USER MOD reduce.3.24.130724 H: found=0, std=0, add=633, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 634 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 41 SER OG : rot -69:sc= 0.192 USER MOD Set 1.2: A 42 GLN : amide:sc= -10.4! C(o=-10!,f=-18!) USER MOD Set 2.1: A 40 SER OG : rot 120:sc= -0.557 USER MOD Set 2.2: A 43 TYR OH : rot 34:sc= -2.69! USER MOD Set 2.3: A 45 LYS NZ :NH3+ -177:sc= 0.306 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc= -18.2! C(o=-18!,f=-27!) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 64:sc= -1.65 USER MOD Single : A 21 THR OG1 : rot -21:sc= 1.01 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 115:sc= 0.908 USER MOD Single : A 28 ASN : amide:sc= -0.286 K(o=-0.29,f=-2.2!) USER MOD Single : A 30 ASN : amide:sc= -12.5! C(o=-13!,f=-12!) USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.374 USER MOD Single : A 33 ASN : amide:sc= -0.182 K(o=-0.18,f=-1.3!) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.0741 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -10.2! C(o=-10!,f=-7.5!) USER MOD Single : A 51 THR OG1 : rot -72:sc= 1.08 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 80:sc= -2.46! USER MOD Single : A 58 ASN : amide:sc= -2.84! C(o=-2.8!,f=-6.1!) USER MOD Single : A 59 THR OG1 : rot -14:sc= 0.786 USER MOD Single : A 63 ASN : amide:sc= -0.0661 X(o=-0.066,f=-0.53) USER MOD Single : A 64 THR OG1 : rot -69:sc= -2.3! USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ -98:sc= -1.68! (180deg=-3.31!) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 123:sc= -2.75! USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ -116:sc= -0.656 (180deg=-2.16!) USER MOD Single : A 78 ASN : amide:sc= -8.26! C(o=-8.3!,f=-11!) USER MOD Single : A 80 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0316) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 68:sc= 0.708 USER MOD ----------------------------------------------------------------- ATOM 37 N ASP A 3 -6.397 17.143 -6.247 1.00 0.00 N ATOM 38 CA ASP A 3 -7.461 16.196 -6.548 1.00 0.00 C ATOM 39 C ASP A 3 -6.894 14.906 -7.140 1.00 0.00 C ATOM 40 O ASP A 3 -7.017 14.652 -8.338 1.00 0.00 O ATOM 41 CB ASP A 3 -8.464 16.817 -7.518 1.00 0.00 C ATOM 42 CG ASP A 3 -9.850 16.933 -6.916 1.00 0.00 C ATOM 43 OD1 ASP A 3 -9.953 17.041 -5.677 1.00 0.00 O ATOM 44 OD2 ASP A 3 -10.835 16.913 -7.686 1.00 0.00 O ATOM 0 HA ASP A 3 -7.970 15.952 -5.615 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -8.115 17.806 -7.814 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -8.513 16.212 -8.423 1.00 0.00 H new ATOM 49 N PRO A 4 -6.257 14.075 -6.302 1.00 0.00 N ATOM 50 CA PRO A 4 -5.667 12.811 -6.736 1.00 0.00 C ATOM 51 C PRO A 4 -6.669 11.670 -6.713 1.00 0.00 C ATOM 52 O PRO A 4 -7.654 11.712 -5.973 1.00 0.00 O ATOM 53 CB PRO A 4 -4.576 12.589 -5.694 1.00 0.00 C ATOM 54 CG PRO A 4 -5.125 13.187 -4.441 1.00 0.00 C ATOM 55 CD PRO A 4 -6.053 14.305 -4.862 1.00 0.00 C ATOM 0 HA PRO A 4 -5.307 12.844 -7.764 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -4.360 11.528 -5.566 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -3.643 13.071 -5.988 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -5.661 12.438 -3.858 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -4.322 13.568 -3.810 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -6.995 14.269 -4.315 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -5.611 15.283 -4.673 1.00 0.00 H new ATOM 63 N THR A 5 -6.426 10.647 -7.524 1.00 0.00 N ATOM 64 CA THR A 5 -7.330 9.501 -7.582 1.00 0.00 C ATOM 65 C THR A 5 -6.559 8.189 -7.656 1.00 0.00 C ATOM 66 O THR A 5 -5.807 7.956 -8.597 1.00 0.00 O ATOM 67 CB THR A 5 -8.269 9.624 -8.780 1.00 0.00 C ATOM 68 OG1 THR A 5 -9.105 10.761 -8.651 1.00 0.00 O ATOM 69 CG2 THR A 5 -9.164 8.415 -8.962 1.00 0.00 C ATOM 0 H THR A 5 -5.619 10.586 -8.145 1.00 0.00 H new ATOM 0 HA THR A 5 -7.919 9.496 -6.665 1.00 0.00 H new ATOM 0 HB THR A 5 -7.618 9.712 -9.650 1.00 0.00 H new ATOM 0 HG1 THR A 5 -9.697 10.822 -9.430 1.00 0.00 H new ATOM 0 HG21 THR A 5 -9.807 8.565 -9.830 1.00 0.00 H new ATOM 0 HG22 THR A 5 -8.550 7.527 -9.115 1.00 0.00 H new ATOM 0 HG23 THR A 5 -9.780 8.281 -8.073 1.00 0.00 H new ATOM 77 N ILE A 6 -6.739 7.334 -6.657 1.00 0.00 N ATOM 78 CA ILE A 6 -6.046 6.065 -6.633 1.00 0.00 C ATOM 79 C ILE A 6 -6.901 4.949 -6.039 1.00 0.00 C ATOM 80 O ILE A 6 -8.060 5.154 -5.680 1.00 0.00 O ATOM 81 CB ILE A 6 -4.722 6.183 -5.850 1.00 0.00 C ATOM 82 CG1 ILE A 6 -4.925 5.909 -4.354 1.00 0.00 C ATOM 83 CG2 ILE A 6 -4.111 7.561 -6.052 1.00 0.00 C ATOM 84 CD1 ILE A 6 -3.646 5.531 -3.640 1.00 0.00 C ATOM 0 H ILE A 6 -7.355 7.500 -5.861 1.00 0.00 H new ATOM 0 HA ILE A 6 -5.833 5.803 -7.669 1.00 0.00 H new ATOM 0 HB ILE A 6 -4.039 5.428 -6.238 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -5.348 6.796 -3.883 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -5.652 5.106 -4.233 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -3.177 7.630 -5.494 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -3.913 7.719 -7.112 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -4.804 8.322 -5.695 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -3.857 5.350 -2.586 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -3.233 4.627 -4.087 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -2.925 6.343 -3.731 1.00 0.00 H new ATOM 96 N ASN A 7 -6.301 3.769 -5.947 1.00 0.00 N ATOM 97 CA ASN A 7 -6.961 2.583 -5.402 1.00 0.00 C ATOM 98 C ASN A 7 -7.651 2.875 -4.078 1.00 0.00 C ATOM 99 O ASN A 7 -7.703 4.017 -3.625 1.00 0.00 O ATOM 100 CB ASN A 7 -5.945 1.450 -5.223 1.00 0.00 C ATOM 101 CG ASN A 7 -4.534 1.888 -5.531 1.00 0.00 C ATOM 102 OD1 ASN A 7 -3.943 1.466 -6.522 1.00 0.00 O ATOM 103 ND2 ASN A 7 -4.000 2.763 -4.687 1.00 0.00 N ATOM 0 H ASN A 7 -5.341 3.604 -6.248 1.00 0.00 H new ATOM 0 HA ASN A 7 -7.727 2.278 -6.115 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -5.993 1.082 -4.198 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -6.214 0.618 -5.874 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -3.057 3.116 -4.848 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -4.533 3.082 -3.878 1.00 0.00 H new ATOM 110 N PRO A 8 -8.218 1.831 -3.453 1.00 0.00 N ATOM 111 CA PRO A 8 -8.942 1.959 -2.197 1.00 0.00 C ATOM 112 C PRO A 8 -8.080 2.468 -1.051 1.00 0.00 C ATOM 113 O PRO A 8 -7.097 3.176 -1.266 1.00 0.00 O ATOM 114 CB PRO A 8 -9.445 0.537 -1.911 1.00 0.00 C ATOM 115 CG PRO A 8 -9.394 -0.148 -3.231 1.00 0.00 C ATOM 116 CD PRO A 8 -8.225 0.447 -3.948 1.00 0.00 C ATOM 0 HA PRO A 8 -9.741 2.696 -2.280 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -8.815 0.033 -1.178 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -10.458 0.548 -1.508 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -9.273 -1.224 -3.110 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -10.317 0.008 -3.789 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -7.297 -0.073 -3.712 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -8.348 0.404 -5.030 1.00 0.00 H new ATOM 124 N THR A 9 -8.471 2.124 0.170 1.00 0.00 N ATOM 125 CA THR A 9 -7.749 2.568 1.350 1.00 0.00 C ATOM 126 C THR A 9 -7.755 1.509 2.457 1.00 0.00 C ATOM 127 O THR A 9 -7.378 1.792 3.594 1.00 0.00 O ATOM 128 CB THR A 9 -8.375 3.866 1.867 1.00 0.00 C ATOM 129 OG1 THR A 9 -8.222 4.907 0.916 1.00 0.00 O ATOM 130 CG2 THR A 9 -7.789 4.357 3.174 1.00 0.00 C ATOM 0 H THR A 9 -9.284 1.539 0.366 1.00 0.00 H new ATOM 0 HA THR A 9 -6.710 2.738 1.067 1.00 0.00 H new ATOM 0 HB THR A 9 -9.424 3.622 2.035 1.00 0.00 H new ATOM 0 HG1 THR A 9 -8.629 5.729 1.262 1.00 0.00 H new ATOM 0 HG21 THR A 9 -8.286 5.280 3.472 1.00 0.00 H new ATOM 0 HG22 THR A 9 -7.936 3.601 3.945 1.00 0.00 H new ATOM 0 HG23 THR A 9 -6.723 4.544 3.047 1.00 0.00 H new ATOM 138 N SER A 10 -8.181 0.290 2.137 1.00 0.00 N ATOM 139 CA SER A 10 -8.219 -0.762 3.146 1.00 0.00 C ATOM 140 C SER A 10 -8.204 -2.165 2.535 1.00 0.00 C ATOM 141 O SER A 10 -9.049 -2.504 1.708 1.00 0.00 O ATOM 142 CB SER A 10 -9.459 -0.600 4.026 1.00 0.00 C ATOM 143 OG SER A 10 -9.205 -1.034 5.351 1.00 0.00 O ATOM 0 H SER A 10 -8.498 0.011 1.209 1.00 0.00 H new ATOM 0 HA SER A 10 -7.316 -0.658 3.747 1.00 0.00 H new ATOM 0 HB2 SER A 10 -9.768 0.445 4.035 1.00 0.00 H new ATOM 0 HB3 SER A 10 -10.285 -1.173 3.605 1.00 0.00 H new ATOM 0 HG SER A 10 -10.013 -0.918 5.894 1.00 0.00 H new ATOM 149 N ILE A 11 -7.238 -2.975 2.970 1.00 0.00 N ATOM 150 CA ILE A 11 -7.105 -4.341 2.499 1.00 0.00 C ATOM 151 C ILE A 11 -6.475 -5.222 3.578 1.00 0.00 C ATOM 152 O ILE A 11 -5.827 -4.717 4.498 1.00 0.00 O ATOM 153 CB ILE A 11 -6.256 -4.414 1.223 1.00 0.00 C ATOM 154 CG1 ILE A 11 -4.782 -4.146 1.533 1.00 0.00 C ATOM 155 CG2 ILE A 11 -6.773 -3.427 0.185 1.00 0.00 C ATOM 156 CD1 ILE A 11 -3.873 -4.356 0.342 1.00 0.00 C ATOM 0 H ILE A 11 -6.534 -2.699 3.654 1.00 0.00 H new ATOM 0 HA ILE A 11 -8.107 -4.705 2.271 1.00 0.00 H new ATOM 0 HB ILE A 11 -6.338 -5.421 0.815 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -4.673 -3.121 1.888 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -4.464 -4.800 2.344 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -6.160 -3.491 -0.714 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -7.807 -3.667 -0.062 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -6.722 -2.415 0.588 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -2.842 -4.149 0.630 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -3.954 -5.388 -0.000 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -4.167 -3.683 -0.463 1.00 0.00 H new ATOM 168 N SER A 12 -6.666 -6.534 3.473 1.00 0.00 N ATOM 169 CA SER A 12 -6.110 -7.463 4.456 1.00 0.00 C ATOM 170 C SER A 12 -5.752 -8.806 3.819 1.00 0.00 C ATOM 171 O SER A 12 -6.450 -9.288 2.930 1.00 0.00 O ATOM 172 CB SER A 12 -7.104 -7.680 5.598 1.00 0.00 C ATOM 173 OG SER A 12 -8.336 -7.032 5.334 1.00 0.00 O ATOM 0 H SER A 12 -7.197 -6.977 2.723 1.00 0.00 H new ATOM 0 HA SER A 12 -5.195 -7.020 4.849 1.00 0.00 H new ATOM 0 HB2 SER A 12 -7.274 -8.748 5.738 1.00 0.00 H new ATOM 0 HB3 SER A 12 -6.682 -7.300 6.528 1.00 0.00 H new ATOM 0 HG SER A 12 -8.954 -7.188 6.079 1.00 0.00 H new ATOM 179 N ALA A 13 -4.658 -9.402 4.292 1.00 0.00 N ATOM 180 CA ALA A 13 -4.202 -10.685 3.787 1.00 0.00 C ATOM 181 C ALA A 13 -3.076 -11.235 4.656 1.00 0.00 C ATOM 182 O ALA A 13 -2.421 -10.494 5.388 1.00 0.00 O ATOM 183 CB ALA A 13 -3.742 -10.550 2.342 1.00 0.00 C ATOM 0 H ALA A 13 -4.072 -9.009 5.029 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.035 -11.386 3.823 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -3.403 -11.519 1.976 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.571 -10.200 1.727 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.922 -9.834 2.287 1.00 0.00 H new ATOM 189 N LYS A 14 -2.856 -12.537 4.569 1.00 0.00 N ATOM 190 CA LYS A 14 -1.803 -13.189 5.341 1.00 0.00 C ATOM 191 C LYS A 14 -0.431 -12.788 4.809 1.00 0.00 C ATOM 192 O LYS A 14 -0.272 -12.541 3.614 1.00 0.00 O ATOM 193 CB LYS A 14 -1.964 -14.708 5.286 1.00 0.00 C ATOM 194 CG LYS A 14 -1.735 -15.393 6.623 1.00 0.00 C ATOM 195 CD LYS A 14 -2.943 -16.217 7.040 1.00 0.00 C ATOM 196 CE LYS A 14 -2.615 -17.136 8.206 1.00 0.00 C ATOM 197 NZ LYS A 14 -2.685 -16.421 9.512 1.00 0.00 N ATOM 0 H LYS A 14 -3.392 -13.166 3.971 1.00 0.00 H new ATOM 0 HA LYS A 14 -1.886 -12.866 6.379 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -2.967 -14.946 4.932 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -1.264 -15.113 4.555 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -0.858 -16.038 6.558 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -1.523 -14.644 7.386 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -3.760 -15.552 7.319 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -3.290 -16.810 6.194 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -3.310 -17.975 8.214 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -1.616 -17.551 8.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -2.455 -17.081 10.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -2.004 -15.635 9.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -3.645 -16.047 9.652 1.00 0.00 H new ATOM 211 N ALA A 15 0.555 -12.722 5.691 1.00 0.00 N ATOM 212 CA ALA A 15 1.893 -12.350 5.266 1.00 0.00 C ATOM 213 C ALA A 15 2.442 -13.369 4.297 1.00 0.00 C ATOM 214 O ALA A 15 2.841 -14.472 4.671 1.00 0.00 O ATOM 215 CB ALA A 15 2.826 -12.162 6.454 1.00 0.00 C ATOM 0 H ALA A 15 0.456 -12.917 6.687 1.00 0.00 H new ATOM 0 HA ALA A 15 1.827 -11.390 4.754 1.00 0.00 H new ATOM 0 HB1 ALA A 15 3.818 -11.884 6.097 1.00 0.00 H new ATOM 0 HB2 ALA A 15 2.439 -11.374 7.100 1.00 0.00 H new ATOM 0 HB3 ALA A 15 2.890 -13.093 7.017 1.00 0.00 H new ATOM 221 N GLY A 16 2.419 -12.983 3.039 1.00 0.00 N ATOM 222 CA GLY A 16 2.873 -13.842 1.978 1.00 0.00 C ATOM 223 C GLY A 16 1.821 -13.938 0.904 1.00 0.00 C ATOM 224 O GLY A 16 2.127 -13.933 -0.278 1.00 0.00 O ATOM 0 H GLY A 16 2.086 -12.070 2.729 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.800 -13.453 1.556 1.00 0.00 H new ATOM 0 HA3 GLY A 16 3.093 -14.834 2.372 1.00 0.00 H new ATOM 228 N SER A 17 0.565 -13.964 1.327 1.00 0.00 N ATOM 229 CA SER A 17 -0.537 -14.017 0.400 1.00 0.00 C ATOM 230 C SER A 17 -0.656 -12.691 -0.333 1.00 0.00 C ATOM 231 O SER A 17 -1.646 -12.422 -1.013 1.00 0.00 O ATOM 232 CB SER A 17 -1.817 -14.309 1.170 1.00 0.00 C ATOM 233 OG SER A 17 -1.611 -14.213 2.568 1.00 0.00 O ATOM 0 H SER A 17 0.292 -13.949 2.310 1.00 0.00 H new ATOM 0 HA SER A 17 -0.367 -14.806 -0.333 1.00 0.00 H new ATOM 0 HB2 SER A 17 -2.594 -13.608 0.866 1.00 0.00 H new ATOM 0 HB3 SER A 17 -2.174 -15.308 0.921 1.00 0.00 H new ATOM 0 HG SER A 17 -1.373 -13.291 2.801 1.00 0.00 H new ATOM 239 N PHE A 18 0.361 -11.861 -0.179 1.00 0.00 N ATOM 240 CA PHE A 18 0.394 -10.562 -0.791 1.00 0.00 C ATOM 241 C PHE A 18 1.191 -10.588 -2.081 1.00 0.00 C ATOM 242 O PHE A 18 2.310 -10.089 -2.135 1.00 0.00 O ATOM 243 CB PHE A 18 1.030 -9.596 0.180 1.00 0.00 C ATOM 244 CG PHE A 18 0.149 -9.236 1.338 1.00 0.00 C ATOM 245 CD1 PHE A 18 -1.083 -8.649 1.132 1.00 0.00 C ATOM 246 CD2 PHE A 18 0.558 -9.491 2.639 1.00 0.00 C ATOM 247 CE1 PHE A 18 -1.897 -8.320 2.201 1.00 0.00 C ATOM 248 CE2 PHE A 18 -0.246 -9.165 3.709 1.00 0.00 C ATOM 249 CZ PHE A 18 -1.477 -8.579 3.492 1.00 0.00 C ATOM 0 H PHE A 18 1.187 -12.079 0.379 1.00 0.00 H new ATOM 0 HA PHE A 18 -0.623 -10.252 -1.032 1.00 0.00 H new ATOM 0 HB2 PHE A 18 1.954 -10.032 0.560 1.00 0.00 H new ATOM 0 HB3 PHE A 18 1.303 -8.686 -0.354 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -1.415 -8.444 0.125 1.00 0.00 H new ATOM 0 HD2 PHE A 18 1.519 -9.951 2.815 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -2.859 -7.861 2.027 1.00 0.00 H new ATOM 0 HE2 PHE A 18 0.086 -9.368 4.716 1.00 0.00 H new ATOM 0 HZ PHE A 18 -2.110 -8.324 4.329 1.00 0.00 H new ATOM 259 N ALA A 19 0.609 -11.163 -3.113 1.00 0.00 N ATOM 260 CA ALA A 19 1.280 -11.242 -4.402 1.00 0.00 C ATOM 261 C ALA A 19 1.396 -9.853 -5.018 1.00 0.00 C ATOM 262 O ALA A 19 0.646 -8.947 -4.657 1.00 0.00 O ATOM 263 CB ALA A 19 0.530 -12.179 -5.336 1.00 0.00 C ATOM 0 H ALA A 19 -0.321 -11.581 -3.089 1.00 0.00 H new ATOM 0 HA ALA A 19 2.283 -11.641 -4.250 1.00 0.00 H new ATOM 0 HB1 ALA A 19 1.046 -12.226 -6.295 1.00 0.00 H new ATOM 0 HB2 ALA A 19 0.490 -13.176 -4.896 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -0.484 -11.808 -5.487 1.00 0.00 H new ATOM 269 N ASP A 20 2.347 -9.685 -5.938 1.00 0.00 N ATOM 270 CA ASP A 20 2.562 -8.393 -6.592 1.00 0.00 C ATOM 271 C ASP A 20 1.238 -7.665 -6.780 1.00 0.00 C ATOM 272 O ASP A 20 0.358 -8.137 -7.500 1.00 0.00 O ATOM 273 CB ASP A 20 3.250 -8.587 -7.943 1.00 0.00 C ATOM 274 CG ASP A 20 3.400 -7.285 -8.708 1.00 0.00 C ATOM 275 OD1 ASP A 20 3.297 -6.212 -8.078 1.00 0.00 O ATOM 276 OD2 ASP A 20 3.621 -7.341 -9.935 1.00 0.00 O ATOM 0 H ASP A 20 2.979 -10.424 -6.246 1.00 0.00 H new ATOM 0 HA ASP A 20 3.206 -7.788 -5.954 1.00 0.00 H new ATOM 0 HB2 ASP A 20 4.234 -9.029 -7.786 1.00 0.00 H new ATOM 0 HB3 ASP A 20 2.675 -9.293 -8.542 1.00 0.00 H new ATOM 281 N THR A 21 1.083 -6.524 -6.110 1.00 0.00 N ATOM 282 CA THR A 21 -0.158 -5.769 -6.201 1.00 0.00 C ATOM 283 C THR A 21 0.030 -4.429 -6.901 1.00 0.00 C ATOM 284 O THR A 21 0.449 -3.452 -6.285 1.00 0.00 O ATOM 285 CB THR A 21 -0.744 -5.546 -4.806 1.00 0.00 C ATOM 286 OG1 THR A 21 -0.534 -6.682 -3.988 1.00 0.00 O ATOM 287 CG2 THR A 21 -2.230 -5.261 -4.822 1.00 0.00 C ATOM 0 H THR A 21 1.793 -6.109 -5.507 1.00 0.00 H new ATOM 0 HA THR A 21 -0.849 -6.360 -6.802 1.00 0.00 H new ATOM 0 HB THR A 21 -0.226 -4.673 -4.410 1.00 0.00 H new ATOM 0 HG1 THR A 21 -0.375 -7.467 -4.553 1.00 0.00 H new ATOM 0 HG21 THR A 21 -2.583 -5.112 -3.801 1.00 0.00 H new ATOM 0 HG22 THR A 21 -2.422 -4.361 -5.407 1.00 0.00 H new ATOM 0 HG23 THR A 21 -2.757 -6.104 -5.269 1.00 0.00 H new ATOM 295 N LYS A 22 -0.294 -4.382 -8.188 1.00 0.00 N ATOM 296 CA LYS A 22 -0.172 -3.159 -8.956 1.00 0.00 C ATOM 297 C LYS A 22 -1.204 -2.146 -8.501 1.00 0.00 C ATOM 298 O LYS A 22 -2.366 -2.478 -8.264 1.00 0.00 O ATOM 299 CB LYS A 22 -0.331 -3.435 -10.442 1.00 0.00 C ATOM 300 CG LYS A 22 -0.263 -2.186 -11.306 1.00 0.00 C ATOM 301 CD LYS A 22 1.163 -1.707 -11.480 1.00 0.00 C ATOM 302 CE LYS A 22 1.548 -1.618 -12.948 1.00 0.00 C ATOM 303 NZ LYS A 22 2.427 -2.747 -13.362 1.00 0.00 N ATOM 0 H LYS A 22 -0.643 -5.181 -8.718 1.00 0.00 H new ATOM 0 HA LYS A 22 0.824 -2.750 -8.787 1.00 0.00 H new ATOM 0 HB2 LYS A 22 0.448 -4.128 -10.759 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -1.287 -3.931 -10.610 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -0.699 -2.394 -12.283 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -0.860 -1.395 -10.852 1.00 0.00 H new ATOM 0 HD2 LYS A 22 1.278 -0.729 -11.013 1.00 0.00 H new ATOM 0 HD3 LYS A 22 1.841 -2.388 -10.966 1.00 0.00 H new ATOM 0 HE2 LYS A 22 0.646 -1.617 -13.560 1.00 0.00 H new ATOM 0 HE3 LYS A 22 2.060 -0.673 -13.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 2.667 -2.649 -14.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 3.299 -2.734 -12.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 1.930 -3.648 -13.210 1.00 0.00 H new ATOM 317 N ILE A 23 -0.759 -0.917 -8.370 1.00 0.00 N ATOM 318 CA ILE A 23 -1.618 0.167 -7.925 1.00 0.00 C ATOM 319 C ILE A 23 -1.541 1.359 -8.881 1.00 0.00 C ATOM 320 O ILE A 23 -0.516 1.585 -9.523 1.00 0.00 O ATOM 321 CB ILE A 23 -1.248 0.589 -6.492 1.00 0.00 C ATOM 322 CG1 ILE A 23 -2.128 -0.170 -5.494 1.00 0.00 C ATOM 323 CG2 ILE A 23 -1.353 2.100 -6.300 1.00 0.00 C ATOM 324 CD1 ILE A 23 -2.144 0.413 -4.099 1.00 0.00 C ATOM 0 H ILE A 23 0.202 -0.637 -8.566 1.00 0.00 H new ATOM 0 HA ILE A 23 -2.647 -0.192 -7.925 1.00 0.00 H new ATOM 0 HB ILE A 23 -0.205 0.329 -6.310 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -3.149 -0.194 -5.875 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -1.784 -1.203 -5.438 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -1.084 2.356 -5.275 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -0.675 2.602 -6.990 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -2.376 2.422 -6.498 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -2.792 -0.188 -3.461 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -1.133 0.412 -3.693 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -2.519 1.436 -4.136 1.00 0.00 H new ATOM 336 N THR A 24 -2.637 2.109 -8.977 1.00 0.00 N ATOM 337 CA THR A 24 -2.695 3.266 -9.865 1.00 0.00 C ATOM 338 C THR A 24 -2.860 4.565 -9.079 1.00 0.00 C ATOM 339 O THR A 24 -3.872 4.777 -8.416 1.00 0.00 O ATOM 340 CB THR A 24 -3.844 3.115 -10.863 1.00 0.00 C ATOM 341 OG1 THR A 24 -3.864 1.808 -11.409 1.00 0.00 O ATOM 342 CG2 THR A 24 -3.770 4.093 -12.016 1.00 0.00 C ATOM 0 H THR A 24 -3.494 1.936 -8.452 1.00 0.00 H new ATOM 0 HA THR A 24 -1.751 3.313 -10.407 1.00 0.00 H new ATOM 0 HB THR A 24 -4.750 3.320 -10.293 1.00 0.00 H new ATOM 0 HG1 THR A 24 -4.607 1.730 -12.044 1.00 0.00 H new ATOM 0 HG21 THR A 24 -4.615 3.931 -12.685 1.00 0.00 H new ATOM 0 HG22 THR A 24 -3.802 5.112 -11.631 1.00 0.00 H new ATOM 0 HG23 THR A 24 -2.839 3.941 -12.563 1.00 0.00 H new ATOM 350 N LEU A 25 -1.850 5.425 -9.159 1.00 0.00 N ATOM 351 CA LEU A 25 -1.860 6.694 -8.465 1.00 0.00 C ATOM 352 C LEU A 25 -2.131 7.839 -9.440 1.00 0.00 C ATOM 353 O LEU A 25 -1.204 8.374 -10.049 1.00 0.00 O ATOM 354 CB LEU A 25 -0.509 6.876 -7.791 1.00 0.00 C ATOM 355 CG LEU A 25 -0.462 6.462 -6.320 1.00 0.00 C ATOM 356 CD1 LEU A 25 -0.340 4.952 -6.196 1.00 0.00 C ATOM 357 CD2 LEU A 25 0.687 7.149 -5.609 1.00 0.00 C ATOM 0 H LEU A 25 -1.006 5.256 -9.707 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.654 6.703 -7.719 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.235 6.299 -8.340 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.219 7.924 -7.868 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.393 6.773 -5.846 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -0.308 4.675 -5.142 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -1.199 4.477 -6.670 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.575 4.619 -6.687 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.704 6.842 -4.563 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.628 6.870 -6.084 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.557 8.230 -5.667 1.00 0.00 H new ATOM 369 N THR A 26 -3.401 8.215 -9.588 1.00 0.00 N ATOM 370 CA THR A 26 -3.776 9.296 -10.498 1.00 0.00 C ATOM 371 C THR A 26 -3.281 10.638 -9.964 1.00 0.00 C ATOM 372 O THR A 26 -3.776 11.131 -8.945 1.00 0.00 O ATOM 373 CB THR A 26 -5.290 9.343 -10.704 1.00 0.00 C ATOM 374 OG1 THR A 26 -5.798 8.050 -10.984 1.00 0.00 O ATOM 375 CG2 THR A 26 -5.709 10.254 -11.836 1.00 0.00 C ATOM 0 H THR A 26 -4.184 7.789 -9.092 1.00 0.00 H new ATOM 0 HA THR A 26 -3.305 9.100 -11.461 1.00 0.00 H new ATOM 0 HB THR A 26 -5.698 9.734 -9.772 1.00 0.00 H new ATOM 0 HG1 THR A 26 -6.394 7.768 -10.259 1.00 0.00 H new ATOM 0 HG21 THR A 26 -6.795 10.242 -11.929 1.00 0.00 H new ATOM 0 HG22 THR A 26 -5.374 11.270 -11.628 1.00 0.00 H new ATOM 0 HG23 THR A 26 -5.261 9.907 -12.767 1.00 0.00 H new ATOM 383 N PRO A 27 -2.288 11.227 -10.660 1.00 0.00 N ATOM 384 CA PRO A 27 -1.674 12.507 -10.295 1.00 0.00 C ATOM 385 C PRO A 27 -2.334 13.694 -10.972 1.00 0.00 C ATOM 386 O PRO A 27 -1.858 14.812 -10.849 1.00 0.00 O ATOM 387 CB PRO A 27 -0.280 12.326 -10.852 1.00 0.00 C ATOM 388 CG PRO A 27 -0.530 11.639 -12.145 1.00 0.00 C ATOM 389 CD PRO A 27 -1.660 10.679 -11.881 1.00 0.00 C ATOM 0 HA PRO A 27 -1.742 12.718 -9.228 1.00 0.00 H new ATOM 0 HB2 PRO A 27 0.227 13.281 -10.992 1.00 0.00 H new ATOM 0 HB3 PRO A 27 0.346 11.727 -10.190 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -0.797 12.354 -12.924 1.00 0.00 H new ATOM 0 HG3 PRO A 27 0.360 11.112 -12.487 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -2.362 10.644 -12.714 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -1.298 9.663 -11.726 1.00 0.00 H new ATOM 397 N ASN A 28 -3.396 13.402 -11.708 1.00 0.00 N ATOM 398 CA ASN A 28 -4.165 14.364 -12.473 1.00 0.00 C ATOM 399 C ASN A 28 -4.286 15.682 -11.739 1.00 0.00 C ATOM 400 O ASN A 28 -5.356 16.094 -11.297 1.00 0.00 O ATOM 401 CB ASN A 28 -5.558 13.808 -12.769 1.00 0.00 C ATOM 402 CG ASN A 28 -5.948 13.967 -14.224 1.00 0.00 C ATOM 403 OD1 ASN A 28 -5.092 14.108 -15.098 1.00 0.00 O ATOM 404 ND2 ASN A 28 -7.249 13.948 -14.492 1.00 0.00 N ATOM 0 H ASN A 28 -3.757 12.452 -11.790 1.00 0.00 H new ATOM 0 HA ASN A 28 -3.638 14.543 -13.410 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -5.589 12.752 -12.501 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -6.290 14.317 -12.142 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -7.573 14.053 -15.453 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -7.924 13.829 -13.736 1.00 0.00 H new ATOM 411 N GLY A 29 -3.147 16.316 -11.628 1.00 0.00 N ATOM 412 CA GLY A 29 -3.038 17.596 -10.953 1.00 0.00 C ATOM 413 C GLY A 29 -2.132 17.531 -9.741 1.00 0.00 C ATOM 414 O GLY A 29 -1.485 18.513 -9.375 1.00 0.00 O ATOM 0 H GLY A 29 -2.265 15.964 -12.001 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -2.655 18.341 -11.651 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -4.030 17.928 -10.645 1.00 0.00 H new ATOM 418 N ASN A 30 -2.088 16.357 -9.131 1.00 0.00 N ATOM 419 CA ASN A 30 -1.263 16.115 -7.954 1.00 0.00 C ATOM 420 C ASN A 30 0.000 15.358 -8.334 1.00 0.00 C ATOM 421 O ASN A 30 0.119 14.838 -9.442 1.00 0.00 O ATOM 422 CB ASN A 30 -2.048 15.313 -6.914 1.00 0.00 C ATOM 423 CG ASN A 30 -3.546 15.324 -7.168 1.00 0.00 C ATOM 424 OD1 ASN A 30 -4.299 15.967 -6.442 1.00 0.00 O ATOM 425 ND2 ASN A 30 -3.984 14.605 -8.194 1.00 0.00 N ATOM 0 H ASN A 30 -2.623 15.544 -9.437 1.00 0.00 H new ATOM 0 HA ASN A 30 -0.983 17.079 -7.529 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -1.692 14.283 -6.913 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -1.849 15.720 -5.923 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -4.981 14.572 -8.405 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -3.323 14.086 -8.772 1.00 0.00 H new ATOM 432 N THR A 31 0.943 15.298 -7.401 1.00 0.00 N ATOM 433 CA THR A 31 2.203 14.602 -7.624 1.00 0.00 C ATOM 434 C THR A 31 2.407 13.517 -6.578 1.00 0.00 C ATOM 435 O THR A 31 1.726 13.490 -5.554 1.00 0.00 O ATOM 436 CB THR A 31 3.370 15.591 -7.589 1.00 0.00 C ATOM 437 OG1 THR A 31 4.594 14.912 -7.373 1.00 0.00 O ATOM 438 CG2 THR A 31 3.230 16.641 -6.510 1.00 0.00 C ATOM 0 H THR A 31 0.857 15.725 -6.479 1.00 0.00 H new ATOM 0 HA THR A 31 2.167 14.134 -8.608 1.00 0.00 H new ATOM 0 HB THR A 31 3.360 16.087 -8.559 1.00 0.00 H new ATOM 0 HG1 THR A 31 5.329 15.560 -7.355 1.00 0.00 H new ATOM 0 HG21 THR A 31 4.090 17.310 -6.540 1.00 0.00 H new ATOM 0 HG22 THR A 31 2.318 17.215 -6.677 1.00 0.00 H new ATOM 0 HG23 THR A 31 3.181 16.156 -5.535 1.00 0.00 H new ATOM 446 N PHE A 32 3.346 12.619 -6.844 1.00 0.00 N ATOM 447 CA PHE A 32 3.642 11.523 -5.928 1.00 0.00 C ATOM 448 C PHE A 32 5.113 11.525 -5.528 1.00 0.00 C ATOM 449 O PHE A 32 5.993 11.773 -6.352 1.00 0.00 O ATOM 450 CB PHE A 32 3.286 10.183 -6.573 1.00 0.00 C ATOM 451 CG PHE A 32 3.483 9.004 -5.657 1.00 0.00 C ATOM 452 CD1 PHE A 32 3.304 9.131 -4.290 1.00 0.00 C ATOM 453 CD2 PHE A 32 3.856 7.774 -6.173 1.00 0.00 C ATOM 454 CE1 PHE A 32 3.492 8.049 -3.454 1.00 0.00 C ATOM 455 CE2 PHE A 32 4.044 6.692 -5.341 1.00 0.00 C ATOM 456 CZ PHE A 32 3.863 6.828 -3.981 1.00 0.00 C ATOM 0 H PHE A 32 3.918 12.627 -7.689 1.00 0.00 H new ATOM 0 HA PHE A 32 3.039 11.664 -5.031 1.00 0.00 H new ATOM 0 HB2 PHE A 32 2.246 10.210 -6.898 1.00 0.00 H new ATOM 0 HB3 PHE A 32 3.896 10.045 -7.466 1.00 0.00 H new ATOM 0 HD1 PHE A 32 3.015 10.085 -3.874 1.00 0.00 H new ATOM 0 HD2 PHE A 32 4.001 7.662 -7.237 1.00 0.00 H new ATOM 0 HE1 PHE A 32 3.349 8.157 -2.389 1.00 0.00 H new ATOM 0 HE2 PHE A 32 4.333 5.737 -5.754 1.00 0.00 H new ATOM 0 HZ PHE A 32 4.011 5.980 -3.329 1.00 0.00 H new ATOM 466 N ASN A 33 5.372 11.238 -4.257 1.00 0.00 N ATOM 467 CA ASN A 33 6.733 11.196 -3.742 1.00 0.00 C ATOM 468 C ASN A 33 7.137 9.764 -3.407 1.00 0.00 C ATOM 469 O ASN A 33 8.268 9.351 -3.663 1.00 0.00 O ATOM 470 CB ASN A 33 6.860 12.078 -2.499 1.00 0.00 C ATOM 471 CG ASN A 33 7.819 13.234 -2.704 1.00 0.00 C ATOM 472 OD1 ASN A 33 8.765 13.139 -3.485 1.00 0.00 O ATOM 473 ND2 ASN A 33 7.578 14.334 -2.001 1.00 0.00 N ATOM 0 H ASN A 33 4.654 11.031 -3.563 1.00 0.00 H new ATOM 0 HA ASN A 33 7.401 11.576 -4.515 1.00 0.00 H new ATOM 0 HB2 ASN A 33 5.878 12.468 -2.232 1.00 0.00 H new ATOM 0 HB3 ASN A 33 7.201 11.471 -1.660 1.00 0.00 H new ATOM 0 HD21 ASN A 33 8.189 15.145 -2.097 1.00 0.00 H new ATOM 0 HD22 ASN A 33 6.781 14.368 -1.365 1.00 0.00 H new ATOM 480 N GLY A 34 6.202 9.009 -2.837 1.00 0.00 N ATOM 481 CA GLY A 34 6.474 7.629 -2.479 1.00 0.00 C ATOM 482 C GLY A 34 5.809 7.219 -1.181 1.00 0.00 C ATOM 483 O GLY A 34 5.333 8.065 -0.422 1.00 0.00 O ATOM 0 H GLY A 34 5.259 9.330 -2.617 1.00 0.00 H new ATOM 0 HA2 GLY A 34 6.130 6.976 -3.281 1.00 0.00 H new ATOM 0 HA3 GLY A 34 7.551 7.486 -2.391 1.00 0.00 H new ATOM 487 N ILE A 35 5.780 5.915 -0.918 1.00 0.00 N ATOM 488 CA ILE A 35 5.180 5.390 0.295 1.00 0.00 C ATOM 489 C ILE A 35 6.252 5.120 1.340 1.00 0.00 C ATOM 490 O ILE A 35 6.857 4.047 1.362 1.00 0.00 O ATOM 491 CB ILE A 35 4.411 4.082 0.049 1.00 0.00 C ATOM 492 CG1 ILE A 35 3.794 4.057 -1.344 1.00 0.00 C ATOM 493 CG2 ILE A 35 3.336 3.892 1.109 1.00 0.00 C ATOM 494 CD1 ILE A 35 3.671 2.665 -1.930 1.00 0.00 C ATOM 0 H ILE A 35 6.169 5.203 -1.536 1.00 0.00 H new ATOM 0 HA ILE A 35 4.479 6.147 0.646 1.00 0.00 H new ATOM 0 HB ILE A 35 5.121 3.258 0.116 1.00 0.00 H new ATOM 0 HG12 ILE A 35 2.805 4.513 -1.302 1.00 0.00 H new ATOM 0 HG13 ILE A 35 4.400 4.670 -2.011 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.800 2.962 0.921 1.00 0.00 H new ATOM 0 HG22 ILE A 35 3.800 3.851 2.094 1.00 0.00 H new ATOM 0 HG23 ILE A 35 2.637 4.727 1.072 1.00 0.00 H new ATOM 0 HD11 ILE A 35 3.224 2.726 -2.922 1.00 0.00 H new ATOM 0 HD12 ILE A 35 4.660 2.213 -2.005 1.00 0.00 H new ATOM 0 HD13 ILE A 35 3.041 2.053 -1.285 1.00 0.00 H new ATOM 506 N SER A 36 6.481 6.092 2.207 1.00 0.00 N ATOM 507 CA SER A 36 7.486 5.951 3.257 1.00 0.00 C ATOM 508 C SER A 36 7.079 4.867 4.236 1.00 0.00 C ATOM 509 O SER A 36 7.903 4.364 4.999 1.00 0.00 O ATOM 510 CB SER A 36 7.693 7.278 3.989 1.00 0.00 C ATOM 511 OG SER A 36 9.047 7.694 3.917 1.00 0.00 O ATOM 0 H SER A 36 5.989 6.985 2.208 1.00 0.00 H new ATOM 0 HA SER A 36 8.429 5.665 2.792 1.00 0.00 H new ATOM 0 HB2 SER A 36 7.051 8.042 3.552 1.00 0.00 H new ATOM 0 HB3 SER A 36 7.397 7.171 5.033 1.00 0.00 H new ATOM 0 HG SER A 36 9.153 8.545 4.391 1.00 0.00 H new ATOM 517 N GLU A 37 5.814 4.483 4.184 1.00 0.00 N ATOM 518 CA GLU A 37 5.320 3.432 5.035 1.00 0.00 C ATOM 519 C GLU A 37 6.115 2.167 4.743 1.00 0.00 C ATOM 520 O GLU A 37 6.349 1.339 5.623 1.00 0.00 O ATOM 521 CB GLU A 37 3.844 3.221 4.750 1.00 0.00 C ATOM 522 CG GLU A 37 2.980 3.131 5.993 1.00 0.00 C ATOM 523 CD GLU A 37 1.864 4.152 5.982 1.00 0.00 C ATOM 524 OE1 GLU A 37 1.369 4.476 4.879 1.00 0.00 O ATOM 525 OE2 GLU A 37 1.484 4.630 7.072 1.00 0.00 O ATOM 0 H GLU A 37 5.117 4.888 3.559 1.00 0.00 H new ATOM 0 HA GLU A 37 5.436 3.692 6.087 1.00 0.00 H new ATOM 0 HB2 GLU A 37 3.484 4.041 4.129 1.00 0.00 H new ATOM 0 HB3 GLU A 37 3.724 2.306 4.170 1.00 0.00 H new ATOM 0 HG2 GLU A 37 2.555 2.130 6.067 1.00 0.00 H new ATOM 0 HG3 GLU A 37 3.600 3.281 6.877 1.00 0.00 H new ATOM 532 N LEU A 38 6.550 2.059 3.490 1.00 0.00 N ATOM 533 CA LEU A 38 7.351 0.940 3.040 1.00 0.00 C ATOM 534 C LEU A 38 8.400 1.421 2.037 1.00 0.00 C ATOM 535 O LEU A 38 8.150 1.482 0.835 1.00 0.00 O ATOM 536 CB LEU A 38 6.474 -0.146 2.416 1.00 0.00 C ATOM 537 CG LEU A 38 5.103 0.303 1.921 1.00 0.00 C ATOM 538 CD1 LEU A 38 4.656 -0.564 0.759 1.00 0.00 C ATOM 539 CD2 LEU A 38 4.086 0.243 3.050 1.00 0.00 C ATOM 0 H LEU A 38 6.354 2.748 2.764 1.00 0.00 H new ATOM 0 HA LEU A 38 7.856 0.508 3.904 1.00 0.00 H new ATOM 0 HB2 LEU A 38 7.015 -0.585 1.578 1.00 0.00 H new ATOM 0 HB3 LEU A 38 6.331 -0.937 3.152 1.00 0.00 H new ATOM 0 HG LEU A 38 5.177 1.335 1.578 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.676 -0.234 0.414 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.375 -0.479 -0.056 1.00 0.00 H new ATOM 0 HD13 LEU A 38 4.596 -1.603 1.083 1.00 0.00 H new ATOM 0 HD21 LEU A 38 3.113 0.566 2.681 1.00 0.00 H new ATOM 0 HD22 LEU A 38 4.012 -0.780 3.419 1.00 0.00 H new ATOM 0 HD23 LEU A 38 4.403 0.899 3.860 1.00 0.00 H new ATOM 551 N GLN A 39 9.567 1.788 2.563 1.00 0.00 N ATOM 552 CA GLN A 39 10.674 2.299 1.785 1.00 0.00 C ATOM 553 C GLN A 39 10.703 1.698 0.401 1.00 0.00 C ATOM 554 O GLN A 39 11.280 0.642 0.153 1.00 0.00 O ATOM 555 CB GLN A 39 11.997 2.025 2.501 1.00 0.00 C ATOM 556 CG GLN A 39 11.977 2.385 3.977 1.00 0.00 C ATOM 557 CD GLN A 39 13.308 2.929 4.463 1.00 0.00 C ATOM 558 OE1 GLN A 39 13.403 4.086 4.874 1.00 0.00 O ATOM 559 NE2 GLN A 39 14.338 2.095 4.419 1.00 0.00 N ATOM 0 H GLN A 39 9.765 1.734 3.562 1.00 0.00 H new ATOM 0 HA GLN A 39 10.536 3.375 1.682 1.00 0.00 H new ATOM 0 HB2 GLN A 39 12.245 0.969 2.397 1.00 0.00 H new ATOM 0 HB3 GLN A 39 12.790 2.588 2.009 1.00 0.00 H new ATOM 0 HG2 GLN A 39 11.198 3.127 4.156 1.00 0.00 H new ATOM 0 HG3 GLN A 39 11.715 1.501 4.559 1.00 0.00 H new ATOM 0 HE21 GLN A 39 14.210 1.145 4.070 1.00 0.00 H new ATOM 0 HE22 GLN A 39 15.258 2.403 4.734 1.00 0.00 H new ATOM 568 N SER A 40 10.049 2.441 -0.461 1.00 0.00 N ATOM 569 CA SER A 40 9.886 2.161 -1.894 1.00 0.00 C ATOM 570 C SER A 40 10.433 0.810 -2.317 1.00 0.00 C ATOM 571 O SER A 40 9.805 0.092 -3.091 1.00 0.00 O ATOM 572 CB SER A 40 10.557 3.263 -2.719 1.00 0.00 C ATOM 573 OG SER A 40 10.103 4.544 -2.326 1.00 0.00 O ATOM 0 H SER A 40 9.587 3.306 -0.180 1.00 0.00 H new ATOM 0 HA SER A 40 8.812 2.137 -2.080 1.00 0.00 H new ATOM 0 HB2 SER A 40 11.639 3.204 -2.598 1.00 0.00 H new ATOM 0 HB3 SER A 40 10.346 3.108 -3.777 1.00 0.00 H new ATOM 0 HG SER A 40 10.862 5.078 -2.012 1.00 0.00 H new ATOM 579 N SER A 41 11.597 0.470 -1.815 1.00 0.00 N ATOM 580 CA SER A 41 12.216 -0.804 -2.149 1.00 0.00 C ATOM 581 C SER A 41 11.225 -1.945 -1.931 1.00 0.00 C ATOM 582 O SER A 41 11.350 -3.014 -2.529 1.00 0.00 O ATOM 583 CB SER A 41 13.479 -1.022 -1.311 1.00 0.00 C ATOM 584 OG SER A 41 13.528 -2.338 -0.784 1.00 0.00 O ATOM 0 H SER A 41 12.138 1.052 -1.175 1.00 0.00 H new ATOM 0 HA SER A 41 12.502 -0.788 -3.201 1.00 0.00 H new ATOM 0 HB2 SER A 41 14.361 -0.841 -1.925 1.00 0.00 H new ATOM 0 HB3 SER A 41 13.505 -0.300 -0.495 1.00 0.00 H new ATOM 0 HG SER A 41 12.829 -2.445 -0.106 1.00 0.00 H new ATOM 590 N GLN A 42 10.238 -1.704 -1.075 1.00 0.00 N ATOM 591 CA GLN A 42 9.217 -2.683 -0.770 1.00 0.00 C ATOM 592 C GLN A 42 8.352 -2.969 -1.994 1.00 0.00 C ATOM 593 O GLN A 42 7.815 -4.064 -2.160 1.00 0.00 O ATOM 594 CB GLN A 42 8.359 -2.142 0.359 1.00 0.00 C ATOM 595 CG GLN A 42 9.156 -1.545 1.511 1.00 0.00 C ATOM 596 CD GLN A 42 10.399 -2.345 1.864 1.00 0.00 C ATOM 597 OE1 GLN A 42 11.104 -2.846 0.988 1.00 0.00 O ATOM 598 NE2 GLN A 42 10.676 -2.464 3.157 1.00 0.00 N ATOM 0 H GLN A 42 10.129 -0.821 -0.576 1.00 0.00 H new ATOM 0 HA GLN A 42 9.689 -3.619 -0.472 1.00 0.00 H new ATOM 0 HB2 GLN A 42 7.690 -1.380 -0.040 1.00 0.00 H new ATOM 0 HB3 GLN A 42 7.732 -2.947 0.743 1.00 0.00 H new ATOM 0 HG2 GLN A 42 9.449 -0.528 1.251 1.00 0.00 H new ATOM 0 HG3 GLN A 42 8.515 -1.477 2.390 1.00 0.00 H new ATOM 0 HE21 GLN A 42 10.065 -2.033 3.851 1.00 0.00 H new ATOM 0 HE22 GLN A 42 11.499 -2.986 3.456 1.00 0.00 H new ATOM 607 N TYR A 43 8.223 -1.962 -2.838 1.00 0.00 N ATOM 608 CA TYR A 43 7.428 -2.058 -4.056 1.00 0.00 C ATOM 609 C TYR A 43 8.197 -1.526 -5.255 1.00 0.00 C ATOM 610 O TYR A 43 9.389 -1.226 -5.173 1.00 0.00 O ATOM 611 CB TYR A 43 6.120 -1.281 -3.890 1.00 0.00 C ATOM 612 CG TYR A 43 6.284 0.031 -3.168 1.00 0.00 C ATOM 613 CD1 TYR A 43 6.186 0.096 -1.786 1.00 0.00 C ATOM 614 CD2 TYR A 43 6.533 1.203 -3.867 1.00 0.00 C ATOM 615 CE1 TYR A 43 6.333 1.296 -1.118 1.00 0.00 C ATOM 616 CE2 TYR A 43 6.684 2.406 -3.207 1.00 0.00 C ATOM 617 CZ TYR A 43 6.581 2.446 -1.831 1.00 0.00 C ATOM 618 OH TYR A 43 6.736 3.641 -1.170 1.00 0.00 O ATOM 0 H TYR A 43 8.665 -1.053 -2.702 1.00 0.00 H new ATOM 0 HA TYR A 43 7.204 -3.110 -4.233 1.00 0.00 H new ATOM 0 HB2 TYR A 43 5.692 -1.093 -4.875 1.00 0.00 H new ATOM 0 HB3 TYR A 43 5.407 -1.899 -3.345 1.00 0.00 H new ATOM 0 HD1 TYR A 43 5.992 -0.805 -1.224 1.00 0.00 H new ATOM 0 HD2 TYR A 43 6.610 1.174 -4.944 1.00 0.00 H new ATOM 0 HE1 TYR A 43 6.254 1.331 -0.041 1.00 0.00 H new ATOM 0 HE2 TYR A 43 6.881 3.310 -3.764 1.00 0.00 H new ATOM 0 HH TYR A 43 7.170 3.483 -0.306 1.00 0.00 H new ATOM 628 N THR A 44 7.490 -1.409 -6.364 1.00 0.00 N ATOM 629 CA THR A 44 8.053 -0.913 -7.602 1.00 0.00 C ATOM 630 C THR A 44 7.234 0.265 -8.089 1.00 0.00 C ATOM 631 O THR A 44 6.294 0.113 -8.874 1.00 0.00 O ATOM 632 CB THR A 44 8.077 -2.014 -8.663 1.00 0.00 C ATOM 633 OG1 THR A 44 8.057 -3.294 -8.058 1.00 0.00 O ATOM 634 CG2 THR A 44 9.289 -1.950 -9.565 1.00 0.00 C ATOM 0 H THR A 44 6.503 -1.658 -6.429 1.00 0.00 H new ATOM 0 HA THR A 44 9.079 -0.593 -7.422 1.00 0.00 H new ATOM 0 HB THR A 44 7.186 -1.850 -9.269 1.00 0.00 H new ATOM 0 HG1 THR A 44 8.071 -3.985 -8.753 1.00 0.00 H new ATOM 0 HG21 THR A 44 9.243 -2.759 -10.294 1.00 0.00 H new ATOM 0 HG22 THR A 44 9.305 -0.993 -10.086 1.00 0.00 H new ATOM 0 HG23 THR A 44 10.194 -2.052 -8.966 1.00 0.00 H new ATOM 642 N LYS A 45 7.583 1.433 -7.587 1.00 0.00 N ATOM 643 CA LYS A 45 6.882 2.661 -7.931 1.00 0.00 C ATOM 644 C LYS A 45 7.133 3.049 -9.383 1.00 0.00 C ATOM 645 O LYS A 45 8.129 2.655 -9.987 1.00 0.00 O ATOM 646 CB LYS A 45 7.304 3.817 -7.017 1.00 0.00 C ATOM 647 CG LYS A 45 8.274 3.432 -5.910 1.00 0.00 C ATOM 648 CD LYS A 45 8.545 4.600 -4.977 1.00 0.00 C ATOM 649 CE LYS A 45 9.828 5.324 -5.349 1.00 0.00 C ATOM 650 NZ LYS A 45 10.041 6.541 -4.518 1.00 0.00 N ATOM 0 H LYS A 45 8.355 1.561 -6.933 1.00 0.00 H new ATOM 0 HA LYS A 45 5.818 2.471 -7.792 1.00 0.00 H new ATOM 0 HB2 LYS A 45 7.761 4.596 -7.627 1.00 0.00 H new ATOM 0 HB3 LYS A 45 6.411 4.249 -6.565 1.00 0.00 H new ATOM 0 HG2 LYS A 45 7.865 2.597 -5.341 1.00 0.00 H new ATOM 0 HG3 LYS A 45 9.211 3.090 -6.349 1.00 0.00 H new ATOM 0 HD2 LYS A 45 7.709 5.298 -5.014 1.00 0.00 H new ATOM 0 HD3 LYS A 45 8.614 4.239 -3.951 1.00 0.00 H new ATOM 0 HE2 LYS A 45 10.674 4.648 -5.226 1.00 0.00 H new ATOM 0 HE3 LYS A 45 9.794 5.605 -6.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 10.900 7.033 -4.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 9.222 7.175 -4.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 10.150 6.266 -3.521 1.00 0.00 H new ATOM 664 N GLY A 46 6.207 3.827 -9.927 1.00 0.00 N ATOM 665 CA GLY A 46 6.313 4.275 -11.299 1.00 0.00 C ATOM 666 C GLY A 46 5.460 5.498 -11.559 1.00 0.00 C ATOM 667 O GLY A 46 4.313 5.379 -11.993 1.00 0.00 O ATOM 0 H GLY A 46 5.377 4.158 -9.436 1.00 0.00 H new ATOM 0 HA2 GLY A 46 7.354 4.503 -11.527 1.00 0.00 H new ATOM 0 HA3 GLY A 46 6.008 3.471 -11.969 1.00 0.00 H new ATOM 671 N THR A 47 6.024 6.674 -11.276 1.00 0.00 N ATOM 672 CA THR A 47 5.336 7.955 -11.463 1.00 0.00 C ATOM 673 C THR A 47 3.879 7.780 -11.884 1.00 0.00 C ATOM 674 O THR A 47 3.594 7.375 -13.011 1.00 0.00 O ATOM 675 CB THR A 47 6.076 8.798 -12.503 1.00 0.00 C ATOM 676 OG1 THR A 47 7.432 8.976 -12.135 1.00 0.00 O ATOM 677 CG2 THR A 47 5.470 10.173 -12.701 1.00 0.00 C ATOM 0 H THR A 47 6.972 6.766 -10.910 1.00 0.00 H new ATOM 0 HA THR A 47 5.338 8.464 -10.499 1.00 0.00 H new ATOM 0 HB THR A 47 5.991 8.242 -13.437 1.00 0.00 H new ATOM 0 HG1 THR A 47 7.887 9.516 -12.814 1.00 0.00 H new ATOM 0 HG21 THR A 47 6.043 10.718 -13.451 1.00 0.00 H new ATOM 0 HG22 THR A 47 4.438 10.071 -13.036 1.00 0.00 H new ATOM 0 HG23 THR A 47 5.493 10.720 -11.759 1.00 0.00 H new ATOM 685 N ASN A 48 2.964 8.097 -10.969 1.00 0.00 N ATOM 686 CA ASN A 48 1.528 7.985 -11.228 1.00 0.00 C ATOM 687 C ASN A 48 1.010 6.590 -10.892 1.00 0.00 C ATOM 688 O ASN A 48 -0.193 6.355 -10.879 1.00 0.00 O ATOM 689 CB ASN A 48 1.203 8.330 -12.685 1.00 0.00 C ATOM 690 CG ASN A 48 2.008 9.506 -13.207 1.00 0.00 C ATOM 691 OD1 ASN A 48 2.224 9.634 -14.413 1.00 0.00 O ATOM 692 ND2 ASN A 48 2.452 10.372 -12.306 1.00 0.00 N ATOM 0 H ASN A 48 3.194 8.436 -10.035 1.00 0.00 H new ATOM 0 HA ASN A 48 1.025 8.702 -10.580 1.00 0.00 H new ATOM 0 HB2 ASN A 48 1.395 7.458 -13.311 1.00 0.00 H new ATOM 0 HB3 ASN A 48 0.140 8.557 -12.771 1.00 0.00 H new ATOM 0 HD21 ASN A 48 2.996 11.183 -12.602 1.00 0.00 H new ATOM 0 HD22 ASN A 48 2.250 10.227 -11.317 1.00 0.00 H new ATOM 699 N GLU A 49 1.924 5.666 -10.618 1.00 0.00 N ATOM 700 CA GLU A 49 1.546 4.300 -10.278 1.00 0.00 C ATOM 701 C GLU A 49 2.584 3.647 -9.375 1.00 0.00 C ATOM 702 O GLU A 49 3.694 4.150 -9.230 1.00 0.00 O ATOM 703 CB GLU A 49 1.368 3.464 -11.547 1.00 0.00 C ATOM 704 CG GLU A 49 -0.036 3.516 -12.120 1.00 0.00 C ATOM 705 CD GLU A 49 -0.047 3.710 -13.622 1.00 0.00 C ATOM 706 OE1 GLU A 49 0.999 3.473 -14.260 1.00 0.00 O ATOM 707 OE2 GLU A 49 -1.101 4.099 -14.164 1.00 0.00 O ATOM 0 H GLU A 49 2.929 5.838 -10.625 1.00 0.00 H new ATOM 0 HA GLU A 49 0.600 4.344 -9.739 1.00 0.00 H new ATOM 0 HB2 GLU A 49 2.072 3.812 -12.303 1.00 0.00 H new ATOM 0 HB3 GLU A 49 1.623 2.427 -11.327 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -0.559 2.592 -11.873 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -0.587 4.330 -11.648 1.00 0.00 H new ATOM 714 N VAL A 50 2.210 2.524 -8.774 1.00 0.00 N ATOM 715 CA VAL A 50 3.105 1.788 -7.883 1.00 0.00 C ATOM 716 C VAL A 50 2.647 0.342 -7.735 1.00 0.00 C ATOM 717 O VAL A 50 1.457 0.076 -7.573 1.00 0.00 O ATOM 718 CB VAL A 50 3.177 2.421 -6.477 1.00 0.00 C ATOM 719 CG1 VAL A 50 4.522 2.130 -5.829 1.00 0.00 C ATOM 720 CG2 VAL A 50 2.923 3.920 -6.539 1.00 0.00 C ATOM 0 H VAL A 50 1.289 2.100 -8.887 1.00 0.00 H new ATOM 0 HA VAL A 50 4.095 1.828 -8.338 1.00 0.00 H new ATOM 0 HB VAL A 50 2.395 1.973 -5.864 1.00 0.00 H new ATOM 0 HG11 VAL A 50 4.555 2.584 -4.839 1.00 0.00 H new ATOM 0 HG12 VAL A 50 4.657 1.052 -5.739 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.320 2.545 -6.445 1.00 0.00 H new ATOM 0 HG21 VAL A 50 2.980 4.340 -5.535 1.00 0.00 H new ATOM 0 HG22 VAL A 50 3.675 4.391 -7.172 1.00 0.00 H new ATOM 0 HG23 VAL A 50 1.932 4.104 -6.954 1.00 0.00 H new ATOM 730 N THR A 51 3.590 -0.586 -7.801 1.00 0.00 N ATOM 731 CA THR A 51 3.257 -2.001 -7.677 1.00 0.00 C ATOM 732 C THR A 51 3.880 -2.616 -6.425 1.00 0.00 C ATOM 733 O THR A 51 5.095 -2.617 -6.259 1.00 0.00 O ATOM 734 CB THR A 51 3.712 -2.757 -8.924 1.00 0.00 C ATOM 735 OG1 THR A 51 2.924 -3.917 -9.124 1.00 0.00 O ATOM 736 CG2 THR A 51 5.161 -3.191 -8.878 1.00 0.00 C ATOM 0 H THR A 51 4.582 -0.390 -7.938 1.00 0.00 H new ATOM 0 HA THR A 51 2.174 -2.085 -7.582 1.00 0.00 H new ATOM 0 HB THR A 51 3.592 -2.048 -9.743 1.00 0.00 H new ATOM 0 HG1 THR A 51 3.149 -4.587 -8.445 1.00 0.00 H new ATOM 0 HG21 THR A 51 5.411 -3.721 -9.797 1.00 0.00 H new ATOM 0 HG22 THR A 51 5.801 -2.314 -8.780 1.00 0.00 H new ATOM 0 HG23 THR A 51 5.316 -3.851 -8.024 1.00 0.00 H new ATOM 744 N LEU A 52 3.034 -3.157 -5.559 1.00 0.00 N ATOM 745 CA LEU A 52 3.500 -3.792 -4.331 1.00 0.00 C ATOM 746 C LEU A 52 4.233 -5.076 -4.666 1.00 0.00 C ATOM 747 O LEU A 52 3.804 -5.831 -5.539 1.00 0.00 O ATOM 748 CB LEU A 52 2.318 -4.110 -3.415 1.00 0.00 C ATOM 749 CG LEU A 52 2.259 -3.293 -2.131 1.00 0.00 C ATOM 750 CD1 LEU A 52 0.888 -3.410 -1.485 1.00 0.00 C ATOM 751 CD2 LEU A 52 3.348 -3.733 -1.165 1.00 0.00 C ATOM 0 H LEU A 52 2.022 -3.170 -5.683 1.00 0.00 H new ATOM 0 HA LEU A 52 4.174 -3.106 -3.818 1.00 0.00 H new ATOM 0 HB2 LEU A 52 1.394 -3.951 -3.971 1.00 0.00 H new ATOM 0 HB3 LEU A 52 2.355 -5.167 -3.153 1.00 0.00 H new ATOM 0 HG LEU A 52 2.430 -2.246 -2.383 1.00 0.00 H new ATOM 0 HD11 LEU A 52 0.866 -2.819 -0.569 1.00 0.00 H new ATOM 0 HD12 LEU A 52 0.128 -3.040 -2.174 1.00 0.00 H new ATOM 0 HD13 LEU A 52 0.685 -4.454 -1.248 1.00 0.00 H new ATOM 0 HD21 LEU A 52 3.289 -3.137 -0.254 1.00 0.00 H new ATOM 0 HD22 LEU A 52 3.212 -4.786 -0.919 1.00 0.00 H new ATOM 0 HD23 LEU A 52 4.324 -3.591 -1.628 1.00 0.00 H new ATOM 763 N LEU A 53 5.341 -5.326 -3.984 1.00 0.00 N ATOM 764 CA LEU A 53 6.109 -6.526 -4.248 1.00 0.00 C ATOM 765 C LEU A 53 5.930 -7.564 -3.145 1.00 0.00 C ATOM 766 O LEU A 53 6.412 -7.399 -2.026 1.00 0.00 O ATOM 767 CB LEU A 53 7.592 -6.191 -4.427 1.00 0.00 C ATOM 768 CG LEU A 53 8.203 -6.655 -5.749 1.00 0.00 C ATOM 769 CD1 LEU A 53 9.644 -6.175 -5.867 1.00 0.00 C ATOM 770 CD2 LEU A 53 8.131 -8.168 -5.869 1.00 0.00 C ATOM 0 H LEU A 53 5.721 -4.722 -3.255 1.00 0.00 H new ATOM 0 HA LEU A 53 5.731 -6.957 -5.175 1.00 0.00 H new ATOM 0 HB2 LEU A 53 7.718 -5.111 -4.345 1.00 0.00 H new ATOM 0 HB3 LEU A 53 8.152 -6.641 -3.607 1.00 0.00 H new ATOM 0 HG LEU A 53 7.628 -6.220 -6.566 1.00 0.00 H new ATOM 0 HD11 LEU A 53 10.064 -6.514 -6.814 1.00 0.00 H new ATOM 0 HD12 LEU A 53 9.669 -5.086 -5.828 1.00 0.00 H new ATOM 0 HD13 LEU A 53 10.231 -6.581 -5.043 1.00 0.00 H new ATOM 0 HD21 LEU A 53 8.571 -8.479 -6.817 1.00 0.00 H new ATOM 0 HD22 LEU A 53 8.681 -8.625 -5.046 1.00 0.00 H new ATOM 0 HD23 LEU A 53 7.089 -8.487 -5.830 1.00 0.00 H new ATOM 782 N ALA A 54 5.245 -8.644 -3.487 1.00 0.00 N ATOM 783 CA ALA A 54 4.988 -9.735 -2.553 1.00 0.00 C ATOM 784 C ALA A 54 6.225 -10.113 -1.743 1.00 0.00 C ATOM 785 O ALA A 54 6.124 -10.841 -0.761 1.00 0.00 O ATOM 786 CB ALA A 54 4.470 -10.950 -3.306 1.00 0.00 C ATOM 0 H ALA A 54 4.852 -8.791 -4.416 1.00 0.00 H new ATOM 0 HA ALA A 54 4.234 -9.386 -1.847 1.00 0.00 H new ATOM 0 HB1 ALA A 54 4.280 -11.761 -2.602 1.00 0.00 H new ATOM 0 HB2 ALA A 54 3.544 -10.692 -3.820 1.00 0.00 H new ATOM 0 HB3 ALA A 54 5.214 -11.270 -4.036 1.00 0.00 H new ATOM 792 N SER A 55 7.389 -9.626 -2.152 1.00 0.00 N ATOM 793 CA SER A 55 8.625 -9.937 -1.445 1.00 0.00 C ATOM 794 C SER A 55 8.664 -9.236 -0.097 1.00 0.00 C ATOM 795 O SER A 55 8.973 -9.848 0.921 1.00 0.00 O ATOM 796 CB SER A 55 9.842 -9.542 -2.283 1.00 0.00 C ATOM 797 OG SER A 55 10.877 -10.501 -2.162 1.00 0.00 O ATOM 0 H SER A 55 7.504 -9.019 -2.963 1.00 0.00 H new ATOM 0 HA SER A 55 8.656 -11.013 -1.276 1.00 0.00 H new ATOM 0 HB2 SER A 55 9.551 -9.446 -3.329 1.00 0.00 H new ATOM 0 HB3 SER A 55 10.207 -8.566 -1.963 1.00 0.00 H new ATOM 0 HG SER A 55 11.643 -10.226 -2.708 1.00 0.00 H new ATOM 803 N TYR A 56 8.334 -7.956 -0.100 1.00 0.00 N ATOM 804 CA TYR A 56 8.315 -7.179 1.124 1.00 0.00 C ATOM 805 C TYR A 56 7.121 -7.579 1.961 1.00 0.00 C ATOM 806 O TYR A 56 7.247 -8.021 3.106 1.00 0.00 O ATOM 807 CB TYR A 56 8.227 -5.687 0.812 1.00 0.00 C ATOM 808 CG TYR A 56 7.810 -4.847 2.001 1.00 0.00 C ATOM 809 CD1 TYR A 56 8.735 -4.479 2.970 1.00 0.00 C ATOM 810 CD2 TYR A 56 6.496 -4.423 2.151 1.00 0.00 C ATOM 811 CE1 TYR A 56 8.360 -3.713 4.057 1.00 0.00 C ATOM 812 CE2 TYR A 56 6.116 -3.654 3.234 1.00 0.00 C ATOM 813 CZ TYR A 56 7.051 -3.300 4.183 1.00 0.00 C ATOM 814 OH TYR A 56 6.675 -2.536 5.263 1.00 0.00 O ATOM 0 H TYR A 56 8.076 -7.434 -0.937 1.00 0.00 H new ATOM 0 HA TYR A 56 9.237 -7.374 1.671 1.00 0.00 H new ATOM 0 HB2 TYR A 56 9.197 -5.341 0.454 1.00 0.00 H new ATOM 0 HB3 TYR A 56 7.515 -5.534 0.001 1.00 0.00 H new ATOM 0 HD1 TYR A 56 9.763 -4.796 2.872 1.00 0.00 H new ATOM 0 HD2 TYR A 56 5.760 -4.699 1.410 1.00 0.00 H new ATOM 0 HE1 TYR A 56 9.089 -3.439 4.805 1.00 0.00 H new ATOM 0 HE2 TYR A 56 5.090 -3.331 3.337 1.00 0.00 H new ATOM 0 HH TYR A 56 6.930 -1.603 5.108 1.00 0.00 H new ATOM 824 N LEU A 57 5.955 -7.410 1.368 1.00 0.00 N ATOM 825 CA LEU A 57 4.710 -7.737 2.032 1.00 0.00 C ATOM 826 C LEU A 57 4.752 -9.139 2.620 1.00 0.00 C ATOM 827 O LEU A 57 4.268 -9.368 3.729 1.00 0.00 O ATOM 828 CB LEU A 57 3.541 -7.598 1.060 1.00 0.00 C ATOM 829 CG LEU A 57 2.343 -6.825 1.609 1.00 0.00 C ATOM 830 CD1 LEU A 57 2.802 -5.570 2.340 1.00 0.00 C ATOM 831 CD2 LEU A 57 1.382 -6.458 0.486 1.00 0.00 C ATOM 0 H LEU A 57 5.845 -7.046 0.422 1.00 0.00 H new ATOM 0 HA LEU A 57 4.569 -7.035 2.854 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.894 -7.100 0.157 1.00 0.00 H new ATOM 0 HB3 LEU A 57 3.210 -8.594 0.766 1.00 0.00 H new ATOM 0 HG LEU A 57 1.821 -7.467 2.318 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.934 -5.034 2.723 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.451 -5.849 3.170 1.00 0.00 H new ATOM 0 HD13 LEU A 57 3.350 -4.927 1.651 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.535 -5.908 0.897 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.898 -5.836 -0.246 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.024 -7.367 0.002 1.00 0.00 H new ATOM 843 N ASN A 58 5.333 -10.080 1.884 1.00 0.00 N ATOM 844 CA ASN A 58 5.427 -11.451 2.363 1.00 0.00 C ATOM 845 C ASN A 58 6.333 -11.537 3.588 1.00 0.00 C ATOM 846 O ASN A 58 6.139 -12.386 4.456 1.00 0.00 O ATOM 847 CB ASN A 58 5.952 -12.379 1.265 1.00 0.00 C ATOM 848 CG ASN A 58 6.169 -13.794 1.762 1.00 0.00 C ATOM 849 OD1 ASN A 58 5.538 -14.234 2.722 1.00 0.00 O ATOM 850 ND2 ASN A 58 7.069 -14.518 1.105 1.00 0.00 N ATOM 0 H ASN A 58 5.742 -9.920 0.963 1.00 0.00 H new ATOM 0 HA ASN A 58 4.424 -11.772 2.643 1.00 0.00 H new ATOM 0 HB2 ASN A 58 5.245 -12.392 0.435 1.00 0.00 H new ATOM 0 HB3 ASN A 58 6.891 -11.984 0.878 1.00 0.00 H new ATOM 0 HD21 ASN A 58 7.259 -15.478 1.392 1.00 0.00 H new ATOM 0 HD22 ASN A 58 7.570 -14.113 0.314 1.00 0.00 H new ATOM 857 N THR A 59 7.329 -10.656 3.646 1.00 0.00 N ATOM 858 CA THR A 59 8.272 -10.645 4.757 1.00 0.00 C ATOM 859 C THR A 59 7.692 -9.935 5.974 1.00 0.00 C ATOM 860 O THR A 59 8.087 -10.216 7.106 1.00 0.00 O ATOM 861 CB THR A 59 9.587 -9.984 4.341 1.00 0.00 C ATOM 862 OG1 THR A 59 9.380 -8.634 3.972 1.00 0.00 O ATOM 863 CG2 THR A 59 10.263 -10.679 3.178 1.00 0.00 C ATOM 0 H THR A 59 7.502 -9.943 2.938 1.00 0.00 H new ATOM 0 HA THR A 59 8.468 -11.682 5.031 1.00 0.00 H new ATOM 0 HB THR A 59 10.234 -10.057 5.215 1.00 0.00 H new ATOM 0 HG1 THR A 59 8.421 -8.472 3.848 1.00 0.00 H new ATOM 0 HG21 THR A 59 11.190 -10.160 2.933 1.00 0.00 H new ATOM 0 HG22 THR A 59 10.486 -11.711 3.450 1.00 0.00 H new ATOM 0 HG23 THR A 59 9.601 -10.667 2.312 1.00 0.00 H new ATOM 871 N LEU A 60 6.757 -9.019 5.742 1.00 0.00 N ATOM 872 CA LEU A 60 6.130 -8.278 6.835 1.00 0.00 C ATOM 873 C LEU A 60 5.909 -9.177 8.051 1.00 0.00 C ATOM 874 O LEU A 60 5.450 -10.310 7.923 1.00 0.00 O ATOM 875 CB LEU A 60 4.793 -7.685 6.381 1.00 0.00 C ATOM 876 CG LEU A 60 4.878 -6.321 5.689 1.00 0.00 C ATOM 877 CD1 LEU A 60 3.524 -5.631 5.713 1.00 0.00 C ATOM 878 CD2 LEU A 60 5.933 -5.443 6.349 1.00 0.00 C ATOM 0 H LEU A 60 6.417 -8.772 4.813 1.00 0.00 H new ATOM 0 HA LEU A 60 6.803 -7.469 7.119 1.00 0.00 H new ATOM 0 HB2 LEU A 60 4.316 -8.389 5.700 1.00 0.00 H new ATOM 0 HB3 LEU A 60 4.143 -7.592 7.251 1.00 0.00 H new ATOM 0 HG LEU A 60 5.170 -6.482 4.651 1.00 0.00 H new ATOM 0 HD11 LEU A 60 3.600 -4.663 5.218 1.00 0.00 H new ATOM 0 HD12 LEU A 60 2.792 -6.248 5.193 1.00 0.00 H new ATOM 0 HD13 LEU A 60 3.208 -5.486 6.746 1.00 0.00 H new ATOM 0 HD21 LEU A 60 5.975 -4.480 5.840 1.00 0.00 H new ATOM 0 HD22 LEU A 60 5.675 -5.289 7.397 1.00 0.00 H new ATOM 0 HD23 LEU A 60 6.906 -5.931 6.283 1.00 0.00 H new ATOM 890 N PRO A 61 6.246 -8.680 9.252 1.00 0.00 N ATOM 891 CA PRO A 61 6.095 -9.435 10.501 1.00 0.00 C ATOM 892 C PRO A 61 4.692 -10.007 10.678 1.00 0.00 C ATOM 893 O PRO A 61 3.872 -9.972 9.759 1.00 0.00 O ATOM 894 CB PRO A 61 6.396 -8.404 11.599 1.00 0.00 C ATOM 895 CG PRO A 61 6.412 -7.077 10.915 1.00 0.00 C ATOM 896 CD PRO A 61 6.805 -7.344 9.493 1.00 0.00 C ATOM 0 HA PRO A 61 6.758 -10.300 10.523 1.00 0.00 H new ATOM 0 HB2 PRO A 61 5.637 -8.432 12.381 1.00 0.00 H new ATOM 0 HB3 PRO A 61 7.354 -8.610 12.077 1.00 0.00 H new ATOM 0 HG2 PRO A 61 5.433 -6.601 10.965 1.00 0.00 H new ATOM 0 HG3 PRO A 61 7.120 -6.401 11.394 1.00 0.00 H new ATOM 0 HD2 PRO A 61 6.390 -6.602 8.811 1.00 0.00 H new ATOM 0 HD3 PRO A 61 7.887 -7.327 9.361 1.00 0.00 H new ATOM 904 N GLU A 62 4.427 -10.534 11.869 1.00 0.00 N ATOM 905 CA GLU A 62 3.131 -11.124 12.185 1.00 0.00 C ATOM 906 C GLU A 62 2.007 -10.131 11.975 1.00 0.00 C ATOM 907 O GLU A 62 2.179 -9.108 11.322 1.00 0.00 O ATOM 908 CB GLU A 62 3.121 -11.633 13.627 1.00 0.00 C ATOM 909 CG GLU A 62 3.138 -10.525 14.667 1.00 0.00 C ATOM 910 CD GLU A 62 4.544 -10.079 15.023 1.00 0.00 C ATOM 911 OE1 GLU A 62 5.307 -9.731 14.097 1.00 0.00 O ATOM 912 OE2 GLU A 62 4.881 -10.083 16.223 1.00 0.00 O ATOM 0 H GLU A 62 5.098 -10.564 12.636 1.00 0.00 H new ATOM 0 HA GLU A 62 2.970 -11.963 11.508 1.00 0.00 H new ATOM 0 HB2 GLU A 62 2.234 -12.248 13.779 1.00 0.00 H new ATOM 0 HB3 GLU A 62 3.987 -12.277 13.781 1.00 0.00 H new ATOM 0 HG2 GLU A 62 2.574 -9.671 14.292 1.00 0.00 H new ATOM 0 HG3 GLU A 62 2.631 -10.870 15.568 1.00 0.00 H new ATOM 919 N ASN A 63 0.848 -10.476 12.517 1.00 0.00 N ATOM 920 CA ASN A 63 -0.344 -9.671 12.397 1.00 0.00 C ATOM 921 C ASN A 63 -0.046 -8.179 12.495 1.00 0.00 C ATOM 922 O ASN A 63 -0.380 -7.531 13.488 1.00 0.00 O ATOM 923 CB ASN A 63 -1.353 -10.066 13.476 1.00 0.00 C ATOM 924 CG ASN A 63 -0.694 -10.338 14.813 1.00 0.00 C ATOM 925 OD1 ASN A 63 0.174 -9.588 15.254 1.00 0.00 O ATOM 926 ND2 ASN A 63 -1.107 -11.418 15.469 1.00 0.00 N ATOM 0 H ASN A 63 0.715 -11.332 13.056 1.00 0.00 H new ATOM 0 HA ASN A 63 -0.763 -9.859 11.408 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -2.087 -9.269 13.592 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -1.895 -10.955 13.154 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -0.700 -11.651 16.375 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -1.830 -12.014 15.066 1.00 0.00 H new ATOM 933 N THR A 64 0.579 -7.639 11.455 1.00 0.00 N ATOM 934 CA THR A 64 0.918 -6.220 11.423 1.00 0.00 C ATOM 935 C THR A 64 -0.114 -5.441 10.624 1.00 0.00 C ATOM 936 O THR A 64 -0.895 -6.019 9.870 1.00 0.00 O ATOM 937 CB THR A 64 2.306 -6.011 10.816 1.00 0.00 C ATOM 938 OG1 THR A 64 2.703 -7.139 10.057 1.00 0.00 O ATOM 939 CG2 THR A 64 3.378 -5.752 11.857 1.00 0.00 C ATOM 0 H THR A 64 0.861 -8.160 10.625 1.00 0.00 H new ATOM 0 HA THR A 64 0.922 -5.852 12.449 1.00 0.00 H new ATOM 0 HB THR A 64 2.214 -5.129 10.182 1.00 0.00 H new ATOM 0 HG1 THR A 64 2.864 -7.897 10.657 1.00 0.00 H new ATOM 0 HG21 THR A 64 4.339 -5.612 11.362 1.00 0.00 H new ATOM 0 HG22 THR A 64 3.127 -4.855 12.422 1.00 0.00 H new ATOM 0 HG23 THR A 64 3.440 -6.603 12.535 1.00 0.00 H new ATOM 947 N THR A 65 -0.123 -4.126 10.800 1.00 0.00 N ATOM 948 CA THR A 65 -1.070 -3.273 10.098 1.00 0.00 C ATOM 949 C THR A 65 -0.360 -2.319 9.148 1.00 0.00 C ATOM 950 O THR A 65 -0.329 -1.108 9.371 1.00 0.00 O ATOM 951 CB THR A 65 -1.892 -2.471 11.095 1.00 0.00 C ATOM 952 OG1 THR A 65 -1.967 -3.137 12.342 1.00 0.00 O ATOM 953 CG2 THR A 65 -3.308 -2.198 10.628 1.00 0.00 C ATOM 0 H THR A 65 0.514 -3.629 11.422 1.00 0.00 H new ATOM 0 HA THR A 65 -1.726 -3.919 9.514 1.00 0.00 H new ATOM 0 HB THR A 65 -1.372 -1.518 11.192 1.00 0.00 H new ATOM 0 HG1 THR A 65 -2.499 -2.602 12.967 1.00 0.00 H new ATOM 0 HG21 THR A 65 -3.837 -1.622 11.387 1.00 0.00 H new ATOM 0 HG22 THR A 65 -3.281 -1.632 9.697 1.00 0.00 H new ATOM 0 HG23 THR A 65 -3.825 -3.143 10.464 1.00 0.00 H new ATOM 961 N LYS A 66 0.191 -2.873 8.086 1.00 0.00 N ATOM 962 CA LYS A 66 0.887 -2.089 7.089 1.00 0.00 C ATOM 963 C LYS A 66 -0.022 -1.014 6.526 1.00 0.00 C ATOM 964 O LYS A 66 -1.237 -1.060 6.703 1.00 0.00 O ATOM 965 CB LYS A 66 1.368 -3.001 5.966 1.00 0.00 C ATOM 966 CG LYS A 66 2.585 -2.472 5.232 1.00 0.00 C ATOM 967 CD LYS A 66 3.843 -2.427 6.100 1.00 0.00 C ATOM 968 CE LYS A 66 3.656 -2.965 7.519 1.00 0.00 C ATOM 969 NZ LYS A 66 3.677 -1.875 8.534 1.00 0.00 N ATOM 0 H LYS A 66 0.168 -3.874 7.892 1.00 0.00 H new ATOM 0 HA LYS A 66 1.744 -1.606 7.558 1.00 0.00 H new ATOM 0 HB2 LYS A 66 1.602 -3.981 6.381 1.00 0.00 H new ATOM 0 HB3 LYS A 66 0.557 -3.143 5.252 1.00 0.00 H new ATOM 0 HG2 LYS A 66 2.776 -3.098 4.360 1.00 0.00 H new ATOM 0 HG3 LYS A 66 2.371 -1.469 4.863 1.00 0.00 H new ATOM 0 HD2 LYS A 66 4.629 -3.001 5.608 1.00 0.00 H new ATOM 0 HD3 LYS A 66 4.191 -1.396 6.159 1.00 0.00 H new ATOM 0 HE2 LYS A 66 2.709 -3.501 7.582 1.00 0.00 H new ATOM 0 HE3 LYS A 66 4.445 -3.684 7.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 4.625 -1.814 8.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 3.443 -0.971 8.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 2.978 -2.079 9.277 1.00 0.00 H new ATOM 983 N THR A 67 0.570 -0.042 5.855 1.00 0.00 N ATOM 984 CA THR A 67 -0.186 1.042 5.271 1.00 0.00 C ATOM 985 C THR A 67 0.512 1.595 4.036 1.00 0.00 C ATOM 986 O THR A 67 1.711 1.847 4.050 1.00 0.00 O ATOM 987 CB THR A 67 -0.378 2.141 6.310 1.00 0.00 C ATOM 988 OG1 THR A 67 -1.257 1.708 7.335 1.00 0.00 O ATOM 989 CG2 THR A 67 -0.933 3.431 5.746 1.00 0.00 C ATOM 0 H THR A 67 1.577 0.015 5.703 1.00 0.00 H new ATOM 0 HA THR A 67 -1.159 0.662 4.959 1.00 0.00 H new ATOM 0 HB THR A 67 0.622 2.343 6.695 1.00 0.00 H new ATOM 0 HG1 THR A 67 -1.368 2.424 7.995 1.00 0.00 H new ATOM 0 HG21 THR A 67 -1.040 4.162 6.547 1.00 0.00 H new ATOM 0 HG22 THR A 67 -0.252 3.820 4.989 1.00 0.00 H new ATOM 0 HG23 THR A 67 -1.907 3.242 5.295 1.00 0.00 H new ATOM 997 N LEU A 68 -0.248 1.779 2.969 1.00 0.00 N ATOM 998 CA LEU A 68 0.274 2.305 1.724 1.00 0.00 C ATOM 999 C LEU A 68 -0.106 3.768 1.571 1.00 0.00 C ATOM 1000 O LEU A 68 -1.036 4.099 0.835 1.00 0.00 O ATOM 1001 CB LEU A 68 -0.268 1.500 0.544 1.00 0.00 C ATOM 1002 CG LEU A 68 0.656 1.408 -0.660 1.00 0.00 C ATOM 1003 CD1 LEU A 68 2.039 0.967 -0.230 1.00 0.00 C ATOM 1004 CD2 LEU A 68 0.088 0.444 -1.691 1.00 0.00 C ATOM 0 H LEU A 68 -1.245 1.567 2.944 1.00 0.00 H new ATOM 0 HA LEU A 68 1.361 2.223 1.739 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -0.492 0.490 0.887 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -1.211 1.945 0.225 1.00 0.00 H new ATOM 0 HG LEU A 68 0.733 2.395 -1.115 1.00 0.00 H new ATOM 0 HD11 LEU A 68 2.689 0.906 -1.103 1.00 0.00 H new ATOM 0 HD12 LEU A 68 2.448 1.689 0.477 1.00 0.00 H new ATOM 0 HD13 LEU A 68 1.977 -0.012 0.246 1.00 0.00 H new ATOM 0 HD21 LEU A 68 0.761 0.389 -2.547 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -0.015 -0.546 -1.246 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -0.889 0.797 -2.020 1.00 0.00 H new ATOM 1016 N THR A 69 0.597 4.641 2.279 1.00 0.00 N ATOM 1017 CA THR A 69 0.309 6.064 2.214 1.00 0.00 C ATOM 1018 C THR A 69 1.161 6.734 1.146 1.00 0.00 C ATOM 1019 O THR A 69 2.299 7.124 1.406 1.00 0.00 O ATOM 1020 CB THR A 69 0.559 6.724 3.573 1.00 0.00 C ATOM 1021 OG1 THR A 69 -0.271 6.168 4.571 1.00 0.00 O ATOM 1022 CG2 THR A 69 0.327 8.219 3.560 1.00 0.00 C ATOM 0 H THR A 69 1.366 4.390 2.901 1.00 0.00 H new ATOM 0 HA THR A 69 -0.742 6.187 1.951 1.00 0.00 H new ATOM 0 HB THR A 69 1.610 6.534 3.793 1.00 0.00 H new ATOM 0 HG1 THR A 69 0.283 5.816 5.299 1.00 0.00 H new ATOM 0 HG21 THR A 69 0.521 8.626 4.552 1.00 0.00 H new ATOM 0 HG22 THR A 69 0.999 8.685 2.839 1.00 0.00 H new ATOM 0 HG23 THR A 69 -0.706 8.424 3.279 1.00 0.00 H new ATOM 1030 N PHE A 70 0.607 6.872 -0.049 1.00 0.00 N ATOM 1031 CA PHE A 70 1.326 7.504 -1.141 1.00 0.00 C ATOM 1032 C PHE A 70 1.477 8.994 -0.872 1.00 0.00 C ATOM 1033 O PHE A 70 0.499 9.734 -0.889 1.00 0.00 O ATOM 1034 CB PHE A 70 0.574 7.269 -2.449 1.00 0.00 C ATOM 1035 CG PHE A 70 0.228 5.825 -2.679 1.00 0.00 C ATOM 1036 CD1 PHE A 70 1.175 4.937 -3.166 1.00 0.00 C ATOM 1037 CD2 PHE A 70 -1.041 5.354 -2.407 1.00 0.00 C ATOM 1038 CE1 PHE A 70 0.861 3.610 -3.378 1.00 0.00 C ATOM 1039 CE2 PHE A 70 -1.364 4.025 -2.617 1.00 0.00 C ATOM 1040 CZ PHE A 70 -0.409 3.154 -3.104 1.00 0.00 C ATOM 0 H PHE A 70 -0.334 6.556 -0.285 1.00 0.00 H new ATOM 0 HA PHE A 70 2.321 7.067 -1.222 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -0.342 7.860 -2.446 1.00 0.00 H new ATOM 0 HB3 PHE A 70 1.182 7.628 -3.280 1.00 0.00 H new ATOM 0 HD1 PHE A 70 2.173 5.289 -3.383 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -1.791 6.031 -2.026 1.00 0.00 H new ATOM 0 HE1 PHE A 70 1.610 2.931 -3.758 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -2.361 3.670 -2.401 1.00 0.00 H new ATOM 0 HZ PHE A 70 -0.658 2.116 -3.270 1.00 0.00 H new ATOM 1050 N ASP A 71 2.702 9.433 -0.607 1.00 0.00 N ATOM 1051 CA ASP A 71 2.944 10.838 -0.315 1.00 0.00 C ATOM 1052 C ASP A 71 2.725 11.696 -1.546 1.00 0.00 C ATOM 1053 O ASP A 71 3.568 11.774 -2.436 1.00 0.00 O ATOM 1054 CB ASP A 71 4.356 11.044 0.211 1.00 0.00 C ATOM 1055 CG ASP A 71 4.596 12.462 0.695 1.00 0.00 C ATOM 1056 OD1 ASP A 71 3.706 13.314 0.491 1.00 0.00 O ATOM 1057 OD2 ASP A 71 5.673 12.720 1.271 1.00 0.00 O ATOM 0 H ASP A 71 3.534 8.843 -0.589 1.00 0.00 H new ATOM 0 HA ASP A 71 2.233 11.142 0.453 1.00 0.00 H new ATOM 0 HB2 ASP A 71 4.540 10.348 1.030 1.00 0.00 H new ATOM 0 HB3 ASP A 71 5.072 10.806 -0.576 1.00 0.00 H new ATOM 1062 N PHE A 72 1.575 12.337 -1.566 1.00 0.00 N ATOM 1063 CA PHE A 72 1.188 13.214 -2.659 1.00 0.00 C ATOM 1064 C PHE A 72 1.385 14.671 -2.261 1.00 0.00 C ATOM 1065 O PHE A 72 0.845 15.575 -2.892 1.00 0.00 O ATOM 1066 CB PHE A 72 -0.276 12.979 -3.033 1.00 0.00 C ATOM 1067 CG PHE A 72 -0.480 12.056 -4.201 1.00 0.00 C ATOM 1068 CD1 PHE A 72 0.441 11.073 -4.498 1.00 0.00 C ATOM 1069 CD2 PHE A 72 -1.603 12.180 -5.001 1.00 0.00 C ATOM 1070 CE1 PHE A 72 0.250 10.228 -5.572 1.00 0.00 C ATOM 1071 CE2 PHE A 72 -1.800 11.338 -6.078 1.00 0.00 C ATOM 1072 CZ PHE A 72 -0.869 10.360 -6.362 1.00 0.00 C ATOM 0 H PHE A 72 0.878 12.266 -0.824 1.00 0.00 H new ATOM 0 HA PHE A 72 1.818 12.990 -3.520 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -0.798 12.570 -2.168 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -0.739 13.940 -3.260 1.00 0.00 H new ATOM 0 HD1 PHE A 72 1.322 10.963 -3.883 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -2.334 12.944 -4.780 1.00 0.00 H new ATOM 0 HE1 PHE A 72 0.979 9.463 -5.793 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -2.680 11.445 -6.696 1.00 0.00 H new ATOM 0 HZ PHE A 72 -1.018 9.699 -7.203 1.00 0.00 H new ATOM 1082 N GLY A 73 2.141 14.890 -1.190 1.00 0.00 N ATOM 1083 CA GLY A 73 2.374 16.240 -0.719 1.00 0.00 C ATOM 1084 C GLY A 73 1.102 16.889 -0.211 1.00 0.00 C ATOM 1085 O GLY A 73 1.097 18.067 0.138 1.00 0.00 O ATOM 0 H GLY A 73 2.594 14.159 -0.642 1.00 0.00 H new ATOM 0 HA2 GLY A 73 3.116 16.223 0.079 1.00 0.00 H new ATOM 0 HA3 GLY A 73 2.790 16.840 -1.528 1.00 0.00 H new ATOM 1089 N VAL A 74 0.021 16.114 -0.178 1.00 0.00 N ATOM 1090 CA VAL A 74 -1.261 16.616 0.286 1.00 0.00 C ATOM 1091 C VAL A 74 -1.478 16.270 1.754 1.00 0.00 C ATOM 1092 O VAL A 74 -1.868 17.126 2.549 1.00 0.00 O ATOM 1093 CB VAL A 74 -2.424 16.044 -0.538 1.00 0.00 C ATOM 1094 CG1 VAL A 74 -2.283 16.437 -1.999 1.00 0.00 C ATOM 1095 CG2 VAL A 74 -2.493 14.531 -0.389 1.00 0.00 C ATOM 0 H VAL A 74 0.011 15.136 -0.468 1.00 0.00 H new ATOM 0 HA VAL A 74 -1.241 17.699 0.163 1.00 0.00 H new ATOM 0 HB VAL A 74 -3.356 16.464 -0.159 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -3.115 16.024 -2.569 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -2.288 17.524 -2.086 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -1.344 16.046 -2.392 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -3.323 14.145 -0.980 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -1.561 14.088 -0.740 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -2.644 14.275 0.660 1.00 0.00 H new ATOM 1105 N GLY A 75 -1.213 15.017 2.108 1.00 0.00 N ATOM 1106 CA GLY A 75 -1.377 14.580 3.483 1.00 0.00 C ATOM 1107 C GLY A 75 -2.829 14.438 3.898 1.00 0.00 C ATOM 1108 O GLY A 75 -3.276 13.350 4.267 1.00 0.00 O ATOM 0 H GLY A 75 -0.887 14.295 1.466 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -0.873 13.622 3.615 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -0.885 15.293 4.145 1.00 0.00 H new ATOM 1112 N THR A 76 -3.554 15.538 3.845 1.00 0.00 N ATOM 1113 CA THR A 76 -4.965 15.558 4.225 1.00 0.00 C ATOM 1114 C THR A 76 -5.763 14.511 3.457 1.00 0.00 C ATOM 1115 O THR A 76 -6.219 13.522 4.030 1.00 0.00 O ATOM 1116 CB THR A 76 -5.557 16.946 3.981 1.00 0.00 C ATOM 1117 OG1 THR A 76 -4.880 17.925 4.753 1.00 0.00 O ATOM 1118 CG2 THR A 76 -7.030 17.035 4.317 1.00 0.00 C ATOM 0 H THR A 76 -3.191 16.441 3.540 1.00 0.00 H new ATOM 0 HA THR A 76 -5.028 15.320 5.287 1.00 0.00 H new ATOM 0 HB THR A 76 -5.432 17.129 2.914 1.00 0.00 H new ATOM 0 HG1 THR A 76 -5.273 18.806 4.581 1.00 0.00 H new ATOM 0 HG21 THR A 76 -7.387 18.046 4.121 1.00 0.00 H new ATOM 0 HG22 THR A 76 -7.587 16.328 3.702 1.00 0.00 H new ATOM 0 HG23 THR A 76 -7.178 16.795 5.370 1.00 0.00 H new ATOM 1126 N LYS A 77 -5.936 14.741 2.158 1.00 0.00 N ATOM 1127 CA LYS A 77 -6.682 13.822 1.313 1.00 0.00 C ATOM 1128 C LYS A 77 -5.775 12.730 0.755 1.00 0.00 C ATOM 1129 O LYS A 77 -6.152 12.007 -0.164 1.00 0.00 O ATOM 1130 CB LYS A 77 -7.352 14.582 0.169 1.00 0.00 C ATOM 1131 CG LYS A 77 -6.375 15.076 -0.882 1.00 0.00 C ATOM 1132 CD LYS A 77 -7.066 15.959 -1.909 1.00 0.00 C ATOM 1133 CE LYS A 77 -8.272 15.266 -2.520 1.00 0.00 C ATOM 1134 NZ LYS A 77 -9.503 15.478 -1.713 1.00 0.00 N ATOM 0 H LYS A 77 -5.568 15.558 1.670 1.00 0.00 H new ATOM 0 HA LYS A 77 -7.449 13.348 1.925 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -8.088 13.933 -0.306 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -7.895 15.434 0.578 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -5.572 15.635 -0.401 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -5.915 14.224 -1.383 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -7.381 16.890 -1.437 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -6.360 16.224 -2.696 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -8.432 15.641 -3.531 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -8.073 14.198 -2.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -9.834 14.566 -1.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -9.294 16.121 -0.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -10.243 15.895 -2.312 1.00 0.00 H new ATOM 1148 N ASN A 78 -4.580 12.623 1.318 1.00 0.00 N ATOM 1149 CA ASN A 78 -3.609 11.627 0.882 1.00 0.00 C ATOM 1150 C ASN A 78 -4.192 10.216 0.944 1.00 0.00 C ATOM 1151 O ASN A 78 -4.565 9.735 2.016 1.00 0.00 O ATOM 1152 CB ASN A 78 -2.355 11.710 1.750 1.00 0.00 C ATOM 1153 CG ASN A 78 -1.107 11.903 0.919 1.00 0.00 C ATOM 1154 OD1 ASN A 78 -0.183 12.616 1.315 1.00 0.00 O ATOM 1155 ND2 ASN A 78 -1.080 11.268 -0.236 1.00 0.00 N ATOM 0 H ASN A 78 -4.257 13.217 2.082 1.00 0.00 H new ATOM 0 HA ASN A 78 -3.350 11.839 -0.155 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -2.454 12.537 2.454 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -2.261 10.799 2.340 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -0.268 11.355 -0.847 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -1.871 10.689 -0.518 1.00 0.00 H new ATOM 1162 N PRO A 79 -4.276 9.520 -0.199 1.00 0.00 N ATOM 1163 CA PRO A 79 -4.811 8.168 -0.245 1.00 0.00 C ATOM 1164 C PRO A 79 -3.847 7.148 0.348 1.00 0.00 C ATOM 1165 O PRO A 79 -2.899 6.690 -0.297 1.00 0.00 O ATOM 1166 CB PRO A 79 -5.049 7.893 -1.738 1.00 0.00 C ATOM 1167 CG PRO A 79 -4.709 9.165 -2.456 1.00 0.00 C ATOM 1168 CD PRO A 79 -3.857 9.985 -1.526 1.00 0.00 C ATOM 0 HA PRO A 79 -5.721 8.081 0.348 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -4.425 7.070 -2.087 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -6.085 7.607 -1.921 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -4.174 8.953 -3.382 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -5.614 9.708 -2.728 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -2.794 9.814 -1.696 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -4.033 11.053 -1.654 1.00 0.00 H new ATOM 1176 N LYS A 80 -4.109 6.794 1.600 1.00 0.00 N ATOM 1177 CA LYS A 80 -3.299 5.818 2.313 1.00 0.00 C ATOM 1178 C LYS A 80 -4.119 4.559 2.544 1.00 0.00 C ATOM 1179 O LYS A 80 -5.141 4.595 3.227 1.00 0.00 O ATOM 1180 CB LYS A 80 -2.815 6.388 3.643 1.00 0.00 C ATOM 1181 CG LYS A 80 -3.812 7.325 4.306 1.00 0.00 C ATOM 1182 CD LYS A 80 -3.564 7.435 5.802 1.00 0.00 C ATOM 1183 CE LYS A 80 -4.636 8.272 6.483 1.00 0.00 C ATOM 1184 NZ LYS A 80 -4.588 9.696 6.050 1.00 0.00 N ATOM 0 H LYS A 80 -4.883 7.173 2.145 1.00 0.00 H new ATOM 0 HA LYS A 80 -2.422 5.575 1.713 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -2.596 5.565 4.323 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -1.880 6.924 3.480 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -3.742 8.313 3.851 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -4.825 6.964 4.130 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -3.544 6.438 6.243 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -2.585 7.881 5.978 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -5.618 7.857 6.257 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -4.507 8.217 7.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -5.265 10.252 6.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -3.629 10.071 6.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -4.837 9.761 5.042 1.00 0.00 H new ATOM 1198 N LEU A 81 -3.688 3.453 1.952 1.00 0.00 N ATOM 1199 CA LEU A 81 -4.413 2.197 2.076 1.00 0.00 C ATOM 1200 C LEU A 81 -3.833 1.313 3.176 1.00 0.00 C ATOM 1201 O LEU A 81 -2.710 0.835 3.079 1.00 0.00 O ATOM 1202 CB LEU A 81 -4.436 1.458 0.730 1.00 0.00 C ATOM 1203 CG LEU A 81 -3.413 0.329 0.569 1.00 0.00 C ATOM 1204 CD1 LEU A 81 -3.873 -0.907 1.319 1.00 0.00 C ATOM 1205 CD2 LEU A 81 -3.198 0.015 -0.897 1.00 0.00 C ATOM 0 H LEU A 81 -2.843 3.401 1.383 1.00 0.00 H new ATOM 0 HA LEU A 81 -5.438 2.432 2.362 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -5.433 1.043 0.583 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -4.273 2.186 -0.065 1.00 0.00 H new ATOM 0 HG LEU A 81 -2.463 0.656 0.991 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -3.137 -1.702 1.196 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -3.980 -0.671 2.378 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -4.833 -1.237 0.922 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -2.468 -0.789 -0.994 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -4.142 -0.296 -1.345 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -2.829 0.904 -1.409 1.00 0.00 H new ATOM 1217 N THR A 82 -4.616 1.093 4.224 1.00 0.00 N ATOM 1218 CA THR A 82 -4.171 0.272 5.342 1.00 0.00 C ATOM 1219 C THR A 82 -4.060 -1.194 4.944 1.00 0.00 C ATOM 1220 O THR A 82 -5.064 -1.863 4.693 1.00 0.00 O ATOM 1221 CB THR A 82 -5.130 0.419 6.524 1.00 0.00 C ATOM 1222 OG1 THR A 82 -5.457 1.781 6.737 1.00 0.00 O ATOM 1223 CG2 THR A 82 -4.571 -0.122 7.820 1.00 0.00 C ATOM 0 H THR A 82 -5.559 1.470 4.323 1.00 0.00 H new ATOM 0 HA THR A 82 -3.181 0.621 5.637 1.00 0.00 H new ATOM 0 HB THR A 82 -6.011 -0.164 6.254 1.00 0.00 H new ATOM 0 HG1 THR A 82 -6.073 1.855 7.496 1.00 0.00 H new ATOM 0 HG21 THR A 82 -5.302 0.014 8.617 1.00 0.00 H new ATOM 0 HG22 THR A 82 -4.351 -1.184 7.707 1.00 0.00 H new ATOM 0 HG23 THR A 82 -3.655 0.413 8.073 1.00 0.00 H new ATOM 1231 N ILE A 83 -2.824 -1.687 4.901 1.00 0.00 N ATOM 1232 CA ILE A 83 -2.557 -3.074 4.553 1.00 0.00 C ATOM 1233 C ILE A 83 -2.380 -3.918 5.813 1.00 0.00 C ATOM 1234 O ILE A 83 -1.422 -3.737 6.569 1.00 0.00 O ATOM 1235 CB ILE A 83 -1.299 -3.197 3.662 1.00 0.00 C ATOM 1236 CG1 ILE A 83 -1.652 -2.878 2.204 1.00 0.00 C ATOM 1237 CG2 ILE A 83 -0.680 -4.587 3.784 1.00 0.00 C ATOM 1238 CD1 ILE A 83 -0.960 -3.768 1.192 1.00 0.00 C ATOM 0 H ILE A 83 -1.988 -1.139 5.105 1.00 0.00 H new ATOM 0 HA ILE A 83 -3.415 -3.443 3.991 1.00 0.00 H new ATOM 0 HB ILE A 83 -0.558 -2.474 4.004 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -2.730 -2.968 2.074 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -1.392 -1.840 1.997 1.00 0.00 H new ATOM 0 HG21 ILE A 83 0.203 -4.649 3.148 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -0.395 -4.769 4.820 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -1.406 -5.337 3.471 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -1.262 -3.478 0.186 1.00 0.00 H new ATOM 0 HD12 ILE A 83 0.120 -3.661 1.291 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -1.239 -4.807 1.370 1.00 0.00 H new ATOM 1250 N THR A 84 -3.311 -4.837 6.035 1.00 0.00 N ATOM 1251 CA THR A 84 -3.261 -5.702 7.206 1.00 0.00 C ATOM 1252 C THR A 84 -2.629 -7.046 6.866 1.00 0.00 C ATOM 1253 O THR A 84 -3.199 -7.840 6.119 1.00 0.00 O ATOM 1254 CB THR A 84 -4.668 -5.919 7.767 1.00 0.00 C ATOM 1255 OG1 THR A 84 -5.555 -4.918 7.297 1.00 0.00 O ATOM 1256 CG2 THR A 84 -4.718 -5.903 9.279 1.00 0.00 C ATOM 0 H THR A 84 -4.108 -5.002 5.421 1.00 0.00 H new ATOM 0 HA THR A 84 -2.646 -5.211 7.960 1.00 0.00 H new ATOM 0 HB THR A 84 -4.968 -6.908 7.420 1.00 0.00 H new ATOM 0 HG1 THR A 84 -5.698 -5.034 6.334 1.00 0.00 H new ATOM 0 HG21 THR A 84 -5.744 -6.062 9.611 1.00 0.00 H new ATOM 0 HG22 THR A 84 -4.082 -6.696 9.672 1.00 0.00 H new ATOM 0 HG23 THR A 84 -4.364 -4.939 9.645 1.00 0.00 H new ATOM 1264 N VAL A 85 -1.449 -7.295 7.424 1.00 0.00 N ATOM 1265 CA VAL A 85 -0.744 -8.547 7.182 1.00 0.00 C ATOM 1266 C VAL A 85 -0.866 -9.474 8.380 1.00 0.00 C ATOM 1267 O VAL A 85 -0.511 -9.110 9.500 1.00 0.00 O ATOM 1268 CB VAL A 85 0.739 -8.303 6.864 1.00 0.00 C ATOM 1269 CG1 VAL A 85 1.301 -7.205 7.751 1.00 0.00 C ATOM 1270 CG2 VAL A 85 1.547 -9.586 7.011 1.00 0.00 C ATOM 0 H VAL A 85 -0.963 -6.648 8.045 1.00 0.00 H new ATOM 0 HA VAL A 85 -1.209 -9.020 6.317 1.00 0.00 H new ATOM 0 HB VAL A 85 0.815 -7.978 5.827 1.00 0.00 H new ATOM 0 HG11 VAL A 85 2.352 -7.046 7.511 1.00 0.00 H new ATOM 0 HG12 VAL A 85 0.747 -6.282 7.582 1.00 0.00 H new ATOM 0 HG13 VAL A 85 1.207 -7.498 8.797 1.00 0.00 H new ATOM 0 HG21 VAL A 85 2.593 -9.386 6.780 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.465 -9.952 8.034 1.00 0.00 H new ATOM 0 HG23 VAL A 85 1.162 -10.339 6.324 1.00 0.00 H new ATOM 1280 N LEU A 86 -1.373 -10.674 8.136 1.00 0.00 N ATOM 1281 CA LEU A 86 -1.549 -11.663 9.194 1.00 0.00 C ATOM 1282 C LEU A 86 -0.329 -12.575 9.296 1.00 0.00 C ATOM 1283 O LEU A 86 0.494 -12.624 8.386 1.00 0.00 O ATOM 1284 CB LEU A 86 -2.807 -12.493 8.943 1.00 0.00 C ATOM 1285 CG LEU A 86 -4.090 -11.926 9.556 1.00 0.00 C ATOM 1286 CD1 LEU A 86 -5.302 -12.711 9.079 1.00 0.00 C ATOM 1287 CD2 LEU A 86 -4.008 -11.942 11.076 1.00 0.00 C ATOM 0 H LEU A 86 -1.671 -10.988 7.213 1.00 0.00 H new ATOM 0 HA LEU A 86 -1.660 -11.131 10.139 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -2.950 -12.592 7.867 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -2.647 -13.496 9.337 1.00 0.00 H new ATOM 0 HG LEU A 86 -4.199 -10.892 9.228 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -6.205 -12.293 9.525 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -5.372 -12.648 7.993 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -5.200 -13.755 9.376 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -4.929 -11.535 11.494 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -3.874 -12.967 11.422 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -3.163 -11.335 11.401 1.00 0.00 H new