USER MOD reduce.3.24.130724 H: found=0, std=0, add=718, rem=0, adj=18 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 64 SER OG : rot -7:sc= 0.17 USER MOD Set 1.2: A 67 ASN : amide:sc= -6.69! C(o=-6.5!,f=-8.2!) USER MOD Set 2.1: A 11 LYS NZ :NH3+ -142:sc= -1.66 (180deg=-0.547) USER MOD Set 2.2: A 15 LYS NZ :NH3+ -170:sc= -0.62 (180deg=-0.0927) USER MOD Single : A 1 MET CE :methyl -124:sc= -0.0199 (180deg=-0.377) USER MOD Single : A 1 MET N :NH3+ -128:sc= -0.0187 (180deg=-0.347) USER MOD Single : A 3 GLN : amide:sc= -0.436 K(o=-0.44,f=-1.2) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -0.583 K(o=-0.58,f=-2.4) USER MOD Single : A 19 LYS NZ :NH3+ -153:sc= -0.0799 (180deg=-0.517) 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= -0.0442 K(o=-0.044,f=-1.7!) USER MOD Single : A 31 GLN : amide:sc= -4.94! C(o=-4.9!,f=-6.7!) USER MOD Single : A 36 HIS : no HD1:sc= -0.0234 X(o=-0.023,f=0.00039) USER MOD Single : A 37 GLN : amide:sc= 0.259 K(o=0.26,f=-0.24) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= -0.152 K(o=-0.15,f=-1.9!) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 51 ASN :FLIP amide:sc= -2.98! C(o=-6!,f=-3!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 174:sc= -0.257 (180deg=-0.266) USER MOD Single : A 55 ASN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 HIS : no HD1:sc= -1.96 K(o=-2,f=-3.3!) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc=-0.00259 K(o=-0.0026,f=-1.5!) USER MOD Single : A 71 THR OG1 : rot 180:sc= -1.04 USER MOD Single : A 72 GLN : amide:sc= -0.192 X(o=-0.19,f=-0.59) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= -0.155 K(o=-0.16,f=-0.81) USER MOD Single : A 78 THR OG1 : rot -17:sc= 0.025 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 85 HIS : no HD1:sc= -0.109 X(o=-0.11,f=-0.031) USER MOD Single : A 86 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 87 HIS : no HD1:sc= -0.405 X(o=-0.41,f=-0.029) USER MOD Single : A 88 HIS : no HD1:sc= 0 X(o=0,f=-0.0066) USER MOD Single : A 89 HIS : no HD1:sc= -0.236 K(o=-0.24,f=-1.8) USER MOD Single : A 90 HIS : no HE2:sc= -0.427 K(o=-0.43,f=-1.6) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.182 5.972 13.817 1.00 0.00 N ATOM 2 CA MET A 1 -5.481 4.707 14.175 1.00 0.00 C ATOM 3 C MET A 1 -4.692 4.914 15.463 1.00 0.00 C ATOM 4 O MET A 1 -3.564 5.406 15.437 1.00 0.00 O ATOM 5 CB MET A 1 -4.534 4.314 13.040 1.00 0.00 C ATOM 6 CG MET A 1 -5.350 3.953 11.797 1.00 0.00 C ATOM 7 SD MET A 1 -4.238 3.419 10.468 1.00 0.00 S ATOM 8 CE MET A 1 -3.589 5.047 10.007 1.00 0.00 C ATOM 0 H1 MET A 1 -7.191 5.776 13.656 1.00 0.00 H new ATOM 0 H2 MET A 1 -6.082 6.656 14.594 1.00 0.00 H new ATOM 0 H3 MET A 1 -5.764 6.368 12.951 1.00 0.00 H new ATOM 0 HA MET A 1 -6.210 3.911 14.325 1.00 0.00 H new ATOM 0 HB2 MET A 1 -3.856 5.137 12.816 1.00 0.00 H new ATOM 0 HB3 MET A 1 -3.918 3.467 13.343 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.058 3.158 12.033 1.00 0.00 H new ATOM 0 HG3 MET A 1 -5.934 4.814 11.471 1.00 0.00 H new ATOM 0 HE1 MET A 1 -3.763 5.221 8.945 1.00 0.00 H new ATOM 0 HE2 MET A 1 -4.094 5.818 10.589 1.00 0.00 H new ATOM 0 HE3 MET A 1 -2.519 5.083 10.210 1.00 0.00 H new ATOM 20 N GLY A 2 -5.292 4.535 16.585 1.00 0.00 N ATOM 21 CA GLY A 2 -4.635 4.684 17.878 1.00 0.00 C ATOM 22 C GLY A 2 -5.272 3.769 18.918 1.00 0.00 C ATOM 23 O GLY A 2 -6.383 3.276 18.727 1.00 0.00 O ATOM 0 H GLY A 2 -6.225 4.125 16.626 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -3.575 4.450 17.781 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -4.703 5.720 18.208 1.00 0.00 H new ATOM 27 N GLN A 3 -4.559 3.546 20.017 1.00 0.00 N ATOM 28 CA GLN A 3 -5.061 2.686 21.085 1.00 0.00 C ATOM 29 C GLN A 3 -5.665 1.409 20.507 1.00 0.00 C ATOM 30 O GLN A 3 -4.943 0.489 20.124 1.00 0.00 O ATOM 31 CB GLN A 3 -6.122 3.433 21.900 1.00 0.00 C ATOM 32 CG GLN A 3 -5.477 4.612 22.637 1.00 0.00 C ATOM 33 CD GLN A 3 -4.500 4.102 23.692 1.00 0.00 C ATOM 34 OE1 GLN A 3 -3.339 3.831 23.386 1.00 0.00 O ATOM 35 NE2 GLN A 3 -4.904 3.955 24.925 1.00 0.00 N ATOM 0 H GLN A 3 -3.637 3.946 20.192 1.00 0.00 H new ATOM 0 HA GLN A 3 -4.227 2.417 21.733 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -6.913 3.793 21.242 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -6.587 2.755 22.616 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -4.955 5.253 21.927 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -6.248 5.221 23.109 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -5.867 4.180 25.177 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -4.257 3.615 25.637 1.00 0.00 H new ATOM 44 N ILE A 4 -6.994 1.359 20.447 1.00 0.00 N ATOM 45 CA ILE A 4 -7.688 0.190 19.913 1.00 0.00 C ATOM 46 C ILE A 4 -7.866 0.317 18.405 1.00 0.00 C ATOM 47 O ILE A 4 -8.278 1.365 17.904 1.00 0.00 O ATOM 48 CB ILE A 4 -9.046 0.039 20.579 1.00 0.00 C ATOM 49 CG1 ILE A 4 -8.857 -0.222 22.076 1.00 0.00 C ATOM 50 CG2 ILE A 4 -9.804 -1.132 19.946 1.00 0.00 C ATOM 51 CD1 ILE A 4 -10.207 -0.119 22.788 1.00 0.00 C ATOM 0 H ILE A 4 -7.609 2.110 20.760 1.00 0.00 H new ATOM 0 HA ILE A 4 -7.085 -0.694 20.122 1.00 0.00 H new ATOM 0 HB ILE A 4 -9.619 0.956 20.440 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -8.427 -1.211 22.232 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -8.157 0.500 22.496 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -10.777 -1.237 20.426 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -9.943 -0.943 18.882 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -9.232 -2.050 20.080 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -10.072 -0.305 23.853 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -10.619 0.880 22.643 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -10.893 -0.858 22.375 1.00 0.00 H new ATOM 63 N PHE A 5 -7.546 -0.754 17.685 1.00 0.00 N ATOM 64 CA PHE A 5 -7.670 -0.749 16.232 1.00 0.00 C ATOM 65 C PHE A 5 -9.134 -0.600 15.827 1.00 0.00 C ATOM 66 O PHE A 5 -10.014 -1.250 16.392 1.00 0.00 O ATOM 67 CB PHE A 5 -7.099 -2.062 15.661 1.00 0.00 C ATOM 68 CG PHE A 5 -5.597 -1.939 15.495 1.00 0.00 C ATOM 69 CD1 PHE A 5 -4.781 -1.786 16.621 1.00 0.00 C ATOM 70 CD2 PHE A 5 -5.022 -1.971 14.215 1.00 0.00 C ATOM 71 CE1 PHE A 5 -3.394 -1.666 16.472 1.00 0.00 C ATOM 72 CE2 PHE A 5 -3.635 -1.850 14.067 1.00 0.00 C ATOM 73 CZ PHE A 5 -2.821 -1.699 15.196 1.00 0.00 C ATOM 0 H PHE A 5 -7.202 -1.629 18.080 1.00 0.00 H new ATOM 0 HA PHE A 5 -7.109 0.095 15.830 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -7.334 -2.892 16.328 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -7.563 -2.284 14.700 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -5.222 -1.760 17.607 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -5.650 -2.089 13.344 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -2.766 -1.548 17.343 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -3.193 -1.873 13.082 1.00 0.00 H new ATOM 0 HZ PHE A 5 -1.751 -1.608 15.082 1.00 0.00 H new ATOM 83 N THR A 6 -9.382 0.258 14.844 1.00 0.00 N ATOM 84 CA THR A 6 -10.739 0.481 14.372 1.00 0.00 C ATOM 85 C THR A 6 -11.179 -0.663 13.467 1.00 0.00 C ATOM 86 O THR A 6 -10.381 -1.201 12.700 1.00 0.00 O ATOM 87 CB THR A 6 -10.809 1.796 13.595 1.00 0.00 C ATOM 88 OG1 THR A 6 -10.118 2.806 14.317 1.00 0.00 O ATOM 89 CG2 THR A 6 -12.270 2.207 13.412 1.00 0.00 C ATOM 0 H THR A 6 -8.667 0.805 14.364 1.00 0.00 H new ATOM 0 HA THR A 6 -11.403 0.530 15.235 1.00 0.00 H new ATOM 0 HB THR A 6 -10.347 1.665 12.617 1.00 0.00 H new ATOM 0 HG1 THR A 6 -10.160 3.650 13.820 1.00 0.00 H new ATOM 0 HG21 THR A 6 -12.318 3.145 12.858 1.00 0.00 H new ATOM 0 HG22 THR A 6 -12.800 1.431 12.859 1.00 0.00 H new ATOM 0 HG23 THR A 6 -12.736 2.339 14.389 1.00 0.00 H new ATOM 97 N VAL A 7 -12.451 -1.026 13.558 1.00 0.00 N ATOM 98 CA VAL A 7 -12.982 -2.106 12.738 1.00 0.00 C ATOM 99 C VAL A 7 -12.930 -1.744 11.259 1.00 0.00 C ATOM 100 O VAL A 7 -12.486 -2.535 10.440 1.00 0.00 O ATOM 101 CB VAL A 7 -14.427 -2.406 13.142 1.00 0.00 C ATOM 102 CG1 VAL A 7 -15.286 -1.147 12.962 1.00 0.00 C ATOM 103 CG2 VAL A 7 -14.979 -3.535 12.262 1.00 0.00 C ATOM 0 H VAL A 7 -13.129 -0.593 14.185 1.00 0.00 H new ATOM 0 HA VAL A 7 -12.366 -2.990 12.900 1.00 0.00 H new ATOM 0 HB VAL A 7 -14.454 -2.713 14.187 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -16.314 -1.364 13.251 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -14.894 -0.346 13.590 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -15.260 -0.835 11.918 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -16.008 -3.750 12.549 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -14.950 -3.229 11.216 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -14.371 -4.430 12.395 1.00 0.00 H new ATOM 113 N GLN A 8 -13.384 -0.544 10.925 1.00 0.00 N ATOM 114 CA GLN A 8 -13.388 -0.094 9.537 1.00 0.00 C ATOM 115 C GLN A 8 -11.990 -0.174 8.940 1.00 0.00 C ATOM 116 O GLN A 8 -11.830 -0.410 7.744 1.00 0.00 O ATOM 117 CB GLN A 8 -13.914 1.346 9.469 1.00 0.00 C ATOM 118 CG GLN A 8 -15.451 1.336 9.510 1.00 0.00 C ATOM 119 CD GLN A 8 -16.016 1.050 8.122 1.00 0.00 C ATOM 120 OE1 GLN A 8 -15.499 1.552 7.123 1.00 0.00 O ATOM 121 NE2 GLN A 8 -17.053 0.270 8.002 1.00 0.00 N ATOM 0 H GLN A 8 -13.753 0.134 11.592 1.00 0.00 H new ATOM 0 HA GLN A 8 -14.041 -0.746 8.956 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -13.522 1.927 10.304 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -13.568 1.828 8.555 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -15.798 0.580 10.214 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -15.818 2.298 9.869 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -17.478 -0.144 8.831 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -17.439 0.073 7.079 1.00 0.00 H new ATOM 130 N GLU A 9 -10.980 0.022 9.773 1.00 0.00 N ATOM 131 CA GLU A 9 -9.609 -0.038 9.299 1.00 0.00 C ATOM 132 C GLU A 9 -9.244 -1.465 8.905 1.00 0.00 C ATOM 133 O GLU A 9 -8.923 -1.737 7.747 1.00 0.00 O ATOM 134 CB GLU A 9 -8.663 0.456 10.398 1.00 0.00 C ATOM 135 CG GLU A 9 -7.233 0.554 9.859 1.00 0.00 C ATOM 136 CD GLU A 9 -6.596 -0.830 9.781 1.00 0.00 C ATOM 137 OE1 GLU A 9 -6.926 -1.662 10.611 1.00 0.00 O ATOM 138 OE2 GLU A 9 -5.787 -1.038 8.892 1.00 0.00 O ATOM 0 H GLU A 9 -11.082 0.221 10.768 1.00 0.00 H new ATOM 0 HA GLU A 9 -9.511 0.601 8.421 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -8.991 1.431 10.759 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -8.693 -0.226 11.248 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -7.241 1.013 8.871 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -6.638 1.199 10.505 1.00 0.00 H new ATOM 145 N LEU A 10 -9.299 -2.372 9.871 1.00 0.00 N ATOM 146 CA LEU A 10 -8.976 -3.770 9.612 1.00 0.00 C ATOM 147 C LEU A 10 -10.032 -4.417 8.724 1.00 0.00 C ATOM 148 O LEU A 10 -9.716 -5.247 7.879 1.00 0.00 O ATOM 149 CB LEU A 10 -8.854 -4.546 10.926 1.00 0.00 C ATOM 150 CG LEU A 10 -8.514 -6.021 10.646 1.00 0.00 C ATOM 151 CD1 LEU A 10 -7.194 -6.129 9.859 1.00 0.00 C ATOM 152 CD2 LEU A 10 -8.387 -6.763 11.980 1.00 0.00 C ATOM 0 H LEU A 10 -9.562 -2.168 10.835 1.00 0.00 H new ATOM 0 HA LEU A 10 -8.018 -3.801 9.092 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -8.080 -4.099 11.549 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -9.789 -4.481 11.483 1.00 0.00 H new ATOM 0 HG LEU A 10 -9.308 -6.467 10.047 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -6.968 -7.178 9.669 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -7.292 -5.602 8.910 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -6.387 -5.683 10.440 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -8.146 -7.809 11.793 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -7.594 -6.309 12.575 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -9.330 -6.699 12.523 1.00 0.00 H new ATOM 164 N LYS A 11 -11.289 -4.053 8.942 1.00 0.00 N ATOM 165 CA LYS A 11 -12.386 -4.623 8.165 1.00 0.00 C ATOM 166 C LYS A 11 -12.187 -4.364 6.678 1.00 0.00 C ATOM 167 O LYS A 11 -12.287 -5.278 5.863 1.00 0.00 O ATOM 168 CB LYS A 11 -13.713 -4.013 8.627 1.00 0.00 C ATOM 169 CG LYS A 11 -14.870 -4.597 7.821 1.00 0.00 C ATOM 170 CD LYS A 11 -16.196 -4.078 8.372 1.00 0.00 C ATOM 171 CE LYS A 11 -17.346 -4.683 7.567 1.00 0.00 C ATOM 172 NZ LYS A 11 -17.369 -6.160 7.768 1.00 0.00 N ATOM 0 H LYS A 11 -11.575 -3.371 9.645 1.00 0.00 H new ATOM 0 HA LYS A 11 -12.404 -5.701 8.326 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -13.863 -4.211 9.688 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -13.686 -2.930 8.506 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -14.769 -4.322 6.771 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -14.846 -5.686 7.869 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -16.295 -4.343 9.425 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -16.227 -2.990 8.312 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -18.294 -4.247 7.883 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -17.225 -4.451 6.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -17.618 -6.628 6.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -16.430 -6.483 8.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -18.075 -6.401 8.493 1.00 0.00 H new ATOM 186 N GLU A 12 -11.894 -3.122 6.326 1.00 0.00 N ATOM 187 CA GLU A 12 -11.678 -2.776 4.927 1.00 0.00 C ATOM 188 C GLU A 12 -10.435 -3.468 4.380 1.00 0.00 C ATOM 189 O GLU A 12 -10.447 -3.995 3.267 1.00 0.00 O ATOM 190 CB GLU A 12 -11.532 -1.262 4.785 1.00 0.00 C ATOM 191 CG GLU A 12 -12.887 -0.594 5.020 1.00 0.00 C ATOM 192 CD GLU A 12 -12.727 0.921 5.014 1.00 0.00 C ATOM 193 OE1 GLU A 12 -11.624 1.379 4.765 1.00 0.00 O ATOM 194 OE2 GLU A 12 -13.708 1.602 5.262 1.00 0.00 O ATOM 0 H GLU A 12 -11.801 -2.344 6.979 1.00 0.00 H new ATOM 0 HA GLU A 12 -12.540 -3.115 4.353 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -10.801 -0.888 5.502 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -11.160 -1.014 3.791 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -13.591 -0.897 4.245 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -13.303 -0.921 5.973 1.00 0.00 H new ATOM 201 N ARG A 13 -9.365 -3.460 5.163 1.00 0.00 N ATOM 202 CA ARG A 13 -8.118 -4.086 4.742 1.00 0.00 C ATOM 203 C ARG A 13 -8.262 -5.606 4.717 1.00 0.00 C ATOM 204 O ARG A 13 -7.755 -6.273 3.815 1.00 0.00 O ATOM 205 CB ARG A 13 -6.985 -3.686 5.693 1.00 0.00 C ATOM 206 CG ARG A 13 -5.659 -4.264 5.191 1.00 0.00 C ATOM 207 CD ARG A 13 -4.530 -3.854 6.137 1.00 0.00 C ATOM 208 NE ARG A 13 -3.240 -4.248 5.579 1.00 0.00 N ATOM 209 CZ ARG A 13 -2.145 -4.270 6.329 1.00 0.00 C ATOM 210 NH1 ARG A 13 -2.211 -3.934 7.588 1.00 0.00 N ATOM 211 NH2 ARG A 13 -1.003 -4.627 5.807 1.00 0.00 N ATOM 0 H ARG A 13 -9.334 -3.030 6.087 1.00 0.00 H new ATOM 0 HA ARG A 13 -7.881 -3.742 3.735 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -6.918 -2.600 5.757 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -7.195 -4.052 6.698 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -5.723 -5.351 5.134 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -5.452 -3.904 4.183 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -4.552 -2.776 6.296 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -4.672 -4.323 7.111 1.00 0.00 H new ATOM 0 HE ARG A 13 -3.179 -4.511 4.595 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -3.104 -3.655 7.995 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -1.370 -3.951 8.165 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -0.952 -4.889 4.823 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -0.162 -4.644 6.384 1.00 0.00 H new ATOM 225 N ALA A 14 -8.942 -6.146 5.722 1.00 0.00 N ATOM 226 CA ALA A 14 -9.135 -7.590 5.820 1.00 0.00 C ATOM 227 C ALA A 14 -10.048 -8.099 4.717 1.00 0.00 C ATOM 228 O ALA A 14 -9.814 -9.164 4.145 1.00 0.00 O ATOM 229 CB ALA A 14 -9.728 -7.945 7.185 1.00 0.00 C ATOM 0 H ALA A 14 -9.368 -5.609 6.478 1.00 0.00 H new ATOM 0 HA ALA A 14 -8.163 -8.069 5.707 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -9.869 -9.024 7.251 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -9.049 -7.619 7.973 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -10.689 -7.445 7.305 1.00 0.00 H new ATOM 235 N LYS A 15 -11.079 -7.333 4.415 1.00 0.00 N ATOM 236 CA LYS A 15 -12.012 -7.712 3.370 1.00 0.00 C ATOM 237 C LYS A 15 -11.312 -7.770 2.017 1.00 0.00 C ATOM 238 O LYS A 15 -11.576 -8.664 1.215 1.00 0.00 O ATOM 239 CB LYS A 15 -13.158 -6.702 3.324 1.00 0.00 C ATOM 240 CG LYS A 15 -14.130 -6.943 4.486 1.00 0.00 C ATOM 241 CD LYS A 15 -15.061 -8.127 4.174 1.00 0.00 C ATOM 242 CE LYS A 15 -16.268 -8.078 5.108 1.00 0.00 C ATOM 243 NZ LYS A 15 -15.814 -8.274 6.514 1.00 0.00 N ATOM 0 H LYS A 15 -11.292 -6.448 4.876 1.00 0.00 H new ATOM 0 HA LYS A 15 -12.407 -8.703 3.592 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -12.760 -5.689 3.378 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -13.688 -6.786 2.375 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -13.571 -7.144 5.400 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -14.722 -6.045 4.665 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -15.388 -8.084 3.135 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -14.526 -9.068 4.301 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -16.779 -7.120 5.009 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -16.985 -8.852 4.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -16.641 -8.410 7.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -15.201 -9.112 6.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -15.283 -7.436 6.827 1.00 0.00 H new ATOM 257 N VAL A 16 -10.422 -6.812 1.773 1.00 0.00 N ATOM 258 CA VAL A 16 -9.692 -6.761 0.511 1.00 0.00 C ATOM 259 C VAL A 16 -10.665 -6.725 -0.668 1.00 0.00 C ATOM 260 O VAL A 16 -10.906 -5.668 -1.252 1.00 0.00 O ATOM 261 CB VAL A 16 -8.785 -7.989 0.388 1.00 0.00 C ATOM 262 CG1 VAL A 16 -7.987 -7.905 -0.914 1.00 0.00 C ATOM 263 CG2 VAL A 16 -7.822 -8.038 1.581 1.00 0.00 C ATOM 0 H VAL A 16 -10.190 -6.065 2.428 1.00 0.00 H new ATOM 0 HA VAL A 16 -9.086 -5.855 0.496 1.00 0.00 H new ATOM 0 HB VAL A 16 -9.395 -8.892 0.381 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -7.341 -8.779 -1.002 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -8.673 -7.874 -1.760 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -7.377 -7.002 -0.909 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -7.177 -8.912 1.492 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -7.211 -7.136 1.592 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -8.393 -8.101 2.507 1.00 0.00 H new ATOM 273 N PHE A 17 -11.225 -7.881 -1.007 1.00 0.00 N ATOM 274 CA PHE A 17 -12.174 -7.971 -2.112 1.00 0.00 C ATOM 275 C PHE A 17 -13.503 -7.321 -1.732 1.00 0.00 C ATOM 276 O PHE A 17 -13.720 -6.964 -0.573 1.00 0.00 O ATOM 277 CB PHE A 17 -12.406 -9.435 -2.487 1.00 0.00 C ATOM 278 CG PHE A 17 -13.305 -9.506 -3.698 1.00 0.00 C ATOM 279 CD1 PHE A 17 -12.787 -9.225 -4.968 1.00 0.00 C ATOM 280 CD2 PHE A 17 -14.655 -9.852 -3.554 1.00 0.00 C ATOM 281 CE1 PHE A 17 -13.619 -9.289 -6.093 1.00 0.00 C ATOM 282 CE2 PHE A 17 -15.486 -9.914 -4.679 1.00 0.00 C ATOM 283 CZ PHE A 17 -14.967 -9.634 -5.949 1.00 0.00 C ATOM 0 H PHE A 17 -11.040 -8.766 -0.535 1.00 0.00 H new ATOM 0 HA PHE A 17 -11.756 -7.442 -2.968 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -11.454 -9.923 -2.698 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -12.860 -9.968 -1.652 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -11.746 -8.959 -5.080 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -15.055 -10.071 -2.575 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -13.219 -9.072 -7.073 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -16.527 -10.178 -4.567 1.00 0.00 H new ATOM 0 HZ PHE A 17 -15.607 -9.684 -6.817 1.00 0.00 H new ATOM 293 N ALA A 18 -14.384 -7.164 -2.716 1.00 0.00 N ATOM 294 CA ALA A 18 -15.684 -6.546 -2.474 1.00 0.00 C ATOM 295 C ALA A 18 -16.356 -7.179 -1.262 1.00 0.00 C ATOM 296 O ALA A 18 -16.271 -8.389 -1.054 1.00 0.00 O ATOM 297 CB ALA A 18 -16.578 -6.715 -3.702 1.00 0.00 C ATOM 0 H ALA A 18 -14.224 -7.453 -3.681 1.00 0.00 H new ATOM 0 HA ALA A 18 -15.533 -5.484 -2.280 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -17.546 -6.251 -3.514 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -16.108 -6.238 -4.562 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -16.718 -7.776 -3.907 1.00 0.00 H new ATOM 303 N LYS A 19 -17.010 -6.353 -0.454 1.00 0.00 N ATOM 304 CA LYS A 19 -17.668 -6.855 0.745 1.00 0.00 C ATOM 305 C LYS A 19 -18.853 -7.764 0.382 1.00 0.00 C ATOM 306 O LYS A 19 -19.782 -7.324 -0.298 1.00 0.00 O ATOM 307 CB LYS A 19 -18.160 -5.689 1.608 1.00 0.00 C ATOM 308 CG LYS A 19 -16.972 -5.069 2.351 1.00 0.00 C ATOM 309 CD LYS A 19 -15.927 -4.589 1.336 1.00 0.00 C ATOM 310 CE LYS A 19 -15.010 -3.558 1.992 1.00 0.00 C ATOM 311 NZ LYS A 19 -15.768 -2.293 2.194 1.00 0.00 N ATOM 0 H LYS A 19 -17.098 -5.348 -0.604 1.00 0.00 H new ATOM 0 HA LYS A 19 -16.940 -7.439 1.308 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -18.644 -4.938 0.983 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -18.906 -6.039 2.321 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -17.309 -4.233 2.964 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -16.529 -5.802 3.026 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -15.341 -5.434 0.975 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -16.422 -4.151 0.469 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -14.644 -3.934 2.947 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -14.137 -3.378 1.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -15.108 -1.489 2.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -16.457 -2.174 1.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -16.269 -2.330 3.104 1.00 0.00 H new ATOM 325 N PRO A 20 -18.855 -9.015 0.812 1.00 0.00 N ATOM 326 CA PRO A 20 -19.974 -9.955 0.506 1.00 0.00 C ATOM 327 C PRO A 20 -21.215 -9.671 1.352 1.00 0.00 C ATOM 328 O PRO A 20 -21.114 -9.175 2.473 1.00 0.00 O ATOM 329 CB PRO A 20 -19.380 -11.335 0.813 1.00 0.00 C ATOM 330 CG PRO A 20 -18.361 -11.088 1.881 1.00 0.00 C ATOM 331 CD PRO A 20 -17.815 -9.674 1.634 1.00 0.00 C ATOM 0 HA PRO A 20 -20.323 -9.864 -0.523 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -20.149 -12.029 1.153 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -18.924 -11.775 -0.074 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -18.809 -11.165 2.872 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -17.562 -11.828 1.835 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -17.653 -9.142 2.571 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -16.857 -9.703 1.114 1.00 0.00 H new ATOM 339 N ILE A 21 -22.387 -9.994 0.803 1.00 0.00 N ATOM 340 CA ILE A 21 -23.647 -9.778 1.515 1.00 0.00 C ATOM 341 C ILE A 21 -24.027 -11.024 2.305 1.00 0.00 C ATOM 342 O ILE A 21 -24.072 -12.126 1.759 1.00 0.00 O ATOM 343 CB ILE A 21 -24.760 -9.440 0.519 1.00 0.00 C ATOM 344 CG1 ILE A 21 -26.042 -9.113 1.291 1.00 0.00 C ATOM 345 CG2 ILE A 21 -25.010 -10.632 -0.409 1.00 0.00 C ATOM 346 CD1 ILE A 21 -27.076 -8.522 0.333 1.00 0.00 C ATOM 0 H ILE A 21 -22.490 -10.403 -0.126 1.00 0.00 H new ATOM 0 HA ILE A 21 -23.518 -8.945 2.206 1.00 0.00 H new ATOM 0 HB ILE A 21 -24.461 -8.580 -0.081 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -26.437 -10.014 1.759 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -25.827 -8.406 2.092 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -25.803 -10.384 -1.114 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -24.097 -10.865 -0.957 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -25.309 -11.497 0.183 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -27.989 -8.289 0.881 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -26.679 -7.611 -0.114 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -27.299 -9.244 -0.452 1.00 0.00 H new ATOM 358 N GLY A 22 -24.298 -10.845 3.592 1.00 0.00 N ATOM 359 CA GLY A 22 -24.673 -11.966 4.445 1.00 0.00 C ATOM 360 C GLY A 22 -25.254 -11.474 5.766 1.00 0.00 C ATOM 361 O GLY A 22 -26.130 -12.115 6.346 1.00 0.00 O ATOM 0 H GLY A 22 -24.266 -9.942 4.065 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -25.404 -12.590 3.931 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -23.800 -12.590 4.637 1.00 0.00 H new ATOM 365 N ALA A 23 -24.755 -10.335 6.235 1.00 0.00 N ATOM 366 CA ALA A 23 -25.224 -9.758 7.491 1.00 0.00 C ATOM 367 C ALA A 23 -24.634 -10.514 8.679 1.00 0.00 C ATOM 368 O ALA A 23 -24.431 -9.946 9.751 1.00 0.00 O ATOM 369 CB ALA A 23 -26.760 -9.794 7.550 1.00 0.00 C ATOM 0 H ALA A 23 -24.028 -9.794 5.766 1.00 0.00 H new ATOM 0 HA ALA A 23 -24.893 -8.721 7.541 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -27.098 -9.361 8.491 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -27.170 -9.220 6.719 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -27.103 -10.826 7.482 1.00 0.00 H new ATOM 375 N SER A 24 -24.363 -11.800 8.477 1.00 0.00 N ATOM 376 CA SER A 24 -23.798 -12.629 9.536 1.00 0.00 C ATOM 377 C SER A 24 -22.330 -12.286 9.763 1.00 0.00 C ATOM 378 O SER A 24 -21.797 -12.487 10.853 1.00 0.00 O ATOM 379 CB SER A 24 -23.928 -14.105 9.161 1.00 0.00 C ATOM 380 OG SER A 24 -23.273 -14.335 7.920 1.00 0.00 O ATOM 0 H SER A 24 -24.524 -12.288 7.596 1.00 0.00 H new ATOM 0 HA SER A 24 -24.348 -12.436 10.457 1.00 0.00 H new ATOM 0 HB2 SER A 24 -23.488 -14.730 9.939 1.00 0.00 H new ATOM 0 HB3 SER A 24 -24.980 -14.382 9.087 1.00 0.00 H new ATOM 0 HG SER A 24 -23.353 -15.281 7.678 1.00 0.00 H new ATOM 386 N TYR A 25 -21.685 -11.761 8.728 1.00 0.00 N ATOM 387 CA TYR A 25 -20.279 -11.386 8.827 1.00 0.00 C ATOM 388 C TYR A 25 -20.123 -10.087 9.611 1.00 0.00 C ATOM 389 O TYR A 25 -19.056 -9.802 10.151 1.00 0.00 O ATOM 390 CB TYR A 25 -19.680 -11.221 7.430 1.00 0.00 C ATOM 391 CG TYR A 25 -19.685 -12.554 6.722 1.00 0.00 C ATOM 392 CD1 TYR A 25 -18.661 -13.478 6.962 1.00 0.00 C ATOM 393 CD2 TYR A 25 -20.713 -12.867 5.824 1.00 0.00 C ATOM 394 CE1 TYR A 25 -18.664 -14.714 6.306 1.00 0.00 C ATOM 395 CE2 TYR A 25 -20.716 -14.103 5.168 1.00 0.00 C ATOM 396 CZ TYR A 25 -19.693 -15.027 5.409 1.00 0.00 C ATOM 397 OH TYR A 25 -19.696 -16.246 4.762 1.00 0.00 O ATOM 0 H TYR A 25 -22.109 -11.586 7.817 1.00 0.00 H new ATOM 0 HA TYR A 25 -19.749 -12.179 9.355 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -20.255 -10.492 6.860 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -18.662 -10.839 7.502 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -17.868 -13.237 7.654 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -21.503 -12.155 5.638 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -17.873 -15.426 6.491 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -21.509 -14.344 4.475 1.00 0.00 H new ATOM 0 HH TYR A 25 -20.479 -16.303 4.176 1.00 0.00 H new ATOM 407 N GLN A 26 -21.195 -9.302 9.666 1.00 0.00 N ATOM 408 CA GLN A 26 -21.168 -8.031 10.382 1.00 0.00 C ATOM 409 C GLN A 26 -20.971 -8.259 11.879 1.00 0.00 C ATOM 410 O GLN A 26 -20.555 -7.354 12.604 1.00 0.00 O ATOM 411 CB GLN A 26 -22.474 -7.268 10.145 1.00 0.00 C ATOM 412 CG GLN A 26 -22.424 -5.929 10.883 1.00 0.00 C ATOM 413 CD GLN A 26 -23.623 -5.072 10.491 1.00 0.00 C ATOM 414 OE1 GLN A 26 -24.243 -5.308 9.454 1.00 0.00 O ATOM 415 NE2 GLN A 26 -23.989 -4.087 11.264 1.00 0.00 N ATOM 0 H GLN A 26 -22.088 -9.522 9.226 1.00 0.00 H new ATOM 0 HA GLN A 26 -20.331 -7.443 10.005 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -22.622 -7.102 9.078 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -23.321 -7.858 10.496 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -22.424 -6.098 11.960 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -21.498 -5.406 10.642 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -23.473 -3.894 12.123 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -24.791 -3.510 11.010 1.00 0.00 H new ATOM 424 N GLY A 27 -21.274 -9.470 12.335 1.00 0.00 N ATOM 425 CA GLY A 27 -21.128 -9.803 13.748 1.00 0.00 C ATOM 426 C GLY A 27 -19.726 -9.468 14.245 1.00 0.00 C ATOM 427 O GLY A 27 -19.508 -9.285 15.443 1.00 0.00 O ATOM 0 H GLY A 27 -21.620 -10.232 11.752 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -21.866 -9.254 14.333 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -21.327 -10.864 13.898 1.00 0.00 H new ATOM 431 N ILE A 28 -18.778 -9.388 13.317 1.00 0.00 N ATOM 432 CA ILE A 28 -17.396 -9.074 13.668 1.00 0.00 C ATOM 433 C ILE A 28 -17.282 -7.637 14.157 1.00 0.00 C ATOM 434 O ILE A 28 -16.358 -7.291 14.894 1.00 0.00 O ATOM 435 CB ILE A 28 -16.484 -9.272 12.457 1.00 0.00 C ATOM 436 CG1 ILE A 28 -15.024 -9.145 12.898 1.00 0.00 C ATOM 437 CG2 ILE A 28 -16.789 -8.210 11.397 1.00 0.00 C ATOM 438 CD1 ILE A 28 -14.107 -9.578 11.754 1.00 0.00 C ATOM 0 H ILE A 28 -18.939 -9.535 12.321 1.00 0.00 H new ATOM 0 HA ILE A 28 -17.087 -9.748 14.467 1.00 0.00 H new ATOM 0 HB ILE A 28 -16.657 -10.261 12.033 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -14.807 -8.115 13.182 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -14.843 -9.763 13.777 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -16.136 -8.356 10.537 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -17.829 -8.298 11.082 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -16.620 -7.218 11.816 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -13.067 -9.488 12.067 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -14.318 -10.614 11.491 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -14.281 -8.941 10.887 1.00 0.00 H new ATOM 450 N LEU A 29 -18.222 -6.798 13.732 1.00 0.00 N ATOM 451 CA LEU A 29 -18.216 -5.391 14.121 1.00 0.00 C ATOM 452 C LEU A 29 -19.022 -5.185 15.395 1.00 0.00 C ATOM 453 O LEU A 29 -18.749 -4.269 16.171 1.00 0.00 O ATOM 454 CB LEU A 29 -18.814 -4.539 12.989 1.00 0.00 C ATOM 455 CG LEU A 29 -18.875 -3.043 13.411 1.00 0.00 C ATOM 456 CD1 LEU A 29 -18.474 -2.143 12.234 1.00 0.00 C ATOM 457 CD2 LEU A 29 -20.302 -2.668 13.852 1.00 0.00 C ATOM 0 H LEU A 29 -18.994 -7.066 13.121 1.00 0.00 H new ATOM 0 HA LEU A 29 -17.186 -5.085 14.305 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -18.210 -4.645 12.088 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -19.815 -4.896 12.746 1.00 0.00 H new ATOM 0 HG LEU A 29 -18.184 -2.897 14.241 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -18.521 -1.099 12.542 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -17.458 -2.384 11.921 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -19.158 -2.307 11.401 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -20.328 -1.618 14.144 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -20.993 -2.832 13.025 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -20.596 -3.288 14.699 1.00 0.00 H new ATOM 469 N ASP A 30 -20.013 -6.041 15.609 1.00 0.00 N ATOM 470 CA ASP A 30 -20.843 -5.936 16.799 1.00 0.00 C ATOM 471 C ASP A 30 -19.989 -6.057 18.057 1.00 0.00 C ATOM 472 O ASP A 30 -20.112 -5.257 18.983 1.00 0.00 O ATOM 473 CB ASP A 30 -21.904 -7.035 16.793 1.00 0.00 C ATOM 474 CG ASP A 30 -22.806 -6.897 18.015 1.00 0.00 C ATOM 475 OD1 ASP A 30 -22.526 -6.044 18.840 1.00 0.00 O ATOM 476 OD2 ASP A 30 -23.766 -7.644 18.104 1.00 0.00 O ATOM 0 H ASP A 30 -20.259 -6.807 14.982 1.00 0.00 H new ATOM 0 HA ASP A 30 -21.331 -4.961 16.796 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -22.500 -6.972 15.882 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -21.425 -8.014 16.793 1.00 0.00 H new ATOM 481 N GLN A 31 -19.122 -7.067 18.085 1.00 0.00 N ATOM 482 CA GLN A 31 -18.255 -7.284 19.238 1.00 0.00 C ATOM 483 C GLN A 31 -17.249 -6.146 19.378 1.00 0.00 C ATOM 484 O GLN A 31 -17.044 -5.620 20.471 1.00 0.00 O ATOM 485 CB GLN A 31 -17.506 -8.615 19.090 1.00 0.00 C ATOM 486 CG GLN A 31 -16.735 -8.931 20.376 1.00 0.00 C ATOM 487 CD GLN A 31 -17.714 -9.198 21.513 1.00 0.00 C ATOM 488 OE1 GLN A 31 -17.925 -8.337 22.366 1.00 0.00 O ATOM 489 NE2 GLN A 31 -18.331 -10.346 21.571 1.00 0.00 N ATOM 0 H GLN A 31 -19.002 -7.742 17.329 1.00 0.00 H new ATOM 0 HA GLN A 31 -18.877 -7.315 20.132 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -18.212 -9.417 18.874 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -16.817 -8.562 18.247 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -16.095 -9.800 20.223 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -16.083 -8.097 20.634 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -18.153 -11.057 20.862 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -18.991 -10.533 22.326 1.00 0.00 H new ATOM 498 N LEU A 32 -16.618 -5.776 18.267 1.00 0.00 N ATOM 499 CA LEU A 32 -15.626 -4.707 18.287 1.00 0.00 C ATOM 500 C LEU A 32 -16.270 -3.388 18.701 1.00 0.00 C ATOM 501 O LEU A 32 -15.713 -2.640 19.503 1.00 0.00 O ATOM 502 CB LEU A 32 -14.991 -4.559 16.902 1.00 0.00 C ATOM 503 CG LEU A 32 -14.146 -5.800 16.580 1.00 0.00 C ATOM 504 CD1 LEU A 32 -13.688 -5.730 15.118 1.00 0.00 C ATOM 505 CD2 LEU A 32 -12.919 -5.876 17.516 1.00 0.00 C ATOM 0 H LEU A 32 -16.774 -6.196 17.351 1.00 0.00 H new ATOM 0 HA LEU A 32 -14.854 -4.964 19.013 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -15.768 -4.431 16.148 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -14.367 -3.666 16.872 1.00 0.00 H new ATOM 0 HG LEU A 32 -14.749 -6.695 16.733 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -13.087 -6.608 14.882 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -14.560 -5.701 14.465 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -13.091 -4.831 14.966 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -12.331 -6.761 17.274 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -12.305 -4.985 17.384 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -13.254 -5.935 18.551 1.00 0.00 H new ATOM 517 N ASP A 33 -17.448 -3.115 18.154 1.00 0.00 N ATOM 518 CA ASP A 33 -18.161 -1.888 18.482 1.00 0.00 C ATOM 519 C ASP A 33 -18.517 -1.862 19.963 1.00 0.00 C ATOM 520 O ASP A 33 -18.490 -0.810 20.602 1.00 0.00 O ATOM 521 CB ASP A 33 -19.434 -1.785 17.644 1.00 0.00 C ATOM 522 CG ASP A 33 -20.102 -0.435 17.880 1.00 0.00 C ATOM 523 OD1 ASP A 33 -19.836 0.162 18.911 1.00 0.00 O ATOM 524 OD2 ASP A 33 -20.864 -0.017 17.026 1.00 0.00 O ATOM 0 H ASP A 33 -17.926 -3.721 17.487 1.00 0.00 H new ATOM 0 HA ASP A 33 -17.514 -1.039 18.260 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -19.195 -1.902 16.587 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -20.119 -2.591 17.907 1.00 0.00 H new ATOM 529 N LEU A 34 -18.858 -3.028 20.499 1.00 0.00 N ATOM 530 CA LEU A 34 -19.228 -3.137 21.904 1.00 0.00 C ATOM 531 C LEU A 34 -18.053 -2.752 22.799 1.00 0.00 C ATOM 532 O LEU A 34 -18.237 -2.135 23.844 1.00 0.00 O ATOM 533 CB LEU A 34 -19.672 -4.573 22.229 1.00 0.00 C ATOM 534 CG LEU A 34 -20.526 -4.583 23.517 1.00 0.00 C ATOM 535 CD1 LEU A 34 -22.002 -4.335 23.171 1.00 0.00 C ATOM 536 CD2 LEU A 34 -20.397 -5.940 24.221 1.00 0.00 C ATOM 0 H LEU A 34 -18.886 -3.908 19.984 1.00 0.00 H new ATOM 0 HA LEU A 34 -20.056 -2.453 22.092 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -20.247 -4.981 21.398 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -18.799 -5.212 22.357 1.00 0.00 H new ATOM 0 HG LEU A 34 -20.169 -3.793 24.178 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -22.596 -4.344 24.085 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -22.103 -3.366 22.682 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -22.355 -5.119 22.501 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -21.002 -5.938 25.128 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -20.744 -6.730 23.555 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -19.353 -6.117 24.481 1.00 0.00 H new ATOM 548 N VAL A 35 -16.849 -3.131 22.386 1.00 0.00 N ATOM 549 CA VAL A 35 -15.654 -2.828 23.166 1.00 0.00 C ATOM 550 C VAL A 35 -15.521 -1.322 23.365 1.00 0.00 C ATOM 551 O VAL A 35 -14.979 -0.866 24.372 1.00 0.00 O ATOM 552 CB VAL A 35 -14.412 -3.364 22.444 1.00 0.00 C ATOM 553 CG1 VAL A 35 -13.145 -2.907 23.170 1.00 0.00 C ATOM 554 CG2 VAL A 35 -14.453 -4.892 22.424 1.00 0.00 C ATOM 0 H VAL A 35 -16.674 -3.645 21.522 1.00 0.00 H new ATOM 0 HA VAL A 35 -15.741 -3.308 24.141 1.00 0.00 H new ATOM 0 HB VAL A 35 -14.402 -2.980 21.424 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -12.268 -3.293 22.650 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -13.108 -1.818 23.186 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -13.155 -3.285 24.192 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -13.570 -5.273 21.911 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -14.469 -5.269 23.447 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -15.349 -5.225 21.900 1.00 0.00 H new ATOM 564 N HIS A 36 -16.019 -0.556 22.401 1.00 0.00 N ATOM 565 CA HIS A 36 -15.948 0.900 22.487 1.00 0.00 C ATOM 566 C HIS A 36 -17.018 1.444 23.428 1.00 0.00 C ATOM 567 O HIS A 36 -16.756 2.348 24.221 1.00 0.00 O ATOM 568 CB HIS A 36 -16.134 1.511 21.097 1.00 0.00 C ATOM 569 CG HIS A 36 -14.911 1.247 20.263 1.00 0.00 C ATOM 570 ND1 HIS A 36 -13.745 1.980 20.412 1.00 0.00 N ATOM 571 CD2 HIS A 36 -14.657 0.336 19.269 1.00 0.00 C ATOM 572 CE1 HIS A 36 -12.850 1.503 19.529 1.00 0.00 C ATOM 573 NE2 HIS A 36 -13.354 0.499 18.807 1.00 0.00 N ATOM 0 H HIS A 36 -16.472 -0.912 21.559 1.00 0.00 H new ATOM 0 HA HIS A 36 -14.968 1.171 22.881 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -17.014 1.084 20.616 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -16.305 2.584 21.180 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -15.361 -0.396 18.901 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -11.846 1.885 19.417 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -12.885 -0.034 18.075 1.00 0.00 H new ATOM 581 N GLN A 37 -18.224 0.889 23.337 1.00 0.00 N ATOM 582 CA GLN A 37 -19.326 1.332 24.186 1.00 0.00 C ATOM 583 C GLN A 37 -19.274 0.634 25.541 1.00 0.00 C ATOM 584 O GLN A 37 -19.862 1.104 26.516 1.00 0.00 O ATOM 585 CB GLN A 37 -20.662 1.025 23.505 1.00 0.00 C ATOM 586 CG GLN A 37 -20.818 1.907 22.264 1.00 0.00 C ATOM 587 CD GLN A 37 -22.136 1.594 21.564 1.00 0.00 C ATOM 588 OE1 GLN A 37 -23.179 1.513 22.210 1.00 0.00 O ATOM 589 NE2 GLN A 37 -22.150 1.414 20.270 1.00 0.00 N ATOM 0 H GLN A 37 -18.462 0.138 22.689 1.00 0.00 H new ATOM 0 HA GLN A 37 -19.232 2.407 24.340 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -20.706 -0.027 23.224 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -21.485 1.204 24.197 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -20.789 2.959 22.549 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -19.985 1.739 21.581 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -21.283 1.482 19.736 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -23.028 1.206 19.794 1.00 0.00 H new ATOM 598 N ALA A 38 -18.567 -0.487 25.594 1.00 0.00 N ATOM 599 CA ALA A 38 -18.439 -1.246 26.831 1.00 0.00 C ATOM 600 C ALA A 38 -17.408 -0.605 27.752 1.00 0.00 C ATOM 601 O ALA A 38 -16.611 0.229 27.324 1.00 0.00 O ATOM 602 CB ALA A 38 -18.022 -2.684 26.523 1.00 0.00 C ATOM 0 H ALA A 38 -18.074 -0.890 24.797 1.00 0.00 H new ATOM 0 HA ALA A 38 -19.407 -1.247 27.332 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -17.929 -3.243 27.454 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -18.776 -3.154 25.891 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -17.064 -2.682 26.004 1.00 0.00 H new ATOM 608 N LYS A 39 -17.422 -1.010 29.017 1.00 0.00 N ATOM 609 CA LYS A 39 -16.477 -0.476 29.987 1.00 0.00 C ATOM 610 C LYS A 39 -16.412 -1.370 31.220 1.00 0.00 C ATOM 611 O LYS A 39 -17.436 -1.855 31.701 1.00 0.00 O ATOM 612 CB LYS A 39 -16.891 0.940 30.400 1.00 0.00 C ATOM 613 CG LYS A 39 -15.715 1.653 31.096 1.00 0.00 C ATOM 614 CD LYS A 39 -14.810 2.323 30.054 1.00 0.00 C ATOM 615 CE LYS A 39 -13.685 3.077 30.766 1.00 0.00 C ATOM 616 NZ LYS A 39 -12.816 3.737 29.753 1.00 0.00 N ATOM 0 H LYS A 39 -18.072 -1.701 29.391 1.00 0.00 H new ATOM 0 HA LYS A 39 -15.491 -0.443 29.524 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -17.202 1.507 29.523 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -17.748 0.895 31.072 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -16.094 2.400 31.793 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -15.139 0.935 31.680 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -14.392 1.572 29.383 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -15.391 3.011 29.440 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -14.103 3.821 31.444 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -13.097 2.388 31.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -12.050 4.250 30.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -12.408 3.017 29.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -13.382 4.406 29.193 1.00 0.00 H new ATOM 630 N GLY A 40 -15.204 -1.577 31.731 1.00 0.00 N ATOM 631 CA GLY A 40 -15.019 -2.408 32.913 1.00 0.00 C ATOM 632 C GLY A 40 -15.312 -3.877 32.615 1.00 0.00 C ATOM 633 O GLY A 40 -14.689 -4.482 31.744 1.00 0.00 O ATOM 0 H GLY A 40 -14.344 -1.184 31.348 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -13.996 -2.306 33.274 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -15.675 -2.059 33.711 1.00 0.00 H new ATOM 637 N ARG A 41 -16.257 -4.444 33.359 1.00 0.00 N ATOM 638 CA ARG A 41 -16.623 -5.847 33.190 1.00 0.00 C ATOM 639 C ARG A 41 -17.165 -6.103 31.790 1.00 0.00 C ATOM 640 O ARG A 41 -16.865 -7.125 31.174 1.00 0.00 O ATOM 641 CB ARG A 41 -17.701 -6.205 34.207 1.00 0.00 C ATOM 642 CG ARG A 41 -17.114 -6.136 35.613 1.00 0.00 C ATOM 643 CD ARG A 41 -18.244 -6.286 36.625 1.00 0.00 C ATOM 644 NE ARG A 41 -17.712 -6.227 37.986 1.00 0.00 N ATOM 645 CZ ARG A 41 -17.499 -5.062 38.594 1.00 0.00 C ATOM 646 NH1 ARG A 41 -17.774 -3.945 37.977 1.00 0.00 N ATOM 647 NH2 ARG A 41 -17.016 -5.031 39.807 1.00 0.00 N ATOM 0 H ARG A 41 -16.783 -3.955 34.084 1.00 0.00 H new ATOM 0 HA ARG A 41 -15.733 -6.459 33.340 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -18.543 -5.518 34.118 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -18.084 -7.206 34.010 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -16.375 -6.925 35.753 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -16.599 -5.187 35.761 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -18.980 -5.495 36.480 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -18.759 -7.234 36.469 1.00 0.00 H new ATOM 0 HE ARG A 41 -17.500 -7.095 38.479 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -18.152 -3.965 37.030 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -17.611 -3.052 38.442 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -16.800 -5.902 40.292 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -16.854 -4.136 40.269 1.00 0.00 H new ATOM 661 N ASP A 42 -17.971 -5.172 31.299 1.00 0.00 N ATOM 662 CA ASP A 42 -18.559 -5.308 29.977 1.00 0.00 C ATOM 663 C ASP A 42 -17.472 -5.329 28.907 1.00 0.00 C ATOM 664 O ASP A 42 -17.576 -6.056 27.919 1.00 0.00 O ATOM 665 CB ASP A 42 -19.518 -4.148 29.726 1.00 0.00 C ATOM 666 CG ASP A 42 -20.161 -4.287 28.348 1.00 0.00 C ATOM 667 OD1 ASP A 42 -19.751 -5.171 27.611 1.00 0.00 O ATOM 668 OD2 ASP A 42 -21.053 -3.511 28.049 1.00 0.00 O ATOM 0 H ASP A 42 -18.231 -4.319 31.794 1.00 0.00 H new ATOM 0 HA ASP A 42 -19.107 -6.249 29.928 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -20.290 -4.131 30.496 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -18.981 -3.202 29.792 1.00 0.00 H new ATOM 673 N GLN A 43 -16.427 -4.533 29.109 1.00 0.00 N ATOM 674 CA GLN A 43 -15.329 -4.479 28.153 1.00 0.00 C ATOM 675 C GLN A 43 -14.587 -5.812 28.116 1.00 0.00 C ATOM 676 O GLN A 43 -14.210 -6.297 27.049 1.00 0.00 O ATOM 677 CB GLN A 43 -14.356 -3.368 28.541 1.00 0.00 C ATOM 678 CG GLN A 43 -13.289 -3.220 27.459 1.00 0.00 C ATOM 679 CD GLN A 43 -12.398 -2.024 27.769 1.00 0.00 C ATOM 680 OE1 GLN A 43 -12.763 -1.167 28.574 1.00 0.00 O ATOM 681 NE2 GLN A 43 -11.242 -1.910 27.173 1.00 0.00 N ATOM 0 H GLN A 43 -16.318 -3.922 29.919 1.00 0.00 H new ATOM 0 HA GLN A 43 -15.741 -4.275 27.165 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -14.893 -2.428 28.667 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -13.888 -3.598 29.498 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -12.688 -4.127 27.403 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -13.762 -3.090 26.485 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -10.940 -2.620 26.506 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -10.641 -1.111 27.374 1.00 0.00 H new ATOM 690 N ILE A 44 -14.384 -6.399 29.292 1.00 0.00 N ATOM 691 CA ILE A 44 -13.688 -7.679 29.392 1.00 0.00 C ATOM 692 C ILE A 44 -14.494 -8.783 28.716 1.00 0.00 C ATOM 693 O ILE A 44 -13.940 -9.628 28.013 1.00 0.00 O ATOM 694 CB ILE A 44 -13.455 -8.042 30.864 1.00 0.00 C ATOM 695 CG1 ILE A 44 -12.453 -7.059 31.476 1.00 0.00 C ATOM 696 CG2 ILE A 44 -12.891 -9.465 30.961 1.00 0.00 C ATOM 697 CD1 ILE A 44 -12.415 -7.246 32.993 1.00 0.00 C ATOM 0 H ILE A 44 -14.689 -6.012 30.185 1.00 0.00 H new ATOM 0 HA ILE A 44 -12.727 -7.584 28.887 1.00 0.00 H new ATOM 0 HB ILE A 44 -14.400 -7.989 31.404 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -11.462 -7.224 31.054 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -12.737 -6.035 31.232 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -12.726 -9.721 32.008 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -13.600 -10.168 30.523 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -11.946 -9.519 30.421 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -11.702 -6.546 33.428 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -13.406 -7.059 33.408 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -12.111 -8.266 33.226 1.00 0.00 H new ATOM 709 N ALA A 45 -15.802 -8.780 28.942 1.00 0.00 N ATOM 710 CA ALA A 45 -16.668 -9.798 28.361 1.00 0.00 C ATOM 711 C ALA A 45 -16.455 -9.884 26.853 1.00 0.00 C ATOM 712 O ALA A 45 -16.392 -10.977 26.289 1.00 0.00 O ATOM 713 CB ALA A 45 -18.132 -9.458 28.651 1.00 0.00 C ATOM 0 H ALA A 45 -16.283 -8.090 29.519 1.00 0.00 H new ATOM 0 HA ALA A 45 -16.420 -10.761 28.807 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -18.776 -10.222 28.215 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -18.291 -9.422 29.729 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -18.373 -8.488 28.216 1.00 0.00 H new ATOM 719 N ALA A 46 -16.330 -8.732 26.208 1.00 0.00 N ATOM 720 CA ALA A 46 -16.110 -8.691 24.770 1.00 0.00 C ATOM 721 C ALA A 46 -14.773 -9.328 24.423 1.00 0.00 C ATOM 722 O ALA A 46 -14.646 -10.025 23.416 1.00 0.00 O ATOM 723 CB ALA A 46 -16.132 -7.244 24.285 1.00 0.00 C ATOM 0 H ALA A 46 -16.377 -7.817 26.656 1.00 0.00 H new ATOM 0 HA ALA A 46 -16.905 -9.250 24.277 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -15.967 -7.219 23.208 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -17.100 -6.798 24.514 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -15.345 -6.680 24.786 1.00 0.00 H new ATOM 729 N SER A 47 -13.772 -9.077 25.260 1.00 0.00 N ATOM 730 CA SER A 47 -12.446 -9.623 25.024 1.00 0.00 C ATOM 731 C SER A 47 -12.477 -11.148 25.052 1.00 0.00 C ATOM 732 O SER A 47 -11.880 -11.807 24.201 1.00 0.00 O ATOM 733 CB SER A 47 -11.467 -9.113 26.082 1.00 0.00 C ATOM 734 OG SER A 47 -10.170 -9.628 25.808 1.00 0.00 O ATOM 0 H SER A 47 -13.855 -8.504 26.100 1.00 0.00 H new ATOM 0 HA SER A 47 -12.116 -9.295 24.038 1.00 0.00 H new ATOM 0 HB2 SER A 47 -11.446 -8.023 26.080 1.00 0.00 H new ATOM 0 HB3 SER A 47 -11.792 -9.424 27.075 1.00 0.00 H new ATOM 0 HG SER A 47 -9.539 -9.302 26.483 1.00 0.00 H new ATOM 740 N PHE A 48 -13.179 -11.700 26.036 1.00 0.00 N ATOM 741 CA PHE A 48 -13.284 -13.149 26.168 1.00 0.00 C ATOM 742 C PHE A 48 -13.988 -13.745 24.953 1.00 0.00 C ATOM 743 O PHE A 48 -13.532 -14.738 24.390 1.00 0.00 O ATOM 744 CB PHE A 48 -14.063 -13.499 27.451 1.00 0.00 C ATOM 745 CG PHE A 48 -13.123 -13.517 28.641 1.00 0.00 C ATOM 746 CD1 PHE A 48 -12.327 -12.400 28.923 1.00 0.00 C ATOM 747 CD2 PHE A 48 -13.040 -14.656 29.454 1.00 0.00 C ATOM 748 CE1 PHE A 48 -11.453 -12.421 30.016 1.00 0.00 C ATOM 749 CE2 PHE A 48 -12.165 -14.676 30.547 1.00 0.00 C ATOM 750 CZ PHE A 48 -11.371 -13.558 30.827 1.00 0.00 C ATOM 0 H PHE A 48 -13.681 -11.171 26.749 1.00 0.00 H new ATOM 0 HA PHE A 48 -12.280 -13.570 26.229 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -14.856 -12.770 27.615 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -14.542 -14.472 27.341 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -12.387 -11.522 28.297 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -13.652 -15.519 29.237 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -10.841 -11.558 30.234 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -12.103 -15.554 31.174 1.00 0.00 H new ATOM 0 HZ PHE A 48 -10.695 -13.573 31.669 1.00 0.00 H new ATOM 760 N GLU A 49 -15.099 -13.137 24.558 1.00 0.00 N ATOM 761 CA GLU A 49 -15.855 -13.625 23.412 1.00 0.00 C ATOM 762 C GLU A 49 -15.060 -13.432 22.127 1.00 0.00 C ATOM 763 O GLU A 49 -15.049 -14.300 21.255 1.00 0.00 O ATOM 764 CB GLU A 49 -17.185 -12.877 23.309 1.00 0.00 C ATOM 765 CG GLU A 49 -18.015 -13.461 22.164 1.00 0.00 C ATOM 766 CD GLU A 49 -19.366 -12.758 22.090 1.00 0.00 C ATOM 767 OE1 GLU A 49 -19.716 -12.085 23.045 1.00 0.00 O ATOM 768 OE2 GLU A 49 -20.031 -12.902 21.077 1.00 0.00 O ATOM 0 H GLU A 49 -15.494 -12.312 25.010 1.00 0.00 H new ATOM 0 HA GLU A 49 -16.046 -14.689 23.551 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -17.733 -12.959 24.247 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -17.005 -11.816 23.136 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -17.482 -13.343 21.220 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -18.160 -14.530 22.317 1.00 0.00 H new ATOM 775 N LEU A 50 -14.394 -12.291 22.021 1.00 0.00 N ATOM 776 CA LEU A 50 -13.595 -11.991 20.840 1.00 0.00 C ATOM 777 C LEU A 50 -12.473 -13.011 20.686 1.00 0.00 C ATOM 778 O LEU A 50 -12.101 -13.371 19.569 1.00 0.00 O ATOM 779 CB LEU A 50 -12.997 -10.583 20.946 1.00 0.00 C ATOM 780 CG LEU A 50 -12.259 -10.223 19.646 1.00 0.00 C ATOM 781 CD1 LEU A 50 -13.247 -10.160 18.463 1.00 0.00 C ATOM 782 CD2 LEU A 50 -11.564 -8.868 19.823 1.00 0.00 C ATOM 0 H LEU A 50 -14.390 -11.561 22.734 1.00 0.00 H new ATOM 0 HA LEU A 50 -14.244 -12.039 19.966 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -13.787 -9.857 21.138 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -12.308 -10.534 21.790 1.00 0.00 H new ATOM 0 HG LEU A 50 -11.517 -10.991 19.430 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -12.707 -9.904 17.551 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -13.729 -11.130 18.339 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -14.004 -9.402 18.661 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -11.038 -8.606 18.905 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -12.308 -8.104 20.046 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -10.850 -8.930 20.645 1.00 0.00 H new ATOM 794 N ASN A 51 -11.921 -13.459 21.808 1.00 0.00 N ATOM 795 CA ASN A 51 -10.826 -14.419 21.771 1.00 0.00 C ATOM 796 C ASN A 51 -11.239 -15.677 21.015 1.00 0.00 C ATOM 797 O ASN A 51 -10.498 -16.174 20.167 1.00 0.00 O ATOM 798 CB ASN A 51 -10.430 -14.798 23.201 1.00 0.00 C ATOM 799 CG ASN A 51 -9.336 -15.862 23.190 1.00 0.00 C ATOM 800 OD1 ASN A 51 -9.553 -17.006 22.600 1.00 0.00 O flip ATOM 801 ND2 ASN A 51 -8.256 -15.647 23.739 1.00 0.00 N flip ATOM 0 H ASN A 51 -12.210 -13.176 22.744 1.00 0.00 H new ATOM 0 HA ASN A 51 -9.980 -13.961 21.258 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -10.080 -13.914 23.734 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -11.302 -15.170 23.739 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -8.087 -14.753 24.200 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -7.530 -16.363 23.733 1.00 0.00 H new ATOM 808 N LYS A 52 -12.425 -16.180 21.323 1.00 0.00 N ATOM 809 CA LYS A 52 -12.934 -17.378 20.662 1.00 0.00 C ATOM 810 C LYS A 52 -13.184 -17.097 19.193 1.00 0.00 C ATOM 811 O LYS A 52 -12.911 -17.931 18.331 1.00 0.00 O ATOM 812 CB LYS A 52 -14.235 -17.842 21.335 1.00 0.00 C ATOM 813 CG LYS A 52 -14.148 -17.624 22.848 1.00 0.00 C ATOM 814 CD LYS A 52 -12.916 -18.328 23.423 1.00 0.00 C ATOM 815 CE LYS A 52 -12.869 -18.084 24.921 1.00 0.00 C ATOM 816 NZ LYS A 52 -11.700 -18.804 25.497 1.00 0.00 N ATOM 0 H LYS A 52 -13.052 -15.782 22.022 1.00 0.00 H new ATOM 0 HA LYS A 52 -12.189 -18.169 20.750 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -15.082 -17.290 20.928 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -14.409 -18.896 21.121 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -14.098 -16.557 23.065 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -15.049 -18.005 23.328 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -12.961 -19.397 23.216 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -12.010 -17.950 22.950 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -12.791 -17.016 25.125 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -13.791 -18.431 25.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -11.663 -18.640 26.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -11.794 -19.823 25.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -10.825 -18.452 25.058 1.00 0.00 H new ATOM 830 N LYS A 53 -13.718 -15.918 18.920 1.00 0.00 N ATOM 831 CA LYS A 53 -14.017 -15.534 17.545 1.00 0.00 C ATOM 832 C LYS A 53 -12.752 -15.518 16.695 1.00 0.00 C ATOM 833 O LYS A 53 -12.706 -16.123 15.623 1.00 0.00 O ATOM 834 CB LYS A 53 -14.651 -14.143 17.526 1.00 0.00 C ATOM 835 CG LYS A 53 -15.327 -13.900 16.170 1.00 0.00 C ATOM 836 CD LYS A 53 -16.047 -12.542 16.175 1.00 0.00 C ATOM 837 CE LYS A 53 -17.407 -12.655 16.876 1.00 0.00 C ATOM 838 NZ LYS A 53 -18.173 -11.391 16.667 1.00 0.00 N ATOM 0 H LYS A 53 -13.952 -15.215 19.621 1.00 0.00 H new ATOM 0 HA LYS A 53 -14.709 -16.267 17.130 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -15.383 -14.056 18.329 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -13.890 -13.384 17.705 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -14.582 -13.923 15.374 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -16.040 -14.698 15.962 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -15.431 -11.799 16.682 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -16.187 -12.195 15.151 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -17.965 -13.503 16.478 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -17.266 -12.837 17.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -19.133 -11.499 17.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -17.691 -10.608 17.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -18.229 -11.183 15.649 1.00 0.00 H new ATOM 852 N ILE A 54 -11.722 -14.831 17.180 1.00 0.00 N ATOM 853 CA ILE A 54 -10.463 -14.757 16.449 1.00 0.00 C ATOM 854 C ILE A 54 -9.782 -16.118 16.431 1.00 0.00 C ATOM 855 O ILE A 54 -9.283 -16.563 15.397 1.00 0.00 O ATOM 856 CB ILE A 54 -9.540 -13.722 17.103 1.00 0.00 C ATOM 857 CG1 ILE A 54 -10.135 -12.322 16.917 1.00 0.00 C ATOM 858 CG2 ILE A 54 -8.148 -13.776 16.456 1.00 0.00 C ATOM 859 CD1 ILE A 54 -9.394 -11.329 17.814 1.00 0.00 C ATOM 0 H ILE A 54 -11.734 -14.324 18.065 1.00 0.00 H new ATOM 0 HA ILE A 54 -10.671 -14.455 15.423 1.00 0.00 H new ATOM 0 HB ILE A 54 -9.448 -13.945 18.166 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -10.054 -12.017 15.874 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -11.196 -12.331 17.165 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -7.499 -13.037 16.927 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -7.723 -14.771 16.590 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -8.233 -13.558 15.391 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -9.817 -10.333 17.682 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -9.498 -11.632 18.856 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -8.338 -11.313 17.545 1.00 0.00 H new ATOM 871 N ASN A 55 -9.763 -16.775 17.586 1.00 0.00 N ATOM 872 CA ASN A 55 -9.138 -18.085 17.694 1.00 0.00 C ATOM 873 C ASN A 55 -9.841 -19.098 16.796 1.00 0.00 C ATOM 874 O ASN A 55 -9.193 -19.881 16.101 1.00 0.00 O ATOM 875 CB ASN A 55 -9.185 -18.568 19.145 1.00 0.00 C ATOM 876 CG ASN A 55 -8.602 -19.973 19.247 1.00 0.00 C ATOM 877 OD1 ASN A 55 -7.635 -20.297 18.558 1.00 0.00 O ATOM 878 ND2 ASN A 55 -9.137 -20.833 20.069 1.00 0.00 N ATOM 0 H ASN A 55 -10.170 -16.424 18.453 1.00 0.00 H new ATOM 0 HA ASN A 55 -8.100 -17.995 17.372 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -8.623 -17.885 19.782 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -10.214 -18.566 19.504 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -8.754 -21.776 20.141 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -9.938 -20.563 20.639 1.00 0.00 H new ATOM 885 N ASP A 56 -11.169 -19.078 16.820 1.00 0.00 N ATOM 886 CA ASP A 56 -11.956 -19.998 16.008 1.00 0.00 C ATOM 887 C ASP A 56 -11.726 -19.734 14.524 1.00 0.00 C ATOM 888 O ASP A 56 -11.611 -20.664 13.726 1.00 0.00 O ATOM 889 CB ASP A 56 -13.443 -19.843 16.330 1.00 0.00 C ATOM 890 CG ASP A 56 -13.734 -20.403 17.718 1.00 0.00 C ATOM 891 OD1 ASP A 56 -12.872 -21.077 18.256 1.00 0.00 O ATOM 892 OD2 ASP A 56 -14.814 -20.147 18.224 1.00 0.00 O ATOM 0 H ASP A 56 -11.721 -18.438 17.390 1.00 0.00 H new ATOM 0 HA ASP A 56 -11.640 -21.015 16.239 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -13.726 -18.791 16.286 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -14.042 -20.366 15.584 1.00 0.00 H new ATOM 897 N TYR A 57 -11.664 -18.456 14.163 1.00 0.00 N ATOM 898 CA TYR A 57 -11.455 -18.072 12.773 1.00 0.00 C ATOM 899 C TYR A 57 -10.136 -18.641 12.258 1.00 0.00 C ATOM 900 O TYR A 57 -10.060 -19.134 11.133 1.00 0.00 O ATOM 901 CB TYR A 57 -11.448 -16.546 12.645 1.00 0.00 C ATOM 902 CG TYR A 57 -11.208 -16.162 11.204 1.00 0.00 C ATOM 903 CD1 TYR A 57 -12.194 -16.417 10.244 1.00 0.00 C ATOM 904 CD2 TYR A 57 -10.002 -15.554 10.824 1.00 0.00 C ATOM 905 CE1 TYR A 57 -11.979 -16.064 8.906 1.00 0.00 C ATOM 906 CE2 TYR A 57 -9.789 -15.201 9.486 1.00 0.00 C ATOM 907 CZ TYR A 57 -10.777 -15.456 8.527 1.00 0.00 C ATOM 908 OH TYR A 57 -10.566 -15.109 7.208 1.00 0.00 O ATOM 0 H TYR A 57 -11.755 -17.673 14.811 1.00 0.00 H new ATOM 0 HA TYR A 57 -12.271 -18.477 12.174 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -12.399 -16.137 12.988 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -10.671 -16.121 13.280 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -13.122 -16.887 10.535 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -9.239 -15.359 11.563 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -12.741 -16.261 8.166 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -8.862 -14.731 9.193 1.00 0.00 H new ATOM 0 HH TYR A 57 -9.682 -14.696 7.116 1.00 0.00 H new ATOM 918 N ILE A 58 -9.103 -18.571 13.090 1.00 0.00 N ATOM 919 CA ILE A 58 -7.792 -19.087 12.710 1.00 0.00 C ATOM 920 C ILE A 58 -7.865 -20.592 12.463 1.00 0.00 C ATOM 921 O ILE A 58 -7.304 -21.099 11.492 1.00 0.00 O ATOM 922 CB ILE A 58 -6.775 -18.794 13.819 1.00 0.00 C ATOM 923 CG1 ILE A 58 -6.525 -17.283 13.897 1.00 0.00 C ATOM 924 CG2 ILE A 58 -5.454 -19.509 13.517 1.00 0.00 C ATOM 925 CD1 ILE A 58 -5.778 -16.953 15.192 1.00 0.00 C ATOM 0 H ILE A 58 -9.146 -18.165 14.025 1.00 0.00 H new ATOM 0 HA ILE A 58 -7.476 -18.594 11.791 1.00 0.00 H new ATOM 0 HB ILE A 58 -7.170 -19.152 14.770 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -5.943 -16.955 13.036 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -7.472 -16.745 13.864 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -4.736 -19.296 14.309 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -5.626 -20.584 13.462 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -5.059 -19.156 12.565 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -5.601 -15.879 15.246 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -6.377 -17.266 16.047 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -4.824 -17.479 15.206 1.00 0.00 H new ATOM 937 N ALA A 59 -8.559 -21.299 13.347 1.00 0.00 N ATOM 938 CA ALA A 59 -8.696 -22.745 13.213 1.00 0.00 C ATOM 939 C ALA A 59 -9.389 -23.096 11.902 1.00 0.00 C ATOM 940 O ALA A 59 -9.181 -24.177 11.350 1.00 0.00 O ATOM 941 CB ALA A 59 -9.502 -23.305 14.387 1.00 0.00 C ATOM 0 H ALA A 59 -9.032 -20.899 14.158 1.00 0.00 H new ATOM 0 HA ALA A 59 -7.700 -23.188 13.214 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -9.600 -24.385 14.279 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -8.989 -23.079 15.322 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -10.493 -22.851 14.398 1.00 0.00 H new ATOM 947 N GLU A 60 -10.217 -22.180 11.412 1.00 0.00 N ATOM 948 CA GLU A 60 -10.936 -22.406 10.162 1.00 0.00 C ATOM 949 C GLU A 60 -9.981 -22.326 8.971 1.00 0.00 C ATOM 950 O GLU A 60 -10.084 -23.112 8.028 1.00 0.00 O ATOM 951 CB GLU A 60 -12.044 -21.362 10.003 1.00 0.00 C ATOM 952 CG GLU A 60 -12.958 -21.756 8.839 1.00 0.00 C ATOM 953 CD GLU A 60 -13.797 -22.969 9.228 1.00 0.00 C ATOM 954 OE1 GLU A 60 -13.737 -23.360 10.382 1.00 0.00 O ATOM 955 OE2 GLU A 60 -14.487 -23.487 8.366 1.00 0.00 O ATOM 0 H GLU A 60 -10.407 -21.281 11.856 1.00 0.00 H new ATOM 0 HA GLU A 60 -11.377 -23.402 10.192 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -12.623 -21.288 10.924 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -11.608 -20.380 9.820 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -13.608 -20.922 8.577 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -12.360 -21.984 7.956 1.00 0.00 H new ATOM 962 N HIS A 61 -9.056 -21.365 9.017 1.00 0.00 N ATOM 963 CA HIS A 61 -8.083 -21.177 7.934 1.00 0.00 C ATOM 964 C HIS A 61 -6.690 -20.909 8.503 1.00 0.00 C ATOM 965 O HIS A 61 -6.141 -19.819 8.336 1.00 0.00 O ATOM 966 CB HIS A 61 -8.515 -20.002 7.053 1.00 0.00 C ATOM 967 CG HIS A 61 -9.964 -20.164 6.685 1.00 0.00 C ATOM 968 ND1 HIS A 61 -10.389 -21.092 5.749 1.00 0.00 N ATOM 969 CD2 HIS A 61 -11.099 -19.526 7.123 1.00 0.00 C ATOM 970 CE1 HIS A 61 -11.727 -20.990 5.653 1.00 0.00 C ATOM 971 NE2 HIS A 61 -12.210 -20.050 6.469 1.00 0.00 N ATOM 0 H HIS A 61 -8.959 -20.706 9.789 1.00 0.00 H new ATOM 0 HA HIS A 61 -8.045 -22.088 7.336 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -8.365 -19.061 7.583 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -7.901 -19.962 6.153 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -11.125 -18.739 7.862 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -12.336 -21.594 4.997 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -13.185 -19.775 6.588 1.00 0.00 H new ATOM 979 N PRO A 62 -6.115 -21.876 9.174 1.00 0.00 N ATOM 980 CA PRO A 62 -4.761 -21.738 9.787 1.00 0.00 C ATOM 981 C PRO A 62 -3.655 -21.752 8.732 1.00 0.00 C ATOM 982 O PRO A 62 -2.516 -21.375 9.008 1.00 0.00 O ATOM 983 CB PRO A 62 -4.665 -22.946 10.733 1.00 0.00 C ATOM 984 CG PRO A 62 -5.587 -23.975 10.154 1.00 0.00 C ATOM 985 CD PRO A 62 -6.694 -23.208 9.417 1.00 0.00 C ATOM 0 HA PRO A 62 -4.631 -20.789 10.306 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -3.643 -23.321 10.790 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -4.963 -22.677 11.746 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -5.052 -24.634 9.471 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -6.008 -24.603 10.939 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -6.965 -23.700 8.483 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -7.601 -23.144 10.018 1.00 0.00 H new ATOM 993 N THR A 63 -3.999 -22.198 7.527 1.00 0.00 N ATOM 994 CA THR A 63 -3.026 -22.261 6.441 1.00 0.00 C ATOM 995 C THR A 63 -2.853 -20.893 5.789 1.00 0.00 C ATOM 996 O THR A 63 -1.808 -20.601 5.207 1.00 0.00 O ATOM 997 CB THR A 63 -3.488 -23.274 5.392 1.00 0.00 C ATOM 998 OG1 THR A 63 -2.461 -23.459 4.430 1.00 0.00 O ATOM 999 CG2 THR A 63 -4.752 -22.757 4.702 1.00 0.00 C ATOM 0 H THR A 63 -4.935 -22.518 7.279 1.00 0.00 H new ATOM 0 HA THR A 63 -2.067 -22.573 6.855 1.00 0.00 H new ATOM 0 HB THR A 63 -3.706 -24.226 5.877 1.00 0.00 H new ATOM 0 HG1 THR A 63 -2.755 -24.109 3.758 1.00 0.00 H new ATOM 0 HG21 THR A 63 -5.080 -23.480 3.955 1.00 0.00 H new ATOM 0 HG22 THR A 63 -5.540 -22.618 5.442 1.00 0.00 H new ATOM 0 HG23 THR A 63 -4.538 -21.805 4.216 1.00 0.00 H new ATOM 1007 N SER A 64 -3.879 -20.055 5.895 1.00 0.00 N ATOM 1008 CA SER A 64 -3.822 -18.719 5.313 1.00 0.00 C ATOM 1009 C SER A 64 -3.054 -17.771 6.231 1.00 0.00 C ATOM 1010 O SER A 64 -3.041 -17.948 7.449 1.00 0.00 O ATOM 1011 CB SER A 64 -5.238 -18.186 5.093 1.00 0.00 C ATOM 1012 OG SER A 64 -5.986 -18.332 6.293 1.00 0.00 O ATOM 0 H SER A 64 -4.752 -20.274 6.374 1.00 0.00 H new ATOM 0 HA SER A 64 -3.305 -18.779 4.355 1.00 0.00 H new ATOM 0 HB2 SER A 64 -5.203 -17.137 4.798 1.00 0.00 H new ATOM 0 HB3 SER A 64 -5.721 -18.729 4.281 1.00 0.00 H new ATOM 0 HG SER A 64 -5.459 -18.836 6.948 1.00 0.00 H new ATOM 1018 N GLY A 65 -2.419 -16.762 5.638 1.00 0.00 N ATOM 1019 CA GLY A 65 -1.652 -15.783 6.409 1.00 0.00 C ATOM 1020 C GLY A 65 -2.494 -14.545 6.700 1.00 0.00 C ATOM 1021 O GLY A 65 -2.120 -13.705 7.519 1.00 0.00 O ATOM 0 H GLY A 65 -2.419 -16.600 4.631 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -1.319 -16.231 7.345 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -0.757 -15.498 5.856 1.00 0.00 H new ATOM 1025 N ARG A 66 -3.631 -14.440 6.022 1.00 0.00 N ATOM 1026 CA ARG A 66 -4.522 -13.300 6.208 1.00 0.00 C ATOM 1027 C ARG A 66 -5.025 -13.249 7.648 1.00 0.00 C ATOM 1028 O ARG A 66 -5.200 -12.171 8.217 1.00 0.00 O ATOM 1029 CB ARG A 66 -5.718 -13.395 5.249 1.00 0.00 C ATOM 1030 CG ARG A 66 -6.398 -12.015 5.127 1.00 0.00 C ATOM 1031 CD ARG A 66 -5.740 -11.204 4.002 1.00 0.00 C ATOM 1032 NE ARG A 66 -6.142 -9.805 4.089 1.00 0.00 N ATOM 1033 CZ ARG A 66 -5.542 -8.971 4.930 1.00 0.00 C ATOM 1034 NH1 ARG A 66 -4.580 -9.400 5.701 1.00 0.00 N ATOM 1035 NH2 ARG A 66 -5.914 -7.723 4.987 1.00 0.00 N ATOM 0 H ARG A 66 -3.957 -15.126 5.342 1.00 0.00 H new ATOM 0 HA ARG A 66 -3.963 -12.390 5.993 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -5.384 -13.735 4.269 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -6.433 -14.132 5.615 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -7.461 -12.141 4.922 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -6.317 -11.476 6.071 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -4.655 -11.283 4.073 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -6.027 -11.613 3.033 1.00 0.00 H new ATOM 0 HE ARG A 66 -6.896 -9.462 3.494 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -4.289 -10.377 5.658 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -4.120 -8.759 6.347 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -6.666 -7.387 4.385 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -5.453 -7.082 5.633 1.00 0.00 H new ATOM 1049 N ASN A 67 -5.261 -14.422 8.226 1.00 0.00 N ATOM 1050 CA ASN A 67 -5.752 -14.510 9.597 1.00 0.00 C ATOM 1051 C ASN A 67 -4.759 -13.874 10.563 1.00 0.00 C ATOM 1052 O ASN A 67 -5.150 -13.271 11.561 1.00 0.00 O ATOM 1053 CB ASN A 67 -5.975 -15.972 9.983 1.00 0.00 C ATOM 1054 CG ASN A 67 -6.948 -16.631 9.009 1.00 0.00 C ATOM 1055 OD1 ASN A 67 -7.422 -17.737 9.264 1.00 0.00 O ATOM 1056 ND2 ASN A 67 -7.276 -16.016 7.906 1.00 0.00 N ATOM 0 H ASN A 67 -5.121 -15.323 7.768 1.00 0.00 H new ATOM 0 HA ASN A 67 -6.698 -13.972 9.657 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -5.025 -16.506 9.977 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -6.368 -16.032 10.998 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -7.927 -16.452 7.253 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -6.882 -15.099 7.697 1.00 0.00 H new ATOM 1063 N GLN A 68 -3.474 -14.012 10.259 1.00 0.00 N ATOM 1064 CA GLN A 68 -2.434 -13.443 11.110 1.00 0.00 C ATOM 1065 C GLN A 68 -2.798 -12.020 11.525 1.00 0.00 C ATOM 1066 O GLN A 68 -2.321 -11.519 12.543 1.00 0.00 O ATOM 1067 CB GLN A 68 -1.099 -13.430 10.361 1.00 0.00 C ATOM 1068 CG GLN A 68 0.002 -12.906 11.285 1.00 0.00 C ATOM 1069 CD GLN A 68 1.357 -13.001 10.591 1.00 0.00 C ATOM 1070 OE1 GLN A 68 1.502 -13.726 9.606 1.00 0.00 O ATOM 1071 NE2 GLN A 68 2.363 -12.307 11.047 1.00 0.00 N ATOM 0 H GLN A 68 -3.128 -14.508 9.438 1.00 0.00 H new ATOM 0 HA GLN A 68 -2.346 -14.059 12.005 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -0.853 -14.435 10.019 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -1.174 -12.801 9.474 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -0.204 -11.871 11.558 1.00 0.00 H new ATOM 0 HG3 GLN A 68 0.017 -13.483 12.210 1.00 0.00 H new ATOM 0 HE21 GLN A 68 2.241 -11.707 11.863 1.00 0.00 H new ATOM 0 HE22 GLN A 68 3.272 -12.364 10.588 1.00 0.00 H new ATOM 1080 N ALA A 69 -3.646 -11.370 10.732 1.00 0.00 N ATOM 1081 CA ALA A 69 -4.062 -10.005 11.032 1.00 0.00 C ATOM 1082 C ALA A 69 -5.032 -9.983 12.212 1.00 0.00 C ATOM 1083 O ALA A 69 -4.878 -9.191 13.142 1.00 0.00 O ATOM 1084 CB ALA A 69 -4.731 -9.386 9.804 1.00 0.00 C ATOM 0 H ALA A 69 -4.055 -11.763 9.884 1.00 0.00 H new ATOM 0 HA ALA A 69 -3.178 -9.425 11.297 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -5.040 -8.366 10.033 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -4.026 -9.373 8.973 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -5.605 -9.977 9.529 1.00 0.00 H new ATOM 1090 N LEU A 70 -6.026 -10.864 12.171 1.00 0.00 N ATOM 1091 CA LEU A 70 -7.013 -10.949 13.243 1.00 0.00 C ATOM 1092 C LEU A 70 -6.343 -11.388 14.545 1.00 0.00 C ATOM 1093 O LEU A 70 -6.685 -10.907 15.624 1.00 0.00 O ATOM 1094 CB LEU A 70 -8.118 -11.943 12.860 1.00 0.00 C ATOM 1095 CG LEU A 70 -9.124 -11.261 11.928 1.00 0.00 C ATOM 1096 CD1 LEU A 70 -8.403 -10.794 10.660 1.00 0.00 C ATOM 1097 CD2 LEU A 70 -10.235 -12.252 11.560 1.00 0.00 C ATOM 0 H LEU A 70 -6.170 -11.528 11.410 1.00 0.00 H new ATOM 0 HA LEU A 70 -7.456 -9.964 13.392 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -7.683 -12.813 12.368 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -8.624 -12.303 13.756 1.00 0.00 H new ATOM 0 HG LEU A 70 -9.565 -10.400 12.431 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -9.116 -10.308 9.994 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -7.617 -10.088 10.928 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -7.962 -11.653 10.155 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -10.951 -11.766 10.897 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -9.800 -13.115 11.055 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -10.745 -12.580 12.466 1.00 0.00 H new ATOM 1109 N THR A 71 -5.392 -12.312 14.430 1.00 0.00 N ATOM 1110 CA THR A 71 -4.685 -12.818 15.604 1.00 0.00 C ATOM 1111 C THR A 71 -4.126 -11.658 16.419 1.00 0.00 C ATOM 1112 O THR A 71 -4.209 -11.652 17.647 1.00 0.00 O ATOM 1113 CB THR A 71 -3.545 -13.741 15.172 1.00 0.00 C ATOM 1114 OG1 THR A 71 -4.032 -14.679 14.222 1.00 0.00 O ATOM 1115 CG2 THR A 71 -3.002 -14.485 16.393 1.00 0.00 C ATOM 0 H THR A 71 -5.095 -12.722 13.545 1.00 0.00 H new ATOM 0 HA THR A 71 -5.387 -13.381 16.220 1.00 0.00 H new ATOM 0 HB THR A 71 -2.747 -13.150 14.723 1.00 0.00 H new ATOM 0 HG1 THR A 71 -3.302 -15.270 13.943 1.00 0.00 H new ATOM 0 HG21 THR A 71 -2.189 -15.143 16.086 1.00 0.00 H new ATOM 0 HG22 THR A 71 -2.630 -13.765 17.122 1.00 0.00 H new ATOM 0 HG23 THR A 71 -3.799 -15.078 16.842 1.00 0.00 H new ATOM 1123 N GLN A 72 -3.567 -10.679 15.727 1.00 0.00 N ATOM 1124 CA GLN A 72 -3.007 -9.512 16.392 1.00 0.00 C ATOM 1125 C GLN A 72 -4.098 -8.751 17.136 1.00 0.00 C ATOM 1126 O GLN A 72 -3.844 -8.123 18.160 1.00 0.00 O ATOM 1127 CB GLN A 72 -2.371 -8.595 15.352 1.00 0.00 C ATOM 1128 CG GLN A 72 -1.091 -9.232 14.804 1.00 0.00 C ATOM 1129 CD GLN A 72 -0.018 -9.288 15.890 1.00 0.00 C ATOM 1130 OE1 GLN A 72 0.200 -8.305 16.599 1.00 0.00 O ATOM 1131 NE2 GLN A 72 0.672 -10.383 16.059 1.00 0.00 N ATOM 0 H GLN A 72 -3.489 -10.668 14.710 1.00 0.00 H new ATOM 0 HA GLN A 72 -2.254 -9.841 17.108 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -3.073 -8.412 14.538 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -2.143 -7.628 15.799 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -1.304 -10.238 14.442 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -0.726 -8.657 13.953 1.00 0.00 H new ATOM 0 HE21 GLN A 72 0.490 -11.196 15.471 1.00 0.00 H new ATOM 0 HE22 GLN A 72 1.393 -10.425 16.779 1.00 0.00 H new ATOM 1140 N LEU A 73 -5.313 -8.799 16.612 1.00 0.00 N ATOM 1141 CA LEU A 73 -6.423 -8.102 17.246 1.00 0.00 C ATOM 1142 C LEU A 73 -6.708 -8.717 18.618 1.00 0.00 C ATOM 1143 O LEU A 73 -7.012 -8.013 19.577 1.00 0.00 O ATOM 1144 CB LEU A 73 -7.670 -8.183 16.348 1.00 0.00 C ATOM 1145 CG LEU A 73 -8.530 -6.923 16.507 1.00 0.00 C ATOM 1146 CD1 LEU A 73 -9.796 -7.076 15.661 1.00 0.00 C ATOM 1147 CD2 LEU A 73 -8.905 -6.721 17.985 1.00 0.00 C ATOM 0 H LEU A 73 -5.555 -9.306 15.761 1.00 0.00 H new ATOM 0 HA LEU A 73 -6.160 -7.053 17.384 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -7.369 -8.296 15.307 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -8.255 -9.065 16.607 1.00 0.00 H new ATOM 0 HG LEU A 73 -7.967 -6.052 16.171 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -10.415 -6.185 15.767 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -9.521 -7.204 14.614 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -10.356 -7.948 15.998 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -9.515 -5.824 18.086 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -9.468 -7.585 18.339 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -7.998 -6.611 18.579 1.00 0.00 H new ATOM 1159 N LYS A 74 -6.619 -10.040 18.701 1.00 0.00 N ATOM 1160 CA LYS A 74 -6.881 -10.730 19.964 1.00 0.00 C ATOM 1161 C LYS A 74 -5.981 -10.212 21.081 1.00 0.00 C ATOM 1162 O LYS A 74 -6.463 -9.773 22.125 1.00 0.00 O ATOM 1163 CB LYS A 74 -6.633 -12.226 19.788 1.00 0.00 C ATOM 1164 CG LYS A 74 -7.018 -12.963 21.070 1.00 0.00 C ATOM 1165 CD LYS A 74 -6.902 -14.476 20.850 1.00 0.00 C ATOM 1166 CE LYS A 74 -5.427 -14.897 20.813 1.00 0.00 C ATOM 1167 NZ LYS A 74 -5.333 -16.381 20.936 1.00 0.00 N ATOM 0 H LYS A 74 -6.371 -10.651 17.923 1.00 0.00 H new ATOM 0 HA LYS A 74 -7.919 -10.542 20.238 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -7.216 -12.605 18.949 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -5.584 -12.406 19.554 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -6.368 -12.654 21.888 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -8.037 -12.705 21.358 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -7.419 -15.007 21.649 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -7.390 -14.753 19.915 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -4.967 -14.568 19.881 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -4.880 -14.418 21.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -4.334 -16.669 20.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -5.758 -16.682 21.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -5.842 -16.828 20.146 1.00 0.00 H new ATOM 1181 N GLU A 75 -4.674 -10.269 20.859 1.00 0.00 N ATOM 1182 CA GLU A 75 -3.720 -9.806 21.859 1.00 0.00 C ATOM 1183 C GLU A 75 -3.834 -8.298 22.053 1.00 0.00 C ATOM 1184 O GLU A 75 -3.473 -7.770 23.104 1.00 0.00 O ATOM 1185 CB GLU A 75 -2.292 -10.180 21.442 1.00 0.00 C ATOM 1186 CG GLU A 75 -1.974 -9.588 20.066 1.00 0.00 C ATOM 1187 CD GLU A 75 -1.702 -8.089 20.176 1.00 0.00 C ATOM 1188 OE1 GLU A 75 -1.356 -7.645 21.258 1.00 0.00 O ATOM 1189 OE2 GLU A 75 -1.839 -7.407 19.173 1.00 0.00 O ATOM 0 H GLU A 75 -4.252 -10.628 20.002 1.00 0.00 H new ATOM 0 HA GLU A 75 -3.950 -10.294 22.806 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -1.580 -9.809 22.180 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -2.185 -11.264 21.414 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -1.106 -10.090 19.640 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -2.809 -9.763 19.387 1.00 0.00 H new ATOM 1196 N GLN A 76 -4.326 -7.610 21.026 1.00 0.00 N ATOM 1197 CA GLN A 76 -4.466 -6.159 21.093 1.00 0.00 C ATOM 1198 C GLN A 76 -5.452 -5.764 22.187 1.00 0.00 C ATOM 1199 O GLN A 76 -5.146 -4.926 23.035 1.00 0.00 O ATOM 1200 CB GLN A 76 -4.954 -5.618 19.743 1.00 0.00 C ATOM 1201 CG GLN A 76 -4.950 -4.088 19.755 1.00 0.00 C ATOM 1202 CD GLN A 76 -3.519 -3.575 19.857 1.00 0.00 C ATOM 1203 OE1 GLN A 76 -2.623 -4.104 19.202 1.00 0.00 O ATOM 1204 NE2 GLN A 76 -3.250 -2.575 20.649 1.00 0.00 N ATOM 0 H GLN A 76 -4.631 -8.028 20.147 1.00 0.00 H new ATOM 0 HA GLN A 76 -3.492 -5.730 21.327 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -4.312 -5.984 18.942 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -5.960 -5.985 19.538 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -5.418 -3.707 18.847 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -5.538 -3.721 20.596 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -3.996 -2.139 21.191 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -2.294 -2.229 20.727 1.00 0.00 H new ATOM 1213 N VAL A 77 -6.633 -6.369 22.166 1.00 0.00 N ATOM 1214 CA VAL A 77 -7.648 -6.065 23.166 1.00 0.00 C ATOM 1215 C VAL A 77 -7.139 -6.403 24.564 1.00 0.00 C ATOM 1216 O VAL A 77 -7.284 -5.612 25.497 1.00 0.00 O ATOM 1217 CB VAL A 77 -8.921 -6.859 22.871 1.00 0.00 C ATOM 1218 CG1 VAL A 77 -9.940 -6.632 23.990 1.00 0.00 C ATOM 1219 CG2 VAL A 77 -9.514 -6.389 21.541 1.00 0.00 C ATOM 0 H VAL A 77 -6.910 -7.066 21.475 1.00 0.00 H new ATOM 0 HA VAL A 77 -7.870 -4.999 23.124 1.00 0.00 H new ATOM 0 HB VAL A 77 -8.681 -7.920 22.811 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -10.846 -7.199 23.777 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -9.519 -6.964 24.939 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -10.182 -5.571 24.052 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -10.422 -6.953 21.328 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -9.753 -5.327 21.604 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -8.790 -6.551 20.742 1.00 0.00 H new ATOM 1229 N THR A 78 -6.545 -7.584 24.703 1.00 0.00 N ATOM 1230 CA THR A 78 -6.021 -8.019 25.993 1.00 0.00 C ATOM 1231 C THR A 78 -4.921 -7.079 26.471 1.00 0.00 C ATOM 1232 O THR A 78 -4.762 -6.851 27.671 1.00 0.00 O ATOM 1233 CB THR A 78 -5.467 -9.440 25.881 1.00 0.00 C ATOM 1234 OG1 THR A 78 -4.402 -9.457 24.943 1.00 0.00 O ATOM 1235 CG2 THR A 78 -6.575 -10.385 25.415 1.00 0.00 C ATOM 0 H THR A 78 -6.415 -8.253 23.944 1.00 0.00 H new ATOM 0 HA THR A 78 -6.836 -8.003 26.717 1.00 0.00 H new ATOM 0 HB THR A 78 -5.100 -9.766 26.854 1.00 0.00 H new ATOM 0 HG1 THR A 78 -4.438 -8.647 24.393 1.00 0.00 H new ATOM 0 HG21 THR A 78 -6.180 -11.398 25.335 1.00 0.00 H new ATOM 0 HG22 THR A 78 -7.393 -10.370 26.136 1.00 0.00 H new ATOM 0 HG23 THR A 78 -6.943 -10.062 24.441 1.00 0.00 H new ATOM 1243 N SER A 79 -4.158 -6.537 25.527 1.00 0.00 N ATOM 1244 CA SER A 79 -3.073 -5.627 25.872 1.00 0.00 C ATOM 1245 C SER A 79 -3.620 -4.378 26.554 1.00 0.00 C ATOM 1246 O SER A 79 -3.073 -3.917 27.556 1.00 0.00 O ATOM 1247 CB SER A 79 -2.307 -5.228 24.611 1.00 0.00 C ATOM 1248 OG SER A 79 -1.230 -4.371 24.967 1.00 0.00 O ATOM 0 H SER A 79 -4.269 -6.710 24.528 1.00 0.00 H new ATOM 0 HA SER A 79 -2.399 -6.137 26.560 1.00 0.00 H new ATOM 0 HB2 SER A 79 -1.928 -6.116 24.105 1.00 0.00 H new ATOM 0 HB3 SER A 79 -2.973 -4.723 23.912 1.00 0.00 H new ATOM 0 HG SER A 79 -0.736 -4.114 24.161 1.00 0.00 H new ATOM 1254 N ALA A 80 -4.702 -3.837 26.009 1.00 0.00 N ATOM 1255 CA ALA A 80 -5.312 -2.643 26.579 1.00 0.00 C ATOM 1256 C ALA A 80 -5.755 -2.898 28.014 1.00 0.00 C ATOM 1257 O ALA A 80 -5.484 -2.099 28.910 1.00 0.00 O ATOM 1258 CB ALA A 80 -6.513 -2.213 25.735 1.00 0.00 C ATOM 0 H ALA A 80 -5.172 -4.202 25.180 1.00 0.00 H new ATOM 0 HA ALA A 80 -4.569 -1.845 26.580 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -6.962 -1.320 26.169 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -6.184 -1.996 24.719 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -7.250 -3.016 25.715 1.00 0.00 H new ATOM 1264 N LEU A 81 -6.440 -4.013 28.223 1.00 0.00 N ATOM 1265 CA LEU A 81 -6.919 -4.360 29.552 1.00 0.00 C ATOM 1266 C LEU A 81 -5.750 -4.655 30.495 1.00 0.00 C ATOM 1267 O LEU A 81 -5.826 -4.385 31.695 1.00 0.00 O ATOM 1268 CB LEU A 81 -7.837 -5.574 29.443 1.00 0.00 C ATOM 1269 CG LEU A 81 -9.102 -5.204 28.660 1.00 0.00 C ATOM 1270 CD1 LEU A 81 -9.854 -6.493 28.315 1.00 0.00 C ATOM 1271 CD2 LEU A 81 -10.013 -4.282 29.497 1.00 0.00 C ATOM 0 H LEU A 81 -6.675 -4.688 27.495 1.00 0.00 H new ATOM 0 HA LEU A 81 -7.472 -3.517 29.967 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -7.316 -6.391 28.944 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -8.106 -5.928 30.438 1.00 0.00 H new ATOM 0 HG LEU A 81 -8.821 -4.671 27.751 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -10.758 -6.249 27.757 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -9.216 -7.135 27.708 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -10.124 -7.014 29.234 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -10.905 -4.032 28.922 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -10.304 -4.794 30.414 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -9.474 -3.368 29.747 1.00 0.00 H new ATOM 1283 N GLY A 82 -4.659 -5.187 29.947 1.00 0.00 N ATOM 1284 CA GLY A 82 -3.476 -5.484 30.753 1.00 0.00 C ATOM 1285 C GLY A 82 -3.839 -6.228 32.037 1.00 0.00 C ATOM 1286 O GLY A 82 -3.482 -5.806 33.134 1.00 0.00 O ATOM 0 H GLY A 82 -4.569 -5.419 28.958 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -2.779 -6.085 30.169 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -2.964 -4.555 31.003 1.00 0.00 H new ATOM 1290 N LEU A 83 -4.541 -7.339 31.870 1.00 0.00 N ATOM 1291 CA LEU A 83 -4.965 -8.181 32.987 1.00 0.00 C ATOM 1292 C LEU A 83 -3.781 -8.962 33.547 1.00 0.00 C ATOM 1293 O LEU A 83 -3.907 -9.657 34.555 1.00 0.00 O ATOM 1294 CB LEU A 83 -6.061 -9.176 32.534 1.00 0.00 C ATOM 1295 CG LEU A 83 -5.863 -9.634 31.066 1.00 0.00 C ATOM 1296 CD1 LEU A 83 -6.282 -8.522 30.074 1.00 0.00 C ATOM 1297 CD2 LEU A 83 -4.401 -10.081 30.824 1.00 0.00 C ATOM 0 H LEU A 83 -4.835 -7.685 30.957 1.00 0.00 H new ATOM 0 HA LEU A 83 -5.368 -7.530 33.763 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -6.052 -10.047 33.189 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -7.040 -8.708 32.638 1.00 0.00 H new ATOM 0 HG LEU A 83 -6.510 -10.493 30.889 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -6.133 -8.871 29.052 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -7.334 -8.278 30.224 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -5.675 -7.633 30.246 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -4.284 -10.398 29.788 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -3.728 -9.248 31.026 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -4.160 -10.912 31.487 1.00 0.00 H new ATOM 1309 N GLU A 84 -2.643 -8.851 32.878 1.00 0.00 N ATOM 1310 CA GLU A 84 -1.442 -9.559 33.305 1.00 0.00 C ATOM 1311 C GLU A 84 -1.690 -11.065 33.324 1.00 0.00 C ATOM 1312 O GLU A 84 -2.450 -11.567 34.152 1.00 0.00 O ATOM 1313 CB GLU A 84 -1.023 -9.086 34.701 1.00 0.00 C ATOM 1314 CG GLU A 84 0.305 -9.737 35.082 1.00 0.00 C ATOM 1315 CD GLU A 84 0.755 -9.221 36.443 1.00 0.00 C ATOM 1316 OE1 GLU A 84 0.201 -8.229 36.888 1.00 0.00 O ATOM 1317 OE2 GLU A 84 1.644 -9.823 37.020 1.00 0.00 O ATOM 0 H GLU A 84 -2.524 -8.281 32.041 1.00 0.00 H new ATOM 0 HA GLU A 84 -0.642 -9.343 32.597 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -0.925 -8.000 34.715 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -1.790 -9.346 35.430 1.00 0.00 H new ATOM 0 HG2 GLU A 84 0.195 -10.821 35.111 1.00 0.00 H new ATOM 0 HG3 GLU A 84 1.061 -9.513 34.329 1.00 0.00 H new ATOM 1324 N HIS A 85 -1.044 -11.782 32.407 1.00 0.00 N ATOM 1325 CA HIS A 85 -1.203 -13.230 32.333 1.00 0.00 C ATOM 1326 C HIS A 85 -0.407 -13.909 33.442 1.00 0.00 C ATOM 1327 O HIS A 85 0.697 -13.480 33.778 1.00 0.00 O ATOM 1328 CB HIS A 85 -0.724 -13.745 30.974 1.00 0.00 C ATOM 1329 CG HIS A 85 -1.651 -13.258 29.897 1.00 0.00 C ATOM 1330 ND1 HIS A 85 -1.463 -12.045 29.251 1.00 0.00 N ATOM 1331 CD2 HIS A 85 -2.781 -13.806 29.342 1.00 0.00 C ATOM 1332 CE1 HIS A 85 -2.455 -11.905 28.354 1.00 0.00 C ATOM 1333 NE2 HIS A 85 -3.288 -12.950 28.368 1.00 0.00 N ATOM 0 H HIS A 85 -0.411 -11.387 31.711 1.00 0.00 H new ATOM 0 HA HIS A 85 -2.260 -13.466 32.456 1.00 0.00 H new ATOM 0 HB2 HIS A 85 0.291 -13.398 30.779 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -0.693 -14.835 30.977 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -3.211 -14.757 29.619 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -2.565 -11.052 27.701 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -4.117 -13.090 27.790 1.00 0.00 H new ATOM 1341 N HIS A 86 -0.974 -14.974 34.009 1.00 0.00 N ATOM 1342 CA HIS A 86 -0.312 -15.713 35.087 1.00 0.00 C ATOM 1343 C HIS A 86 0.340 -16.978 34.542 1.00 0.00 C ATOM 1344 O HIS A 86 -0.279 -17.736 33.794 1.00 0.00 O ATOM 1345 CB HIS A 86 -1.333 -16.089 36.162 1.00 0.00 C ATOM 1346 CG HIS A 86 -1.858 -14.839 36.813 1.00 0.00 C ATOM 1347 ND1 HIS A 86 -1.182 -14.202 37.843 1.00 0.00 N ATOM 1348 CD2 HIS A 86 -2.989 -14.093 36.590 1.00 0.00 C ATOM 1349 CE1 HIS A 86 -1.906 -13.124 38.198 1.00 0.00 C ATOM 1350 NE2 HIS A 86 -3.017 -13.011 37.466 1.00 0.00 N ATOM 0 H HIS A 86 -1.886 -15.344 33.742 1.00 0.00 H new ATOM 0 HA HIS A 86 0.458 -15.076 35.522 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -2.153 -16.653 35.718 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -0.870 -16.734 36.909 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -3.742 -14.312 35.848 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -1.623 -12.435 38.980 1.00 0.00 H new ATOM 0 HE2 HIS A 86 -3.733 -12.287 37.534 1.00 0.00 H new ATOM 1358 N HIS A 87 1.595 -17.197 34.920 1.00 0.00 N ATOM 1359 CA HIS A 87 2.326 -18.372 34.462 1.00 0.00 C ATOM 1360 C HIS A 87 1.502 -19.635 34.683 1.00 0.00 C ATOM 1361 O HIS A 87 0.882 -20.153 33.754 1.00 0.00 O ATOM 1362 CB HIS A 87 3.654 -18.485 35.212 1.00 0.00 C ATOM 1363 CG HIS A 87 4.448 -19.635 34.655 1.00 0.00 C ATOM 1364 ND1 HIS A 87 4.798 -20.734 35.424 1.00 0.00 N ATOM 1365 CD2 HIS A 87 4.967 -19.872 33.406 1.00 0.00 C ATOM 1366 CE1 HIS A 87 5.496 -21.574 34.638 1.00 0.00 C ATOM 1367 NE2 HIS A 87 5.629 -21.096 33.398 1.00 0.00 N ATOM 0 H HIS A 87 2.124 -16.581 35.538 1.00 0.00 H new ATOM 0 HA HIS A 87 2.521 -18.264 33.395 1.00 0.00 H new ATOM 0 HB2 HIS A 87 4.219 -17.558 35.115 1.00 0.00 H new ATOM 0 HB3 HIS A 87 3.471 -18.637 36.276 1.00 0.00 H new ATOM 0 HD2 HIS A 87 4.875 -19.209 32.558 1.00 0.00 H new ATOM 0 HE1 HIS A 87 5.899 -22.519 34.969 1.00 0.00 H new ATOM 0 HE2 HIS A 87 6.112 -21.534 32.614 1.00 0.00 H new ATOM 1375 N HIS A 88 1.499 -20.128 35.918 1.00 0.00 N ATOM 1376 CA HIS A 88 0.746 -21.335 36.250 1.00 0.00 C ATOM 1377 C HIS A 88 0.895 -22.383 35.152 1.00 0.00 C ATOM 1378 O HIS A 88 0.105 -22.424 34.209 1.00 0.00 O ATOM 1379 CB HIS A 88 -0.733 -20.994 36.433 1.00 0.00 C ATOM 1380 CG HIS A 88 -1.495 -22.245 36.772 1.00 0.00 C ATOM 1381 ND1 HIS A 88 -1.264 -22.957 37.938 1.00 0.00 N ATOM 1382 CD2 HIS A 88 -2.486 -22.924 36.108 1.00 0.00 C ATOM 1383 CE1 HIS A 88 -2.099 -24.012 37.942 1.00 0.00 C ATOM 1384 NE2 HIS A 88 -2.866 -24.039 36.848 1.00 0.00 N ATOM 0 H HIS A 88 2.005 -19.715 36.701 1.00 0.00 H new ATOM 0 HA HIS A 88 1.144 -21.742 37.180 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -0.852 -20.256 37.226 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -1.131 -20.549 35.521 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -2.907 -22.636 35.156 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -2.144 -24.747 38.732 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -3.577 -24.729 36.607 1.00 0.00 H new ATOM 1392 N HIS A 89 1.916 -23.229 35.280 1.00 0.00 N ATOM 1393 CA HIS A 89 2.166 -24.277 34.293 1.00 0.00 C ATOM 1394 C HIS A 89 2.731 -25.523 34.966 1.00 0.00 C ATOM 1395 O HIS A 89 3.575 -25.433 35.857 1.00 0.00 O ATOM 1396 CB HIS A 89 3.154 -23.772 33.240 1.00 0.00 C ATOM 1397 CG HIS A 89 3.196 -24.739 32.089 1.00 0.00 C ATOM 1398 ND1 HIS A 89 3.944 -25.904 32.130 1.00 0.00 N ATOM 1399 CD2 HIS A 89 2.586 -24.729 30.858 1.00 0.00 C ATOM 1400 CE1 HIS A 89 3.767 -26.543 30.959 1.00 0.00 C ATOM 1401 NE2 HIS A 89 2.948 -25.868 30.148 1.00 0.00 N ATOM 0 H HIS A 89 2.580 -23.209 36.054 1.00 0.00 H new ATOM 0 HA HIS A 89 1.221 -24.534 33.814 1.00 0.00 H new ATOM 0 HB2 HIS A 89 2.855 -22.784 32.889 1.00 0.00 H new ATOM 0 HB3 HIS A 89 4.147 -23.667 33.678 1.00 0.00 H new ATOM 0 HD2 HIS A 89 1.926 -23.954 30.497 1.00 0.00 H new ATOM 0 HE1 HIS A 89 4.230 -27.485 30.706 1.00 0.00 H new ATOM 0 HE2 HIS A 89 2.652 -26.132 29.208 1.00 0.00 H new ATOM 1409 N HIS A 90 2.257 -26.686 34.531 1.00 0.00 N ATOM 1410 CA HIS A 90 2.719 -27.947 35.098 1.00 0.00 C ATOM 1411 C HIS A 90 2.492 -27.972 36.605 1.00 0.00 C ATOM 1412 O HIS A 90 3.463 -27.845 37.332 1.00 0.00 O ATOM 1413 CB HIS A 90 4.207 -28.138 34.798 1.00 0.00 C ATOM 1414 CG HIS A 90 4.621 -29.529 35.191 1.00 0.00 C ATOM 1415 ND1 HIS A 90 5.106 -29.827 36.453 1.00 0.00 N ATOM 1416 CD2 HIS A 90 4.630 -30.714 34.497 1.00 0.00 C ATOM 1417 CE1 HIS A 90 5.383 -31.144 36.482 1.00 0.00 C ATOM 1418 NE2 HIS A 90 5.110 -31.732 35.315 1.00 0.00 N ATOM 1419 OXT HIS A 90 1.351 -28.117 37.011 1.00 0.00 O ATOM 0 H HIS A 90 1.559 -26.781 33.794 1.00 0.00 H new ATOM 0 HA HIS A 90 2.150 -28.759 34.645 1.00 0.00 H new ATOM 0 HB2 HIS A 90 4.399 -27.975 33.737 1.00 0.00 H new ATOM 0 HB3 HIS A 90 4.797 -27.403 35.345 1.00 0.00 H new ATOM 0 HD1 HIS A 90 5.231 -29.168 37.222 1.00 0.00 H new ATOM 0 HD2 HIS A 90 4.313 -30.837 33.472 1.00 0.00 H new ATOM 0 HE1 HIS A 90 5.778 -31.662 37.344 1.00 0.00 H new TER 1427 HIS A 90