740 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -15.224 -3.865 15.921 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -14.130 -2.614 16.477 1.00 0.00 H new ATOM 0 HG LEU A 32 -13.028 -4.651 15.369 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -11.166 -4.726 17.035 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -11.755 -3.062 16.804 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -12.230 -3.982 18.252 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -12.737 -6.672 16.797 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -13.823 -5.964 18.017 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -14.452 -6.399 16.410 1.00 0.00 H new ATOM 517 N ASP A 33 -16.753 -2.177 18.136 1.00 0.00 N ATOM 518 CA ASP A 33 -17.396 -0.938 18.549 1.00 0.00 C ATOM 519 C ASP A 33 -17.676 -0.969 20.045 1.00 0.00 C ATOM 520 O ASP A 33 -17.636 0.064 20.716 1.00 0.00 O ATOM 521 CB ASP A 33 -18.705 -0.751 17.773 1.00 0.00 C ATOM 522 CG ASP A 33 -18.418 -0.181 16.382 1.00 0.00 C ATOM 523 OD1 ASP A 33 -17.296 0.229 16.145 1.00 0.00 O ATOM 524 OD2 ASP A 33 -19.332 -0.169 15.575 1.00 0.00 O ATOM 0 H ASP A 33 -17.306 -2.754 17.502 1.00 0.00 H new ATOM 0 HA ASP A 33 -16.731 -0.102 18.334 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -19.222 -1.706 17.683 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -19.368 -0.080 18.319 1.00 0.00 H new ATOM 529 N LEU A 34 -17.987 -2.153 20.557 1.00 0.00 N ATOM 530 CA LEU A 34 -18.295 -2.299 21.968 1.00 0.00 C ATOM 531 C LEU A 34 -17.079 -1.982 22.828 1.00 0.00 C ATOM 532 O LEU A 34 -17.194 -1.356 23.877 1.00 0.00 O ATOM 533 CB LEU A 34 -18.774 -3.729 22.261 1.00 0.00 C ATOM 534 CG LEU A 34 -19.019 -3.904 23.769 1.00 0.00 C ATOM 535 CD1 LEU A 34 -20.033 -2.860 24.255 1.00 0.00 C ATOM 536 CD2 LEU A 34 -19.559 -5.310 24.034 1.00 0.00 C ATOM 0 H LEU A 34 -18.032 -3.018 20.019 1.00 0.00 H new ATOM 0 HA LEU A 34 -19.088 -1.593 22.214 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -19.691 -3.934 21.709 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -18.029 -4.448 21.920 1.00 0.00 H new ATOM 0 HG LEU A 34 -18.081 -3.767 24.307 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -20.203 -2.988 25.324 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -19.644 -1.859 24.067 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -20.974 -2.990 23.720 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -19.734 -5.437 25.102 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -20.496 -5.448 23.494 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -18.833 -6.049 23.695 1.00 0.00 H new ATOM 548 N VAL A 35 -15.921 -2.457 22.397 1.00 0.00 N ATOM 549 CA VAL A 35 -14.700 -2.250 23.158 1.00 0.00 C ATOM 550 C VAL A 35 -14.472 -0.758 23.402 1.00 0.00 C ATOM 551 O VAL A 35 -13.805 -0.367 24.362 1.00 0.00 O ATOM 552 CB VAL A 35 -13.501 -2.850 22.392 1.00 0.00 C ATOM 553 CG1 VAL A 35 -12.862 -1.792 21.472 1.00 0.00 C ATOM 554 CG2 VAL A 35 -12.449 -3.356 23.387 1.00 0.00 C ATOM 0 H VAL A 35 -15.801 -2.984 21.532 1.00 0.00 H new ATOM 0 HA VAL A 35 -14.796 -2.749 24.122 1.00 0.00 H new ATOM 0 HB VAL A 35 -13.861 -3.679 21.783 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -12.019 -2.233 20.941 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -13.601 -1.442 20.752 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -12.513 -0.951 22.072 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -11.605 -3.778 22.841 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -12.103 -2.527 24.004 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -12.890 -4.123 24.024 1.00 0.00 H new ATOM 564 N HIS A 36 -14.997 0.063 22.497 1.00 0.00 N ATOM 565 CA HIS A 36 -14.823 1.503 22.601 1.00 0.00 C ATOM 566 C HIS A 36 -15.796 2.078 23.616 1.00 0.00 C ATOM 567 O HIS A 36 -15.444 2.960 24.396 1.00 0.00 O ATOM 568 CB HIS A 36 -15.054 2.160 21.236 1.00 0.00 C ATOM 569 CG HIS A 36 -13.947 1.771 20.294 1.00 0.00 C ATOM 570 ND1 HIS A 36 -14.096 0.766 19.352 1.00 0.00 N ATOM 571 CD2 HIS A 36 -12.667 2.244 20.135 1.00 0.00 C ATOM 572 CE1 HIS A 36 -12.937 0.667 18.676 1.00 0.00 C ATOM 573 NE2 HIS A 36 -12.032 1.545 19.114 1.00 0.00 N ATOM 0 H HIS A 36 -15.542 -0.244 21.691 1.00 0.00 H new ATOM 0 HA HIS A 36 -13.804 1.708 22.930 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -16.017 1.849 20.830 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -15.089 3.244 21.344 1.00 0.00 H new ATOM 0 HD1 HIS A 36 -14.933 0.203 19.199 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -12.221 3.038 20.715 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -12.760 -0.037 17.876 1.00 0.00 H new ATOM 581 N GLN A 37 -17.024 1.566 23.603 1.00 0.00 N ATOM 582 CA GLN A 37 -18.046 2.034 24.534 1.00 0.00 C ATOM 583 C GLN A 37 -17.929 1.307 25.870 1.00 0.00 C ATOM 584 O GLN A 37 -18.394 1.799 26.898 1.00 0.00 O ATOM 585 CB GLN A 37 -19.437 1.796 23.944 1.00 0.00 C ATOM 586 CG GLN A 37 -19.625 2.677 22.708 1.00 0.00 C ATOM 587 CD GLN A 37 -20.976 2.388 22.063 1.00 0.00 C ATOM 588 OE1 GLN A 37 -21.454 1.255 22.101 1.00 0.00 O ATOM 589 NE2 GLN A 37 -21.623 3.353 21.466 1.00 0.00 N ATOM 0 H GLN A 37 -17.333 0.834 22.964 1.00 0.00 H new ATOM 0 HA GLN A 37 -17.898 3.101 24.700 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -19.555 0.746 23.677 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -20.202 2.024 24.686 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -19.564 3.729 22.988 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -18.824 2.490 21.993 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -21.225 4.292 21.436 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -22.526 3.168 21.030 1.00 0.00 H new ATOM 598 N ALA A 38 -17.304 0.135 25.848 1.00 0.00 N ATOM 599 CA ALA A 38 -17.130 -0.654 27.061 1.00 0.00 C ATOM 600 C ALA A 38 -16.004 -0.085 27.915 1.00 0.00 C ATOM 601 O ALA A 38 -15.145 0.647 27.422 1.00 0.00 O ATOM 602 CB ALA A 38 -16.819 -2.107 26.703 1.00 0.00 C ATOM 0 H ALA A 38 -16.911 -0.288 25.007 1.00 0.00 H new ATOM 0 HA ALA A 38 -18.058 -0.614 27.631 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -16.691 -2.687 27.617 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -17.642 -2.523 26.121 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -15.902 -2.149 26.115 1.00 0.00 H new ATOM 608 N LYS A 39 -16.010 -0.433 29.199 1.00 0.00 N ATOM 609 CA LYS A 39 -14.981 0.043 30.108 1.00 0.00 C ATOM 610 C LYS A 39 -14.919 -0.832 31.356 1.00 0.00 C ATOM 611 O LYS A 39 -15.949 -1.238 31.891 1.00 0.00 O ATOM 612 CB LYS A 39 -15.269 1.491 30.514 1.00 0.00 C ATOM 613 CG LYS A 39 -14.062 2.076 31.269 1.00 0.00 C ATOM 614 CD LYS A 39 -12.973 2.496 30.272 1.00 0.00 C ATOM 615 CE LYS A 39 -11.937 3.352 30.984 1.00 0.00 C ATOM 616 NZ LYS A 39 -12.553 4.648 31.381 1.00 0.00 N ATOM 0 H LYS A 39 -16.711 -1.038 29.627 1.00 0.00 H new ATOM 0 HA LYS A 39 -14.021 -0.007 29.594 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -15.480 2.091 29.628 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -16.157 1.531 31.145 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -14.375 2.935 31.862 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -13.664 1.337 31.965 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -12.498 1.614 29.842 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -13.416 3.053 29.447 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -11.562 2.831 31.865 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -11.083 3.528 30.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -11.814 5.376 31.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -13.253 4.933 30.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -13.023 4.541 32.303 1.00 0.00 H new ATOM 630 N GLY A 40 -13.702 -1.111 31.817 1.00 0.00 N ATOM 631 CA GLY A 40 -13.520 -1.935 33.005 1.00 0.00 C ATOM 632 C GLY A 40 -13.811 -3.400 32.700 1.00 0.00 C ATOM 633 O GLY A 40 -13.218 -3.986 31.795 1.00 0.00 O ATOM 0 H GLY A 40 -12.836 -0.782 31.390 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -12.499 -1.831 33.371 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -14.180 -1.586 33.799 1.00 0.00 H new ATOM 637 N ARG A 41 -14.717 -3.990 33.470 1.00 0.00 N ATOM 638 CA ARG A 41 -15.072 -5.393 33.283 1.00 0.00 C ATOM 639 C ARG A 41 -15.712 -5.607 31.919 1.00 0.00 C ATOM 640 O ARG A 41 -15.507 -6.639 31.282 1.00 0.00 O ATOM 641 CB ARG A 41 -16.040 -5.842 34.380 1.00 0.00 C ATOM 642 CG ARG A 41 -15.294 -5.935 35.716 1.00 0.00 C ATOM 643 CD ARG A 41 -14.861 -4.534 36.171 1.00 0.00 C ATOM 644 NE ARG A 41 -14.641 -4.516 37.609 1.00 0.00 N ATOM 645 CZ ARG A 41 -13.909 -3.564 38.177 1.00 0.00 C ATOM 646 NH1 ARG A 41 -13.372 -2.629 37.441 1.00 0.00 N ATOM 647 NH2 ARG A 41 -13.728 -3.564 39.468 1.00 0.00 N ATOM 0 H ARG A 41 -15.217 -3.523 34.226 1.00 0.00 H new ATOM 0 HA ARG A 41 -14.160 -5.987 33.341 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -16.866 -5.136 34.462 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -16.472 -6.810 34.125 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -15.936 -6.390 36.470 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -14.421 -6.579 35.611 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -13.948 -4.242 35.653 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -15.626 -3.805 35.904 1.00 0.00 H new ATOM 0 HE ARG A 41 -15.055 -5.245 38.190 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -13.515 -2.630 36.431 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -12.810 -1.897 37.876 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -14.148 -4.295 40.042 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -13.166 -2.833 39.904 1.00 0.00 H new ATOM 661 N ASP A 42 -16.499 -4.631 31.482 1.00 0.00 N ATOM 662 CA ASP A 42 -17.176 -4.730 30.196 1.00 0.00 C ATOM 663 C ASP A 42 -16.162 -4.811 29.060 1.00 0.00 C ATOM 664 O ASP A 42 -16.361 -5.539 28.089 1.00 0.00 O ATOM 665 CB ASP A 42 -18.079 -3.512 29.989 1.00 0.00 C ATOM 666 CG ASP A 42 -19.019 -3.754 28.812 1.00 0.00 C ATOM 667 OD1 ASP A 42 -19.173 -4.901 28.426 1.00 0.00 O ATOM 668 OD2 ASP A 42 -19.573 -2.788 28.312 1.00 0.00 O ATOM 0 H ASP A 42 -16.683 -3.769 31.995 1.00 0.00 H new ATOM 0 HA ASP A 42 -17.780 -5.637 30.193 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -18.657 -3.319 30.893 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -17.472 -2.626 29.804 1.00 0.00 H new ATOM 673 N GLN A 43 -15.076 -4.056 29.186 1.00 0.00 N ATOM 674 CA GLN A 43 -14.040 -4.051 28.159 1.00 0.00 C ATOM 675 C GLN A 43 -13.350 -5.410 28.085 1.00 0.00 C ATOM 676 O GLN A 43 -13.036 -5.899 27.000 1.00 0.00 O ATOM 677 CB GLN A 43 -13.003 -2.970 28.470 1.00 0.00 C ATOM 678 CG GLN A 43 -12.016 -2.857 27.308 1.00 0.00 C ATOM 679 CD GLN A 43 -10.970 -1.790 27.614 1.00 0.00 C ATOM 680 OE1 GLN A 43 -11.187 -0.933 28.471 1.00 0.00 O ATOM 681 NE2 GLN A 43 -9.840 -1.793 26.961 1.00 0.00 N ATOM 0 H GLN A 43 -14.891 -3.445 29.981 1.00 0.00 H new ATOM 0 HA GLN A 43 -14.510 -3.841 27.198 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -13.498 -2.013 28.634 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -12.471 -3.215 29.389 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -11.529 -3.817 27.139 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -12.548 -2.604 26.391 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -9.663 -2.504 26.252 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -9.134 -1.084 27.160 1.00 0.00 H new ATOM 690 N ILE A 44 -13.113 -6.010 29.244 1.00 0.00 N ATOM 691 CA ILE A 44 -12.451 -7.308 29.302 1.00 0.00 C ATOM 692 C ILE A 44 -13.315 -8.376 28.635 1.00 0.00 C ATOM 693 O ILE A 44 -12.812 -9.229 27.904 1.00 0.00 O ATOM 694 CB ILE A 44 -12.183 -7.698 30.757 1.00 0.00 C ATOM 695 CG1 ILE A 44 -11.149 -6.740 31.356 1.00 0.00 C ATOM 696 CG2 ILE A 44 -11.638 -9.129 30.812 1.00 0.00 C ATOM 697 CD1 ILE A 44 -11.061 -6.960 32.868 1.00 0.00 C ATOM 0 H ILE A 44 -13.367 -5.622 30.152 1.00 0.00 H new ATOM 0 HA ILE A 44 -11.503 -7.236 28.769 1.00 0.00 H new ATOM 0 HB ILE A 44 -13.111 -7.640 31.325 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -10.175 -6.907 30.897 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -11.429 -5.708 31.144 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -11.447 -9.406 31.849 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -12.369 -9.814 30.382 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -10.709 -9.187 30.244 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -10.325 -6.278 33.293 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -12.034 -6.771 33.320 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -10.761 -7.988 33.069 1.00 0.00 H new ATOM 709 N ALA A 45 -14.616 -8.329 28.902 1.00 0.00 N ATOM 710 CA ALA A 45 -15.536 -9.305 28.332 1.00 0.00 C ATOM 711 C ALA A 45 -15.402 -9.344 26.812 1.00 0.00 C ATOM 712 O ALA A 45 -15.424 -10.414 26.208 1.00 0.00 O ATOM 713 CB ALA A 45 -16.975 -8.943 28.707 1.00 0.00 C ATOM 0 H ALA A 45 -15.054 -7.632 29.504 1.00 0.00 H new ATOM 0 HA ALA A 45 -15.289 -10.288 28.733 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -17.658 -9.676 28.278 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -17.079 -8.941 29.792 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -17.214 -7.953 28.318 1.00 0.00 H new ATOM 719 N ALA A 46 -15.253 -8.172 26.203 1.00 0.00 N ATOM 720 CA ALA A 46 -15.111 -8.085 24.756 1.00 0.00 C ATOM 721 C ALA A 46 -13.850 -8.805 24.299 1.00 0.00 C ATOM 722 O ALA A 46 -13.841 -9.466 23.261 1.00 0.00 O ATOM 723 CB ALA A 46 -15.054 -6.618 24.326 1.00 0.00 C ATOM 0 H ALA A 46 -15.228 -7.274 26.687 1.00 0.00 H new ATOM 0 HA ALA A 46 -15.974 -8.564 24.293 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -14.948 -6.560 23.243 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -15.972 -6.114 24.628 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -14.201 -6.133 24.801 1.00 0.00 H new ATOM 729 N SER A 47 -12.783 -8.668 25.081 1.00 0.00 N ATOM 730 CA SER A 47 -11.520 -9.307 24.746 1.00 0.00 C ATOM 731 C SER A 47 -11.670 -10.823 24.720 1.00 0.00 C ATOM 732 O SER A 47 -11.148 -11.496 23.830 1.00 0.00 O ATOM 733 CB SER A 47 -10.448 -8.918 25.764 1.00 0.00 C ATOM 734 OG SER A 47 -9.214 -9.524 25.402 1.00 0.00 O ATOM 0 H SER A 47 -12.770 -8.124 25.944 1.00 0.00 H new ATOM 0 HA SER A 47 -11.221 -8.967 23.755 1.00 0.00 H new ATOM 0 HB2 SER A 47 -10.338 -7.834 25.797 1.00 0.00 H new ATOM 0 HB3 SER A 47 -10.745 -9.239 26.762 1.00 0.00 H new ATOM 0 HG SER A 47 -8.524 -9.275 26.052 1.00 0.00 H new ATOM 740 N PHE A 48 -12.382 -11.355 25.707 1.00 0.00 N ATOM 741 CA PHE A 48 -12.592 -12.793 25.793 1.00 0.00 C ATOM 742 C PHE A 48 -13.338 -13.301 24.564 1.00 0.00 C ATOM 743 O PHE A 48 -12.966 -14.317 23.978 1.00 0.00 O ATOM 744 CB PHE A 48 -13.392 -13.130 27.053 1.00 0.00 C ATOM 745 CG PHE A 48 -13.625 -14.622 27.121 1.00 0.00 C ATOM 746 CD1 PHE A 48 -12.589 -15.474 27.521 1.00 0.00 C ATOM 747 CD2 PHE A 48 -14.876 -15.152 26.783 1.00 0.00 C ATOM 748 CE1 PHE A 48 -12.804 -16.856 27.583 1.00 0.00 C ATOM 749 CE2 PHE A 48 -15.091 -16.534 26.845 1.00 0.00 C ATOM 750 CZ PHE A 48 -14.056 -17.386 27.245 1.00 0.00 C ATOM 0 H PHE A 48 -12.820 -10.816 26.453 1.00 0.00 H new ATOM 0 HA PHE A 48 -11.618 -13.280 25.840 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -12.853 -12.795 27.939 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -14.346 -12.603 27.042 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -11.624 -15.065 27.782 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -15.675 -14.495 26.474 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -12.005 -17.514 27.891 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -16.056 -16.942 26.584 1.00 0.00 H new ATOM 0 HZ PHE A 48 -14.222 -18.452 27.293 1.00 0.00 H new ATOM 760 N GLU A 49 -14.398 -12.594 24.185 1.00 0.00 N ATOM 761 CA GLU A 49 -15.193 -12.991 23.029 1.00 0.00 C ATOM 762 C GLU A 49 -14.382 -12.837 21.746 1.00 0.00 C ATOM 763 O GLU A 49 -14.358 -13.731 20.904 1.00 0.00 O ATOM 764 CB GLU A 49 -16.455 -12.131 22.944 1.00 0.00 C ATOM 765 CG GLU A 49 -17.407 -12.722 21.905 1.00 0.00 C ATOM 766 CD GLU A 49 -18.659 -11.861 21.795 1.00 0.00 C ATOM 767 OE1 GLU A 49 -18.641 -10.755 22.310 1.00 0.00 O ATOM 768 OE2 GLU A 49 -19.619 -12.318 21.195 1.00 0.00 O ATOM 0 H GLU A 49 -14.724 -11.751 24.657 1.00 0.00 H new ATOM 0 HA GLU A 49 -15.475 -14.038 23.145 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -16.944 -12.087 23.917 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -16.193 -11.108 22.672 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -16.910 -12.781 20.937 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -17.679 -13.739 22.186 1.00 0.00 H new ATOM 775 N LEU A 50 -13.707 -11.704 21.611 1.00 0.00 N ATOM 776 CA LEU A 50 -12.886 -11.454 20.431 1.00 0.00 C ATOM 777 C LEU A 50 -11.758 -12.470 20.335 1.00 0.00 C ATOM 778 O LEU A 50 -11.431 -12.942 19.247 1.00 0.00 O ATOM 779 CB LEU A 50 -12.301 -10.031 20.498 1.00 0.00 C ATOM 780 CG LEU A 50 -13.324 -9.020 19.946 1.00 0.00 C ATOM 781 CD1 LEU A 50 -13.092 -7.649 20.583 1.00 0.00 C ATOM 782 CD2 LEU A 50 -13.153 -8.911 18.419 1.00 0.00 C ATOM 0 H LEU A 50 -13.710 -10.949 22.296 1.00 0.00 H new ATOM 0 HA LEU A 50 -13.513 -11.549 19.545 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -12.048 -9.780 21.528 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -11.378 -9.980 19.921 1.00 0.00 H new ATOM 0 HG LEU A 50 -14.333 -9.358 20.182 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -13.818 -6.937 20.189 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -13.208 -7.726 21.664 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -12.084 -7.305 20.350 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -13.874 -8.197 18.022 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -12.143 -8.572 18.189 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -13.321 -9.887 17.964 1.00 0.00 H new ATOM 794 N ASN A 51 -11.155 -12.786 21.475 1.00 0.00 N ATOM 795 CA ASN A 51 -10.050 -13.735 21.497 1.00 0.00 C ATOM 796 C ASN A 51 -10.492 -15.068 20.908 1.00 0.00 C ATOM 797 O ASN A 51 -9.778 -15.670 20.108 1.00 0.00 O ATOM 798 CB ASN A 51 -9.576 -13.942 22.936 1.00 0.00 C ATOM 799 CG ASN A 51 -8.466 -14.987 22.972 1.00 0.00 C ATOM 800 OD1 ASN A 51 -7.788 -15.207 21.970 1.00 0.00 O ATOM 801 ND2 ASN A 51 -8.240 -15.647 24.075 1.00 0.00 N ATOM 0 H ASN A 51 -11.409 -12.404 22.386 1.00 0.00 H new ATOM 0 HA ASN A 51 -9.230 -13.337 20.899 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -9.214 -13.000 23.348 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -10.410 -14.263 23.560 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -7.499 -16.347 24.108 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -8.804 -15.462 24.905 1.00 0.00 H new ATOM 808 N LYS A 52 -11.683 -15.515 21.292 1.00 0.00 N ATOM 809 CA LYS A 52 -12.216 -16.770 20.777 1.00 0.00 C ATOM 810 C LYS A 52 -12.449 -16.674 19.277 1.00 0.00 C ATOM 811 O LYS A 52 -12.117 -17.594 18.528 1.00 0.00 O ATOM 812 CB LYS A 52 -13.539 -17.098 21.479 1.00 0.00 C ATOM 813 CG LYS A 52 -13.270 -17.353 22.966 1.00 0.00 C ATOM 814 CD LYS A 52 -12.558 -18.723 23.156 1.00 0.00 C ATOM 815 CE LYS A 52 -11.160 -18.499 23.730 1.00 0.00 C ATOM 816 NZ LYS A 52 -10.422 -19.787 23.732 1.00 0.00 N ATOM 0 H LYS A 52 -12.292 -15.032 21.952 1.00 0.00 H new ATOM 0 HA LYS A 52 -11.492 -17.561 20.972 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -14.242 -16.273 21.360 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -13.998 -17.976 21.024 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -12.651 -16.554 23.373 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -14.209 -17.343 23.520 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -13.140 -19.357 23.825 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -12.491 -19.245 22.201 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -10.624 -17.760 23.135 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -11.229 -18.104 24.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -9.469 -19.640 24.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -10.933 -20.479 24.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -10.346 -20.145 22.759 1.00 0.00 H new ATOM 830 N LYS A 53 -13.023 -15.559 18.847 1.00 0.00 N ATOM 831 CA LYS A 53 -13.296 -15.357 17.429 1.00 0.00 C ATOM 832 C LYS A 53 -11.999 -15.301 16.634 1.00 0.00 C ATOM 833 O LYS A 53 -11.863 -15.958 15.602 1.00 0.00 O ATOM 834 CB LYS A 53 -14.071 -14.054 17.227 1.00 0.00 C ATOM 835 CG LYS A 53 -15.481 -14.199 17.803 1.00 0.00 C ATOM 836 CD LYS A 53 -16.330 -12.992 17.391 1.00 0.00 C ATOM 837 CE LYS A 53 -15.857 -11.738 18.117 1.00 0.00 C ATOM 838 NZ LYS A 53 -16.876 -10.664 17.976 1.00 0.00 N ATOM 0 H LYS A 53 -13.306 -14.788 19.451 1.00 0.00 H new ATOM 0 HA LYS A 53 -13.892 -16.197 17.073 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -13.551 -13.230 17.716 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -14.124 -13.812 16.166 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -15.940 -15.119 17.442 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -15.435 -14.271 18.890 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -16.263 -12.843 16.313 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -17.378 -13.181 17.622 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -15.689 -11.958 19.171 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -14.904 -11.405 17.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -16.953 -10.139 18.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -16.592 -10.014 17.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -17.797 -11.088 17.743 1.00 0.00 H new ATOM 852 N ILE A 54 -11.046 -14.512 17.122 1.00 0.00 N ATOM 853 CA ILE A 54 -9.762 -14.383 16.445 1.00 0.00 C ATOM 854 C ILE A 54 -8.990 -15.697 16.514 1.00 0.00 C ATOM 855 O ILE A 54 -8.421 -16.147 15.519 1.00 0.00 O ATOM 856 CB ILE A 54 -8.940 -13.267 17.098 1.00 0.00 C ATOM 857 CG1 ILE A 54 -9.617 -11.918 16.838 1.00 0.00 C ATOM 858 CG2 ILE A 54 -7.528 -13.250 16.503 1.00 0.00 C ATOM 859 CD1 ILE A 54 -8.952 -10.836 17.694 1.00 0.00 C ATOM 0 H ILE A 54 -11.137 -13.959 17.974 1.00 0.00 H new ATOM 0 HA ILE A 54 -9.942 -14.135 15.399 1.00 0.00 H new ATOM 0 HB ILE A 54 -8.878 -13.445 18.172 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -9.540 -11.659 15.782 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -10.679 -11.981 17.074 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -6.946 -12.455 16.970 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -7.044 -14.209 16.686 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -7.588 -13.073 15.429 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -9.435 -9.877 17.508 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -9.052 -11.094 18.748 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -7.895 -10.766 17.436 1.00 0.00 H new ATOM 871 N ASN A 55 -8.972 -16.305 17.696 1.00 0.00 N ATOM 872 CA ASN A 55 -8.269 -17.567 17.880 1.00 0.00 C ATOM 873 C ASN A 55 -8.920 -18.670 17.053 1.00 0.00 C ATOM 874 O ASN A 55 -8.238 -19.465 16.408 1.00 0.00 O ATOM 875 CB ASN A 55 -8.275 -17.959 19.359 1.00 0.00 C ATOM 876 CG ASN A 55 -7.508 -19.263 19.559 1.00 0.00 C ATOM 877 OD1 ASN A 55 -7.336 -20.036 18.617 1.00 0.00 O ATOM 878 ND2 ASN A 55 -7.031 -19.552 20.738 1.00 0.00 N ATOM 0 H ASN A 55 -9.432 -15.947 18.533 1.00 0.00 H new ATOM 0 HA ASN A 55 -7.240 -17.440 17.545 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -7.822 -17.167 19.955 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -9.301 -18.074 19.709 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -6.514 -20.420 20.880 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -7.175 -18.910 21.518 1.00 0.00 H new ATOM 885 N ASP A 56 -10.249 -18.713 17.084 1.00 0.00 N ATOM 886 CA ASP A 56 -10.990 -19.722 16.338 1.00 0.00 C ATOM 887 C ASP A 56 -10.795 -19.531 14.838 1.00 0.00 C ATOM 888 O ASP A 56 -10.679 -20.500 14.088 1.00 0.00 O ATOM 889 CB ASP A 56 -12.480 -19.638 16.677 1.00 0.00 C ATOM 890 CG ASP A 56 -13.265 -20.632 15.829 1.00 0.00 C ATOM 891 OD1 ASP A 56 -13.055 -21.823 15.998 1.00 0.00 O ATOM 892 OD2 ASP A 56 -14.065 -20.189 15.022 1.00 0.00 O ATOM 0 H ASP A 56 -10.831 -18.065 17.615 1.00 0.00 H new ATOM 0 HA ASP A 56 -10.610 -20.704 16.620 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -12.633 -19.850 17.735 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -12.846 -18.627 16.498 1.00 0.00 H new ATOM 897 N TYR A 57 -10.769 -18.274 14.410 1.00 0.00 N ATOM 898 CA TYR A 57 -10.600 -17.962 12.997 1.00 0.00 C ATOM 899 C TYR A 57 -9.321 -18.597 12.463 1.00 0.00 C ATOM 900 O TYR A 57 -9.293 -19.115 11.347 1.00 0.00 O ATOM 901 CB TYR A 57 -10.543 -16.446 12.800 1.00 0.00 C ATOM 902 CG TYR A 57 -10.483 -16.131 11.323 1.00 0.00 C ATOM 903 CD1 TYR A 57 -11.628 -16.284 10.531 1.00 0.00 C ATOM 904 CD2 TYR A 57 -9.287 -15.687 10.746 1.00 0.00 C ATOM 905 CE1 TYR A 57 -11.577 -15.994 9.162 1.00 0.00 C ATOM 906 CE2 TYR A 57 -9.237 -15.396 9.378 1.00 0.00 C ATOM 907 CZ TYR A 57 -10.381 -15.549 8.585 1.00 0.00 C ATOM 908 OH TYR A 57 -10.330 -15.263 7.237 1.00 0.00 O ATOM 0 H TYR A 57 -10.862 -17.460 15.017 1.00 0.00 H new ATOM 0 HA TYR A 57 -11.451 -18.365 12.448 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -11.420 -15.977 13.247 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -9.669 -16.036 13.306 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -12.551 -16.626 10.976 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -8.404 -15.569 11.356 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -12.460 -16.113 8.551 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -8.315 -15.053 8.933 1.00 0.00 H new ATOM 0 HH TYR A 57 -9.427 -14.966 7.000 1.00 0.00 H new ATOM 918 N ILE A 58 -8.264 -18.552 13.268 1.00 0.00 N ATOM 919 CA ILE A 58 -6.987 -19.127 12.861 1.00 0.00 C ATOM 920 C ILE A 58 -7.123 -20.634 12.653 1.00 0.00 C ATOM 921 O ILE A 58 -6.619 -21.182 11.675 1.00 0.00 O ATOM 922 CB ILE A 58 -5.929 -18.852 13.933 1.00 0.00 C ATOM 923 CG1 ILE A 58 -5.634 -17.349 13.982 1.00 0.00 C ATOM 924 CG2 ILE A 58 -4.642 -19.609 13.594 1.00 0.00 C ATOM 925 CD1 ILE A 58 -4.806 -17.031 15.228 1.00 0.00 C ATOM 0 H ILE A 58 -8.265 -18.128 14.196 1.00 0.00 H new ATOM 0 HA ILE A 58 -6.682 -18.667 11.921 1.00 0.00 H new ATOM 0 HB ILE A 58 -6.301 -19.186 14.901 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -5.093 -17.045 13.086 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -6.567 -16.785 13.999 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -3.891 -19.411 14.359 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -4.848 -20.679 13.556 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -4.269 -19.277 12.625 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -4.596 -15.962 15.262 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -5.363 -17.320 16.119 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -3.867 -17.584 15.192 1.00 0.00 H new ATOM 937 N ALA A 59 -7.804 -21.295 13.583 1.00 0.00 N ATOM 938 CA ALA A 59 -8.000 -22.737 13.490 1.00 0.00 C ATOM 939 C ALA A 59 -8.836 -23.087 12.265 1.00 0.00 C ATOM 940 O ALA A 59 -8.612 -24.110 11.618 1.00 0.00 O ATOM 941 CB ALA A 59 -8.692 -23.253 14.752 1.00 0.00 C ATOM 0 H ALA A 59 -8.226 -20.860 14.403 1.00 0.00 H new ATOM 0 HA ALA A 59 -7.024 -23.212 13.394 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -8.834 -24.331 14.674 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -8.075 -23.031 15.622 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -9.661 -22.766 14.861 1.00 0.00 H new ATOM 947 N GLU A 60 -9.809 -22.234 11.960 1.00 0.00 N ATOM 948 CA GLU A 60 -10.680 -22.465 10.815 1.00 0.00 C ATOM 949 C GLU A 60 -9.940 -22.208 9.509 1.00 0.00 C ATOM 950 O GLU A 60 -10.085 -22.960 8.548 1.00 0.00 O ATOM 951 CB GLU A 60 -11.904 -21.546 10.897 1.00 0.00 C ATOM 952 CG GLU A 60 -12.768 -21.951 12.094 1.00 0.00 C ATOM 953 CD GLU A 60 -13.379 -23.327 11.855 1.00 0.00 C ATOM 954 OE1 GLU A 60 -13.469 -23.722 10.705 1.00 0.00 O ATOM 955 OE2 GLU A 60 -13.747 -23.968 12.827 1.00 0.00 O ATOM 0 H GLU A 60 -10.012 -21.384 12.485 1.00 0.00 H new ATOM 0 HA GLU A 60 -11.000 -23.507 10.835 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -11.587 -20.508 10.999 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -12.484 -21.613 9.977 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -12.164 -21.965 13.001 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -13.557 -21.215 12.248 1.00 0.00 H new ATOM 962 N HIS A 61 -9.149 -21.139 9.481 1.00 0.00 N ATOM 963 CA HIS A 61 -8.387 -20.783 8.283 1.00 0.00 C ATOM 964 C HIS A 61 -6.953 -20.415 8.651 1.00 0.00 C ATOM 965 O HIS A 61 -6.541 -19.265 8.506 1.00 0.00 O ATOM 966 CB HIS A 61 -9.056 -19.608 7.574 1.00 0.00 C ATOM 967 CG HIS A 61 -10.545 -19.821 7.549 1.00 0.00 C ATOM 968 ND1 HIS A 61 -11.408 -19.090 8.349 1.00 0.00 N ATOM 969 CD2 HIS A 61 -11.338 -20.679 6.826 1.00 0.00 C ATOM 970 CE1 HIS A 61 -12.659 -19.515 8.090 1.00 0.00 C ATOM 971 NE2 HIS A 61 -12.673 -20.482 7.169 1.00 0.00 N ATOM 0 H HIS A 61 -9.018 -20.505 10.269 1.00 0.00 H new ATOM 0 HA HIS A 61 -8.366 -21.644 7.615 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -8.819 -18.676 8.088 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -8.674 -19.517 6.557 1.00 0.00 H new ATOM 0 HD1 HIS A 61 -11.144 -18.362 9.013 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -10.981 -21.397 6.102 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -13.544 -19.122 8.569 1.00 0.00 H new ATOM 979 N PRO A 62 -6.194 -21.368 9.131 1.00 0.00 N ATOM 980 CA PRO A 62 -4.774 -21.142 9.533 1.00 0.00 C ATOM 981 C PRO A 62 -3.865 -20.932 8.323 1.00 0.00 C ATOM 982 O PRO A 62 -2.810 -20.307 8.429 1.00 0.00 O ATOM 983 CB PRO A 62 -4.403 -22.422 10.298 1.00 0.00 C ATOM 984 CG PRO A 62 -5.323 -23.479 9.767 1.00 0.00 C ATOM 985 CD PRO A 62 -6.608 -22.767 9.337 1.00 0.00 C ATOM 0 HA PRO A 62 -4.652 -20.240 10.133 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -3.359 -22.690 10.134 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -4.533 -22.290 11.372 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -4.869 -24.000 8.924 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -5.533 -24.229 10.530 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -7.017 -23.200 8.424 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -7.381 -22.845 10.101 1.00 0.00 H new ATOM 993 N THR A 63 -4.280 -21.467 7.180 1.00 0.00 N ATOM 994 CA THR A 63 -3.492 -21.338 5.960 1.00 0.00 C ATOM 995 C THR A 63 -3.657 -19.945 5.365 1.00 0.00 C ATOM 996 O THR A 63 -2.795 -19.467 4.630 1.00 0.00 O ATOM 997 CB THR A 63 -3.931 -22.389 4.939 1.00 0.00 C ATOM 998 OG1 THR A 63 -5.303 -22.198 4.625 1.00 0.00 O ATOM 999 CG2 THR A 63 -3.732 -23.789 5.524 1.00 0.00 C ATOM 0 H THR A 63 -5.149 -21.990 7.073 1.00 0.00 H new ATOM 0 HA THR A 63 -2.442 -21.494 6.208 1.00 0.00 H new ATOM 0 HB THR A 63 -3.332 -22.287 4.034 1.00 0.00 H new ATOM 0 HG1 THR A 63 -5.585 -22.870 3.970 1.00 0.00 H new ATOM 0 HG21 THR A 63 -4.045 -24.536 4.795 1.00 0.00 H new ATOM 0 HG22 THR A 63 -2.679 -23.936 5.765 1.00 0.00 H new ATOM 0 HG23 THR A 63 -4.329 -23.893 6.430 1.00 0.00 H new ATOM 1007 N SER A 64 -4.775 -19.301 5.687 1.00 0.00 N ATOM 1008 CA SER A 64 -5.048 -17.963 5.176 1.00 0.00 C ATOM 1009 C SER A 64 -4.072 -16.954 5.770 1.00 0.00 C ATOM 1010 O SER A 64 -3.726 -17.031 6.948 1.00 0.00 O ATOM 1011 CB SER A 64 -6.480 -17.554 5.518 1.00 0.00 C ATOM 1012 OG SER A 64 -6.707 -16.223 5.074 1.00 0.00 O ATOM 0 H SER A 64 -5.501 -19.681 6.295 1.00 0.00 H new ATOM 0 HA SER A 64 -4.925 -17.976 4.093 1.00 0.00 H new ATOM 0 HB2 SER A 64 -7.188 -18.234 5.043 1.00 0.00 H new ATOM 0 HB3 SER A 64 -6.643 -17.624 6.593 1.00 0.00 H new ATOM 0 HG SER A 64 -7.625 -15.958 5.290 1.00 0.00 H new ATOM 1018 N GLY A 65 -3.634 -16.005 4.947 1.00 0.00 N ATOM 1019 CA GLY A 65 -2.698 -14.982 5.404 1.00 0.00 C ATOM 1020 C GLY A 65 -3.439 -13.813 6.044 1.00 0.00 C ATOM 1021 O GLY A 65 -2.850 -13.015 6.771 1.00 0.00 O ATOM 0 H GLY A 65 -3.909 -15.923 3.968 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -2.003 -15.415 6.123 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -2.104 -14.625 4.563 1.00 0.00 H new ATOM 1025 N ARG A 66 -4.734 -13.717 5.766 1.00 0.00 N ATOM 1026 CA ARG A 66 -5.548 -12.641 6.320 1.00 0.00 C ATOM 1027 C ARG A 66 -5.651 -12.770 7.831 1.00 0.00 C ATOM 1028 O ARG A 66 -5.898 -11.788 8.527 1.00 0.00 O ATOM 1029 CB ARG A 66 -6.947 -12.677 5.704 1.00 0.00 C ATOM 1030 CG ARG A 66 -6.841 -12.629 4.173 1.00 0.00 C ATOM 1031 CD ARG A 66 -6.332 -11.257 3.724 1.00 0.00 C ATOM 1032 NE ARG A 66 -7.049 -10.199 4.430 1.00 0.00 N ATOM 1033 CZ ARG A 66 -8.247 -9.793 4.027 1.00 0.00 C ATOM 1034 NH1 ARG A 66 -8.802 -10.341 2.982 1.00 0.00 N ATOM 1035 NH2 ARG A 66 -8.871 -8.852 4.682 1.00 0.00 N ATOM 0 H ARG A 66 -5.241 -14.366 5.164 1.00 0.00 H new ATOM 0 HA ARG A 66 -5.071 -11.690 6.082 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -7.468 -13.583 6.014 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -7.535 -11.833 6.064 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -6.165 -13.409 3.823 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -7.815 -12.828 3.727 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -5.263 -11.175 3.920 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -6.469 -11.144 2.648 1.00 0.00 H new ATOM 0 HE ARG A 66 -6.622 -9.764 5.248 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -8.316 -11.081 2.475 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -9.722 -10.030 2.671 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -8.438 -8.429 5.503 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -9.791 -8.540 4.373 1.00 0.00 H new ATOM 1049 N ASN A 67 -5.465 -13.985 8.328 1.00 0.00 N ATOM 1050 CA ASN A 67 -5.544 -14.233 9.763 1.00 0.00 C ATOM 1051 C ASN A 67 -4.444 -13.474 10.499 1.00 0.00 C ATOM 1052 O ASN A 67 -4.506 -13.298 11.716 1.00 0.00 O ATOM 1053 CB ASN A 67 -5.406 -15.730 10.042 1.00 0.00 C ATOM 1054 CG ASN A 67 -4.042 -16.225 9.577 1.00 0.00 C ATOM 1055 OD1 ASN A 67 -3.157 -15.423 9.279 1.00 0.00 O ATOM 1056 ND2 ASN A 67 -3.815 -17.509 9.497 1.00 0.00 N ATOM 0 H ASN A 67 -5.260 -14.810 7.764 1.00 0.00 H new ATOM 0 HA ASN A 67 -6.513 -13.884 10.120 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -5.527 -15.922 11.108 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -6.195 -16.278 9.528 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -2.904 -17.848 9.187 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -4.549 -18.173 9.744 1.00 0.00 H new ATOM 1063 N GLN A 68 -3.436 -13.032 9.755 1.00 0.00 N ATOM 1064 CA GLN A 68 -2.325 -12.298 10.349 1.00 0.00 C ATOM 1065 C GLN A 68 -2.808 -10.979 10.945 1.00 0.00 C ATOM 1066 O GLN A 68 -2.353 -10.567 12.013 1.00 0.00 O ATOM 1067 CB GLN A 68 -1.257 -12.017 9.289 1.00 0.00 C ATOM 1068 CG GLN A 68 -0.600 -13.332 8.865 1.00 0.00 C ATOM 1069 CD GLN A 68 0.442 -13.070 7.784 1.00 0.00 C ATOM 1070 OE1 GLN A 68 1.593 -12.760 8.092 1.00 0.00 O ATOM 1071 NE2 GLN A 68 0.106 -13.174 6.527 1.00 0.00 N ATOM 0 H GLN A 68 -3.365 -13.168 8.747 1.00 0.00 H new ATOM 0 HA GLN A 68 -1.898 -12.909 11.144 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -1.707 -11.528 8.425 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -0.506 -11.334 9.686 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -0.131 -13.808 9.726 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -1.357 -14.022 8.492 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -0.848 -13.431 6.274 1.00 0.00 H new ATOM 0 HE22 GLN A 68 0.798 -12.998 5.798 1.00 0.00 H new ATOM 1080 N ALA A 69 -3.726 -10.320 10.245 1.00 0.00 N ATOM 1081 CA ALA A 69 -4.258 -9.044 10.714 1.00 0.00 C ATOM 1082 C ALA A 69 -5.182 -9.255 11.907 1.00 0.00 C ATOM 1083 O ALA A 69 -5.179 -8.470 12.852 1.00 0.00 O ATOM 1084 CB ALA A 69 -5.021 -8.352 9.584 1.00 0.00 C ATOM 0 H ALA A 69 -4.114 -10.644 9.359 1.00 0.00 H new ATOM 0 HA ALA A 69 -3.425 -8.414 11.026 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -5.415 -7.400 9.941 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -4.347 -8.174 8.746 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -5.845 -8.987 9.259 1.00 0.00 H new ATOM 1090 N LEU A 70 -5.972 -10.316 11.857 1.00 0.00 N ATOM 1091 CA LEU A 70 -6.896 -10.620 12.945 1.00 0.00 C ATOM 1092 C LEU A 70 -6.140 -10.932 14.226 1.00 0.00 C ATOM 1093 O LEU A 70 -6.548 -10.516 15.311 1.00 0.00 O ATOM 1094 CB LEU A 70 -7.780 -11.814 12.553 1.00 0.00 C ATOM 1095 CG LEU A 70 -8.919 -11.337 11.639 1.00 0.00 C ATOM 1096 CD1 LEU A 70 -9.917 -10.470 12.436 1.00 0.00 C ATOM 1097 CD2 LEU A 70 -8.330 -10.516 10.480 1.00 0.00 C ATOM 0 H LEU A 70 -5.994 -10.979 11.082 1.00 0.00 H new ATOM 0 HA LEU A 70 -7.523 -9.746 13.123 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -7.183 -12.569 12.042 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -8.190 -12.284 13.447 1.00 0.00 H new ATOM 0 HG LEU A 70 -9.447 -12.205 11.244 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -10.719 -10.139 11.776 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -10.338 -11.057 13.252 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -9.400 -9.601 12.843 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -9.135 -10.176 9.829 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -7.797 -9.653 10.879 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -7.639 -11.136 9.909 1.00 0.00 H new ATOM 1109 N THR A 71 -5.051 -11.673 14.093 1.00 0.00 N ATOM 1110 CA THR A 71 -4.248 -12.042 15.250 1.00 0.00 C ATOM 1111 C THR A 71 -3.660 -10.803 15.912 1.00 0.00 C ATOM 1112 O THR A 71 -3.337 -10.816 17.100 1.00 0.00 O ATOM 1113 CB THR A 71 -3.119 -12.983 14.823 1.00 0.00 C ATOM 1114 OG1 THR A 71 -3.659 -14.054 14.062 1.00 0.00 O ATOM 1115 CG2 THR A 71 -2.418 -13.535 16.063 1.00 0.00 C ATOM 0 H THR A 71 -4.704 -12.029 13.202 1.00 0.00 H new ATOM 0 HA THR A 71 -4.891 -12.550 15.968 1.00 0.00 H new ATOM 0 HB THR A 71 -2.398 -12.435 14.216 1.00 0.00 H new ATOM 0 HG1 THR A 71 -3.637 -13.822 13.110 1.00 0.00 H new ATOM 0 HG21 THR A 71 -1.614 -14.205 15.758 1.00 0.00 H new ATOM 0 HG22 THR A 71 -2.003 -12.711 16.644 1.00 0.00 H new ATOM 0 HG23 THR A 71 -3.136 -14.083 16.673 1.00 0.00 H new ATOM 1123 N GLN A 72 -3.520 -9.735 15.136 1.00 0.00 N ATOM 1124 CA GLN A 72 -2.965 -8.491 15.656 1.00 0.00 C ATOM 1125 C GLN A 72 -3.898 -7.880 16.697 1.00 0.00 C ATOM 1126 O GLN A 72 -3.447 -7.287 17.676 1.00 0.00 O ATOM 1127 CB GLN A 72 -2.744 -7.497 14.516 1.00 0.00 C ATOM 1128 CG GLN A 72 -1.998 -6.271 15.042 1.00 0.00 C ATOM 1129 CD GLN A 72 -1.808 -5.256 13.920 1.00 0.00 C ATOM 1130 OE1 GLN A 72 -2.733 -5.000 13.149 1.00 0.00 O ATOM 1131 NE2 GLN A 72 -0.654 -4.660 13.780 1.00 0.00 N ATOM 0 H GLN A 72 -3.781 -9.705 14.150 1.00 0.00 H new ATOM 0 HA GLN A 72 -2.009 -8.714 16.130 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -2.173 -7.967 13.716 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -3.702 -7.198 14.090 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -2.556 -5.819 15.862 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -1.029 -6.569 15.442 1.00 0.00 H new ATOM 0 HE21 GLN A 72 0.111 -4.873 14.420 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -0.518 -3.981 13.031 1.00 0.00 H new ATOM 1140 N LEU A 73 -5.198 -8.014 16.472 1.00 0.00 N ATOM 1141 CA LEU A 73 -6.184 -7.455 17.391 1.00 0.00 C ATOM 1142 C LEU A 73 -6.058 -8.099 18.766 1.00 0.00 C ATOM 1143 O LEU A 73 -6.166 -7.423 19.789 1.00 0.00 O ATOM 1144 CB LEU A 73 -7.600 -7.684 16.839 1.00 0.00 C ATOM 1145 CG LEU A 73 -7.926 -6.615 15.792 1.00 0.00 C ATOM 1146 CD1 LEU A 73 -6.952 -6.734 14.620 1.00 0.00 C ATOM 1147 CD2 LEU A 73 -9.356 -6.817 15.290 1.00 0.00 C ATOM 0 H LEU A 73 -5.594 -8.501 15.668 1.00 0.00 H new ATOM 0 HA LEU A 73 -6.001 -6.385 17.488 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -7.671 -8.676 16.394 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -8.327 -7.646 17.650 1.00 0.00 H new ATOM 0 HG LEU A 73 -7.833 -5.626 16.240 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -7.184 -5.973 13.875 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -5.932 -6.592 14.978 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -7.044 -7.722 14.170 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -9.591 -6.057 14.545 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -9.448 -7.806 14.841 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -10.050 -6.732 16.126 1.00 0.00 H new ATOM 1159 N LYS A 74 -5.828 -9.405 18.784 1.00 0.00 N ATOM 1160 CA LYS A 74 -5.690 -10.125 20.042 1.00 0.00 C ATOM 1161 C LYS A 74 -4.550 -9.542 20.870 1.00 0.00 C ATOM 1162 O LYS A 74 -4.686 -9.345 22.077 1.00 0.00 O ATOM 1163 CB LYS A 74 -5.417 -11.603 19.766 1.00 0.00 C ATOM 1164 CG LYS A 74 -5.394 -12.374 21.088 1.00 0.00 C ATOM 1165 CD LYS A 74 -5.344 -13.879 20.804 1.00 0.00 C ATOM 1166 CE LYS A 74 -3.976 -14.255 20.225 1.00 0.00 C ATOM 1167 NZ LYS A 74 -3.782 -15.726 20.326 1.00 0.00 N ATOM 0 H LYS A 74 -5.734 -9.983 17.949 1.00 0.00 H new ATOM 0 HA LYS A 74 -6.619 -10.024 20.603 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -6.186 -12.009 19.109 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -4.464 -11.717 19.250 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -4.528 -12.076 21.679 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -6.280 -12.134 21.676 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -5.526 -14.437 21.722 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -6.133 -14.152 20.103 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -3.911 -13.940 19.184 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -3.185 -13.735 20.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -2.854 -15.982 19.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -3.827 -16.014 21.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -4.530 -16.212 19.791 1.00 0.00 H new ATOM 1181 N GLU A 75 -3.428 -9.265 20.214 1.00 0.00 N ATOM 1182 CA GLU A 75 -2.272 -8.703 20.901 1.00 0.00 C ATOM 1183 C GLU A 75 -2.569 -7.283 21.377 1.00 0.00 C ATOM 1184 O GLU A 75 -2.177 -6.892 22.477 1.00 0.00 O ATOM 1185 CB GLU A 75 -1.064 -8.687 19.963 1.00 0.00 C ATOM 1186 CG GLU A 75 -0.643 -10.125 19.653 1.00 0.00 C ATOM 1187 CD GLU A 75 0.518 -10.126 18.665 1.00 0.00 C ATOM 1188 OE1 GLU A 75 0.934 -9.050 18.269 1.00 0.00 O ATOM 1189 OE2 GLU A 75 0.976 -11.203 18.320 1.00 0.00 O ATOM 0 H GLU A 75 -3.295 -9.419 19.215 1.00 0.00 H new ATOM 0 HA GLU A 75 -2.050 -9.325 21.768 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -1.313 -8.162 19.041 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -0.238 -8.146 20.425 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -0.350 -10.633 20.572 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -1.485 -10.678 19.238 1.00 0.00 H new ATOM 1196 N GLN A 76 -3.255 -6.513 20.538 1.00 0.00 N ATOM 1197 CA GLN A 76 -3.590 -5.136 20.886 1.00 0.00 C ATOM 1198 C GLN A 76 -4.522 -5.095 22.090 1.00 0.00 C ATOM 1199 O GLN A 76 -4.226 -4.438 23.089 1.00 0.00 O ATOM 1200 CB GLN A 76 -4.264 -4.449 19.693 1.00 0.00 C ATOM 1201 CG GLN A 76 -3.239 -4.219 18.579 1.00 0.00 C ATOM 1202 CD GLN A 76 -2.189 -3.211 19.033 1.00 0.00 C ATOM 1203 OE1 GLN A 76 -2.531 -2.107 19.454 1.00 0.00 O ATOM 1204 NE2 GLN A 76 -0.926 -3.531 18.984 1.00 0.00 N ATOM 0 H GLN A 76 -3.587 -6.815 19.622 1.00 0.00 H new ATOM 0 HA GLN A 76 -2.669 -4.611 21.140 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -5.084 -5.064 19.323 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -4.695 -3.498 20.005 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -2.759 -5.162 18.315 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -3.740 -3.855 17.682 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -0.645 -4.447 18.634 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -0.219 -2.865 19.295 1.00 0.00 H new ATOM 1213 N VAL A 77 -5.642 -5.802 21.994 1.00 0.00 N ATOM 1214 CA VAL A 77 -6.603 -5.840 23.086 1.00 0.00 C ATOM 1215 C VAL A 77 -5.959 -6.415 24.343 1.00 0.00 C ATOM 1216 O VAL A 77 -6.109 -5.869 25.434 1.00 0.00 O ATOM 1217 CB VAL A 77 -7.809 -6.693 22.689 1.00 0.00 C ATOM 1218 CG1 VAL A 77 -8.765 -6.809 23.877 1.00 0.00 C ATOM 1219 CG2 VAL A 77 -8.532 -6.037 21.513 1.00 0.00 C ATOM 0 H VAL A 77 -5.905 -6.353 21.177 1.00 0.00 H new ATOM 0 HA VAL A 77 -6.933 -4.822 23.294 1.00 0.00 H new ATOM 0 HB VAL A 77 -7.471 -7.687 22.398 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -9.625 -7.417 23.594 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -8.249 -7.278 24.715 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -9.104 -5.815 24.170 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -9.392 -6.645 21.230 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -8.870 -5.042 21.803 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -7.850 -5.956 20.666 1.00 0.00 H new ATOM 1229 N THR A 78 -5.236 -7.518 24.181 1.00 0.00 N ATOM 1230 CA THR A 78 -4.568 -8.156 25.311 1.00 0.00 C ATOM 1231 C THR A 78 -3.556 -7.206 25.941 1.00 0.00 C ATOM 1232 O THR A 78 -3.473 -7.091 27.164 1.00 0.00 O ATOM 1233 CB THR A 78 -3.860 -9.431 24.848 1.00 0.00 C ATOM 1234 OG1 THR A 78 -4.824 -10.358 24.366 1.00 0.00 O ATOM 1235 CG2 THR A 78 -3.099 -10.049 26.020 1.00 0.00 C ATOM 0 H THR A 78 -5.098 -7.986 23.286 1.00 0.00 H new ATOM 0 HA THR A 78 -5.320 -8.411 26.057 1.00 0.00 H new ATOM 0 HB THR A 78 -3.158 -9.187 24.050 1.00 0.00 H new ATOM 0 HG1 THR A 78 -4.840 -10.334 23.386 1.00 0.00 H new ATOM 0 HG21 THR A 78 -2.595 -10.957 25.688 1.00 0.00 H new ATOM 0 HG22 THR A 78 -2.360 -9.338 26.389 1.00 0.00 H new ATOM 0 HG23 THR A 78 -3.798 -10.293 26.820 1.00 0.00 H new ATOM 1243 N SER A 79 -2.781 -6.533 25.097 1.00 0.00 N ATOM 1244 CA SER A 79 -1.771 -5.599 25.579 1.00 0.00 C ATOM 1245 C SER A 79 -2.425 -4.440 26.325 1.00 0.00 C ATOM 1246 O SER A 79 -1.927 -3.994 27.358 1.00 0.00 O ATOM 1247 CB SER A 79 -0.955 -5.056 24.405 1.00 0.00 C ATOM 1248 OG SER A 79 0.055 -4.185 24.897 1.00 0.00 O ATOM 0 H SER A 79 -2.832 -6.616 24.082 1.00 0.00 H new ATOM 0 HA SER A 79 -1.111 -6.131 26.263 1.00 0.00 H new ATOM 0 HB2 SER A 79 -0.503 -5.878 23.850 1.00 0.00 H new ATOM 0 HB3 SER A 79 -1.605 -4.523 23.711 1.00 0.00 H new ATOM 0 HG SER A 79 0.581 -3.837 24.147 1.00 0.00 H new ATOM 1254 N ALA A 80 -3.541 -3.952 25.789 1.00 0.00 N ATOM 1255 CA ALA A 80 -4.250 -2.839 26.411 1.00 0.00 C ATOM 1256 C ALA A 80 -4.583 -3.160 27.863 1.00 0.00 C ATOM 1257 O ALA A 80 -4.294 -2.372 28.763 1.00 0.00 O ATOM 1258 CB ALA A 80 -5.538 -2.548 25.640 1.00 0.00 C ATOM 0 H ALA A 80 -3.970 -4.306 24.934 1.00 0.00 H new ATOM 0 HA ALA A 80 -3.605 -1.961 26.386 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -6.063 -1.716 26.109 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -5.295 -2.289 24.610 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -6.176 -3.432 25.651 1.00 0.00 H new ATOM 1264 N LEU A 81 -5.181 -4.324 28.084 1.00 0.00 N ATOM 1265 CA LEU A 81 -5.537 -4.743 29.437 1.00 0.00 C ATOM 1266 C LEU A 81 -4.284 -4.997 30.265 1.00 0.00 C ATOM 1267 O LEU A 81 -4.285 -4.808 31.482 1.00 0.00 O ATOM 1268 CB LEU A 81 -6.381 -6.017 29.380 1.00 0.00 C ATOM 1269 CG LEU A 81 -7.570 -5.797 28.439 1.00 0.00 C ATOM 1270 CD1 LEU A 81 -8.353 -7.106 28.297 1.00 0.00 C ATOM 1271 CD2 LEU A 81 -8.490 -4.707 29.008 1.00 0.00 C ATOM 0 H LEU A 81 -5.429 -4.990 27.353 1.00 0.00 H new ATOM 0 HA LEU A 81 -6.113 -3.945 29.907 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -5.775 -6.853 29.029 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -6.735 -6.277 30.377 1.00 0.00 H new ATOM 0 HG LEU A 81 -7.204 -5.481 27.462 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -9.200 -6.953 27.628 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -7.701 -7.877 27.887 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -8.716 -7.421 29.275 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -9.334 -4.555 28.335 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -8.858 -5.016 29.987 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -7.932 -3.776 29.107 1.00 0.00 H new ATOM 1283 N GLY A 82 -3.216 -5.424 29.600 1.00 0.00 N ATOM 1284 CA GLY A 82 -1.959 -5.701 30.287 1.00 0.00 C ATOM 1285 C GLY A 82 -1.962 -7.101 30.890 1.00 0.00 C ATOM 1286 O GLY A 82 -1.117 -7.430 31.722 1.00 0.00 O ATOM 0 H GLY A 82 -3.194 -5.585 28.593 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -1.129 -5.605 29.587 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -1.800 -4.963 31.073 1.00 0.00 H new ATOM 1290 N LEU A 83 -2.918 -7.921 30.470 1.00 0.00 N ATOM 1291 CA LEU A 83 -3.021 -9.282 30.980 1.00 0.00 C ATOM 1292 C LEU A 83 -1.811 -10.103 30.562 1.00 0.00 C ATOM 1293 O LEU A 83 -1.280 -10.883 31.354 1.00 0.00 O ATOM 1294 CB LEU A 83 -4.297 -9.942 30.447 1.00 0.00 C ATOM 1295 CG LEU A 83 -5.525 -9.258 31.066 1.00 0.00 C ATOM 1296 CD1 LEU A 83 -6.788 -9.727 30.338 1.00 0.00 C ATOM 1297 CD2 LEU A 83 -5.631 -9.610 32.563 1.00 0.00 C ATOM 0 H LEU A 83 -3.628 -7.669 29.782 1.00 0.00 H new ATOM 0 HA LEU A 83 -3.059 -9.241 32.069 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -4.333 -9.864 29.360 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -4.298 -11.005 30.690 1.00 0.00 H new ATOM 0 HG LEU A 83 -5.421 -8.178 30.964 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -7.661 -9.243 30.776 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -6.718 -9.464 29.282 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -6.885 -10.808 30.437 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -6.505 -9.119 32.991 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -5.729 -10.690 32.677 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -4.734 -9.270 33.081 1.00 0.00 H new ATOM 1309 N GLU A 84 -1.381 -9.923 29.321 1.00 0.00 N ATOM 1310 CA GLU A 84 -0.226 -10.653 28.812 1.00 0.00 C ATOM 1311 C GLU A 84 -0.430 -12.156 28.974 1.00 0.00 C ATOM 1312 O GLU A 84 -0.861 -12.837 28.043 1.00 0.00 O ATOM 1313 CB GLU A 84 1.036 -10.221 29.560 1.00 0.00 C ATOM 1314 CG GLU A 84 1.338 -8.752 29.255 1.00 0.00 C ATOM 1315 CD GLU A 84 1.740 -8.593 27.793 1.00 0.00 C ATOM 1316 OE1 GLU A 84 2.133 -9.582 27.197 1.00 0.00 O ATOM 1317 OE2 GLU A 84 1.650 -7.485 27.290 1.00 0.00 O ATOM 0 H GLU A 84 -1.810 -9.283 28.652 1.00 0.00 H new ATOM 0 HA GLU A 84 -0.113 -10.426 27.752 1.00 0.00 H new ATOM 0 HB2 GLU A 84 0.900 -10.359 30.633 1.00 0.00 H new ATOM 0 HB3 GLU A 84 1.879 -10.845 29.262 1.00 0.00 H new ATOM 0 HG2 GLU A 84 0.461 -8.141 29.468 1.00 0.00 H new ATOM 0 HG3 GLU A 84 2.140 -8.396 29.902 1.00 0.00 H new ATOM 1324 N HIS A 85 -0.118 -12.664 30.161 1.00 0.00 N ATOM 1325 CA HIS A 85 -0.273 -14.087 30.436 1.00 0.00 C ATOM 1326 C HIS A 85 -1.735 -14.419 30.714 1.00 0.00 C ATOM 1327 O HIS A 85 -2.480 -13.592 31.237 1.00 0.00 O ATOM 1328 CB HIS A 85 0.581 -14.485 31.641 1.00 0.00 C ATOM 1329 CG HIS A 85 0.313 -13.539 32.780 1.00 0.00 C ATOM 1330 ND1 HIS A 85 -0.684 -13.771 33.714 1.00 0.00 N ATOM 1331 CD2 HIS A 85 0.904 -12.356 33.148 1.00 0.00 C ATOM 1332 CE1 HIS A 85 -0.665 -12.750 34.591 1.00 0.00 C ATOM 1333 NE2 HIS A 85 0.285 -11.860 34.292 1.00 0.00 N ATOM 0 H HIS A 85 0.241 -12.116 30.943 1.00 0.00 H new ATOM 0 HA HIS A 85 0.057 -14.646 29.560 1.00 0.00 H new ATOM 0 HB2 HIS A 85 0.351 -15.507 31.941 1.00 0.00 H new ATOM 0 HB3 HIS A 85 1.638 -14.461 31.375 1.00 0.00 H new ATOM 0 HD2 HIS A 85 1.724 -11.882 32.629 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -1.336 -12.661 35.433 1.00 0.00 H new ATOM 0 HE2 HIS A 85 0.509 -11.001 34.794 1.00 0.00 H new ATOM 1341 N HIS A 86 -2.140 -15.635 30.356 1.00 0.00 N ATOM 1342 CA HIS A 86 -3.519 -16.066 30.568 1.00 0.00 C ATOM 1343 C HIS A 86 -3.588 -17.582 30.717 1.00 0.00 C ATOM 1344 O HIS A 86 -2.638 -18.292 30.388 1.00 0.00 O ATOM 1345 CB HIS A 86 -4.387 -15.625 29.390 1.00 0.00 C ATOM 1346 CG HIS A 86 -5.821 -15.989 29.662 1.00 0.00 C ATOM 1347 ND1 HIS A 86 -6.521 -15.475 30.741 1.00 0.00 N ATOM 1348 CD2 HIS A 86 -6.699 -16.814 29.003 1.00 0.00 C ATOM 1349 CE1 HIS A 86 -7.764 -15.989 30.701 1.00 0.00 C ATOM 1350 NE2 HIS A 86 -7.926 -16.811 29.662 1.00 0.00 N ATOM 0 H HIS A 86 -1.538 -16.334 29.921 1.00 0.00 H new ATOM 0 HA HIS A 86 -3.890 -15.606 31.484 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -4.296 -14.549 29.239 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -4.046 -16.105 28.473 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -6.473 -17.379 28.111 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -8.536 -15.764 31.422 1.00 0.00 H new ATOM 0 HE2 HIS A 86 -8.768 -17.327 29.406 1.00 0.00 H new ATOM 1358 N HIS A 87 -4.717 -18.071 31.217 1.00 0.00 N ATOM 1359 CA HIS A 87 -4.900 -19.505 31.410 1.00 0.00 C ATOM 1360 C HIS A 87 -5.253 -20.182 30.089 1.00 0.00 C ATOM 1361 O HIS A 87 -5.738 -19.537 29.159 1.00 0.00 O ATOM 1362 CB HIS A 87 -6.014 -19.757 32.428 1.00 0.00 C ATOM 1363 CG HIS A 87 -5.589 -19.238 33.774 1.00 0.00 C ATOM 1364 ND1 HIS A 87 -5.589 -17.885 34.077 1.00 0.00 N ATOM 1365 CD2 HIS A 87 -5.150 -19.876 34.908 1.00 0.00 C ATOM 1366 CE1 HIS A 87 -5.163 -17.754 35.347 1.00 0.00 C ATOM 1367 NE2 HIS A 87 -4.882 -18.938 35.900 1.00 0.00 N ATOM 0 H HIS A 87 -5.515 -17.500 31.495 1.00 0.00 H new ATOM 0 HA HIS A 87 -3.966 -19.925 31.783 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -6.932 -19.263 32.109 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -6.231 -20.823 32.489 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -5.031 -20.944 35.014 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -5.061 -16.808 35.857 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -4.544 -19.116 36.846 1.00 0.00 H new ATOM 1375 N HIS A 88 -5.006 -21.486 30.014 1.00 0.00 N ATOM 1376 CA HIS A 88 -5.303 -22.242 28.803 1.00 0.00 C ATOM 1377 C HIS A 88 -6.810 -22.404 28.630 1.00 0.00 C ATOM 1378 O HIS A 88 -7.508 -22.827 29.550 1.00 0.00 O ATOM 1379 CB HIS A 88 -4.645 -23.621 28.874 1.00 0.00 C ATOM 1380 CG HIS A 88 -4.890 -24.360 27.588 1.00 0.00 C ATOM 1381 ND1 HIS A 88 -6.071 -25.042 27.342 1.00 0.00 N ATOM 1382 CD2 HIS A 88 -4.117 -24.535 26.467 1.00 0.00 C ATOM 1383 CE1 HIS A 88 -5.977 -25.589 26.116 1.00 0.00 C ATOM 1384 NE2 HIS A 88 -4.804 -25.310 25.539 1.00 0.00 N ATOM 0 H HIS A 88 -4.604 -22.038 30.772 1.00 0.00 H new ATOM 0 HA HIS A 88 -4.907 -21.694 27.948 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -3.574 -23.516 29.047 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -5.050 -24.186 29.713 1.00 0.00 H new ATOM 0 HD1 HIS A 88 -6.867 -25.116 27.975 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -3.125 -24.132 26.327 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -6.754 -26.181 25.655 1.00 0.00 H new ATOM 1392 N HIS A 89 -7.303 -22.065 27.443 1.00 0.00 N ATOM 1393 CA HIS A 89 -8.729 -22.177 27.161 1.00 0.00 C ATOM 1394 C HIS A 89 -9.132 -23.639 27.003 1.00 0.00 C ATOM 1395 O HIS A 89 -8.422 -24.425 26.376 1.00 0.00 O ATOM 1396 CB HIS A 89 -9.069 -21.410 25.881 1.00 0.00 C ATOM 1397 CG HIS A 89 -8.219 -21.919 24.751 1.00 0.00 C ATOM 1398 ND1 HIS A 89 -6.964 -21.397 24.477 1.00 0.00 N ATOM 1399 CD2 HIS A 89 -8.426 -22.904 23.815 1.00 0.00 C ATOM 1400 CE1 HIS A 89 -6.470 -22.061 23.416 1.00 0.00 C ATOM 1401 NE2 HIS A 89 -7.321 -22.991 22.973 1.00 0.00 N ATOM 0 H HIS A 89 -6.742 -21.713 26.667 1.00 0.00 H new ATOM 0 HA HIS A 89 -9.281 -21.750 27.998 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -10.125 -21.533 25.640 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -8.898 -20.343 26.027 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -9.312 -23.518 23.744 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -5.503 -21.866 22.976 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -7.189 -23.628 22.187 1.00 0.00 H new ATOM 1409 N HIS A 90 -10.277 -23.998 27.576 1.00 0.00 N ATOM 1410 CA HIS A 90 -10.765 -25.370 27.490 1.00 0.00 C ATOM 1411 C HIS A 90 -10.656 -25.889 26.060 1.00 0.00 C ATOM 1412 O HIS A 90 -10.290 -27.042 25.896 1.00 0.00 O ATOM 1413 CB HIS A 90 -12.223 -25.435 27.950 1.00 0.00 C ATOM 1414 CG HIS A 90 -12.293 -25.193 29.433 1.00 0.00 C ATOM 1415 ND1 HIS A 90 -12.244 -23.919 29.977 1.00 0.00 N ATOM 1416 CD2 HIS A 90 -12.408 -26.052 30.498 1.00 0.00 C ATOM 1417 CE1 HIS A 90 -12.328 -24.046 31.314 1.00 0.00 C ATOM 1418 NE2 HIS A 90 -12.431 -25.324 31.685 1.00 0.00 N ATOM 1419 OXT HIS A 90 -10.941 -25.127 25.151 1.00 0.00 O ATOM 0 H HIS A 90 -10.880 -23.364 28.101 1.00 0.00 H new ATOM 0 HA HIS A 90 -10.152 -25.996 28.138 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -12.816 -24.689 27.421 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -12.648 -26.409 27.709 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -12.471 -27.128 30.426 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -12.314 -23.215 32.003 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -12.510 -25.689 32.634 1.00 0.00 H new TER 1427 HIS A 90