USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 624 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 60 ASN :FLIP amide:sc= -0.0106 X(o=-0.53,f=-0.27) USER MOD Set 1.2: A 62 GLN : amide:sc= -0.262 X(o=-0.27,f=-0.53) USER MOD Set 2.1: A 22 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 25 ASN : amide:sc= -0.864 K(o=-0.86,f=-6.1!) USER MOD Set 3.1: A 7 THR OG1 : rot 129:sc= 0.893 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 0.943 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -172:sc= 1.22 (180deg=1.13) USER MOD Single : A 2 GLN : amide:sc= 0.301 X(o=0.3,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 171:sc=-0.00734 (180deg=-0.0997) USER MOD Single : A 11 LYS NZ :NH3+ -143:sc= 0 (180deg=-0.431) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -88:sc= 0.47 USER MOD Single : A 20 SER OG : rot -36:sc= 0.00323 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -177:sc= 1.27 (180deg=1.15) USER MOD Single : A 31 GLN : amide:sc= 0.228 K(o=0.23,f=-2!) USER MOD Single : A 33 LYS NZ :NH3+ -109:sc= 0.86 (180deg=-2.54!) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 41 ASN : amide:sc=-0.00236 X(o=-0.0024,f=-0.46) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0.424 K(o=0.42,f=-0.3) USER MOD Single : A 55 THR OG1 : rot -68:sc= 1.38 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 130:sc= 0.29 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -99:sc= 1.4 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.0202 X(o=-0.02,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.587 -2.163 4.125 1.00 0.00 N ATOM 2 CA MET A 1 -13.247 -2.247 2.696 1.00 0.00 C ATOM 3 C MET A 1 -12.033 -3.163 2.522 1.00 0.00 C ATOM 4 O MET A 1 -11.446 -3.590 3.518 1.00 0.00 O ATOM 5 CB MET A 1 -13.020 -0.827 2.158 1.00 0.00 C ATOM 6 CG MET A 1 -14.032 -0.475 1.076 1.00 0.00 C ATOM 7 SD MET A 1 -14.220 1.303 0.788 1.00 0.00 S ATOM 8 CE MET A 1 -12.637 1.738 0.028 1.00 0.00 C ATOM 0 H1 MET A 1 -14.487 -1.655 4.238 1.00 0.00 H new ATOM 0 H2 MET A 1 -13.679 -3.122 4.517 1.00 0.00 H new ATOM 0 H3 MET A 1 -12.835 -1.653 4.631 1.00 0.00 H new ATOM 0 HA MET A 1 -14.059 -2.686 2.116 1.00 0.00 H new ATOM 0 HB2 MET A 1 -13.095 -0.110 2.976 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.011 -0.746 1.755 1.00 0.00 H new ATOM 0 HG2 MET A 1 -13.732 -0.953 0.144 1.00 0.00 H new ATOM 0 HG3 MET A 1 -15.001 -0.892 1.351 1.00 0.00 H new ATOM 0 HE1 MET A 1 -12.623 2.804 -0.198 1.00 0.00 H new ATOM 0 HE2 MET A 1 -11.826 1.503 0.717 1.00 0.00 H new ATOM 0 HE3 MET A 1 -12.507 1.170 -0.893 1.00 0.00 H new ATOM 18 N GLN A 2 -11.656 -3.540 1.294 1.00 0.00 N ATOM 19 CA GLN A 2 -10.495 -4.400 1.068 1.00 0.00 C ATOM 20 C GLN A 2 -9.822 -4.095 -0.263 1.00 0.00 C ATOM 21 O GLN A 2 -10.456 -3.561 -1.175 1.00 0.00 O ATOM 22 CB GLN A 2 -10.888 -5.892 1.119 1.00 0.00 C ATOM 23 CG GLN A 2 -11.687 -6.381 -0.105 1.00 0.00 C ATOM 24 CD GLN A 2 -11.984 -7.877 -0.042 1.00 0.00 C ATOM 25 OE1 GLN A 2 -12.766 -8.348 0.780 1.00 0.00 O ATOM 26 NE2 GLN A 2 -11.403 -8.671 -0.924 1.00 0.00 N ATOM 0 H GLN A 2 -12.142 -3.260 0.442 1.00 0.00 H new ATOM 0 HA GLN A 2 -9.787 -4.192 1.870 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -9.982 -6.491 1.209 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -11.478 -6.069 2.018 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -12.625 -5.829 -0.168 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -11.126 -6.162 -1.014 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -10.753 -8.284 -1.608 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -11.604 -9.671 -0.921 1.00 0.00 H new ATOM 35 N ILE A 3 -8.545 -4.441 -0.382 1.00 0.00 N ATOM 36 CA ILE A 3 -7.710 -4.295 -1.571 1.00 0.00 C ATOM 37 C ILE A 3 -6.714 -5.458 -1.539 1.00 0.00 C ATOM 38 O ILE A 3 -6.544 -6.113 -0.503 1.00 0.00 O ATOM 39 CB ILE A 3 -6.996 -2.919 -1.702 1.00 0.00 C ATOM 40 CG1 ILE A 3 -5.720 -2.733 -0.853 1.00 0.00 C ATOM 41 CG2 ILE A 3 -7.948 -1.725 -1.522 1.00 0.00 C ATOM 42 CD1 ILE A 3 -5.918 -2.878 0.651 1.00 0.00 C ATOM 0 H ILE A 3 -8.033 -4.856 0.396 1.00 0.00 H new ATOM 0 HA ILE A 3 -8.344 -4.325 -2.457 1.00 0.00 H new ATOM 0 HB ILE A 3 -6.650 -2.936 -2.735 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -4.977 -3.461 -1.178 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -5.308 -1.745 -1.056 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -7.389 -0.795 -1.625 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -8.729 -1.765 -2.281 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -8.402 -1.768 -0.532 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -4.965 -2.730 1.159 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -6.634 -2.132 0.997 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -6.297 -3.875 0.874 1.00 0.00 H new ATOM 54 N PHE A 4 -6.035 -5.694 -2.652 1.00 0.00 N ATOM 55 CA PHE A 4 -5.047 -6.747 -2.802 1.00 0.00 C ATOM 56 C PHE A 4 -3.677 -6.089 -2.892 1.00 0.00 C ATOM 57 O PHE A 4 -3.565 -4.927 -3.285 1.00 0.00 O ATOM 58 CB PHE A 4 -5.396 -7.607 -4.023 1.00 0.00 C ATOM 59 CG PHE A 4 -6.851 -8.031 -4.018 1.00 0.00 C ATOM 60 CD1 PHE A 4 -7.318 -8.923 -3.038 1.00 0.00 C ATOM 61 CD2 PHE A 4 -7.765 -7.422 -4.895 1.00 0.00 C ATOM 62 CE1 PHE A 4 -8.692 -9.199 -2.927 1.00 0.00 C ATOM 63 CE2 PHE A 4 -9.137 -7.684 -4.769 1.00 0.00 C ATOM 64 CZ PHE A 4 -9.607 -8.578 -3.795 1.00 0.00 C ATOM 0 H PHE A 4 -6.162 -5.141 -3.499 1.00 0.00 H new ATOM 0 HA PHE A 4 -5.038 -7.425 -1.948 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -5.184 -7.047 -4.934 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -4.760 -8.492 -4.038 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -6.618 -9.399 -2.367 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -7.411 -6.753 -5.665 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -9.045 -9.889 -2.174 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -9.838 -7.193 -5.428 1.00 0.00 H new ATOM 0 HZ PHE A 4 -10.663 -8.787 -3.713 1.00 0.00 H new ATOM 74 N VAL A 5 -2.621 -6.812 -2.543 1.00 0.00 N ATOM 75 CA VAL A 5 -1.262 -6.306 -2.568 1.00 0.00 C ATOM 76 C VAL A 5 -0.351 -7.366 -3.172 1.00 0.00 C ATOM 77 O VAL A 5 -0.204 -8.451 -2.612 1.00 0.00 O ATOM 78 CB VAL A 5 -0.817 -5.863 -1.158 1.00 0.00 C ATOM 79 CG1 VAL A 5 0.616 -5.312 -1.187 1.00 0.00 C ATOM 80 CG2 VAL A 5 -1.730 -4.762 -0.593 1.00 0.00 C ATOM 0 H VAL A 5 -2.689 -7.781 -2.230 1.00 0.00 H new ATOM 0 HA VAL A 5 -1.203 -5.416 -3.195 1.00 0.00 H new ATOM 0 HB VAL A 5 -0.875 -6.747 -0.524 1.00 0.00 H new ATOM 0 HG11 VAL A 5 0.909 -5.006 -0.183 1.00 0.00 H new ATOM 0 HG12 VAL A 5 1.296 -6.086 -1.543 1.00 0.00 H new ATOM 0 HG13 VAL A 5 0.662 -4.453 -1.856 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -1.384 -4.477 0.401 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -1.702 -3.893 -1.250 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -2.752 -5.135 -0.528 1.00 0.00 H new ATOM 90 N LYS A 6 0.177 -7.081 -4.362 1.00 0.00 N ATOM 91 CA LYS A 6 1.106 -7.931 -5.085 1.00 0.00 C ATOM 92 C LYS A 6 2.454 -7.631 -4.429 1.00 0.00 C ATOM 93 O LYS A 6 2.901 -6.478 -4.423 1.00 0.00 O ATOM 94 CB LYS A 6 1.113 -7.591 -6.583 1.00 0.00 C ATOM 95 CG LYS A 6 1.978 -8.557 -7.413 1.00 0.00 C ATOM 96 CD LYS A 6 1.294 -9.875 -7.803 1.00 0.00 C ATOM 97 CE LYS A 6 0.216 -9.698 -8.881 1.00 0.00 C ATOM 98 NZ LYS A 6 0.758 -9.249 -10.185 1.00 0.00 N ATOM 0 H LYS A 6 -0.042 -6.219 -4.862 1.00 0.00 H new ATOM 0 HA LYS A 6 0.846 -8.988 -5.034 1.00 0.00 H new ATOM 0 HB2 LYS A 6 0.090 -7.612 -6.960 1.00 0.00 H new ATOM 0 HB3 LYS A 6 1.482 -6.574 -6.718 1.00 0.00 H new ATOM 0 HG2 LYS A 6 2.293 -8.047 -8.323 1.00 0.00 H new ATOM 0 HG3 LYS A 6 2.881 -8.788 -6.848 1.00 0.00 H new ATOM 0 HD2 LYS A 6 2.047 -10.576 -8.163 1.00 0.00 H new ATOM 0 HD3 LYS A 6 0.843 -10.320 -6.916 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -0.308 -10.644 -9.020 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -0.520 -8.974 -8.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 0.010 -9.295 -10.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 1.098 -8.270 -10.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 1.547 -9.867 -10.464 1.00 0.00 H new ATOM 112 N THR A 7 3.051 -8.626 -3.795 1.00 0.00 N ATOM 113 CA THR A 7 4.330 -8.489 -3.111 1.00 0.00 C ATOM 114 C THR A 7 5.499 -8.548 -4.100 1.00 0.00 C ATOM 115 O THR A 7 5.319 -8.911 -5.268 1.00 0.00 O ATOM 116 CB THR A 7 4.456 -9.605 -2.057 1.00 0.00 C ATOM 117 OG1 THR A 7 4.587 -10.838 -2.724 1.00 0.00 O ATOM 118 CG2 THR A 7 3.254 -9.662 -1.101 1.00 0.00 C ATOM 0 H THR A 7 2.657 -9.565 -3.739 1.00 0.00 H new ATOM 0 HA THR A 7 4.368 -7.516 -2.622 1.00 0.00 H new ATOM 0 HB THR A 7 5.333 -9.391 -1.447 1.00 0.00 H new ATOM 0 HG1 THR A 7 5.360 -11.323 -2.367 1.00 0.00 H new ATOM 0 HG21 THR A 7 3.400 -10.467 -0.381 1.00 0.00 H new ATOM 0 HG22 THR A 7 3.165 -8.714 -0.571 1.00 0.00 H new ATOM 0 HG23 THR A 7 2.344 -9.846 -1.672 1.00 0.00 H new ATOM 126 N LEU A 8 6.714 -8.207 -3.649 1.00 0.00 N ATOM 127 CA LEU A 8 7.899 -8.276 -4.507 1.00 0.00 C ATOM 128 C LEU A 8 8.211 -9.743 -4.805 1.00 0.00 C ATOM 129 O LEU A 8 8.797 -10.039 -5.841 1.00 0.00 O ATOM 130 CB LEU A 8 9.132 -7.626 -3.850 1.00 0.00 C ATOM 131 CG LEU A 8 9.245 -6.104 -4.052 1.00 0.00 C ATOM 132 CD1 LEU A 8 10.465 -5.586 -3.280 1.00 0.00 C ATOM 133 CD2 LEU A 8 9.430 -5.720 -5.527 1.00 0.00 C ATOM 0 H LEU A 8 6.899 -7.883 -2.700 1.00 0.00 H new ATOM 0 HA LEU A 8 7.680 -7.727 -5.423 1.00 0.00 H new ATOM 0 HB2 LEU A 8 9.109 -7.836 -2.781 1.00 0.00 H new ATOM 0 HB3 LEU A 8 10.030 -8.099 -4.248 1.00 0.00 H new ATOM 0 HG LEU A 8 8.316 -5.662 -3.692 1.00 0.00 H new ATOM 0 HD11 LEU A 8 10.552 -4.508 -3.418 1.00 0.00 H new ATOM 0 HD12 LEU A 8 10.345 -5.808 -2.219 1.00 0.00 H new ATOM 0 HD13 LEU A 8 11.366 -6.074 -3.653 1.00 0.00 H new ATOM 0 HD21 LEU A 8 9.504 -4.636 -5.614 1.00 0.00 H new ATOM 0 HD22 LEU A 8 10.342 -6.178 -5.911 1.00 0.00 H new ATOM 0 HD23 LEU A 8 8.576 -6.073 -6.105 1.00 0.00 H new ATOM 145 N THR A 9 7.791 -10.666 -3.936 1.00 0.00 N ATOM 146 CA THR A 9 8.006 -12.097 -4.091 1.00 0.00 C ATOM 147 C THR A 9 7.071 -12.726 -5.140 1.00 0.00 C ATOM 148 O THR A 9 7.061 -13.949 -5.304 1.00 0.00 O ATOM 149 CB THR A 9 7.923 -12.763 -2.708 1.00 0.00 C ATOM 150 OG1 THR A 9 6.664 -12.562 -2.086 1.00 0.00 O ATOM 151 CG2 THR A 9 8.980 -12.181 -1.763 1.00 0.00 C ATOM 0 H THR A 9 7.280 -10.427 -3.086 1.00 0.00 H new ATOM 0 HA THR A 9 9.004 -12.272 -4.492 1.00 0.00 H new ATOM 0 HB THR A 9 8.083 -13.827 -2.881 1.00 0.00 H new ATOM 0 HG1 THR A 9 6.657 -13.004 -1.211 1.00 0.00 H new ATOM 0 HG21 THR A 9 8.904 -12.666 -0.790 1.00 0.00 H new ATOM 0 HG22 THR A 9 9.973 -12.353 -2.178 1.00 0.00 H new ATOM 0 HG23 THR A 9 8.815 -11.110 -1.648 1.00 0.00 H new ATOM 159 N GLY A 10 6.268 -11.912 -5.838 1.00 0.00 N ATOM 160 CA GLY A 10 5.337 -12.333 -6.877 1.00 0.00 C ATOM 161 C GLY A 10 4.135 -13.045 -6.285 1.00 0.00 C ATOM 162 O GLY A 10 3.556 -13.929 -6.923 1.00 0.00 O ATOM 0 H GLY A 10 6.254 -10.904 -5.683 1.00 0.00 H new ATOM 0 HA2 GLY A 10 5.004 -11.464 -7.444 1.00 0.00 H new ATOM 0 HA3 GLY A 10 5.846 -12.995 -7.578 1.00 0.00 H new ATOM 166 N LYS A 11 3.801 -12.724 -5.038 1.00 0.00 N ATOM 167 CA LYS A 11 2.700 -13.286 -4.276 1.00 0.00 C ATOM 168 C LYS A 11 1.601 -12.239 -4.170 1.00 0.00 C ATOM 169 O LYS A 11 1.835 -11.077 -4.496 1.00 0.00 O ATOM 170 CB LYS A 11 3.257 -13.585 -2.878 1.00 0.00 C ATOM 171 CG LYS A 11 2.570 -14.730 -2.135 1.00 0.00 C ATOM 172 CD LYS A 11 3.108 -14.841 -0.702 1.00 0.00 C ATOM 173 CE LYS A 11 2.719 -13.642 0.175 1.00 0.00 C ATOM 174 NZ LYS A 11 3.250 -13.804 1.546 1.00 0.00 N ATOM 0 H LYS A 11 4.322 -12.026 -4.507 1.00 0.00 H new ATOM 0 HA LYS A 11 2.293 -14.184 -4.741 1.00 0.00 H new ATOM 0 HB2 LYS A 11 4.318 -13.817 -2.969 1.00 0.00 H new ATOM 0 HB3 LYS A 11 3.179 -12.682 -2.273 1.00 0.00 H new ATOM 0 HG2 LYS A 11 1.493 -14.563 -2.113 1.00 0.00 H new ATOM 0 HG3 LYS A 11 2.736 -15.667 -2.666 1.00 0.00 H new ATOM 0 HD2 LYS A 11 2.729 -15.756 -0.247 1.00 0.00 H new ATOM 0 HD3 LYS A 11 4.194 -14.926 -0.732 1.00 0.00 H new ATOM 0 HE2 LYS A 11 3.106 -12.723 -0.264 1.00 0.00 H new ATOM 0 HE3 LYS A 11 1.634 -13.546 0.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 2.561 -13.434 2.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 3.419 -14.812 1.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 4.144 -13.280 1.636 1.00 0.00 H new ATOM 188 N THR A 12 0.429 -12.610 -3.667 1.00 0.00 N ATOM 189 CA THR A 12 -0.664 -11.670 -3.484 1.00 0.00 C ATOM 190 C THR A 12 -1.310 -11.949 -2.137 1.00 0.00 C ATOM 191 O THR A 12 -1.380 -13.098 -1.696 1.00 0.00 O ATOM 192 CB THR A 12 -1.680 -11.711 -4.643 1.00 0.00 C ATOM 193 OG1 THR A 12 -1.040 -11.763 -5.904 1.00 0.00 O ATOM 194 CG2 THR A 12 -2.583 -10.468 -4.648 1.00 0.00 C ATOM 0 H THR A 12 0.213 -13.564 -3.377 1.00 0.00 H new ATOM 0 HA THR A 12 -0.270 -10.654 -3.494 1.00 0.00 H new ATOM 0 HB THR A 12 -2.271 -12.613 -4.482 1.00 0.00 H new ATOM 0 HG1 THR A 12 -1.716 -11.789 -6.613 1.00 0.00 H new ATOM 0 HG21 THR A 12 -3.286 -10.532 -5.479 1.00 0.00 H new ATOM 0 HG22 THR A 12 -3.134 -10.415 -3.709 1.00 0.00 H new ATOM 0 HG23 THR A 12 -1.970 -9.574 -4.760 1.00 0.00 H new ATOM 202 N ILE A 13 -1.762 -10.890 -1.470 1.00 0.00 N ATOM 203 CA ILE A 13 -2.422 -10.920 -0.169 1.00 0.00 C ATOM 204 C ILE A 13 -3.581 -9.913 -0.217 1.00 0.00 C ATOM 205 O ILE A 13 -3.533 -8.986 -1.028 1.00 0.00 O ATOM 206 CB ILE A 13 -1.399 -10.534 0.934 1.00 0.00 C ATOM 207 CG1 ILE A 13 -0.071 -11.327 0.845 1.00 0.00 C ATOM 208 CG2 ILE A 13 -2.030 -10.710 2.326 1.00 0.00 C ATOM 209 CD1 ILE A 13 1.000 -10.831 1.820 1.00 0.00 C ATOM 0 H ILE A 13 -1.674 -9.944 -1.840 1.00 0.00 H new ATOM 0 HA ILE A 13 -2.805 -11.914 0.060 1.00 0.00 H new ATOM 0 HB ILE A 13 -1.146 -9.487 0.770 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -0.271 -12.380 1.042 1.00 0.00 H new ATOM 0 HG13 ILE A 13 0.316 -11.261 -0.172 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -1.304 -10.437 3.092 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -2.907 -10.068 2.412 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -2.327 -11.750 2.462 1.00 0.00 H new ATOM 0 HD11 ILE A 13 1.903 -11.430 1.704 1.00 0.00 H new ATOM 0 HD12 ILE A 13 1.228 -9.786 1.609 1.00 0.00 H new ATOM 0 HD13 ILE A 13 0.632 -10.923 2.842 1.00 0.00 H new ATOM 221 N THR A 14 -4.600 -10.077 0.626 1.00 0.00 N ATOM 222 CA THR A 14 -5.750 -9.192 0.738 1.00 0.00 C ATOM 223 C THR A 14 -5.593 -8.474 2.079 1.00 0.00 C ATOM 224 O THR A 14 -5.147 -9.082 3.057 1.00 0.00 O ATOM 225 CB THR A 14 -7.078 -9.980 0.730 1.00 0.00 C ATOM 226 OG1 THR A 14 -7.177 -10.895 -0.345 1.00 0.00 O ATOM 227 CG2 THR A 14 -8.279 -9.030 0.651 1.00 0.00 C ATOM 0 H THR A 14 -4.645 -10.863 1.274 1.00 0.00 H new ATOM 0 HA THR A 14 -5.785 -8.503 -0.106 1.00 0.00 H new ATOM 0 HB THR A 14 -7.086 -10.541 1.665 1.00 0.00 H new ATOM 0 HG1 THR A 14 -7.562 -10.443 -1.125 1.00 0.00 H new ATOM 0 HG21 THR A 14 -9.202 -9.610 0.647 1.00 0.00 H new ATOM 0 HG22 THR A 14 -8.273 -8.364 1.513 1.00 0.00 H new ATOM 0 HG23 THR A 14 -8.217 -8.440 -0.264 1.00 0.00 H new ATOM 235 N LEU A 15 -5.929 -7.186 2.149 1.00 0.00 N ATOM 236 CA LEU A 15 -5.849 -6.408 3.381 1.00 0.00 C ATOM 237 C LEU A 15 -7.196 -5.739 3.594 1.00 0.00 C ATOM 238 O LEU A 15 -7.864 -5.391 2.617 1.00 0.00 O ATOM 239 CB LEU A 15 -4.775 -5.310 3.337 1.00 0.00 C ATOM 240 CG LEU A 15 -3.355 -5.715 2.921 1.00 0.00 C ATOM 241 CD1 LEU A 15 -2.506 -4.442 2.880 1.00 0.00 C ATOM 242 CD2 LEU A 15 -2.696 -6.681 3.903 1.00 0.00 C ATOM 0 H LEU A 15 -6.266 -6.652 1.348 1.00 0.00 H new ATOM 0 HA LEU A 15 -5.582 -7.092 4.187 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -5.117 -4.535 2.651 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -4.718 -4.857 4.327 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.421 -6.218 1.956 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.487 -4.694 2.587 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.930 -3.745 2.157 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.496 -3.979 3.867 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.694 -6.929 3.552 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.631 -6.213 4.885 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.292 -7.591 3.973 1.00 0.00 H new ATOM 254 N GLU A 16 -7.596 -5.598 4.855 1.00 0.00 N ATOM 255 CA GLU A 16 -8.849 -4.941 5.219 1.00 0.00 C ATOM 256 C GLU A 16 -8.443 -3.498 5.476 1.00 0.00 C ATOM 257 O GLU A 16 -7.501 -3.262 6.235 1.00 0.00 O ATOM 258 CB GLU A 16 -9.528 -5.572 6.446 1.00 0.00 C ATOM 259 CG GLU A 16 -10.877 -4.874 6.716 1.00 0.00 C ATOM 260 CD GLU A 16 -11.722 -5.550 7.798 1.00 0.00 C ATOM 261 OE1 GLU A 16 -12.268 -6.651 7.540 1.00 0.00 O ATOM 262 OE2 GLU A 16 -11.906 -4.954 8.889 1.00 0.00 O ATOM 0 H GLU A 16 -7.060 -5.936 5.654 1.00 0.00 H new ATOM 0 HA GLU A 16 -9.597 -5.038 4.433 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -9.687 -6.637 6.277 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -8.880 -5.481 7.318 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -10.688 -3.841 7.009 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -11.450 -4.842 5.789 1.00 0.00 H new ATOM 269 N VAL A 17 -9.098 -2.545 4.827 1.00 0.00 N ATOM 270 CA VAL A 17 -8.829 -1.117 4.936 1.00 0.00 C ATOM 271 C VAL A 17 -10.148 -0.355 4.947 1.00 0.00 C ATOM 272 O VAL A 17 -11.192 -0.945 4.678 1.00 0.00 O ATOM 273 CB VAL A 17 -7.964 -0.676 3.739 1.00 0.00 C ATOM 274 CG1 VAL A 17 -6.582 -1.346 3.740 1.00 0.00 C ATOM 275 CG2 VAL A 17 -8.667 -0.934 2.385 1.00 0.00 C ATOM 0 H VAL A 17 -9.862 -2.754 4.184 1.00 0.00 H new ATOM 0 HA VAL A 17 -8.293 -0.905 5.861 1.00 0.00 H new ATOM 0 HB VAL A 17 -7.824 0.399 3.857 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -6.011 -1.003 2.877 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -6.051 -1.083 4.655 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -6.702 -2.428 3.689 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -8.020 -0.608 1.571 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -8.874 -1.999 2.279 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -9.604 -0.377 2.349 1.00 0.00 H new ATOM 285 N GLU A 18 -10.129 0.955 5.170 1.00 0.00 N ATOM 286 CA GLU A 18 -11.327 1.780 5.189 1.00 0.00 C ATOM 287 C GLU A 18 -11.096 3.078 4.410 1.00 0.00 C ATOM 288 O GLU A 18 -9.947 3.462 4.209 1.00 0.00 O ATOM 289 CB GLU A 18 -11.714 2.099 6.634 1.00 0.00 C ATOM 290 CG GLU A 18 -11.927 0.872 7.552 1.00 0.00 C ATOM 291 CD GLU A 18 -13.057 -0.101 7.168 1.00 0.00 C ATOM 292 OE1 GLU A 18 -13.310 -1.040 7.968 1.00 0.00 O ATOM 293 OE2 GLU A 18 -13.723 0.050 6.119 1.00 0.00 O ATOM 0 H GLU A 18 -9.271 1.478 5.344 1.00 0.00 H new ATOM 0 HA GLU A 18 -12.139 1.230 4.713 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -10.937 2.727 7.070 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -12.631 2.688 6.625 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -10.994 0.310 7.588 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -12.120 1.234 8.562 1.00 0.00 H new ATOM 300 N PRO A 19 -12.151 3.802 3.998 1.00 0.00 N ATOM 301 CA PRO A 19 -12.014 5.050 3.246 1.00 0.00 C ATOM 302 C PRO A 19 -11.157 6.114 3.953 1.00 0.00 C ATOM 303 O PRO A 19 -10.406 6.843 3.295 1.00 0.00 O ATOM 304 CB PRO A 19 -13.441 5.550 3.016 1.00 0.00 C ATOM 305 CG PRO A 19 -14.296 4.291 3.159 1.00 0.00 C ATOM 306 CD PRO A 19 -13.552 3.445 4.171 1.00 0.00 C ATOM 0 HA PRO A 19 -11.482 4.862 2.313 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -13.721 6.309 3.746 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -13.553 6.000 2.030 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -15.302 4.531 3.504 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -14.401 3.771 2.207 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -13.891 3.653 5.186 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -13.714 2.382 3.993 1.00 0.00 H new ATOM 314 N SER A 20 -11.270 6.228 5.278 1.00 0.00 N ATOM 315 CA SER A 20 -10.512 7.189 6.067 1.00 0.00 C ATOM 316 C SER A 20 -9.107 6.676 6.408 1.00 0.00 C ATOM 317 O SER A 20 -8.289 7.472 6.872 1.00 0.00 O ATOM 318 CB SER A 20 -11.326 7.571 7.312 1.00 0.00 C ATOM 319 OG SER A 20 -10.929 8.835 7.798 1.00 0.00 O ATOM 0 H SER A 20 -11.898 5.648 5.835 1.00 0.00 H new ATOM 0 HA SER A 20 -10.349 8.089 5.474 1.00 0.00 H new ATOM 0 HB2 SER A 20 -12.388 7.587 7.068 1.00 0.00 H new ATOM 0 HB3 SER A 20 -11.189 6.818 8.088 1.00 0.00 H new ATOM 0 HG SER A 20 -9.962 8.941 7.683 1.00 0.00 H new ATOM 325 N ASP A 21 -8.791 5.394 6.175 1.00 0.00 N ATOM 326 CA ASP A 21 -7.456 4.874 6.483 1.00 0.00 C ATOM 327 C ASP A 21 -6.405 5.643 5.686 1.00 0.00 C ATOM 328 O ASP A 21 -6.568 5.883 4.482 1.00 0.00 O ATOM 329 CB ASP A 21 -7.297 3.375 6.165 1.00 0.00 C ATOM 330 CG ASP A 21 -7.881 2.415 7.202 1.00 0.00 C ATOM 331 OD1 ASP A 21 -7.682 1.193 7.020 1.00 0.00 O ATOM 332 OD2 ASP A 21 -8.565 2.860 8.155 1.00 0.00 O ATOM 0 H ASP A 21 -9.434 4.708 5.779 1.00 0.00 H new ATOM 0 HA ASP A 21 -7.319 5.005 7.556 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -7.769 3.174 5.203 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -6.235 3.157 6.051 1.00 0.00 H new ATOM 337 N THR A 22 -5.322 6.036 6.351 1.00 0.00 N ATOM 338 CA THR A 22 -4.214 6.754 5.740 1.00 0.00 C ATOM 339 C THR A 22 -3.273 5.741 5.095 1.00 0.00 C ATOM 340 O THR A 22 -3.392 4.532 5.333 1.00 0.00 O ATOM 341 CB THR A 22 -3.486 7.612 6.784 1.00 0.00 C ATOM 342 OG1 THR A 22 -3.005 6.844 7.873 1.00 0.00 O ATOM 343 CG2 THR A 22 -4.403 8.704 7.325 1.00 0.00 C ATOM 0 H THR A 22 -5.190 5.860 7.347 1.00 0.00 H new ATOM 0 HA THR A 22 -4.587 7.432 4.973 1.00 0.00 H new ATOM 0 HB THR A 22 -2.634 8.058 6.271 1.00 0.00 H new ATOM 0 HG1 THR A 22 -2.548 7.431 8.511 1.00 0.00 H new ATOM 0 HG21 THR A 22 -3.865 9.299 8.063 1.00 0.00 H new ATOM 0 HG22 THR A 22 -4.725 9.347 6.506 1.00 0.00 H new ATOM 0 HG23 THR A 22 -5.275 8.248 7.793 1.00 0.00 H new ATOM 351 N ILE A 23 -2.312 6.198 4.288 1.00 0.00 N ATOM 352 CA ILE A 23 -1.364 5.269 3.673 1.00 0.00 C ATOM 353 C ILE A 23 -0.541 4.599 4.776 1.00 0.00 C ATOM 354 O ILE A 23 -0.061 3.495 4.572 1.00 0.00 O ATOM 355 CB ILE A 23 -0.472 5.969 2.624 1.00 0.00 C ATOM 356 CG1 ILE A 23 -1.292 6.616 1.491 1.00 0.00 C ATOM 357 CG2 ILE A 23 0.570 5.019 2.003 1.00 0.00 C ATOM 358 CD1 ILE A 23 -2.332 5.687 0.868 1.00 0.00 C ATOM 0 H ILE A 23 -2.172 7.180 4.050 1.00 0.00 H new ATOM 0 HA ILE A 23 -1.915 4.502 3.128 1.00 0.00 H new ATOM 0 HB ILE A 23 0.049 6.751 3.176 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -1.797 7.500 1.881 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -0.610 6.956 0.711 1.00 0.00 H new ATOM 0 HG21 ILE A 23 1.169 5.563 1.273 1.00 0.00 H new ATOM 0 HG22 ILE A 23 1.219 4.629 2.787 1.00 0.00 H new ATOM 0 HG23 ILE A 23 0.060 4.192 1.509 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -2.867 6.216 0.079 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -1.834 4.814 0.446 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -3.039 5.367 1.634 1.00 0.00 H new ATOM 370 N GLU A 24 -0.381 5.229 5.940 1.00 0.00 N ATOM 371 CA GLU A 24 0.373 4.670 7.053 1.00 0.00 C ATOM 372 C GLU A 24 -0.308 3.415 7.568 1.00 0.00 C ATOM 373 O GLU A 24 0.371 2.445 7.878 1.00 0.00 O ATOM 374 CB GLU A 24 0.544 5.711 8.168 1.00 0.00 C ATOM 375 CG GLU A 24 1.206 6.939 7.551 1.00 0.00 C ATOM 376 CD GLU A 24 1.765 7.931 8.554 1.00 0.00 C ATOM 377 OE1 GLU A 24 1.092 8.954 8.815 1.00 0.00 O ATOM 378 OE2 GLU A 24 2.936 7.790 8.960 1.00 0.00 O ATOM 0 H GLU A 24 -0.776 6.149 6.135 1.00 0.00 H new ATOM 0 HA GLU A 24 1.368 4.396 6.702 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -0.422 5.972 8.600 1.00 0.00 H new ATOM 0 HB3 GLU A 24 1.156 5.310 8.976 1.00 0.00 H new ATOM 0 HG2 GLU A 24 2.014 6.609 6.898 1.00 0.00 H new ATOM 0 HG3 GLU A 24 0.477 7.451 6.923 1.00 0.00 H new ATOM 385 N ASN A 25 -1.644 3.402 7.611 1.00 0.00 N ATOM 386 CA ASN A 25 -2.390 2.240 8.096 1.00 0.00 C ATOM 387 C ASN A 25 -2.150 1.091 7.135 1.00 0.00 C ATOM 388 O ASN A 25 -1.922 -0.043 7.534 1.00 0.00 O ATOM 389 CB ASN A 25 -3.912 2.470 8.187 1.00 0.00 C ATOM 390 CG ASN A 25 -4.330 3.765 8.851 1.00 0.00 C ATOM 391 OD1 ASN A 25 -5.414 4.268 8.629 1.00 0.00 O ATOM 392 ND2 ASN A 25 -3.467 4.438 9.570 1.00 0.00 N ATOM 0 H ASN A 25 -2.229 4.183 7.316 1.00 0.00 H new ATOM 0 HA ASN A 25 -2.034 2.033 9.105 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -4.328 2.446 7.180 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -4.357 1.639 8.735 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -3.712 5.361 9.929 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -2.550 4.039 9.771 1.00 0.00 H new ATOM 399 N VAL A 26 -2.193 1.388 5.839 1.00 0.00 N ATOM 400 CA VAL A 26 -1.998 0.411 4.785 1.00 0.00 C ATOM 401 C VAL A 26 -0.555 -0.097 4.817 1.00 0.00 C ATOM 402 O VAL A 26 -0.336 -1.307 4.776 1.00 0.00 O ATOM 403 CB VAL A 26 -2.462 1.047 3.465 1.00 0.00 C ATOM 404 CG1 VAL A 26 -2.321 0.069 2.295 1.00 0.00 C ATOM 405 CG2 VAL A 26 -3.935 1.480 3.631 1.00 0.00 C ATOM 0 H VAL A 26 -2.367 2.331 5.492 1.00 0.00 H new ATOM 0 HA VAL A 26 -2.601 -0.488 4.917 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.836 1.910 3.239 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.658 0.550 1.376 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -1.276 -0.224 2.190 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -2.929 -0.816 2.485 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -4.287 1.935 2.705 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -4.547 0.608 3.862 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -4.012 2.203 4.443 1.00 0.00 H new ATOM 415 N LYS A 27 0.424 0.802 4.940 1.00 0.00 N ATOM 416 CA LYS A 27 1.842 0.473 5.007 1.00 0.00 C ATOM 417 C LYS A 27 2.089 -0.374 6.263 1.00 0.00 C ATOM 418 O LYS A 27 2.904 -1.295 6.228 1.00 0.00 O ATOM 419 CB LYS A 27 2.668 1.771 4.931 1.00 0.00 C ATOM 420 CG LYS A 27 4.147 1.507 4.600 1.00 0.00 C ATOM 421 CD LYS A 27 4.910 2.742 4.091 1.00 0.00 C ATOM 422 CE LYS A 27 5.012 3.851 5.146 1.00 0.00 C ATOM 423 NZ LYS A 27 5.890 4.973 4.744 1.00 0.00 N ATOM 0 H LYS A 27 0.243 1.804 4.997 1.00 0.00 H new ATOM 0 HA LYS A 27 2.165 -0.132 4.160 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.240 2.427 4.172 1.00 0.00 H new ATOM 0 HB3 LYS A 27 2.600 2.298 5.883 1.00 0.00 H new ATOM 0 HG2 LYS A 27 4.645 1.128 5.492 1.00 0.00 H new ATOM 0 HG3 LYS A 27 4.204 0.722 3.846 1.00 0.00 H new ATOM 0 HD2 LYS A 27 5.913 2.444 3.785 1.00 0.00 H new ATOM 0 HD3 LYS A 27 4.410 3.134 3.205 1.00 0.00 H new ATOM 0 HE2 LYS A 27 4.014 4.238 5.352 1.00 0.00 H new ATOM 0 HE3 LYS A 27 5.386 3.423 6.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 5.913 5.685 5.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 6.852 4.617 4.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 5.523 5.407 3.873 1.00 0.00 H new ATOM 437 N ALA A 28 1.366 -0.116 7.354 1.00 0.00 N ATOM 438 CA ALA A 28 1.468 -0.855 8.600 1.00 0.00 C ATOM 439 C ALA A 28 0.868 -2.254 8.397 1.00 0.00 C ATOM 440 O ALA A 28 1.505 -3.254 8.734 1.00 0.00 O ATOM 441 CB ALA A 28 0.761 -0.082 9.724 1.00 0.00 C ATOM 0 H ALA A 28 0.676 0.635 7.390 1.00 0.00 H new ATOM 0 HA ALA A 28 2.512 -0.969 8.893 1.00 0.00 H new ATOM 0 HB1 ALA A 28 0.841 -0.641 10.656 1.00 0.00 H new ATOM 0 HB2 ALA A 28 1.230 0.894 9.845 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -0.291 0.050 9.469 1.00 0.00 H new ATOM 447 N LYS A 29 -0.328 -2.343 7.802 1.00 0.00 N ATOM 448 CA LYS A 29 -1.047 -3.588 7.523 1.00 0.00 C ATOM 449 C LYS A 29 -0.232 -4.521 6.630 1.00 0.00 C ATOM 450 O LYS A 29 -0.386 -5.736 6.770 1.00 0.00 O ATOM 451 CB LYS A 29 -2.412 -3.282 6.881 1.00 0.00 C ATOM 452 CG LYS A 29 -3.455 -2.759 7.886 1.00 0.00 C ATOM 453 CD LYS A 29 -4.578 -2.010 7.150 1.00 0.00 C ATOM 454 CE LYS A 29 -5.654 -1.463 8.097 1.00 0.00 C ATOM 455 NZ LYS A 29 -6.493 -2.534 8.671 1.00 0.00 N ATOM 0 H LYS A 29 -0.839 -1.517 7.491 1.00 0.00 H new ATOM 0 HA LYS A 29 -1.208 -4.100 8.472 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -2.277 -2.543 6.091 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -2.795 -4.187 6.409 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -3.874 -3.591 8.452 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -2.976 -2.094 8.605 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -4.146 -1.185 6.584 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -5.044 -2.682 6.429 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -5.176 -0.907 8.904 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -6.287 -0.759 7.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -7.237 -2.113 9.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -6.931 -3.081 7.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -5.903 -3.164 9.252 1.00 0.00 H new ATOM 469 N ILE A 30 0.598 -4.009 5.712 1.00 0.00 N ATOM 470 CA ILE A 30 1.412 -4.879 4.865 1.00 0.00 C ATOM 471 C ILE A 30 2.684 -5.271 5.624 1.00 0.00 C ATOM 472 O ILE A 30 3.088 -6.431 5.555 1.00 0.00 O ATOM 473 CB ILE A 30 1.648 -4.290 3.460 1.00 0.00 C ATOM 474 CG1 ILE A 30 2.383 -5.277 2.533 1.00 0.00 C ATOM 475 CG2 ILE A 30 2.401 -2.956 3.467 1.00 0.00 C ATOM 476 CD1 ILE A 30 1.689 -6.633 2.368 1.00 0.00 C ATOM 0 H ILE A 30 0.720 -3.011 5.541 1.00 0.00 H new ATOM 0 HA ILE A 30 0.868 -5.800 4.656 1.00 0.00 H new ATOM 0 HB ILE A 30 0.646 -4.103 3.074 1.00 0.00 H new ATOM 0 HG12 ILE A 30 2.494 -4.818 1.550 1.00 0.00 H new ATOM 0 HG13 ILE A 30 3.387 -5.442 2.923 1.00 0.00 H new ATOM 0 HG21 ILE A 30 2.529 -2.605 2.443 1.00 0.00 H new ATOM 0 HG22 ILE A 30 1.832 -2.220 4.035 1.00 0.00 H new ATOM 0 HG23 ILE A 30 3.379 -3.093 3.928 1.00 0.00 H new ATOM 0 HD11 ILE A 30 2.276 -7.263 1.700 1.00 0.00 H new ATOM 0 HD12 ILE A 30 1.602 -7.118 3.340 1.00 0.00 H new ATOM 0 HD13 ILE A 30 0.695 -6.484 1.946 1.00 0.00 H new ATOM 488 N GLN A 31 3.305 -4.362 6.391 1.00 0.00 N ATOM 489 CA GLN A 31 4.505 -4.692 7.167 1.00 0.00 C ATOM 490 C GLN A 31 4.160 -5.789 8.181 1.00 0.00 C ATOM 491 O GLN A 31 4.985 -6.645 8.492 1.00 0.00 O ATOM 492 CB GLN A 31 5.045 -3.453 7.878 1.00 0.00 C ATOM 493 CG GLN A 31 5.880 -2.572 6.944 1.00 0.00 C ATOM 494 CD GLN A 31 6.225 -1.270 7.646 1.00 0.00 C ATOM 495 OE1 GLN A 31 7.209 -1.169 8.362 1.00 0.00 O ATOM 496 NE2 GLN A 31 5.362 -0.279 7.544 1.00 0.00 N ATOM 0 H GLN A 31 2.995 -3.395 6.489 1.00 0.00 H new ATOM 0 HA GLN A 31 5.282 -5.053 6.493 1.00 0.00 H new ATOM 0 HB2 GLN A 31 4.213 -2.872 8.276 1.00 0.00 H new ATOM 0 HB3 GLN A 31 5.655 -3.760 8.728 1.00 0.00 H new ATOM 0 HG2 GLN A 31 6.792 -3.094 6.654 1.00 0.00 H new ATOM 0 HG3 GLN A 31 5.325 -2.367 6.028 1.00 0.00 H new ATOM 0 HE21 GLN A 31 4.544 -0.375 6.943 1.00 0.00 H new ATOM 0 HE22 GLN A 31 5.512 0.584 8.066 1.00 0.00 H new ATOM 505 N ASP A 32 2.910 -5.843 8.640 1.00 0.00 N ATOM 506 CA ASP A 32 2.404 -6.847 9.575 1.00 0.00 C ATOM 507 C ASP A 32 2.360 -8.252 8.927 1.00 0.00 C ATOM 508 O ASP A 32 2.011 -9.237 9.574 1.00 0.00 O ATOM 509 CB ASP A 32 1.025 -6.382 10.055 1.00 0.00 C ATOM 510 CG ASP A 32 0.405 -7.300 11.101 1.00 0.00 C ATOM 511 OD1 ASP A 32 -0.582 -7.984 10.754 1.00 0.00 O ATOM 512 OD2 ASP A 32 0.811 -7.245 12.287 1.00 0.00 O ATOM 0 H ASP A 32 2.199 -5.167 8.362 1.00 0.00 H new ATOM 0 HA ASP A 32 3.073 -6.942 10.430 1.00 0.00 H new ATOM 0 HB2 ASP A 32 1.113 -5.378 10.470 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.354 -6.315 9.198 1.00 0.00 H new ATOM 517 N LYS A 33 2.741 -8.357 7.645 1.00 0.00 N ATOM 518 CA LYS A 33 2.783 -9.562 6.816 1.00 0.00 C ATOM 519 C LYS A 33 4.082 -9.650 6.001 1.00 0.00 C ATOM 520 O LYS A 33 4.206 -10.554 5.164 1.00 0.00 O ATOM 521 CB LYS A 33 1.572 -9.562 5.866 1.00 0.00 C ATOM 522 CG LYS A 33 0.251 -9.292 6.591 1.00 0.00 C ATOM 523 CD LYS A 33 -0.945 -9.419 5.656 1.00 0.00 C ATOM 524 CE LYS A 33 -2.258 -9.121 6.380 1.00 0.00 C ATOM 525 NZ LYS A 33 -2.311 -7.769 6.975 1.00 0.00 N ATOM 0 H LYS A 33 3.051 -7.536 7.125 1.00 0.00 H new ATOM 0 HA LYS A 33 2.749 -10.430 7.474 1.00 0.00 H new ATOM 0 HB2 LYS A 33 1.720 -8.805 5.096 1.00 0.00 H new ATOM 0 HB3 LYS A 33 1.513 -10.525 5.359 1.00 0.00 H new ATOM 0 HG2 LYS A 33 0.141 -9.993 7.419 1.00 0.00 H new ATOM 0 HG3 LYS A 33 0.271 -8.291 7.021 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -0.827 -8.732 4.818 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -0.978 -10.426 5.241 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -3.084 -9.233 5.678 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -2.406 -9.861 7.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -2.259 -7.843 8.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -1.509 -7.205 6.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -3.202 -7.306 6.706 1.00 0.00 H new ATOM 539 N GLU A 34 5.031 -8.724 6.187 1.00 0.00 N ATOM 540 CA GLU A 34 6.315 -8.699 5.475 1.00 0.00 C ATOM 541 C GLU A 34 7.511 -8.496 6.426 1.00 0.00 C ATOM 542 O GLU A 34 8.641 -8.863 6.095 1.00 0.00 O ATOM 543 CB GLU A 34 6.247 -7.651 4.344 1.00 0.00 C ATOM 544 CG GLU A 34 7.170 -7.938 3.146 1.00 0.00 C ATOM 545 CD GLU A 34 6.803 -9.216 2.394 1.00 0.00 C ATOM 546 OE1 GLU A 34 7.270 -10.303 2.806 1.00 0.00 O ATOM 547 OE2 GLU A 34 6.011 -9.167 1.426 1.00 0.00 O ATOM 0 H GLU A 34 4.926 -7.956 6.850 1.00 0.00 H new ATOM 0 HA GLU A 34 6.490 -9.675 5.021 1.00 0.00 H new ATOM 0 HB2 GLU A 34 5.219 -7.588 3.987 1.00 0.00 H new ATOM 0 HB3 GLU A 34 6.502 -6.675 4.756 1.00 0.00 H new ATOM 0 HG2 GLU A 34 7.132 -7.095 2.456 1.00 0.00 H new ATOM 0 HG3 GLU A 34 8.199 -8.015 3.499 1.00 0.00 H new ATOM 554 N GLY A 35 7.281 -7.935 7.615 1.00 0.00 N ATOM 555 CA GLY A 35 8.224 -7.665 8.696 1.00 0.00 C ATOM 556 C GLY A 35 9.264 -6.582 8.439 1.00 0.00 C ATOM 557 O GLY A 35 9.691 -5.926 9.387 1.00 0.00 O ATOM 0 H GLY A 35 6.340 -7.631 7.866 1.00 0.00 H new ATOM 0 HA2 GLY A 35 7.655 -7.387 9.583 1.00 0.00 H new ATOM 0 HA3 GLY A 35 8.748 -8.592 8.931 1.00 0.00 H new ATOM 561 N ILE A 36 9.640 -6.369 7.182 1.00 0.00 N ATOM 562 CA ILE A 36 10.635 -5.387 6.788 1.00 0.00 C ATOM 563 C ILE A 36 10.288 -3.957 7.237 1.00 0.00 C ATOM 564 O ILE A 36 9.112 -3.641 7.426 1.00 0.00 O ATOM 565 CB ILE A 36 10.887 -5.486 5.268 1.00 0.00 C ATOM 566 CG1 ILE A 36 9.638 -5.561 4.360 1.00 0.00 C ATOM 567 CG2 ILE A 36 11.702 -6.760 4.995 1.00 0.00 C ATOM 568 CD1 ILE A 36 8.547 -4.502 4.543 1.00 0.00 C ATOM 0 H ILE A 36 9.251 -6.887 6.394 1.00 0.00 H new ATOM 0 HA ILE A 36 11.562 -5.622 7.311 1.00 0.00 H new ATOM 0 HB ILE A 36 11.392 -4.554 5.016 1.00 0.00 H new ATOM 0 HG12 ILE A 36 9.976 -5.516 3.325 1.00 0.00 H new ATOM 0 HG13 ILE A 36 9.180 -6.540 4.504 1.00 0.00 H new ATOM 0 HG21 ILE A 36 11.891 -6.849 3.925 1.00 0.00 H new ATOM 0 HG22 ILE A 36 12.651 -6.706 5.528 1.00 0.00 H new ATOM 0 HG23 ILE A 36 11.143 -7.630 5.338 1.00 0.00 H new ATOM 0 HD11 ILE A 36 7.738 -4.687 3.836 1.00 0.00 H new ATOM 0 HD12 ILE A 36 8.159 -4.552 5.560 1.00 0.00 H new ATOM 0 HD13 ILE A 36 8.967 -3.512 4.363 1.00 0.00 H new ATOM 580 N PRO A 37 11.288 -3.069 7.380 1.00 0.00 N ATOM 581 CA PRO A 37 11.051 -1.692 7.791 1.00 0.00 C ATOM 582 C PRO A 37 10.267 -0.899 6.729 1.00 0.00 C ATOM 583 O PRO A 37 10.282 -1.275 5.555 1.00 0.00 O ATOM 584 CB PRO A 37 12.447 -1.068 7.959 1.00 0.00 C ATOM 585 CG PRO A 37 13.385 -2.264 8.077 1.00 0.00 C ATOM 586 CD PRO A 37 12.713 -3.307 7.200 1.00 0.00 C ATOM 0 HA PRO A 37 10.457 -1.666 8.704 1.00 0.00 H new ATOM 0 HB2 PRO A 37 12.707 -0.441 7.106 1.00 0.00 H new ATOM 0 HB3 PRO A 37 12.496 -0.436 8.846 1.00 0.00 H new ATOM 0 HG2 PRO A 37 14.389 -2.027 7.726 1.00 0.00 H new ATOM 0 HG3 PRO A 37 13.480 -2.603 9.108 1.00 0.00 H new ATOM 0 HD2 PRO A 37 13.005 -3.196 6.156 1.00 0.00 H new ATOM 0 HD3 PRO A 37 12.988 -4.317 7.502 1.00 0.00 H new ATOM 594 N PRO A 38 9.704 0.275 7.078 1.00 0.00 N ATOM 595 CA PRO A 38 8.966 1.135 6.153 1.00 0.00 C ATOM 596 C PRO A 38 9.814 1.656 4.973 1.00 0.00 C ATOM 597 O PRO A 38 9.256 2.178 4.000 1.00 0.00 O ATOM 598 CB PRO A 38 8.508 2.330 6.996 1.00 0.00 C ATOM 599 CG PRO A 38 8.518 1.835 8.436 1.00 0.00 C ATOM 600 CD PRO A 38 9.619 0.783 8.439 1.00 0.00 C ATOM 0 HA PRO A 38 8.153 0.565 5.703 1.00 0.00 H new ATOM 0 HB2 PRO A 38 9.177 3.181 6.868 1.00 0.00 H new ATOM 0 HB3 PRO A 38 7.512 2.661 6.701 1.00 0.00 H new ATOM 0 HG2 PRO A 38 8.731 2.642 9.137 1.00 0.00 H new ATOM 0 HG3 PRO A 38 7.556 1.410 8.722 1.00 0.00 H new ATOM 0 HD2 PRO A 38 10.569 1.216 8.752 1.00 0.00 H new ATOM 0 HD3 PRO A 38 9.388 -0.019 9.140 1.00 0.00 H new ATOM 608 N ASP A 39 11.144 1.680 5.115 1.00 0.00 N ATOM 609 CA ASP A 39 12.105 2.118 4.093 1.00 0.00 C ATOM 610 C ASP A 39 12.247 0.995 3.064 1.00 0.00 C ATOM 611 O ASP A 39 11.903 -0.141 3.371 1.00 0.00 O ATOM 612 CB ASP A 39 13.467 2.386 4.757 1.00 0.00 C ATOM 613 CG ASP A 39 14.548 2.806 3.754 1.00 0.00 C ATOM 614 OD1 ASP A 39 15.720 2.398 3.912 1.00 0.00 O ATOM 615 OD2 ASP A 39 14.226 3.575 2.819 1.00 0.00 O ATOM 0 H ASP A 39 11.599 1.384 5.978 1.00 0.00 H new ATOM 0 HA ASP A 39 11.760 3.032 3.609 1.00 0.00 H new ATOM 0 HB2 ASP A 39 13.352 3.168 5.508 1.00 0.00 H new ATOM 0 HB3 ASP A 39 13.794 1.487 5.280 1.00 0.00 H new ATOM 620 N GLN A 40 12.755 1.249 1.856 1.00 0.00 N ATOM 621 CA GLN A 40 12.925 0.227 0.818 1.00 0.00 C ATOM 622 C GLN A 40 11.595 -0.460 0.440 1.00 0.00 C ATOM 623 O GLN A 40 11.602 -1.559 -0.104 1.00 0.00 O ATOM 624 CB GLN A 40 14.041 -0.750 1.241 1.00 0.00 C ATOM 625 CG GLN A 40 14.649 -1.586 0.098 1.00 0.00 C ATOM 626 CD GLN A 40 15.768 -2.474 0.621 1.00 0.00 C ATOM 627 OE1 GLN A 40 15.611 -3.113 1.660 1.00 0.00 O ATOM 628 NE2 GLN A 40 16.915 -2.491 -0.030 1.00 0.00 N ATOM 0 H GLN A 40 13.063 2.178 1.567 1.00 0.00 H new ATOM 0 HA GLN A 40 13.244 0.706 -0.108 1.00 0.00 H new ATOM 0 HB2 GLN A 40 14.839 -0.181 1.717 1.00 0.00 H new ATOM 0 HB3 GLN A 40 13.641 -1.429 1.994 1.00 0.00 H new ATOM 0 HG2 GLN A 40 13.875 -2.200 -0.362 1.00 0.00 H new ATOM 0 HG3 GLN A 40 15.035 -0.925 -0.678 1.00 0.00 H new ATOM 0 HE21 GLN A 40 17.021 -1.953 -0.890 1.00 0.00 H new ATOM 0 HE22 GLN A 40 17.696 -3.042 0.326 1.00 0.00 H new ATOM 637 N ASN A 41 10.444 0.178 0.684 1.00 0.00 N ATOM 638 CA ASN A 41 9.117 -0.357 0.361 1.00 0.00 C ATOM 639 C ASN A 41 8.199 0.791 -0.053 1.00 0.00 C ATOM 640 O ASN A 41 8.506 1.947 0.253 1.00 0.00 O ATOM 641 CB ASN A 41 8.542 -1.133 1.559 1.00 0.00 C ATOM 642 CG ASN A 41 8.288 -2.570 1.139 1.00 0.00 C ATOM 643 OD1 ASN A 41 7.323 -2.852 0.434 1.00 0.00 O ATOM 644 ND2 ASN A 41 9.144 -3.504 1.497 1.00 0.00 N ATOM 0 H ASN A 41 10.409 1.099 1.120 1.00 0.00 H new ATOM 0 HA ASN A 41 9.197 -1.057 -0.471 1.00 0.00 H new ATOM 0 HB2 ASN A 41 9.239 -1.103 2.397 1.00 0.00 H new ATOM 0 HB3 ASN A 41 7.615 -0.670 1.898 1.00 0.00 H new ATOM 0 HD21 ASN A 41 9.007 -4.467 1.189 1.00 0.00 H new ATOM 0 HD22 ASN A 41 9.944 -3.265 2.083 1.00 0.00 H new ATOM 651 N ARG A 42 7.071 0.519 -0.715 1.00 0.00 N ATOM 652 CA ARG A 42 6.136 1.546 -1.173 1.00 0.00 C ATOM 653 C ARG A 42 4.777 0.927 -1.499 1.00 0.00 C ATOM 654 O ARG A 42 4.654 -0.296 -1.515 1.00 0.00 O ATOM 655 CB ARG A 42 6.728 2.180 -2.449 1.00 0.00 C ATOM 656 CG ARG A 42 6.475 3.683 -2.504 1.00 0.00 C ATOM 657 CD ARG A 42 7.093 4.259 -3.777 1.00 0.00 C ATOM 658 NE ARG A 42 6.817 5.697 -3.883 1.00 0.00 N ATOM 659 CZ ARG A 42 7.242 6.512 -4.850 1.00 0.00 C ATOM 660 NH1 ARG A 42 7.885 6.030 -5.906 1.00 0.00 N ATOM 661 NH2 ARG A 42 7.013 7.813 -4.767 1.00 0.00 N ATOM 0 H ARG A 42 6.780 -0.430 -0.949 1.00 0.00 H new ATOM 0 HA ARG A 42 5.992 2.293 -0.393 1.00 0.00 H new ATOM 0 HB2 ARG A 42 7.801 1.990 -2.485 1.00 0.00 H new ATOM 0 HB3 ARG A 42 6.291 1.705 -3.327 1.00 0.00 H new ATOM 0 HG2 ARG A 42 5.404 3.883 -2.485 1.00 0.00 H new ATOM 0 HG3 ARG A 42 6.905 4.167 -1.627 1.00 0.00 H new ATOM 0 HD2 ARG A 42 8.170 4.090 -3.773 1.00 0.00 H new ATOM 0 HD3 ARG A 42 6.692 3.741 -4.648 1.00 0.00 H new ATOM 0 HE ARG A 42 6.246 6.113 -3.147 1.00 0.00 H new ATOM 0 HH11 ARG A 42 8.058 5.028 -5.984 1.00 0.00 H new ATOM 0 HH12 ARG A 42 8.206 6.662 -6.640 1.00 0.00 H new ATOM 0 HH21 ARG A 42 6.512 8.192 -3.964 1.00 0.00 H new ATOM 0 HH22 ARG A 42 7.338 8.436 -5.506 1.00 0.00 H new ATOM 675 N LEU A 43 3.780 1.769 -1.793 1.00 0.00 N ATOM 676 CA LEU A 43 2.416 1.387 -2.150 1.00 0.00 C ATOM 677 C LEU A 43 2.116 2.050 -3.494 1.00 0.00 C ATOM 678 O LEU A 43 2.327 3.259 -3.624 1.00 0.00 O ATOM 679 CB LEU A 43 1.378 1.838 -1.098 1.00 0.00 C ATOM 680 CG LEU A 43 1.337 1.132 0.272 1.00 0.00 C ATOM 681 CD1 LEU A 43 1.331 -0.397 0.167 1.00 0.00 C ATOM 682 CD2 LEU A 43 2.453 1.603 1.207 1.00 0.00 C ATOM 0 H LEU A 43 3.912 2.780 -1.787 1.00 0.00 H new ATOM 0 HA LEU A 43 2.344 0.301 -2.200 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.538 2.900 -0.914 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.390 1.737 -1.548 1.00 0.00 H new ATOM 0 HG LEU A 43 0.384 1.426 0.711 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.302 -0.830 1.167 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.454 -0.720 -0.394 1.00 0.00 H new ATOM 0 HD13 LEU A 43 2.233 -0.730 -0.346 1.00 0.00 H new ATOM 0 HD21 LEU A 43 2.378 1.075 2.158 1.00 0.00 H new ATOM 0 HD22 LEU A 43 3.421 1.395 0.751 1.00 0.00 H new ATOM 0 HD23 LEU A 43 2.355 2.675 1.379 1.00 0.00 H new ATOM 694 N ILE A 44 1.614 1.302 -4.485 1.00 0.00 N ATOM 695 CA ILE A 44 1.305 1.833 -5.818 1.00 0.00 C ATOM 696 C ILE A 44 -0.041 1.283 -6.304 1.00 0.00 C ATOM 697 O ILE A 44 -0.150 0.070 -6.458 1.00 0.00 O ATOM 698 CB ILE A 44 2.408 1.431 -6.832 1.00 0.00 C ATOM 699 CG1 ILE A 44 3.869 1.687 -6.408 1.00 0.00 C ATOM 700 CG2 ILE A 44 2.134 2.069 -8.204 1.00 0.00 C ATOM 701 CD1 ILE A 44 4.353 3.140 -6.362 1.00 0.00 C ATOM 0 H ILE A 44 1.410 0.308 -4.384 1.00 0.00 H new ATOM 0 HA ILE A 44 1.257 2.920 -5.749 1.00 0.00 H new ATOM 0 HB ILE A 44 2.333 0.345 -6.879 1.00 0.00 H new ATOM 0 HG12 ILE A 44 4.011 1.255 -5.418 1.00 0.00 H new ATOM 0 HG13 ILE A 44 4.518 1.139 -7.091 1.00 0.00 H new ATOM 0 HG21 ILE A 44 2.917 1.777 -8.904 1.00 0.00 H new ATOM 0 HG22 ILE A 44 1.168 1.728 -8.577 1.00 0.00 H new ATOM 0 HG23 ILE A 44 2.122 3.154 -8.105 1.00 0.00 H new ATOM 0 HD11 ILE A 44 5.397 3.166 -6.048 1.00 0.00 H new ATOM 0 HD12 ILE A 44 4.261 3.586 -7.352 1.00 0.00 H new ATOM 0 HD13 ILE A 44 3.747 3.703 -5.653 1.00 0.00 H new ATOM 713 N PHE A 45 -1.055 2.116 -6.555 1.00 0.00 N ATOM 714 CA PHE A 45 -2.384 1.705 -7.044 1.00 0.00 C ATOM 715 C PHE A 45 -2.471 2.066 -8.528 1.00 0.00 C ATOM 716 O PHE A 45 -2.598 3.245 -8.868 1.00 0.00 O ATOM 717 CB PHE A 45 -3.503 2.431 -6.271 1.00 0.00 C ATOM 718 CG PHE A 45 -4.859 2.384 -6.961 1.00 0.00 C ATOM 719 CD1 PHE A 45 -5.552 3.576 -7.249 1.00 0.00 C ATOM 720 CD2 PHE A 45 -5.389 1.155 -7.400 1.00 0.00 C ATOM 721 CE1 PHE A 45 -6.764 3.541 -7.961 1.00 0.00 C ATOM 722 CE2 PHE A 45 -6.583 1.125 -8.145 1.00 0.00 C ATOM 723 CZ PHE A 45 -7.278 2.316 -8.417 1.00 0.00 C ATOM 0 H PHE A 45 -0.977 3.124 -6.421 1.00 0.00 H new ATOM 0 HA PHE A 45 -2.513 0.633 -6.895 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -3.595 1.986 -5.280 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -3.215 3.472 -6.127 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -5.150 4.523 -6.921 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -4.878 0.233 -7.164 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -7.301 4.457 -8.158 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -6.966 0.183 -8.509 1.00 0.00 H new ATOM 0 HZ PHE A 45 -8.203 2.289 -8.974 1.00 0.00 H new ATOM 733 N ALA A 46 -2.452 1.065 -9.413 1.00 0.00 N ATOM 734 CA ALA A 46 -2.533 1.225 -10.862 1.00 0.00 C ATOM 735 C ALA A 46 -1.572 2.323 -11.324 1.00 0.00 C ATOM 736 O ALA A 46 -1.974 3.319 -11.936 1.00 0.00 O ATOM 737 CB ALA A 46 -3.993 1.470 -11.277 1.00 0.00 C ATOM 0 H ALA A 46 -2.377 0.089 -9.127 1.00 0.00 H new ATOM 0 HA ALA A 46 -2.216 0.311 -11.363 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -4.049 1.589 -12.359 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -4.605 0.621 -10.973 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -4.362 2.374 -10.793 1.00 0.00 H new ATOM 743 N GLY A 47 -0.304 2.182 -10.948 1.00 0.00 N ATOM 744 CA GLY A 47 0.768 3.101 -11.270 1.00 0.00 C ATOM 745 C GLY A 47 0.810 4.358 -10.403 1.00 0.00 C ATOM 746 O GLY A 47 1.878 4.966 -10.311 1.00 0.00 O ATOM 0 H GLY A 47 0.011 1.390 -10.388 1.00 0.00 H new ATOM 0 HA2 GLY A 47 1.719 2.577 -11.174 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.672 3.399 -12.314 1.00 0.00 H new ATOM 750 N LYS A 48 -0.286 4.785 -9.765 1.00 0.00 N ATOM 751 CA LYS A 48 -0.274 5.978 -8.928 1.00 0.00 C ATOM 752 C LYS A 48 0.596 5.704 -7.714 1.00 0.00 C ATOM 753 O LYS A 48 0.371 4.722 -7.010 1.00 0.00 O ATOM 754 CB LYS A 48 -1.695 6.397 -8.527 1.00 0.00 C ATOM 755 CG LYS A 48 -1.621 7.606 -7.582 1.00 0.00 C ATOM 756 CD LYS A 48 -2.783 8.586 -7.697 1.00 0.00 C ATOM 757 CE LYS A 48 -2.703 9.340 -9.028 1.00 0.00 C ATOM 758 NZ LYS A 48 -3.764 10.360 -9.130 1.00 0.00 N ATOM 0 H LYS A 48 -1.191 4.317 -9.816 1.00 0.00 H new ATOM 0 HA LYS A 48 0.142 6.815 -9.489 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -2.276 6.649 -9.414 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -2.206 5.568 -8.037 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -1.572 7.243 -6.555 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -0.692 8.143 -7.775 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -3.730 8.050 -7.630 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -2.757 9.292 -6.867 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -1.727 9.817 -9.120 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -2.793 8.635 -9.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -3.684 10.854 -10.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -4.695 9.900 -9.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -3.662 11.046 -8.355 1.00 0.00 H new ATOM 772 N GLN A 49 1.592 6.561 -7.499 1.00 0.00 N ATOM 773 CA GLN A 49 2.517 6.453 -6.386 1.00 0.00 C ATOM 774 C GLN A 49 1.787 7.005 -5.169 1.00 0.00 C ATOM 775 O GLN A 49 1.276 8.127 -5.227 1.00 0.00 O ATOM 776 CB GLN A 49 3.815 7.249 -6.629 1.00 0.00 C ATOM 777 CG GLN A 49 4.531 6.977 -7.963 1.00 0.00 C ATOM 778 CD GLN A 49 4.036 7.904 -9.073 1.00 0.00 C ATOM 779 OE1 GLN A 49 4.428 9.066 -9.158 1.00 0.00 O ATOM 780 NE2 GLN A 49 3.182 7.435 -9.971 1.00 0.00 N ATOM 0 H GLN A 49 1.777 7.360 -8.105 1.00 0.00 H new ATOM 0 HA GLN A 49 2.817 5.414 -6.249 1.00 0.00 H new ATOM 0 HB2 GLN A 49 3.582 8.312 -6.575 1.00 0.00 H new ATOM 0 HB3 GLN A 49 4.508 7.033 -5.816 1.00 0.00 H new ATOM 0 HG2 GLN A 49 5.605 7.108 -7.832 1.00 0.00 H new ATOM 0 HG3 GLN A 49 4.370 5.940 -8.257 1.00 0.00 H new ATOM 0 HE21 GLN A 49 2.852 6.472 -9.907 1.00 0.00 H new ATOM 0 HE22 GLN A 49 2.854 8.037 -10.726 1.00 0.00 H new ATOM 789 N LEU A 50 1.726 6.229 -4.090 1.00 0.00 N ATOM 790 CA LEU A 50 1.048 6.603 -2.857 1.00 0.00 C ATOM 791 C LEU A 50 2.104 6.796 -1.779 1.00 0.00 C ATOM 792 O LEU A 50 3.096 6.060 -1.755 1.00 0.00 O ATOM 793 CB LEU A 50 0.053 5.499 -2.453 1.00 0.00 C ATOM 794 CG LEU A 50 -0.866 5.003 -3.589 1.00 0.00 C ATOM 795 CD1 LEU A 50 -1.651 3.776 -3.145 1.00 0.00 C ATOM 796 CD2 LEU A 50 -1.854 6.072 -4.047 1.00 0.00 C ATOM 0 H LEU A 50 2.156 5.305 -4.050 1.00 0.00 H new ATOM 0 HA LEU A 50 0.487 7.528 -2.992 1.00 0.00 H new ATOM 0 HB2 LEU A 50 0.614 4.650 -2.063 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.569 5.871 -1.639 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.213 4.754 -4.426 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.293 3.441 -3.959 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.958 2.978 -2.877 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.264 4.030 -2.280 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.477 5.673 -4.847 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.485 6.367 -3.209 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.307 6.941 -4.413 1.00 0.00 H new ATOM 808 N GLU A 51 1.925 7.770 -0.890 1.00 0.00 N ATOM 809 CA GLU A 51 2.850 8.056 0.197 1.00 0.00 C ATOM 810 C GLU A 51 2.064 8.539 1.413 1.00 0.00 C ATOM 811 O GLU A 51 0.885 8.894 1.314 1.00 0.00 O ATOM 812 CB GLU A 51 3.921 9.061 -0.256 1.00 0.00 C ATOM 813 CG GLU A 51 3.474 10.529 -0.285 1.00 0.00 C ATOM 814 CD GLU A 51 4.327 11.317 -1.282 1.00 0.00 C ATOM 815 OE1 GLU A 51 5.364 11.913 -0.906 1.00 0.00 O ATOM 816 OE2 GLU A 51 4.039 11.256 -2.497 1.00 0.00 O ATOM 0 H GLU A 51 1.117 8.393 -0.908 1.00 0.00 H new ATOM 0 HA GLU A 51 3.382 7.149 0.484 1.00 0.00 H new ATOM 0 HB2 GLU A 51 4.781 8.974 0.408 1.00 0.00 H new ATOM 0 HB3 GLU A 51 4.259 8.782 -1.254 1.00 0.00 H new ATOM 0 HG2 GLU A 51 2.422 10.592 -0.564 1.00 0.00 H new ATOM 0 HG3 GLU A 51 3.566 10.965 0.710 1.00 0.00 H new ATOM 823 N ASP A 52 2.701 8.514 2.579 1.00 0.00 N ATOM 824 CA ASP A 52 2.050 8.949 3.801 1.00 0.00 C ATOM 825 C ASP A 52 1.828 10.452 3.800 1.00 0.00 C ATOM 826 O ASP A 52 2.749 11.236 3.572 1.00 0.00 O ATOM 827 CB ASP A 52 2.760 8.453 5.056 1.00 0.00 C ATOM 828 CG ASP A 52 4.130 9.050 5.325 1.00 0.00 C ATOM 829 OD1 ASP A 52 4.276 9.851 6.273 1.00 0.00 O ATOM 830 OD2 ASP A 52 5.097 8.642 4.636 1.00 0.00 O ATOM 0 H ASP A 52 3.663 8.198 2.700 1.00 0.00 H new ATOM 0 HA ASP A 52 1.065 8.482 3.826 1.00 0.00 H new ATOM 0 HB2 ASP A 52 2.121 8.657 5.915 1.00 0.00 H new ATOM 0 HB3 ASP A 52 2.865 7.370 4.987 1.00 0.00 H new ATOM 835 N GLY A 53 0.574 10.825 4.056 1.00 0.00 N ATOM 836 CA GLY A 53 0.061 12.183 4.105 1.00 0.00 C ATOM 837 C GLY A 53 -1.378 12.245 3.582 1.00 0.00 C ATOM 838 O GLY A 53 -2.085 13.212 3.875 1.00 0.00 O ATOM 0 H GLY A 53 -0.154 10.136 4.246 1.00 0.00 H new ATOM 0 HA2 GLY A 53 0.095 12.552 5.130 1.00 0.00 H new ATOM 0 HA3 GLY A 53 0.697 12.838 3.509 1.00 0.00 H new ATOM 842 N ARG A 54 -1.849 11.211 2.867 1.00 0.00 N ATOM 843 CA ARG A 54 -3.196 11.131 2.301 1.00 0.00 C ATOM 844 C ARG A 54 -3.952 9.911 2.825 1.00 0.00 C ATOM 845 O ARG A 54 -3.394 9.097 3.570 1.00 0.00 O ATOM 846 CB ARG A 54 -3.054 11.020 0.781 1.00 0.00 C ATOM 847 CG ARG A 54 -2.309 12.158 0.086 1.00 0.00 C ATOM 848 CD ARG A 54 -3.111 13.453 0.162 1.00 0.00 C ATOM 849 NE ARG A 54 -2.410 14.540 -0.526 1.00 0.00 N ATOM 850 CZ ARG A 54 -2.300 15.794 -0.076 1.00 0.00 C ATOM 851 NH1 ARG A 54 -3.065 16.231 0.919 1.00 0.00 N ATOM 852 NH2 ARG A 54 -1.409 16.602 -0.632 1.00 0.00 N ATOM 0 H ARG A 54 -1.284 10.387 2.664 1.00 0.00 H new ATOM 0 HA ARG A 54 -3.760 12.019 2.587 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -2.541 10.086 0.553 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -4.052 10.950 0.348 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -1.334 12.300 0.553 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -2.128 11.897 -0.957 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -4.093 13.305 -0.288 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -3.276 13.723 1.205 1.00 0.00 H new ATOM 0 HE ARG A 54 -1.970 14.322 -1.420 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -3.747 15.607 1.350 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -2.970 17.190 1.252 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -0.819 16.264 -1.392 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -1.313 17.562 -0.300 1.00 0.00 H new ATOM 866 N THR A 55 -5.207 9.794 2.399 1.00 0.00 N ATOM 867 CA THR A 55 -6.135 8.729 2.740 1.00 0.00 C ATOM 868 C THR A 55 -6.518 7.923 1.509 1.00 0.00 C ATOM 869 O THR A 55 -6.214 8.283 0.365 1.00 0.00 O ATOM 870 CB THR A 55 -7.417 9.306 3.365 1.00 0.00 C ATOM 871 OG1 THR A 55 -8.015 10.247 2.491 1.00 0.00 O ATOM 872 CG2 THR A 55 -7.182 9.915 4.736 1.00 0.00 C ATOM 0 H THR A 55 -5.623 10.481 1.771 1.00 0.00 H new ATOM 0 HA THR A 55 -5.633 8.080 3.457 1.00 0.00 H new ATOM 0 HB THR A 55 -8.102 8.471 3.511 1.00 0.00 H new ATOM 0 HG1 THR A 55 -7.441 11.038 2.419 1.00 0.00 H new ATOM 0 HG21 THR A 55 -8.122 10.305 5.127 1.00 0.00 H new ATOM 0 HG22 THR A 55 -6.797 9.152 5.412 1.00 0.00 H new ATOM 0 HG23 THR A 55 -6.458 10.726 4.655 1.00 0.00 H new ATOM 880 N LEU A 56 -7.236 6.833 1.762 1.00 0.00 N ATOM 881 CA LEU A 56 -7.745 5.941 0.742 1.00 0.00 C ATOM 882 C LEU A 56 -8.748 6.713 -0.116 1.00 0.00 C ATOM 883 O LEU A 56 -8.754 6.570 -1.343 1.00 0.00 O ATOM 884 CB LEU A 56 -8.406 4.734 1.439 1.00 0.00 C ATOM 885 CG LEU A 56 -7.828 3.409 0.929 1.00 0.00 C ATOM 886 CD1 LEU A 56 -7.636 2.385 2.043 1.00 0.00 C ATOM 887 CD2 LEU A 56 -8.730 2.810 -0.141 1.00 0.00 C ATOM 0 H LEU A 56 -7.483 6.544 2.709 1.00 0.00 H new ATOM 0 HA LEU A 56 -6.949 5.573 0.095 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -8.257 4.807 2.516 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -9.482 4.755 1.264 1.00 0.00 H new ATOM 0 HG LEU A 56 -6.849 3.642 0.511 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -7.224 1.466 1.626 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -6.949 2.784 2.790 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -8.597 2.172 2.511 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -8.304 1.870 -0.491 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -9.719 2.626 0.278 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -8.813 3.504 -0.977 1.00 0.00 H new ATOM 899 N SER A 57 -9.573 7.551 0.526 1.00 0.00 N ATOM 900 CA SER A 57 -10.564 8.343 -0.176 1.00 0.00 C ATOM 901 C SER A 57 -9.876 9.465 -0.964 1.00 0.00 C ATOM 902 O SER A 57 -10.282 9.694 -2.105 1.00 0.00 O ATOM 903 CB SER A 57 -11.639 8.865 0.793 1.00 0.00 C ATOM 904 OG SER A 57 -12.926 8.822 0.190 1.00 0.00 O ATOM 0 H SER A 57 -9.565 7.691 1.536 1.00 0.00 H new ATOM 0 HA SER A 57 -11.085 7.713 -0.897 1.00 0.00 H new ATOM 0 HB2 SER A 57 -11.638 8.264 1.702 1.00 0.00 H new ATOM 0 HB3 SER A 57 -11.404 9.888 1.087 1.00 0.00 H new ATOM 0 HG SER A 57 -13.595 9.156 0.823 1.00 0.00 H new ATOM 910 N ASP A 58 -8.840 10.130 -0.429 1.00 0.00 N ATOM 911 CA ASP A 58 -8.138 11.212 -1.141 1.00 0.00 C ATOM 912 C ASP A 58 -7.629 10.704 -2.475 1.00 0.00 C ATOM 913 O ASP A 58 -7.885 11.321 -3.509 1.00 0.00 O ATOM 914 CB ASP A 58 -6.904 11.746 -0.401 1.00 0.00 C ATOM 915 CG ASP A 58 -7.209 12.842 0.609 1.00 0.00 C ATOM 916 OD1 ASP A 58 -6.852 12.665 1.797 1.00 0.00 O ATOM 917 OD2 ASP A 58 -7.732 13.911 0.213 1.00 0.00 O ATOM 0 H ASP A 58 -8.467 9.936 0.500 1.00 0.00 H new ATOM 0 HA ASP A 58 -8.873 12.011 -1.235 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -6.416 10.918 0.114 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -6.193 12.129 -1.133 1.00 0.00 H new ATOM 922 N TYR A 59 -6.925 9.568 -2.463 1.00 0.00 N ATOM 923 CA TYR A 59 -6.376 8.989 -3.677 1.00 0.00 C ATOM 924 C TYR A 59 -7.440 8.358 -4.581 1.00 0.00 C ATOM 925 O TYR A 59 -7.113 7.919 -5.689 1.00 0.00 O ATOM 926 CB TYR A 59 -5.295 7.974 -3.324 1.00 0.00 C ATOM 927 CG TYR A 59 -3.970 8.575 -2.919 1.00 0.00 C ATOM 928 CD1 TYR A 59 -3.217 9.329 -3.840 1.00 0.00 C ATOM 929 CD2 TYR A 59 -3.438 8.278 -1.658 1.00 0.00 C ATOM 930 CE1 TYR A 59 -1.916 9.754 -3.516 1.00 0.00 C ATOM 931 CE2 TYR A 59 -2.130 8.671 -1.348 1.00 0.00 C ATOM 932 CZ TYR A 59 -1.362 9.415 -2.263 1.00 0.00 C ATOM 933 OH TYR A 59 -0.102 9.780 -1.908 1.00 0.00 O ATOM 0 H TYR A 59 -6.725 9.034 -1.617 1.00 0.00 H new ATOM 0 HA TYR A 59 -5.939 9.806 -4.251 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -5.657 7.347 -2.510 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -5.135 7.321 -4.182 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -3.641 9.582 -4.800 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -4.033 7.749 -0.929 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -1.344 10.337 -4.223 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -1.705 8.399 -0.393 1.00 0.00 H new ATOM 0 HH TYR A 59 -0.121 10.202 -1.024 1.00 0.00 H new ATOM 943 N ASN A 60 -8.707 8.329 -4.147 1.00 0.00 N ATOM 944 CA ASN A 60 -9.843 7.761 -4.868 1.00 0.00 C ATOM 945 C ASN A 60 -9.505 6.331 -5.307 1.00 0.00 C ATOM 946 O ASN A 60 -9.619 5.981 -6.481 1.00 0.00 O ATOM 947 CB ASN A 60 -10.237 8.707 -6.019 1.00 0.00 C ATOM 948 CG ASN A 60 -11.527 8.272 -6.696 1.00 0.00 C ATOM 949 OD1 ASN A 60 -11.486 7.820 -7.937 1.00 0.00 O flip ATOM 950 ND2 ASN A 60 -12.589 8.330 -6.092 1.00 0.00 N flip ATOM 0 H ASN A 60 -8.975 8.719 -3.243 1.00 0.00 H new ATOM 0 HA ASN A 60 -10.722 7.678 -4.229 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -10.354 9.719 -5.633 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -9.433 8.737 -6.755 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -12.613 8.680 -5.134 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -13.451 8.028 -6.546 1.00 0.00 H new ATOM 957 N ILE A 61 -9.006 5.520 -4.374 1.00 0.00 N ATOM 958 CA ILE A 61 -8.620 4.139 -4.630 1.00 0.00 C ATOM 959 C ILE A 61 -9.892 3.292 -4.571 1.00 0.00 C ATOM 960 O ILE A 61 -10.455 3.103 -3.491 1.00 0.00 O ATOM 961 CB ILE A 61 -7.537 3.692 -3.617 1.00 0.00 C ATOM 962 CG1 ILE A 61 -6.267 4.561 -3.724 1.00 0.00 C ATOM 963 CG2 ILE A 61 -7.173 2.209 -3.795 1.00 0.00 C ATOM 964 CD1 ILE A 61 -5.278 4.364 -2.569 1.00 0.00 C ATOM 0 H ILE A 61 -8.858 5.811 -3.408 1.00 0.00 H new ATOM 0 HA ILE A 61 -8.169 4.019 -5.615 1.00 0.00 H new ATOM 0 HB ILE A 61 -7.964 3.825 -2.623 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -5.762 4.335 -4.663 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -6.559 5.610 -3.764 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -6.410 1.932 -3.067 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -8.061 1.596 -3.642 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -6.789 2.047 -4.802 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -4.412 5.009 -2.717 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -5.763 4.619 -1.627 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -4.954 3.324 -2.541 1.00 0.00 H new ATOM 976 N GLN A 62 -10.359 2.796 -5.720 1.00 0.00 N ATOM 977 CA GLN A 62 -11.551 1.957 -5.804 1.00 0.00 C ATOM 978 C GLN A 62 -11.349 0.709 -4.950 1.00 0.00 C ATOM 979 O GLN A 62 -10.215 0.233 -4.828 1.00 0.00 O ATOM 980 CB GLN A 62 -11.796 1.537 -7.262 1.00 0.00 C ATOM 981 CG GLN A 62 -12.505 2.594 -8.115 1.00 0.00 C ATOM 982 CD GLN A 62 -11.775 3.928 -8.140 1.00 0.00 C ATOM 983 OE1 GLN A 62 -10.777 4.095 -8.836 1.00 0.00 O ATOM 984 NE2 GLN A 62 -12.226 4.890 -7.358 1.00 0.00 N ATOM 0 H GLN A 62 -9.916 2.968 -6.622 1.00 0.00 H new ATOM 0 HA GLN A 62 -12.411 2.520 -5.443 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -10.838 1.298 -7.724 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -12.391 0.623 -7.269 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -12.605 2.222 -9.135 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -13.514 2.746 -7.731 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -13.056 4.735 -6.786 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -11.744 5.789 -7.325 1.00 0.00 H new ATOM 993 N LYS A 63 -12.422 0.174 -4.358 1.00 0.00 N ATOM 994 CA LYS A 63 -12.294 -1.034 -3.548 1.00 0.00 C ATOM 995 C LYS A 63 -11.853 -2.190 -4.443 1.00 0.00 C ATOM 996 O LYS A 63 -12.017 -2.145 -5.667 1.00 0.00 O ATOM 997 CB LYS A 63 -13.575 -1.324 -2.739 1.00 0.00 C ATOM 998 CG LYS A 63 -14.745 -1.718 -3.653 1.00 0.00 C ATOM 999 CD LYS A 63 -15.967 -2.298 -2.936 1.00 0.00 C ATOM 1000 CE LYS A 63 -17.049 -2.448 -4.013 1.00 0.00 C ATOM 1001 NZ LYS A 63 -18.232 -3.211 -3.583 1.00 0.00 N ATOM 0 H LYS A 63 -13.368 0.551 -4.424 1.00 0.00 H new ATOM 0 HA LYS A 63 -11.522 -0.890 -2.792 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -13.382 -2.127 -2.027 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -13.847 -0.442 -2.159 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -15.058 -0.838 -4.215 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -14.388 -2.450 -4.378 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -15.733 -3.260 -2.480 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -16.301 -1.638 -2.135 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -17.368 -1.455 -4.332 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -16.613 -2.937 -4.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -18.913 -3.266 -4.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -17.944 -4.171 -3.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -18.676 -2.735 -2.771 1.00 0.00 H new ATOM 1015 N GLU A 64 -11.333 -3.247 -3.827 1.00 0.00 N ATOM 1016 CA GLU A 64 -10.845 -4.445 -4.494 1.00 0.00 C ATOM 1017 C GLU A 64 -9.773 -4.136 -5.545 1.00 0.00 C ATOM 1018 O GLU A 64 -9.657 -4.831 -6.556 1.00 0.00 O ATOM 1019 CB GLU A 64 -12.025 -5.289 -4.997 1.00 0.00 C ATOM 1020 CG GLU A 64 -12.762 -5.922 -3.820 1.00 0.00 C ATOM 1021 CD GLU A 64 -13.879 -6.817 -4.330 1.00 0.00 C ATOM 1022 OE1 GLU A 64 -14.954 -6.276 -4.673 1.00 0.00 O ATOM 1023 OE2 GLU A 64 -13.699 -8.060 -4.293 1.00 0.00 O ATOM 0 H GLU A 64 -11.237 -3.292 -2.813 1.00 0.00 H new ATOM 0 HA GLU A 64 -10.317 -5.065 -3.770 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -12.710 -4.664 -5.570 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -11.664 -6.067 -5.670 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -12.067 -6.503 -3.214 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -13.173 -5.144 -3.176 1.00 0.00 H new ATOM 1030 N SER A 65 -9.040 -3.041 -5.349 1.00 0.00 N ATOM 1031 CA SER A 65 -7.951 -2.628 -6.213 1.00 0.00 C ATOM 1032 C SER A 65 -6.759 -3.541 -5.906 1.00 0.00 C ATOM 1033 O SER A 65 -6.833 -4.385 -5.010 1.00 0.00 O ATOM 1034 CB SER A 65 -7.626 -1.155 -5.958 1.00 0.00 C ATOM 1035 OG SER A 65 -7.801 -0.797 -4.606 1.00 0.00 O ATOM 0 H SER A 65 -9.196 -2.407 -4.566 1.00 0.00 H new ATOM 0 HA SER A 65 -8.213 -2.718 -7.267 1.00 0.00 H new ATOM 0 HB2 SER A 65 -6.596 -0.955 -6.254 1.00 0.00 H new ATOM 0 HB3 SER A 65 -8.264 -0.530 -6.583 1.00 0.00 H new ATOM 0 HG SER A 65 -8.667 -0.351 -4.495 1.00 0.00 H new ATOM 1041 N THR A 66 -5.660 -3.415 -6.646 1.00 0.00 N ATOM 1042 CA THR A 66 -4.480 -4.226 -6.427 1.00 0.00 C ATOM 1043 C THR A 66 -3.367 -3.212 -6.396 1.00 0.00 C ATOM 1044 O THR A 66 -3.318 -2.317 -7.249 1.00 0.00 O ATOM 1045 CB THR A 66 -4.306 -5.320 -7.491 1.00 0.00 C ATOM 1046 OG1 THR A 66 -5.475 -6.102 -7.547 1.00 0.00 O ATOM 1047 CG2 THR A 66 -3.134 -6.253 -7.149 1.00 0.00 C ATOM 0 H THR A 66 -5.569 -2.747 -7.411 1.00 0.00 H new ATOM 0 HA THR A 66 -4.522 -4.808 -5.507 1.00 0.00 H new ATOM 0 HB THR A 66 -4.109 -4.829 -8.444 1.00 0.00 H new ATOM 0 HG1 THR A 66 -5.369 -6.801 -8.226 1.00 0.00 H new ATOM 0 HG21 THR A 66 -3.038 -7.016 -7.922 1.00 0.00 H new ATOM 0 HG22 THR A 66 -2.212 -5.674 -7.094 1.00 0.00 H new ATOM 0 HG23 THR A 66 -3.319 -6.732 -6.188 1.00 0.00 H new ATOM 1055 N LEU A 67 -2.533 -3.294 -5.372 1.00 0.00 N ATOM 1056 CA LEU A 67 -1.423 -2.393 -5.194 1.00 0.00 C ATOM 1057 C LEU A 67 -0.151 -3.208 -5.370 1.00 0.00 C ATOM 1058 O LEU A 67 -0.130 -4.393 -5.045 1.00 0.00 O ATOM 1059 CB LEU A 67 -1.538 -1.631 -3.869 1.00 0.00 C ATOM 1060 CG LEU A 67 -2.699 -0.615 -3.842 1.00 0.00 C ATOM 1061 CD1 LEU A 67 -4.103 -1.222 -3.713 1.00 0.00 C ATOM 1062 CD2 LEU A 67 -2.489 0.345 -2.677 1.00 0.00 C ATOM 0 H LEU A 67 -2.615 -3.997 -4.638 1.00 0.00 H new ATOM 0 HA LEU A 67 -1.412 -1.599 -5.941 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.673 -2.347 -3.058 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.602 -1.106 -3.678 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.670 -0.120 -4.813 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.845 -0.424 -3.704 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.292 -1.884 -4.558 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -4.170 -1.790 -2.785 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.305 1.067 -2.649 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.469 -0.216 -1.743 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.543 0.871 -2.805 1.00 0.00 H new ATOM 1074 N HIS A 68 0.896 -2.613 -5.933 1.00 0.00 N ATOM 1075 CA HIS A 68 2.160 -3.290 -6.195 1.00 0.00 C ATOM 1076 C HIS A 68 3.246 -2.799 -5.256 1.00 0.00 C ATOM 1077 O HIS A 68 3.388 -1.589 -5.047 1.00 0.00 O ATOM 1078 CB HIS A 68 2.556 -3.051 -7.657 1.00 0.00 C ATOM 1079 CG HIS A 68 1.892 -4.001 -8.629 1.00 0.00 C ATOM 1080 ND1 HIS A 68 2.493 -4.519 -9.753 1.00 0.00 N ATOM 1081 CD2 HIS A 68 0.631 -4.533 -8.542 1.00 0.00 C ATOM 1082 CE1 HIS A 68 1.593 -5.336 -10.336 1.00 0.00 C ATOM 1083 NE2 HIS A 68 0.441 -5.374 -9.642 1.00 0.00 N ATOM 0 H HIS A 68 0.890 -1.635 -6.223 1.00 0.00 H new ATOM 0 HA HIS A 68 2.039 -4.359 -6.020 1.00 0.00 H new ATOM 0 HB2 HIS A 68 2.300 -2.027 -7.931 1.00 0.00 H new ATOM 0 HB3 HIS A 68 3.638 -3.146 -7.751 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -0.089 -4.337 -7.761 1.00 0.00 H new ATOM 0 HE1 HIS A 68 1.774 -5.890 -11.245 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -0.398 -5.907 -9.871 1.00 0.00 H new ATOM 1090 N LEU A 69 3.937 -3.731 -4.602 1.00 0.00 N ATOM 1091 CA LEU A 69 5.032 -3.410 -3.701 1.00 0.00 C ATOM 1092 C LEU A 69 6.262 -3.220 -4.580 1.00 0.00 C ATOM 1093 O LEU A 69 6.531 -4.030 -5.468 1.00 0.00 O ATOM 1094 CB LEU A 69 5.300 -4.527 -2.675 1.00 0.00 C ATOM 1095 CG LEU A 69 4.271 -4.655 -1.538 1.00 0.00 C ATOM 1096 CD1 LEU A 69 4.784 -5.629 -0.472 1.00 0.00 C ATOM 1097 CD2 LEU A 69 3.988 -3.324 -0.834 1.00 0.00 C ATOM 0 H LEU A 69 3.750 -4.730 -4.685 1.00 0.00 H new ATOM 0 HA LEU A 69 4.784 -2.518 -3.125 1.00 0.00 H new ATOM 0 HB2 LEU A 69 5.347 -5.478 -3.206 1.00 0.00 H new ATOM 0 HB3 LEU A 69 6.282 -4.360 -2.233 1.00 0.00 H new ATOM 0 HG LEU A 69 3.352 -5.010 -2.005 1.00 0.00 H new ATOM 0 HD11 LEU A 69 4.049 -5.713 0.328 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.944 -6.609 -0.922 1.00 0.00 H new ATOM 0 HD13 LEU A 69 5.724 -5.259 -0.063 1.00 0.00 H new ATOM 0 HD21 LEU A 69 3.255 -3.480 -0.043 1.00 0.00 H new ATOM 0 HD22 LEU A 69 4.911 -2.937 -0.403 1.00 0.00 H new ATOM 0 HD23 LEU A 69 3.596 -2.607 -1.555 1.00 0.00 H new ATOM 1109 N VAL A 70 6.950 -2.107 -4.388 1.00 0.00 N ATOM 1110 CA VAL A 70 8.167 -1.713 -5.076 1.00 0.00 C ATOM 1111 C VAL A 70 9.005 -1.034 -4.003 1.00 0.00 C ATOM 1112 O VAL A 70 8.449 -0.437 -3.073 1.00 0.00 O ATOM 1113 CB VAL A 70 7.903 -0.789 -6.284 1.00 0.00 C ATOM 1114 CG1 VAL A 70 7.272 -1.549 -7.452 1.00 0.00 C ATOM 1115 CG2 VAL A 70 6.996 0.402 -5.959 1.00 0.00 C ATOM 0 H VAL A 70 6.654 -1.411 -3.704 1.00 0.00 H new ATOM 0 HA VAL A 70 8.675 -2.571 -5.516 1.00 0.00 H new ATOM 0 HB VAL A 70 8.889 -0.413 -6.557 1.00 0.00 H new ATOM 0 HG11 VAL A 70 7.102 -0.864 -8.282 1.00 0.00 H new ATOM 0 HG12 VAL A 70 7.942 -2.347 -7.771 1.00 0.00 H new ATOM 0 HG13 VAL A 70 6.322 -1.979 -7.136 1.00 0.00 H new ATOM 0 HG21 VAL A 70 6.855 1.007 -6.855 1.00 0.00 H new ATOM 0 HG22 VAL A 70 6.029 0.039 -5.610 1.00 0.00 H new ATOM 0 HG23 VAL A 70 7.458 1.009 -5.180 1.00 0.00 H new ATOM 1125 N LEU A 71 10.328 -1.062 -4.140 1.00 0.00 N ATOM 1126 CA LEU A 71 11.163 -0.443 -3.128 1.00 0.00 C ATOM 1127 C LEU A 71 11.211 1.066 -3.303 1.00 0.00 C ATOM 1128 O LEU A 71 10.898 1.620 -4.358 1.00 0.00 O ATOM 1129 CB LEU A 71 12.554 -1.092 -3.084 1.00 0.00 C ATOM 1130 CG LEU A 71 13.428 -0.967 -4.347 1.00 0.00 C ATOM 1131 CD1 LEU A 71 14.185 0.365 -4.442 1.00 0.00 C ATOM 1132 CD2 LEU A 71 14.455 -2.096 -4.302 1.00 0.00 C ATOM 0 H LEU A 71 10.828 -1.493 -4.917 1.00 0.00 H new ATOM 0 HA LEU A 71 10.712 -0.622 -2.152 1.00 0.00 H new ATOM 0 HB2 LEU A 71 13.103 -0.658 -2.248 1.00 0.00 H new ATOM 0 HB3 LEU A 71 12.426 -2.152 -2.865 1.00 0.00 H new ATOM 0 HG LEU A 71 12.769 -1.019 -5.214 1.00 0.00 H new ATOM 0 HD11 LEU A 71 14.779 0.382 -5.356 1.00 0.00 H new ATOM 0 HD12 LEU A 71 13.471 1.189 -4.458 1.00 0.00 H new ATOM 0 HD13 LEU A 71 14.843 0.472 -3.580 1.00 0.00 H new ATOM 0 HD21 LEU A 71 15.095 -2.041 -5.183 1.00 0.00 H new ATOM 0 HD22 LEU A 71 15.065 -1.998 -3.404 1.00 0.00 H new ATOM 0 HD23 LEU A 71 13.940 -3.056 -4.287 1.00 0.00 H new ATOM 1144 N ARG A 72 11.611 1.748 -2.235 1.00 0.00 N ATOM 1145 CA ARG A 72 11.752 3.187 -2.160 1.00 0.00 C ATOM 1146 C ARG A 72 12.968 3.430 -1.300 1.00 0.00 C ATOM 1147 O ARG A 72 12.887 3.335 -0.080 1.00 0.00 O ATOM 1148 CB ARG A 72 10.485 3.823 -1.582 1.00 0.00 C ATOM 1149 CG ARG A 72 10.558 5.355 -1.600 1.00 0.00 C ATOM 1150 CD ARG A 72 10.969 5.947 -0.248 1.00 0.00 C ATOM 1151 NE ARG A 72 10.785 7.403 -0.265 1.00 0.00 N ATOM 1152 CZ ARG A 72 11.660 8.332 0.130 1.00 0.00 C ATOM 1153 NH1 ARG A 72 12.763 8.000 0.787 1.00 0.00 N ATOM 1154 NH2 ARG A 72 11.424 9.606 -0.137 1.00 0.00 N ATOM 0 H ARG A 72 11.856 1.285 -1.360 1.00 0.00 H new ATOM 0 HA ARG A 72 11.883 3.644 -3.141 1.00 0.00 H new ATOM 0 HB2 ARG A 72 9.619 3.494 -2.156 1.00 0.00 H new ATOM 0 HB3 ARG A 72 10.339 3.478 -0.558 1.00 0.00 H new ATOM 0 HG2 ARG A 72 11.271 5.671 -2.361 1.00 0.00 H new ATOM 0 HG3 ARG A 72 9.586 5.757 -1.887 1.00 0.00 H new ATOM 0 HD2 ARG A 72 10.371 5.505 0.549 1.00 0.00 H new ATOM 0 HD3 ARG A 72 12.011 5.706 -0.037 1.00 0.00 H new ATOM 0 HE ARG A 72 9.890 7.743 -0.617 1.00 0.00 H new ATOM 0 HH11 ARG A 72 12.955 7.021 0.999 1.00 0.00 H new ATOM 0 HH12 ARG A 72 13.419 8.724 1.080 1.00 0.00 H new ATOM 0 HH21 ARG A 72 10.579 9.873 -0.641 1.00 0.00 H new ATOM 0 HH22 ARG A 72 12.087 10.321 0.161 1.00 0.00 H new ATOM 1168 N LEU A 73 14.107 3.607 -1.945 1.00 0.00 N ATOM 1169 CA LEU A 73 15.386 3.860 -1.305 1.00 0.00 C ATOM 1170 C LEU A 73 15.685 5.342 -1.486 1.00 0.00 C ATOM 1171 O LEU A 73 15.229 5.956 -2.460 1.00 0.00 O ATOM 1172 CB LEU A 73 16.465 3.020 -2.014 1.00 0.00 C ATOM 1173 CG LEU A 73 17.621 2.458 -1.167 1.00 0.00 C ATOM 1174 CD1 LEU A 73 18.584 3.537 -0.670 1.00 0.00 C ATOM 1175 CD2 LEU A 73 17.105 1.602 -0.004 1.00 0.00 C ATOM 0 H LEU A 73 14.169 3.578 -2.963 1.00 0.00 H new ATOM 0 HA LEU A 73 15.369 3.597 -0.247 1.00 0.00 H new ATOM 0 HB2 LEU A 73 15.968 2.180 -2.499 1.00 0.00 H new ATOM 0 HB3 LEU A 73 16.898 3.633 -2.804 1.00 0.00 H new ATOM 0 HG LEU A 73 18.195 1.816 -1.835 1.00 0.00 H new ATOM 0 HD11 LEU A 73 19.375 3.075 -0.080 1.00 0.00 H new ATOM 0 HD12 LEU A 73 19.023 4.054 -1.523 1.00 0.00 H new ATOM 0 HD13 LEU A 73 18.041 4.252 -0.052 1.00 0.00 H new ATOM 0 HD21 LEU A 73 17.950 1.223 0.571 1.00 0.00 H new ATOM 0 HD22 LEU A 73 16.470 2.209 0.641 1.00 0.00 H new ATOM 0 HD23 LEU A 73 16.528 0.765 -0.397 1.00 0.00 H new ATOM 1187 N ARG A 74 16.454 5.921 -0.570 1.00 0.00 N ATOM 1188 CA ARG A 74 16.830 7.322 -0.651 1.00 0.00 C ATOM 1189 C ARG A 74 17.903 7.538 -1.722 1.00 0.00 C ATOM 1190 O ARG A 74 18.360 6.591 -2.363 1.00 0.00 O ATOM 1191 CB ARG A 74 17.231 7.826 0.744 1.00 0.00 C ATOM 1192 CG ARG A 74 18.616 7.337 1.192 1.00 0.00 C ATOM 1193 CD ARG A 74 18.776 7.507 2.700 1.00 0.00 C ATOM 1194 NE ARG A 74 20.144 7.213 3.140 1.00 0.00 N ATOM 1195 CZ ARG A 74 20.529 7.075 4.412 1.00 0.00 C ATOM 1196 NH1 ARG A 74 19.640 7.142 5.398 1.00 0.00 N ATOM 1197 NH2 ARG A 74 21.809 6.869 4.692 1.00 0.00 N ATOM 0 H ARG A 74 16.830 5.434 0.243 1.00 0.00 H new ATOM 0 HA ARG A 74 15.978 7.922 -0.971 1.00 0.00 H new ATOM 0 HB2 ARG A 74 17.220 8.916 0.746 1.00 0.00 H new ATOM 0 HB3 ARG A 74 16.486 7.499 1.469 1.00 0.00 H new ATOM 0 HG2 ARG A 74 18.744 6.289 0.922 1.00 0.00 H new ATOM 0 HG3 ARG A 74 19.393 7.897 0.672 1.00 0.00 H new ATOM 0 HD2 ARG A 74 18.516 8.528 2.980 1.00 0.00 H new ATOM 0 HD3 ARG A 74 18.079 6.847 3.216 1.00 0.00 H new ATOM 0 HE ARG A 74 20.857 7.106 2.419 1.00 0.00 H new ATOM 0 HH11 ARG A 74 18.655 7.300 5.186 1.00 0.00 H new ATOM 0 HH12 ARG A 74 19.943 7.035 6.366 1.00 0.00 H new ATOM 0 HH21 ARG A 74 22.494 6.817 3.938 1.00 0.00 H new ATOM 0 HH22 ARG A 74 22.108 6.763 5.661 1.00 0.00 H new ATOM 1211 N GLY A 75 18.351 8.778 -1.900 1.00 0.00 N ATOM 1212 CA GLY A 75 19.361 9.158 -2.883 1.00 0.00 C ATOM 1213 C GLY A 75 20.794 8.729 -2.551 1.00 0.00 C ATOM 1214 O GLY A 75 21.725 9.411 -2.984 1.00 0.00 O ATOM 0 H GLY A 75 18.012 9.567 -1.350 1.00 0.00 H new ATOM 0 HA2 GLY A 75 19.085 8.729 -3.847 1.00 0.00 H new ATOM 0 HA3 GLY A 75 19.342 10.242 -2.999 1.00 0.00 H new ATOM 1218 N GLY A 76 21.024 7.667 -1.776 1.00 0.00 N ATOM 1219 CA GLY A 76 22.361 7.194 -1.423 1.00 0.00 C ATOM 1220 C GLY A 76 22.369 6.578 -0.046 1.00 0.00 C ATOM 1221 O GLY A 76 21.792 7.174 0.883 1.00 0.00 O ATOM 0 H GLY A 76 20.275 7.105 -1.371 1.00 0.00 H new ATOM 0 HA2 GLY A 76 22.697 6.460 -2.156 1.00 0.00 H new ATOM 0 HA3 GLY A 76 23.066 8.025 -1.458 1.00 0.00 H new TER 1225 GLY A 76