USER MOD reduce.3.24.130724 H: found=0, std=0, add=867, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 738 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 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 97 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 5 GLN :FLIP amide:sc= -2.51 F(o=-9.1,f=-6.6) USER MOD Set 2.2: A 89 GLN :FLIP amide:sc= -4.09! C(o=-11!,f=-6.6!) USER MOD Single : A 1 MET CE :methyl -153:sc= -0.29 (180deg=-1.37!) USER MOD Single : A 1 MET N :NH3+ 145:sc= 0.0428 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot -45:sc= -0.838 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot -85:sc= 0.293 USER MOD Single : A 31 LYS NZ :NH3+ 158:sc= -0.0308 (180deg=-0.417) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 121:sc= -8.14! USER MOD Single : A 44 MET CE :methyl 172:sc= 0 (180deg=-0.123) USER MOD Single : A 50 GLN :FLIP amide:sc= -2.31! C(o=-3.8!,f=-2.3!) USER MOD Single : A 51 THR OG1 : rot 120:sc= -0.346 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 TYR OH : rot 180:sc= -0.0722 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 GLN :FLIP amide:sc= -0.357 F(o=-1.6,f=-0.36) USER MOD Single : A 79 LYS NZ :NH3+ -167:sc= -8.66! (180deg=-9.41!) USER MOD Single : A 84 ASN : amide:sc= -0.176 X(o=-0.18,f=-0.58) USER MOD Single : A 99 ASN : amide:sc= -0.0115 K(o=-0.011,f=-0.67) USER MOD Single : A 105 ASN : amide:sc= -0.0779 X(o=-0.078,f=-0.4) USER MOD Single : A 107 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 114 SER OG : rot 48:sc= 0.432 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -10.906 -0.958 -18.030 1.00 0.00 N ATOM 2 CA MET A 1 -11.520 -0.577 -16.769 1.00 0.00 C ATOM 3 C MET A 1 -10.640 0.416 -16.008 1.00 0.00 C ATOM 4 O MET A 1 -9.416 0.391 -16.134 1.00 0.00 O ATOM 5 CB MET A 1 -11.741 -1.825 -15.911 1.00 0.00 C ATOM 6 CG MET A 1 -13.053 -2.520 -16.281 1.00 0.00 C ATOM 7 SD MET A 1 -13.254 -4.003 -15.309 1.00 0.00 S ATOM 8 CE MET A 1 -11.840 -4.937 -15.873 1.00 0.00 C ATOM 0 H1 MET A 1 -11.124 -1.954 -18.235 1.00 0.00 H new ATOM 0 H2 MET A 1 -11.279 -0.358 -18.793 1.00 0.00 H new ATOM 0 H3 MET A 1 -9.875 -0.835 -17.965 1.00 0.00 H new ATOM 0 HA MET A 1 -12.475 -0.097 -16.982 1.00 0.00 H new ATOM 0 HB2 MET A 1 -10.909 -2.516 -16.046 1.00 0.00 H new ATOM 0 HB3 MET A 1 -11.757 -1.548 -14.857 1.00 0.00 H new ATOM 0 HG2 MET A 1 -13.892 -1.846 -16.109 1.00 0.00 H new ATOM 0 HG3 MET A 1 -13.056 -2.768 -17.342 1.00 0.00 H new ATOM 0 HE1 MET A 1 -12.044 -6.003 -15.770 1.00 0.00 H new ATOM 0 HE2 MET A 1 -11.644 -4.704 -16.920 1.00 0.00 H new ATOM 0 HE3 MET A 1 -10.968 -4.675 -15.274 1.00 0.00 H new ATOM 16 N PRO A 2 -11.314 1.291 -15.215 1.00 0.00 N ATOM 17 CA PRO A 2 -10.606 2.292 -14.434 1.00 0.00 C ATOM 18 C PRO A 2 -9.928 1.659 -13.218 1.00 0.00 C ATOM 19 O PRO A 2 -9.776 0.440 -13.151 1.00 0.00 O ATOM 20 CB PRO A 2 -11.664 3.317 -14.057 1.00 0.00 C ATOM 21 CG PRO A 2 -13.003 2.622 -14.242 1.00 0.00 C ATOM 22 CD PRO A 2 -12.762 1.352 -15.041 1.00 0.00 C ATOM 0 HA PRO A 2 -9.794 2.762 -14.989 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -11.536 3.650 -13.027 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -11.593 4.202 -14.689 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -13.448 2.386 -13.275 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -13.703 3.274 -14.764 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -13.134 0.475 -14.512 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -13.275 1.386 -16.002 1.00 0.00 H new ATOM 27 N VAL A 3 -9.538 2.515 -12.285 1.00 0.00 N ATOM 28 CA VAL A 3 -8.880 2.055 -11.074 1.00 0.00 C ATOM 29 C VAL A 3 -9.785 2.326 -9.872 1.00 0.00 C ATOM 30 O VAL A 3 -10.742 3.091 -9.970 1.00 0.00 O ATOM 31 CB VAL A 3 -7.503 2.711 -10.947 1.00 0.00 C ATOM 32 CG1 VAL A 3 -7.597 4.039 -10.194 1.00 0.00 C ATOM 33 CG2 VAL A 3 -6.506 1.766 -10.269 1.00 0.00 C ATOM 0 H VAL A 3 -9.665 3.525 -12.343 1.00 0.00 H new ATOM 0 HA VAL A 3 -8.711 0.979 -11.116 1.00 0.00 H new ATOM 0 HB VAL A 3 -7.137 2.920 -11.952 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -6.605 4.485 -10.117 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -8.259 4.717 -10.733 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -7.994 3.863 -9.194 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -5.536 2.256 -10.191 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -6.866 1.512 -9.272 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -6.406 0.856 -10.861 1.00 0.00 H new ATOM 43 N THR A 4 -9.451 1.682 -8.763 1.00 0.00 N ATOM 44 CA THR A 4 -10.222 1.843 -7.542 1.00 0.00 C ATOM 45 C THR A 4 -9.546 1.108 -6.383 1.00 0.00 C ATOM 46 O THR A 4 -8.590 0.362 -6.589 1.00 0.00 O ATOM 47 CB THR A 4 -11.649 1.362 -7.817 1.00 0.00 C ATOM 48 OG1 THR A 4 -12.473 2.390 -7.272 1.00 0.00 O ATOM 49 CG2 THR A 4 -12.016 0.120 -7.003 1.00 0.00 C ATOM 0 H THR A 4 -8.656 1.047 -8.685 1.00 0.00 H new ATOM 0 HA THR A 4 -10.269 2.889 -7.239 1.00 0.00 H new ATOM 0 HB THR A 4 -11.760 1.145 -8.879 1.00 0.00 H new ATOM 0 HG1 THR A 4 -13.416 2.160 -7.408 1.00 0.00 H new ATOM 0 HG21 THR A 4 -13.038 -0.179 -7.236 1.00 0.00 H new ATOM 0 HG22 THR A 4 -11.334 -0.693 -7.253 1.00 0.00 H new ATOM 0 HG23 THR A 4 -11.938 0.346 -5.940 1.00 0.00 H new ATOM 57 N GLN A 5 -10.070 1.344 -5.189 1.00 0.00 N ATOM 58 CA GLN A 5 -9.529 0.713 -3.997 1.00 0.00 C ATOM 59 C GLN A 5 -9.357 -0.791 -4.222 1.00 0.00 C ATOM 60 O GLN A 5 -8.235 -1.282 -4.332 1.00 0.00 O ATOM 61 CB GLN A 5 -10.416 0.987 -2.781 1.00 0.00 C ATOM 62 CG GLN A 5 -9.784 0.430 -1.504 1.00 0.00 C ATOM 63 CD GLN A 5 -8.783 1.422 -0.910 1.00 0.00 C ATOM 64 OE1 GLN A 5 -7.603 1.433 -1.524 1.00 0.00 O flip ATOM 65 NE2 GLN A 5 -9.063 2.130 0.043 1.00 0.00 N flip ATOM 0 H GLN A 5 -10.863 1.963 -5.022 1.00 0.00 H new ATOM 0 HA GLN A 5 -8.548 1.144 -3.796 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -10.572 2.061 -2.675 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -11.396 0.535 -2.933 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -10.563 0.213 -0.773 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -9.281 -0.512 -1.724 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -9.989 2.071 0.468 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -8.372 2.781 0.415 1.00 0.00 H new ATOM 72 N GLU A 6 -10.487 -1.480 -4.287 1.00 0.00 N ATOM 73 CA GLU A 6 -10.477 -2.917 -4.498 1.00 0.00 C ATOM 74 C GLU A 6 -9.568 -3.274 -5.675 1.00 0.00 C ATOM 75 O GLU A 6 -9.119 -4.412 -5.795 1.00 0.00 O ATOM 76 CB GLU A 6 -11.894 -3.450 -4.718 1.00 0.00 C ATOM 77 CG GLU A 6 -12.400 -4.190 -3.479 1.00 0.00 C ATOM 78 CD GLU A 6 -13.834 -3.775 -3.139 1.00 0.00 C ATOM 79 OE1 GLU A 6 -14.725 -4.633 -3.062 1.00 0.00 O ATOM 80 OE2 GLU A 6 -14.004 -2.510 -2.951 1.00 0.00 O ATOM 0 H GLU A 6 -11.416 -1.069 -4.197 1.00 0.00 H new ATOM 0 HA GLU A 6 -10.081 -3.393 -3.601 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -12.565 -2.623 -4.952 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -11.905 -4.121 -5.577 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -12.360 -5.265 -3.652 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -11.746 -3.979 -2.633 1.00 0.00 H new ATOM 86 N GLU A 7 -9.324 -2.278 -6.516 1.00 0.00 N ATOM 87 CA GLU A 7 -8.476 -2.473 -7.681 1.00 0.00 C ATOM 88 C GLU A 7 -7.007 -2.549 -7.260 1.00 0.00 C ATOM 89 O GLU A 7 -6.262 -3.398 -7.748 1.00 0.00 O ATOM 90 CB GLU A 7 -8.696 -1.363 -8.710 1.00 0.00 C ATOM 91 CG GLU A 7 -9.139 -1.942 -10.055 1.00 0.00 C ATOM 92 CD GLU A 7 -10.509 -1.396 -10.462 1.00 0.00 C ATOM 93 OE1 GLU A 7 -10.794 -0.210 -10.241 1.00 0.00 O ATOM 94 OE2 GLU A 7 -11.291 -2.252 -11.027 1.00 0.00 O ATOM 0 H GLU A 7 -9.698 -1.335 -6.414 1.00 0.00 H new ATOM 0 HA GLU A 7 -8.748 -3.418 -8.152 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -9.450 -0.667 -8.344 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -7.775 -0.795 -8.840 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -8.403 -1.696 -10.821 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -9.181 -3.029 -9.991 1.00 0.00 H new ATOM 100 N ILE A 8 -6.634 -1.651 -6.361 1.00 0.00 N ATOM 101 CA ILE A 8 -5.267 -1.606 -5.870 1.00 0.00 C ATOM 102 C ILE A 8 -5.162 -2.437 -4.589 1.00 0.00 C ATOM 103 O ILE A 8 -4.077 -2.591 -4.032 1.00 0.00 O ATOM 104 CB ILE A 8 -4.806 -0.157 -5.702 1.00 0.00 C ATOM 105 CG1 ILE A 8 -5.371 0.730 -6.812 1.00 0.00 C ATOM 106 CG2 ILE A 8 -3.280 -0.073 -5.621 1.00 0.00 C ATOM 107 CD1 ILE A 8 -5.155 2.212 -6.495 1.00 0.00 C ATOM 0 H ILE A 8 -7.255 -0.948 -5.959 1.00 0.00 H new ATOM 0 HA ILE A 8 -4.587 -2.051 -6.596 1.00 0.00 H new ATOM 0 HB ILE A 8 -5.199 0.220 -4.758 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -4.891 0.483 -7.759 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -6.436 0.532 -6.934 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -2.979 0.968 -5.502 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -2.928 -0.653 -4.767 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -2.844 -0.474 -6.536 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -5.566 2.820 -7.301 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -5.657 2.461 -5.560 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -4.088 2.412 -6.398 1.00 0.00 H new ATOM 118 N ILE A 9 -6.305 -2.952 -4.160 1.00 0.00 N ATOM 119 CA ILE A 9 -6.355 -3.763 -2.956 1.00 0.00 C ATOM 120 C ILE A 9 -6.539 -5.232 -3.344 1.00 0.00 C ATOM 121 O ILE A 9 -5.926 -6.116 -2.746 1.00 0.00 O ATOM 122 CB ILE A 9 -7.430 -3.240 -2.001 1.00 0.00 C ATOM 123 CG1 ILE A 9 -7.117 -1.810 -1.554 1.00 0.00 C ATOM 124 CG2 ILE A 9 -7.615 -4.185 -0.813 1.00 0.00 C ATOM 125 CD1 ILE A 9 -7.736 -1.516 -0.186 1.00 0.00 C ATOM 0 H ILE A 9 -7.204 -2.823 -4.625 1.00 0.00 H new ATOM 0 HA ILE A 9 -5.415 -3.692 -2.409 1.00 0.00 H new ATOM 0 HB ILE A 9 -8.378 -3.209 -2.538 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -6.037 -1.668 -1.507 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -7.500 -1.103 -2.290 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -8.385 -3.790 -0.150 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -7.917 -5.168 -1.174 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -6.675 -4.272 -0.267 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -7.499 -0.494 0.109 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -8.818 -1.635 -0.243 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -7.333 -2.209 0.552 1.00 0.00 H new ATOM 136 N ALA A 10 -7.385 -5.447 -4.339 1.00 0.00 N ATOM 137 CA ALA A 10 -7.658 -6.793 -4.813 1.00 0.00 C ATOM 138 C ALA A 10 -6.735 -7.111 -5.992 1.00 0.00 C ATOM 139 O ALA A 10 -6.271 -8.241 -6.134 1.00 0.00 O ATOM 140 CB ALA A 10 -9.138 -6.915 -5.183 1.00 0.00 C ATOM 0 H ALA A 10 -7.891 -4.711 -4.831 1.00 0.00 H new ATOM 0 HA ALA A 10 -7.457 -7.523 -4.029 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -9.342 -7.925 -5.539 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -9.751 -6.708 -4.305 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -9.377 -6.199 -5.969 1.00 0.00 H new ATOM 146 N GLY A 11 -6.498 -6.093 -6.807 1.00 0.00 N ATOM 147 CA GLY A 11 -5.640 -6.250 -7.970 1.00 0.00 C ATOM 148 C GLY A 11 -4.183 -6.460 -7.551 1.00 0.00 C ATOM 149 O GLY A 11 -3.473 -7.269 -8.144 1.00 0.00 O ATOM 0 H GLY A 11 -6.885 -5.157 -6.685 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -5.978 -7.099 -8.564 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -5.716 -5.367 -8.605 1.00 0.00 H new ATOM 153 N ILE A 12 -3.781 -5.715 -6.530 1.00 0.00 N ATOM 154 CA ILE A 12 -2.422 -5.810 -6.025 1.00 0.00 C ATOM 155 C ILE A 12 -2.298 -7.048 -5.135 1.00 0.00 C ATOM 156 O ILE A 12 -1.416 -7.880 -5.343 1.00 0.00 O ATOM 157 CB ILE A 12 -2.018 -4.509 -5.328 1.00 0.00 C ATOM 158 CG1 ILE A 12 -1.905 -3.361 -6.333 1.00 0.00 C ATOM 159 CG2 ILE A 12 -0.731 -4.695 -4.523 1.00 0.00 C ATOM 160 CD1 ILE A 12 -0.723 -2.450 -5.994 1.00 0.00 C ATOM 0 H ILE A 12 -4.373 -5.044 -6.040 1.00 0.00 H new ATOM 0 HA ILE A 12 -1.718 -5.937 -6.847 1.00 0.00 H new ATOM 0 HB ILE A 12 -2.804 -4.242 -4.621 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -1.782 -3.764 -7.338 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -2.828 -2.781 -6.333 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.466 -3.755 -4.038 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -0.883 -5.464 -3.766 1.00 0.00 H new ATOM 0 HG23 ILE A 12 0.075 -4.998 -5.191 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -0.665 -1.642 -6.724 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -0.861 -2.030 -4.998 1.00 0.00 H new ATOM 0 HD13 ILE A 12 0.201 -3.028 -6.019 1.00 0.00 H new ATOM 171 N ALA A 13 -3.195 -7.131 -4.163 1.00 0.00 N ATOM 172 CA ALA A 13 -3.197 -8.255 -3.241 1.00 0.00 C ATOM 173 C ALA A 13 -2.906 -9.543 -4.013 1.00 0.00 C ATOM 174 O ALA A 13 -2.054 -10.334 -3.609 1.00 0.00 O ATOM 175 CB ALA A 13 -4.536 -8.308 -2.503 1.00 0.00 C ATOM 0 H ALA A 13 -3.925 -6.439 -3.994 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.415 -8.137 -2.490 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -4.537 -9.151 -1.812 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.682 -7.382 -1.947 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -5.344 -8.429 -3.224 1.00 0.00 H new ATOM 181 N GLU A 14 -3.627 -9.714 -5.110 1.00 0.00 N ATOM 182 CA GLU A 14 -3.457 -10.893 -5.943 1.00 0.00 C ATOM 183 C GLU A 14 -2.024 -10.964 -6.475 1.00 0.00 C ATOM 184 O GLU A 14 -1.416 -12.033 -6.491 1.00 0.00 O ATOM 185 CB GLU A 14 -4.469 -10.906 -7.089 1.00 0.00 C ATOM 186 CG GLU A 14 -5.784 -11.557 -6.653 1.00 0.00 C ATOM 187 CD GLU A 14 -5.647 -13.080 -6.590 1.00 0.00 C ATOM 188 OE1 GLU A 14 -4.763 -13.595 -5.891 1.00 0.00 O ATOM 189 OE2 GLU A 14 -6.502 -13.734 -7.301 1.00 0.00 O ATOM 0 H GLU A 14 -4.331 -9.055 -5.442 1.00 0.00 H new ATOM 0 HA GLU A 14 -3.641 -11.776 -5.331 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -4.658 -9.886 -7.424 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -4.055 -11.449 -7.939 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -6.077 -11.174 -5.676 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -6.576 -11.288 -7.352 1.00 0.00 H new ATOM 195 N ILE A 15 -1.527 -9.812 -6.900 1.00 0.00 N ATOM 196 CA ILE A 15 -0.178 -9.729 -7.432 1.00 0.00 C ATOM 197 C ILE A 15 0.825 -10.046 -6.320 1.00 0.00 C ATOM 198 O ILE A 15 1.755 -10.825 -6.522 1.00 0.00 O ATOM 199 CB ILE A 15 0.054 -8.372 -8.099 1.00 0.00 C ATOM 200 CG1 ILE A 15 -0.749 -8.255 -9.396 1.00 0.00 C ATOM 201 CG2 ILE A 15 1.545 -8.117 -8.323 1.00 0.00 C ATOM 202 CD1 ILE A 15 -0.588 -6.866 -10.018 1.00 0.00 C ATOM 0 H ILE A 15 -2.035 -8.928 -6.887 1.00 0.00 H new ATOM 0 HA ILE A 15 -0.033 -10.472 -8.216 1.00 0.00 H new ATOM 0 HB ILE A 15 -0.306 -7.595 -7.425 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -0.417 -9.015 -10.103 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -1.803 -8.447 -9.194 1.00 0.00 H new ATOM 0 HG21 ILE A 15 1.681 -7.146 -8.798 1.00 0.00 H new ATOM 0 HG22 ILE A 15 2.064 -8.128 -7.365 1.00 0.00 H new ATOM 0 HG23 ILE A 15 1.955 -8.896 -8.966 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -1.169 -6.810 -10.939 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -0.944 -6.110 -9.318 1.00 0.00 H new ATOM 0 HD13 ILE A 15 0.464 -6.687 -10.241 1.00 0.00 H new ATOM 213 N ILE A 16 0.601 -9.427 -5.171 1.00 0.00 N ATOM 214 CA ILE A 16 1.472 -9.633 -4.027 1.00 0.00 C ATOM 215 C ILE A 16 1.587 -11.133 -3.743 1.00 0.00 C ATOM 216 O ILE A 16 2.611 -11.597 -3.244 1.00 0.00 O ATOM 217 CB ILE A 16 0.987 -8.816 -2.828 1.00 0.00 C ATOM 218 CG1 ILE A 16 0.887 -7.331 -3.182 1.00 0.00 C ATOM 219 CG2 ILE A 16 1.875 -9.055 -1.605 1.00 0.00 C ATOM 220 CD1 ILE A 16 0.534 -6.496 -1.950 1.00 0.00 C ATOM 0 H ILE A 16 -0.172 -8.782 -5.007 1.00 0.00 H new ATOM 0 HA ILE A 16 2.477 -9.270 -4.244 1.00 0.00 H new ATOM 0 HB ILE A 16 -0.016 -9.154 -2.568 1.00 0.00 H new ATOM 0 HG12 ILE A 16 1.834 -6.988 -3.599 1.00 0.00 H new ATOM 0 HG13 ILE A 16 0.129 -7.187 -3.952 1.00 0.00 H new ATOM 0 HG21 ILE A 16 1.508 -8.462 -0.767 1.00 0.00 H new ATOM 0 HG22 ILE A 16 1.852 -10.112 -1.339 1.00 0.00 H new ATOM 0 HG23 ILE A 16 2.899 -8.761 -1.836 1.00 0.00 H new ATOM 0 HD11 ILE A 16 0.469 -5.444 -2.230 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -0.425 -6.825 -1.550 1.00 0.00 H new ATOM 0 HD13 ILE A 16 1.306 -6.623 -1.191 1.00 0.00 H new ATOM 231 N GLU A 17 0.522 -11.848 -4.073 1.00 0.00 N ATOM 232 CA GLU A 17 0.490 -13.285 -3.859 1.00 0.00 C ATOM 233 C GLU A 17 1.245 -14.005 -4.978 1.00 0.00 C ATOM 234 O GLU A 17 1.250 -15.233 -5.038 1.00 0.00 O ATOM 235 CB GLU A 17 -0.949 -13.793 -3.754 1.00 0.00 C ATOM 236 CG GLU A 17 -0.986 -15.244 -3.274 1.00 0.00 C ATOM 237 CD GLU A 17 -1.400 -16.185 -4.408 1.00 0.00 C ATOM 238 OE1 GLU A 17 -0.992 -15.985 -5.560 1.00 0.00 O ATOM 239 OE2 GLU A 17 -2.173 -17.155 -4.055 1.00 0.00 O ATOM 0 H GLU A 17 -0.325 -11.459 -4.487 1.00 0.00 H new ATOM 0 HA GLU A 17 0.986 -13.502 -2.913 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.511 -13.164 -3.064 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -1.437 -13.715 -4.725 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -0.004 -15.532 -2.898 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -1.686 -15.339 -2.444 1.00 0.00 H new ATOM 245 N GLU A 18 1.865 -13.209 -5.838 1.00 0.00 N ATOM 246 CA GLU A 18 2.621 -13.754 -6.951 1.00 0.00 C ATOM 247 C GLU A 18 4.116 -13.497 -6.755 1.00 0.00 C ATOM 248 O GLU A 18 4.936 -14.393 -6.955 1.00 0.00 O ATOM 249 CB GLU A 18 2.135 -13.174 -8.281 1.00 0.00 C ATOM 250 CG GLU A 18 0.628 -13.379 -8.450 1.00 0.00 C ATOM 251 CD GLU A 18 0.331 -14.333 -9.609 1.00 0.00 C ATOM 252 OE1 GLU A 18 0.247 -13.896 -10.766 1.00 0.00 O ATOM 253 OE2 GLU A 18 0.186 -15.570 -9.273 1.00 0.00 O ATOM 0 H GLU A 18 1.858 -12.190 -5.785 1.00 0.00 H new ATOM 0 HA GLU A 18 2.459 -14.831 -6.981 1.00 0.00 H new ATOM 0 HB2 GLU A 18 2.368 -12.110 -8.325 1.00 0.00 H new ATOM 0 HB3 GLU A 18 2.665 -13.651 -9.105 1.00 0.00 H new ATOM 0 HG2 GLU A 18 0.206 -13.779 -7.528 1.00 0.00 H new ATOM 0 HG3 GLU A 18 0.145 -12.419 -8.632 1.00 0.00 H new ATOM 259 N VAL A 19 4.427 -12.270 -6.365 1.00 0.00 N ATOM 260 CA VAL A 19 5.808 -11.882 -6.140 1.00 0.00 C ATOM 261 C VAL A 19 6.270 -12.423 -4.784 1.00 0.00 C ATOM 262 O VAL A 19 7.223 -13.197 -4.713 1.00 0.00 O ATOM 263 CB VAL A 19 5.953 -10.363 -6.258 1.00 0.00 C ATOM 264 CG1 VAL A 19 7.423 -9.963 -6.405 1.00 0.00 C ATOM 265 CG2 VAL A 19 5.118 -9.822 -7.420 1.00 0.00 C ATOM 0 H VAL A 19 3.744 -11.530 -6.199 1.00 0.00 H new ATOM 0 HA VAL A 19 6.455 -12.316 -6.902 1.00 0.00 H new ATOM 0 HB VAL A 19 5.575 -9.917 -5.338 1.00 0.00 H new ATOM 0 HG11 VAL A 19 7.499 -8.879 -6.487 1.00 0.00 H new ATOM 0 HG12 VAL A 19 7.981 -10.301 -5.532 1.00 0.00 H new ATOM 0 HG13 VAL A 19 7.838 -10.424 -7.301 1.00 0.00 H new ATOM 0 HG21 VAL A 19 5.239 -8.740 -7.482 1.00 0.00 H new ATOM 0 HG22 VAL A 19 5.452 -10.278 -8.352 1.00 0.00 H new ATOM 0 HG23 VAL A 19 4.067 -10.061 -7.255 1.00 0.00 H new ATOM 275 N THR A 20 5.572 -11.993 -3.743 1.00 0.00 N ATOM 276 CA THR A 20 5.898 -12.424 -2.395 1.00 0.00 C ATOM 277 C THR A 20 5.219 -13.760 -2.083 1.00 0.00 C ATOM 278 O THR A 20 5.745 -14.562 -1.312 1.00 0.00 O ATOM 279 CB THR A 20 5.504 -11.303 -1.431 1.00 0.00 C ATOM 280 OG1 THR A 20 4.079 -11.319 -1.446 1.00 0.00 O ATOM 281 CG2 THR A 20 5.867 -9.917 -1.967 1.00 0.00 C ATOM 0 H THR A 20 4.782 -11.351 -3.806 1.00 0.00 H new ATOM 0 HA THR A 20 6.967 -12.605 -2.286 1.00 0.00 H new ATOM 0 HB THR A 20 5.994 -11.460 -0.470 1.00 0.00 H new ATOM 0 HG1 THR A 20 3.762 -11.392 -2.371 1.00 0.00 H new ATOM 0 HG21 THR A 20 5.566 -9.158 -1.245 1.00 0.00 H new ATOM 0 HG22 THR A 20 6.944 -9.859 -2.127 1.00 0.00 H new ATOM 0 HG23 THR A 20 5.350 -9.745 -2.911 1.00 0.00 H new ATOM 289 N GLY A 21 4.062 -13.957 -2.698 1.00 0.00 N ATOM 290 CA GLY A 21 3.307 -15.181 -2.495 1.00 0.00 C ATOM 291 C GLY A 21 2.484 -15.112 -1.207 1.00 0.00 C ATOM 292 O GLY A 21 2.241 -16.133 -0.565 1.00 0.00 O ATOM 0 H GLY A 21 3.629 -13.290 -3.337 1.00 0.00 H new ATOM 0 HA2 GLY A 21 2.645 -15.349 -3.345 1.00 0.00 H new ATOM 0 HA3 GLY A 21 3.989 -16.030 -2.449 1.00 0.00 H new ATOM 296 N ILE A 22 2.080 -13.897 -0.866 1.00 0.00 N ATOM 297 CA ILE A 22 1.290 -13.680 0.334 1.00 0.00 C ATOM 298 C ILE A 22 -0.196 -13.792 -0.011 1.00 0.00 C ATOM 299 O ILE A 22 -0.568 -13.771 -1.183 1.00 0.00 O ATOM 300 CB ILE A 22 1.670 -12.353 0.994 1.00 0.00 C ATOM 301 CG1 ILE A 22 3.104 -12.398 1.530 1.00 0.00 C ATOM 302 CG2 ILE A 22 0.664 -11.973 2.082 1.00 0.00 C ATOM 303 CD1 ILE A 22 3.716 -10.997 1.575 1.00 0.00 C ATOM 0 H ILE A 22 2.285 -13.052 -1.400 1.00 0.00 H new ATOM 0 HA ILE A 22 1.504 -14.450 1.075 1.00 0.00 H new ATOM 0 HB ILE A 22 1.633 -11.572 0.235 1.00 0.00 H new ATOM 0 HG12 ILE A 22 3.109 -12.833 2.529 1.00 0.00 H new ATOM 0 HG13 ILE A 22 3.712 -13.044 0.898 1.00 0.00 H new ATOM 0 HG21 ILE A 22 0.958 -11.026 2.535 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -0.328 -11.872 1.641 1.00 0.00 H new ATOM 0 HG23 ILE A 22 0.644 -12.750 2.846 1.00 0.00 H new ATOM 0 HD11 ILE A 22 4.734 -11.057 1.959 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.732 -10.574 0.570 1.00 0.00 H new ATOM 0 HD13 ILE A 22 3.119 -10.360 2.227 1.00 0.00 H new ATOM 314 N GLU A 23 -1.006 -13.907 1.031 1.00 0.00 N ATOM 315 CA GLU A 23 -2.443 -14.020 0.852 1.00 0.00 C ATOM 316 C GLU A 23 -3.011 -12.725 0.269 1.00 0.00 C ATOM 317 O GLU A 23 -2.493 -11.641 0.534 1.00 0.00 O ATOM 318 CB GLU A 23 -3.134 -14.376 2.171 1.00 0.00 C ATOM 319 CG GLU A 23 -3.646 -15.817 2.151 1.00 0.00 C ATOM 320 CD GLU A 23 -2.648 -16.765 2.818 1.00 0.00 C ATOM 321 OE1 GLU A 23 -1.954 -16.366 3.767 1.00 0.00 O ATOM 322 OE2 GLU A 23 -2.606 -17.953 2.319 1.00 0.00 O ATOM 0 H GLU A 23 -0.694 -13.924 2.002 1.00 0.00 H new ATOM 0 HA GLU A 23 -2.638 -14.828 0.147 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.436 -14.246 2.998 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -3.966 -13.693 2.346 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -4.605 -15.873 2.666 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -3.818 -16.131 1.121 1.00 0.00 H new ATOM 328 N PRO A 24 -4.096 -12.883 -0.536 1.00 0.00 N ATOM 329 CA PRO A 24 -4.738 -11.739 -1.161 1.00 0.00 C ATOM 330 C PRO A 24 -5.567 -10.953 -0.141 1.00 0.00 C ATOM 331 O PRO A 24 -5.416 -9.739 -0.018 1.00 0.00 O ATOM 332 CB PRO A 24 -5.578 -12.324 -2.284 1.00 0.00 C ATOM 333 CG PRO A 24 -5.741 -13.800 -1.957 1.00 0.00 C ATOM 334 CD PRO A 24 -4.735 -14.152 -0.873 1.00 0.00 C ATOM 0 HA PRO A 24 -4.022 -11.016 -1.553 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -6.547 -11.828 -2.346 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -5.089 -12.189 -3.249 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -6.756 -14.006 -1.617 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -5.573 -14.409 -2.846 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -5.226 -14.591 -0.005 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -4.006 -14.880 -1.230 1.00 0.00 H new ATOM 339 N SER A 25 -6.424 -11.678 0.562 1.00 0.00 N ATOM 340 CA SER A 25 -7.275 -11.064 1.566 1.00 0.00 C ATOM 341 C SER A 25 -6.418 -10.433 2.665 1.00 0.00 C ATOM 342 O SER A 25 -6.856 -9.504 3.343 1.00 0.00 O ATOM 343 CB SER A 25 -8.242 -12.085 2.167 1.00 0.00 C ATOM 344 OG SER A 25 -9.586 -11.610 2.174 1.00 0.00 O ATOM 0 H SER A 25 -6.547 -12.685 0.456 1.00 0.00 H new ATOM 0 HA SER A 25 -7.865 -10.285 1.083 1.00 0.00 H new ATOM 0 HB2 SER A 25 -8.189 -13.013 1.598 1.00 0.00 H new ATOM 0 HB3 SER A 25 -7.935 -12.318 3.186 1.00 0.00 H new ATOM 0 HG SER A 25 -10.172 -12.292 2.564 1.00 0.00 H new ATOM 349 N GLU A 26 -5.212 -10.963 2.808 1.00 0.00 N ATOM 350 CA GLU A 26 -4.290 -10.463 3.813 1.00 0.00 C ATOM 351 C GLU A 26 -3.929 -9.005 3.525 1.00 0.00 C ATOM 352 O GLU A 26 -3.900 -8.177 4.434 1.00 0.00 O ATOM 353 CB GLU A 26 -3.034 -11.333 3.886 1.00 0.00 C ATOM 354 CG GLU A 26 -2.372 -11.228 5.261 1.00 0.00 C ATOM 355 CD GLU A 26 -1.036 -11.973 5.286 1.00 0.00 C ATOM 356 OE1 GLU A 26 -1.017 -13.208 5.385 1.00 0.00 O ATOM 357 OE2 GLU A 26 0.009 -11.221 5.197 1.00 0.00 O ATOM 0 H GLU A 26 -4.852 -11.734 2.245 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.783 -10.510 4.784 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -3.295 -12.372 3.683 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -2.329 -11.024 3.115 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -2.212 -10.179 5.512 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -3.036 -11.640 6.021 1.00 0.00 H new ATOM 363 N ILE A 27 -3.664 -8.734 2.255 1.00 0.00 N ATOM 364 CA ILE A 27 -3.306 -7.390 1.835 1.00 0.00 C ATOM 365 C ILE A 27 -4.452 -6.433 2.171 1.00 0.00 C ATOM 366 O ILE A 27 -5.610 -6.714 1.864 1.00 0.00 O ATOM 367 CB ILE A 27 -2.908 -7.377 0.358 1.00 0.00 C ATOM 368 CG1 ILE A 27 -1.447 -7.794 0.181 1.00 0.00 C ATOM 369 CG2 ILE A 27 -3.197 -6.015 -0.277 1.00 0.00 C ATOM 370 CD1 ILE A 27 -1.057 -8.873 1.192 1.00 0.00 C ATOM 0 H ILE A 27 -3.690 -9.423 1.503 1.00 0.00 H new ATOM 0 HA ILE A 27 -2.429 -7.042 2.380 1.00 0.00 H new ATOM 0 HB ILE A 27 -3.519 -8.112 -0.167 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -1.292 -8.167 -0.832 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -0.800 -6.925 0.304 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -2.905 -6.034 -1.327 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -4.262 -5.797 -0.201 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -2.630 -5.243 0.244 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -0.013 -9.151 1.043 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.190 -8.489 2.203 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -1.689 -9.750 1.051 1.00 0.00 H new ATOM 381 N THR A 28 -4.090 -5.323 2.797 1.00 0.00 N ATOM 382 CA THR A 28 -5.074 -4.324 3.178 1.00 0.00 C ATOM 383 C THR A 28 -4.462 -2.922 3.117 1.00 0.00 C ATOM 384 O THR A 28 -3.242 -2.776 3.055 1.00 0.00 O ATOM 385 CB THR A 28 -5.611 -4.693 4.562 1.00 0.00 C ATOM 386 OG1 THR A 28 -4.493 -5.278 5.224 1.00 0.00 O ATOM 387 CG2 THR A 28 -6.644 -5.820 4.508 1.00 0.00 C ATOM 0 H THR A 28 -3.129 -5.093 3.050 1.00 0.00 H new ATOM 0 HA THR A 28 -5.913 -4.309 2.482 1.00 0.00 H new ATOM 0 HB THR A 28 -6.058 -3.813 5.024 1.00 0.00 H new ATOM 0 HG1 THR A 28 -4.443 -6.231 5.001 1.00 0.00 H new ATOM 0 HG21 THR A 28 -6.993 -6.043 5.516 1.00 0.00 H new ATOM 0 HG22 THR A 28 -7.488 -5.510 3.892 1.00 0.00 H new ATOM 0 HG23 THR A 28 -6.188 -6.711 4.077 1.00 0.00 H new ATOM 395 N PRO A 29 -5.360 -1.902 3.140 1.00 0.00 N ATOM 396 CA PRO A 29 -4.921 -0.518 3.088 1.00 0.00 C ATOM 397 C PRO A 29 -4.336 -0.078 4.432 1.00 0.00 C ATOM 398 O PRO A 29 -4.624 1.018 4.909 1.00 0.00 O ATOM 399 CB PRO A 29 -6.158 0.273 2.691 1.00 0.00 C ATOM 400 CG PRO A 29 -7.343 -0.631 2.989 1.00 0.00 C ATOM 401 CD PRO A 29 -6.812 -2.038 3.215 1.00 0.00 C ATOM 0 HA PRO A 29 -4.116 -0.359 2.371 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -6.225 1.203 3.255 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -6.128 0.542 1.635 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -7.879 -0.279 3.871 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -8.050 -0.619 2.160 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -7.124 -2.428 4.184 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -7.185 -2.728 2.458 1.00 0.00 H new ATOM 406 N GLU A 30 -3.524 -0.955 5.003 1.00 0.00 N ATOM 407 CA GLU A 30 -2.895 -0.671 6.281 1.00 0.00 C ATOM 408 C GLU A 30 -1.408 -1.029 6.233 1.00 0.00 C ATOM 409 O GLU A 30 -0.609 -0.479 6.989 1.00 0.00 O ATOM 410 CB GLU A 30 -3.601 -1.414 7.416 1.00 0.00 C ATOM 411 CG GLU A 30 -5.001 -0.844 7.658 1.00 0.00 C ATOM 412 CD GLU A 30 -5.031 0.020 8.919 1.00 0.00 C ATOM 413 OE1 GLU A 30 -5.668 -0.357 9.914 1.00 0.00 O ATOM 414 OE2 GLU A 30 -4.361 1.121 8.843 1.00 0.00 O ATOM 0 H GLU A 30 -3.287 -1.863 4.604 1.00 0.00 H new ATOM 0 HA GLU A 30 -2.985 0.397 6.478 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -3.673 -2.474 7.172 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -3.010 -1.337 8.329 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -5.309 -0.249 6.798 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -5.718 -1.659 7.755 1.00 0.00 H new ATOM 420 N LYS A 31 -1.083 -1.948 5.336 1.00 0.00 N ATOM 421 CA LYS A 31 0.294 -2.386 5.180 1.00 0.00 C ATOM 422 C LYS A 31 1.216 -1.166 5.191 1.00 0.00 C ATOM 423 O LYS A 31 0.755 -0.033 5.068 1.00 0.00 O ATOM 424 CB LYS A 31 0.440 -3.256 3.929 1.00 0.00 C ATOM 425 CG LYS A 31 -0.564 -4.411 3.944 1.00 0.00 C ATOM 426 CD LYS A 31 0.112 -5.731 3.573 1.00 0.00 C ATOM 427 CE LYS A 31 -0.078 -6.774 4.677 1.00 0.00 C ATOM 428 NZ LYS A 31 1.029 -7.756 4.659 1.00 0.00 N ATOM 0 H LYS A 31 -1.749 -2.401 4.710 1.00 0.00 H new ATOM 0 HA LYS A 31 0.591 -3.018 6.017 1.00 0.00 H new ATOM 0 HB2 LYS A 31 0.286 -2.647 3.038 1.00 0.00 H new ATOM 0 HB3 LYS A 31 1.454 -3.652 3.873 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -1.013 -4.494 4.934 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.373 -4.203 3.243 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -0.304 -6.106 2.638 1.00 0.00 H new ATOM 0 HD3 LYS A 31 1.176 -5.564 3.405 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -0.119 -6.281 5.648 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -1.030 -7.288 4.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 1.105 -8.211 5.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 0.840 -8.479 3.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 1.921 -7.269 4.438 1.00 0.00 H new ATOM 437 N SER A 32 2.505 -1.440 5.339 1.00 0.00 N ATOM 438 CA SER A 32 3.498 -0.379 5.369 1.00 0.00 C ATOM 439 C SER A 32 4.543 -0.610 4.276 1.00 0.00 C ATOM 440 O SER A 32 5.596 0.026 4.276 1.00 0.00 O ATOM 441 CB SER A 32 4.171 -0.293 6.739 1.00 0.00 C ATOM 442 OG SER A 32 4.343 1.056 7.165 1.00 0.00 O ATOM 0 H SER A 32 2.884 -2.382 5.439 1.00 0.00 H new ATOM 0 HA SER A 32 2.992 0.569 5.184 1.00 0.00 H new ATOM 0 HB2 SER A 32 3.570 -0.831 7.472 1.00 0.00 H new ATOM 0 HB3 SER A 32 5.142 -0.787 6.698 1.00 0.00 H new ATOM 0 HG SER A 32 4.775 1.069 8.045 1.00 0.00 H new ATOM 447 N PHE A 33 4.217 -1.523 3.373 1.00 0.00 N ATOM 448 CA PHE A 33 5.116 -1.848 2.278 1.00 0.00 C ATOM 449 C PHE A 33 6.229 -2.789 2.742 1.00 0.00 C ATOM 450 O PHE A 33 6.727 -3.598 1.962 1.00 0.00 O ATOM 451 CB PHE A 33 5.739 -0.531 1.808 1.00 0.00 C ATOM 452 CG PHE A 33 5.872 -0.414 0.288 1.00 0.00 C ATOM 453 CD1 PHE A 33 4.832 0.056 -0.451 1.00 0.00 C ATOM 454 CD2 PHE A 33 7.030 -0.780 -0.324 1.00 0.00 C ATOM 455 CE1 PHE A 33 4.955 0.166 -1.861 1.00 0.00 C ATOM 456 CE2 PHE A 33 7.153 -0.672 -1.734 1.00 0.00 C ATOM 457 CZ PHE A 33 6.113 -0.201 -2.473 1.00 0.00 C ATOM 0 H PHE A 33 3.343 -2.048 3.377 1.00 0.00 H new ATOM 0 HA PHE A 33 4.566 -2.347 1.480 1.00 0.00 H new ATOM 0 HB2 PHE A 33 5.133 0.297 2.174 1.00 0.00 H new ATOM 0 HB3 PHE A 33 6.726 -0.427 2.258 1.00 0.00 H new ATOM 0 HD1 PHE A 33 3.912 0.346 0.035 1.00 0.00 H new ATOM 0 HD2 PHE A 33 7.856 -1.153 0.263 1.00 0.00 H new ATOM 0 HE1 PHE A 33 4.129 0.541 -2.448 1.00 0.00 H new ATOM 0 HE2 PHE A 33 8.072 -0.964 -2.220 1.00 0.00 H new ATOM 0 HZ PHE A 33 6.207 -0.118 -3.546 1.00 0.00 H new ATOM 466 N VAL A 34 6.586 -2.652 4.010 1.00 0.00 N ATOM 467 CA VAL A 34 7.631 -3.480 4.587 1.00 0.00 C ATOM 468 C VAL A 34 7.226 -3.890 6.005 1.00 0.00 C ATOM 469 O VAL A 34 7.136 -5.078 6.310 1.00 0.00 O ATOM 470 CB VAL A 34 8.971 -2.742 4.538 1.00 0.00 C ATOM 471 CG1 VAL A 34 9.676 -2.797 5.894 1.00 0.00 C ATOM 472 CG2 VAL A 34 9.865 -3.304 3.431 1.00 0.00 C ATOM 0 H VAL A 34 6.170 -1.980 4.654 1.00 0.00 H new ATOM 0 HA VAL A 34 7.757 -4.394 4.007 1.00 0.00 H new ATOM 0 HB VAL A 34 8.770 -1.696 4.307 1.00 0.00 H new ATOM 0 HG11 VAL A 34 10.626 -2.265 5.832 1.00 0.00 H new ATOM 0 HG12 VAL A 34 9.046 -2.329 6.651 1.00 0.00 H new ATOM 0 HG13 VAL A 34 9.859 -3.836 6.167 1.00 0.00 H new ATOM 0 HG21 VAL A 34 10.811 -2.763 3.417 1.00 0.00 H new ATOM 0 HG22 VAL A 34 10.055 -4.361 3.618 1.00 0.00 H new ATOM 0 HG23 VAL A 34 9.367 -3.189 2.468 1.00 0.00 H new ATOM 482 N ASP A 35 6.993 -2.883 6.834 1.00 0.00 N ATOM 483 CA ASP A 35 6.599 -3.123 8.212 1.00 0.00 C ATOM 484 C ASP A 35 5.656 -4.327 8.266 1.00 0.00 C ATOM 485 O ASP A 35 5.663 -5.083 9.237 1.00 0.00 O ATOM 486 CB ASP A 35 5.859 -1.916 8.793 1.00 0.00 C ATOM 487 CG ASP A 35 5.950 -1.773 10.314 1.00 0.00 C ATOM 488 OD1 ASP A 35 4.943 -1.525 10.993 1.00 0.00 O ATOM 489 OD2 ASP A 35 7.133 -1.928 10.806 1.00 0.00 O ATOM 0 H ASP A 35 7.070 -1.899 6.578 1.00 0.00 H new ATOM 0 HA ASP A 35 7.503 -3.305 8.794 1.00 0.00 H new ATOM 0 HB2 ASP A 35 6.255 -1.010 8.334 1.00 0.00 H new ATOM 0 HB3 ASP A 35 4.808 -1.983 8.512 1.00 0.00 H new ATOM 494 N ASP A 36 4.867 -4.467 7.211 1.00 0.00 N ATOM 495 CA ASP A 36 3.920 -5.567 7.126 1.00 0.00 C ATOM 496 C ASP A 36 4.468 -6.635 6.178 1.00 0.00 C ATOM 497 O ASP A 36 4.810 -7.735 6.608 1.00 0.00 O ATOM 498 CB ASP A 36 2.574 -5.092 6.575 1.00 0.00 C ATOM 499 CG ASP A 36 1.369 -5.385 7.471 1.00 0.00 C ATOM 500 OD1 ASP A 36 0.780 -4.472 8.069 1.00 0.00 O ATOM 501 OD2 ASP A 36 1.032 -6.628 7.542 1.00 0.00 O ATOM 0 H ASP A 36 4.864 -3.838 6.408 1.00 0.00 H new ATOM 0 HA ASP A 36 3.779 -5.969 8.129 1.00 0.00 H new ATOM 0 HB2 ASP A 36 2.628 -4.017 6.404 1.00 0.00 H new ATOM 0 HB3 ASP A 36 2.409 -5.561 5.605 1.00 0.00 H new ATOM 506 N LEU A 37 4.537 -6.273 4.905 1.00 0.00 N ATOM 507 CA LEU A 37 5.038 -7.186 3.893 1.00 0.00 C ATOM 508 C LEU A 37 6.265 -7.920 4.437 1.00 0.00 C ATOM 509 O LEU A 37 6.316 -9.148 4.422 1.00 0.00 O ATOM 510 CB LEU A 37 5.297 -6.443 2.582 1.00 0.00 C ATOM 511 CG LEU A 37 4.056 -5.975 1.818 1.00 0.00 C ATOM 512 CD1 LEU A 37 4.446 -5.254 0.526 1.00 0.00 C ATOM 513 CD2 LEU A 37 3.101 -7.142 1.558 1.00 0.00 C ATOM 0 H LEU A 37 4.254 -5.359 4.552 1.00 0.00 H new ATOM 0 HA LEU A 37 4.290 -7.944 3.660 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.916 -5.572 2.797 1.00 0.00 H new ATOM 0 HB3 LEU A 37 5.878 -7.093 1.928 1.00 0.00 H new ATOM 0 HG LEU A 37 3.524 -5.255 2.439 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.546 -4.932 0.003 1.00 0.00 H new ATOM 0 HD12 LEU A 37 5.057 -4.384 0.765 1.00 0.00 H new ATOM 0 HD13 LEU A 37 5.013 -5.932 -0.112 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.227 -6.783 1.014 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.609 -7.903 0.966 1.00 0.00 H new ATOM 0 HD23 LEU A 37 2.785 -7.572 2.508 1.00 0.00 H new ATOM 524 N ASP A 38 7.224 -7.135 4.906 1.00 0.00 N ATOM 525 CA ASP A 38 8.448 -7.695 5.454 1.00 0.00 C ATOM 526 C ASP A 38 9.231 -8.388 4.338 1.00 0.00 C ATOM 527 O ASP A 38 10.149 -9.162 4.607 1.00 0.00 O ATOM 528 CB ASP A 38 8.143 -8.733 6.534 1.00 0.00 C ATOM 529 CG ASP A 38 9.084 -8.708 7.741 1.00 0.00 C ATOM 530 OD1 ASP A 38 10.138 -9.361 7.743 1.00 0.00 O ATOM 531 OD2 ASP A 38 8.692 -7.968 8.723 1.00 0.00 O ATOM 0 H ASP A 38 7.178 -6.116 4.918 1.00 0.00 H new ATOM 0 HA ASP A 38 9.026 -6.880 5.891 1.00 0.00 H new ATOM 0 HB2 ASP A 38 7.122 -8.581 6.885 1.00 0.00 H new ATOM 0 HB3 ASP A 38 8.180 -9.725 6.084 1.00 0.00 H new ATOM 536 N ILE A 39 8.839 -8.088 3.108 1.00 0.00 N ATOM 537 CA ILE A 39 9.493 -8.674 1.950 1.00 0.00 C ATOM 538 C ILE A 39 10.546 -7.700 1.417 1.00 0.00 C ATOM 539 O ILE A 39 11.433 -8.091 0.660 1.00 0.00 O ATOM 540 CB ILE A 39 8.457 -9.091 0.904 1.00 0.00 C ATOM 541 CG1 ILE A 39 8.920 -10.333 0.140 1.00 0.00 C ATOM 542 CG2 ILE A 39 8.127 -7.929 -0.035 1.00 0.00 C ATOM 543 CD1 ILE A 39 10.282 -10.097 -0.516 1.00 0.00 C ATOM 0 H ILE A 39 8.077 -7.447 2.888 1.00 0.00 H new ATOM 0 HA ILE A 39 10.016 -9.588 2.230 1.00 0.00 H new ATOM 0 HB ILE A 39 7.535 -9.357 1.422 1.00 0.00 H new ATOM 0 HG12 ILE A 39 8.983 -11.181 0.822 1.00 0.00 H new ATOM 0 HG13 ILE A 39 8.185 -10.590 -0.622 1.00 0.00 H new ATOM 0 HG21 ILE A 39 7.388 -8.252 -0.769 1.00 0.00 H new ATOM 0 HG22 ILE A 39 7.724 -7.097 0.543 1.00 0.00 H new ATOM 0 HG23 ILE A 39 9.033 -7.608 -0.549 1.00 0.00 H new ATOM 0 HD11 ILE A 39 10.588 -10.995 -1.053 1.00 0.00 H new ATOM 0 HD12 ILE A 39 10.210 -9.264 -1.215 1.00 0.00 H new ATOM 0 HD13 ILE A 39 11.020 -9.864 0.252 1.00 0.00 H new ATOM 554 N ASP A 40 10.414 -6.449 1.835 1.00 0.00 N ATOM 555 CA ASP A 40 11.343 -5.416 1.410 1.00 0.00 C ATOM 556 C ASP A 40 10.833 -4.778 0.117 1.00 0.00 C ATOM 557 O ASP A 40 9.712 -5.048 -0.313 1.00 0.00 O ATOM 558 CB ASP A 40 12.729 -6.002 1.132 1.00 0.00 C ATOM 559 CG ASP A 40 13.895 -5.033 1.339 1.00 0.00 C ATOM 560 OD1 ASP A 40 13.819 -4.109 2.163 1.00 0.00 O ATOM 561 OD2 ASP A 40 14.930 -5.259 0.603 1.00 0.00 O ATOM 0 H ASP A 40 9.678 -6.128 2.464 1.00 0.00 H new ATOM 0 HA ASP A 40 11.416 -4.679 2.210 1.00 0.00 H new ATOM 0 HB2 ASP A 40 12.877 -6.868 1.778 1.00 0.00 H new ATOM 0 HB3 ASP A 40 12.755 -6.363 0.104 1.00 0.00 H new ATOM 566 N SER A 41 11.680 -3.943 -0.469 1.00 0.00 N ATOM 567 CA SER A 41 11.327 -3.265 -1.704 1.00 0.00 C ATOM 568 C SER A 41 11.692 -4.141 -2.905 1.00 0.00 C ATOM 569 O SER A 41 11.392 -3.792 -4.046 1.00 0.00 O ATOM 570 CB SER A 41 12.027 -1.907 -1.806 1.00 0.00 C ATOM 571 OG SER A 41 13.424 -2.006 -1.543 1.00 0.00 O ATOM 0 H SER A 41 12.609 -3.721 -0.111 1.00 0.00 H new ATOM 0 HA SER A 41 10.251 -3.091 -1.703 1.00 0.00 H new ATOM 0 HB2 SER A 41 11.874 -1.494 -2.803 1.00 0.00 H new ATOM 0 HB3 SER A 41 11.573 -1.211 -1.100 1.00 0.00 H new ATOM 0 HG SER A 41 13.835 -1.120 -1.620 1.00 0.00 H new ATOM 576 N LEU A 42 12.334 -5.261 -2.606 1.00 0.00 N ATOM 577 CA LEU A 42 12.742 -6.189 -3.647 1.00 0.00 C ATOM 578 C LEU A 42 11.500 -6.716 -4.370 1.00 0.00 C ATOM 579 O LEU A 42 11.313 -6.454 -5.558 1.00 0.00 O ATOM 580 CB LEU A 42 13.627 -7.293 -3.064 1.00 0.00 C ATOM 581 CG LEU A 42 15.082 -7.307 -3.537 1.00 0.00 C ATOM 582 CD1 LEU A 42 16.037 -7.546 -2.367 1.00 0.00 C ATOM 583 CD2 LEU A 42 15.282 -8.327 -4.660 1.00 0.00 C ATOM 0 H LEU A 42 12.581 -5.547 -1.659 1.00 0.00 H new ATOM 0 HA LEU A 42 13.354 -5.680 -4.392 1.00 0.00 H new ATOM 0 HB2 LEU A 42 13.620 -7.201 -1.978 1.00 0.00 H new ATOM 0 HB3 LEU A 42 13.178 -8.256 -3.305 1.00 0.00 H new ATOM 0 HG LEU A 42 15.318 -6.325 -3.948 1.00 0.00 H new ATOM 0 HD11 LEU A 42 17.064 -7.551 -2.731 1.00 0.00 H new ATOM 0 HD12 LEU A 42 15.917 -6.751 -1.631 1.00 0.00 H new ATOM 0 HD13 LEU A 42 15.811 -8.506 -1.904 1.00 0.00 H new ATOM 0 HD21 LEU A 42 16.324 -8.318 -4.979 1.00 0.00 H new ATOM 0 HD22 LEU A 42 15.022 -9.322 -4.298 1.00 0.00 H new ATOM 0 HD23 LEU A 42 14.642 -8.069 -5.504 1.00 0.00 H new ATOM 594 N SER A 43 10.686 -7.448 -3.625 1.00 0.00 N ATOM 595 CA SER A 43 9.468 -8.012 -4.181 1.00 0.00 C ATOM 596 C SER A 43 8.475 -6.896 -4.509 1.00 0.00 C ATOM 597 O SER A 43 7.936 -6.845 -5.614 1.00 0.00 O ATOM 598 CB SER A 43 8.836 -9.017 -3.216 1.00 0.00 C ATOM 599 OG SER A 43 7.880 -9.852 -3.863 1.00 0.00 O ATOM 0 H SER A 43 10.846 -7.664 -2.641 1.00 0.00 H new ATOM 0 HA SER A 43 9.725 -8.541 -5.098 1.00 0.00 H new ATOM 0 HB2 SER A 43 9.617 -9.636 -2.774 1.00 0.00 H new ATOM 0 HB3 SER A 43 8.354 -8.481 -2.399 1.00 0.00 H new ATOM 0 HG SER A 43 8.150 -10.790 -3.771 1.00 0.00 H new ATOM 604 N MET A 44 8.264 -6.029 -3.531 1.00 0.00 N ATOM 605 CA MET A 44 7.346 -4.916 -3.702 1.00 0.00 C ATOM 606 C MET A 44 7.619 -4.176 -5.013 1.00 0.00 C ATOM 607 O MET A 44 6.706 -3.615 -5.615 1.00 0.00 O ATOM 608 CB MET A 44 7.494 -3.947 -2.528 1.00 0.00 C ATOM 609 CG MET A 44 6.497 -4.276 -1.415 1.00 0.00 C ATOM 610 SD MET A 44 5.180 -3.072 -1.397 1.00 0.00 S ATOM 611 CE MET A 44 4.069 -3.811 -2.583 1.00 0.00 C ATOM 0 H MET A 44 8.713 -6.074 -2.616 1.00 0.00 H new ATOM 0 HA MET A 44 6.330 -5.309 -3.734 1.00 0.00 H new ATOM 0 HB2 MET A 44 8.510 -3.997 -2.137 1.00 0.00 H new ATOM 0 HB3 MET A 44 7.335 -2.925 -2.873 1.00 0.00 H new ATOM 0 HG2 MET A 44 6.086 -5.274 -1.567 1.00 0.00 H new ATOM 0 HG3 MET A 44 7.006 -4.285 -0.451 1.00 0.00 H new ATOM 0 HE1 MET A 44 3.127 -3.263 -2.590 1.00 0.00 H new ATOM 0 HE2 MET A 44 4.518 -3.773 -3.575 1.00 0.00 H new ATOM 0 HE3 MET A 44 3.882 -4.849 -2.309 1.00 0.00 H new ATOM 619 N VAL A 45 8.881 -4.198 -5.416 1.00 0.00 N ATOM 620 CA VAL A 45 9.286 -3.537 -6.644 1.00 0.00 C ATOM 621 C VAL A 45 8.607 -4.219 -7.834 1.00 0.00 C ATOM 622 O VAL A 45 8.244 -3.560 -8.808 1.00 0.00 O ATOM 623 CB VAL A 45 10.813 -3.525 -6.754 1.00 0.00 C ATOM 624 CG1 VAL A 45 11.260 -3.687 -8.208 1.00 0.00 C ATOM 625 CG2 VAL A 45 11.396 -2.251 -6.138 1.00 0.00 C ATOM 0 H VAL A 45 9.637 -4.664 -4.913 1.00 0.00 H new ATOM 0 HA VAL A 45 8.965 -2.495 -6.640 1.00 0.00 H new ATOM 0 HB VAL A 45 11.197 -4.375 -6.191 1.00 0.00 H new ATOM 0 HG11 VAL A 45 12.349 -3.675 -8.257 1.00 0.00 H new ATOM 0 HG12 VAL A 45 10.889 -4.634 -8.599 1.00 0.00 H new ATOM 0 HG13 VAL A 45 10.861 -2.867 -8.805 1.00 0.00 H new ATOM 0 HG21 VAL A 45 12.482 -2.267 -6.229 1.00 0.00 H new ATOM 0 HG22 VAL A 45 11.001 -1.380 -6.661 1.00 0.00 H new ATOM 0 HG23 VAL A 45 11.121 -2.197 -5.085 1.00 0.00 H new ATOM 635 N GLU A 46 8.457 -5.530 -7.716 1.00 0.00 N ATOM 636 CA GLU A 46 7.828 -6.308 -8.770 1.00 0.00 C ATOM 637 C GLU A 46 6.329 -6.007 -8.829 1.00 0.00 C ATOM 638 O GLU A 46 5.812 -5.616 -9.875 1.00 0.00 O ATOM 639 CB GLU A 46 8.079 -7.804 -8.571 1.00 0.00 C ATOM 640 CG GLU A 46 8.828 -8.398 -9.764 1.00 0.00 C ATOM 641 CD GLU A 46 10.342 -8.316 -9.558 1.00 0.00 C ATOM 642 OE1 GLU A 46 10.943 -9.245 -8.998 1.00 0.00 O ATOM 643 OE2 GLU A 46 10.896 -7.239 -10.004 1.00 0.00 O ATOM 0 H GLU A 46 8.760 -6.073 -6.907 1.00 0.00 H new ATOM 0 HA GLU A 46 8.274 -6.021 -9.722 1.00 0.00 H new ATOM 0 HB2 GLU A 46 8.656 -7.961 -7.660 1.00 0.00 H new ATOM 0 HB3 GLU A 46 7.129 -8.321 -8.440 1.00 0.00 H new ATOM 0 HG2 GLU A 46 8.532 -9.438 -9.902 1.00 0.00 H new ATOM 0 HG3 GLU A 46 8.552 -7.864 -10.673 1.00 0.00 H new ATOM 649 N ILE A 47 5.673 -6.201 -7.695 1.00 0.00 N ATOM 650 CA ILE A 47 4.243 -5.955 -7.605 1.00 0.00 C ATOM 651 C ILE A 47 3.905 -4.664 -8.353 1.00 0.00 C ATOM 652 O ILE A 47 2.925 -4.610 -9.093 1.00 0.00 O ATOM 653 CB ILE A 47 3.791 -5.957 -6.144 1.00 0.00 C ATOM 654 CG1 ILE A 47 3.555 -7.383 -5.644 1.00 0.00 C ATOM 655 CG2 ILE A 47 2.558 -5.071 -5.951 1.00 0.00 C ATOM 656 CD1 ILE A 47 4.403 -7.678 -4.405 1.00 0.00 C ATOM 0 H ILE A 47 6.105 -6.526 -6.830 1.00 0.00 H new ATOM 0 HA ILE A 47 3.686 -6.758 -8.087 1.00 0.00 H new ATOM 0 HB ILE A 47 4.592 -5.532 -5.539 1.00 0.00 H new ATOM 0 HG12 ILE A 47 2.500 -7.519 -5.407 1.00 0.00 H new ATOM 0 HG13 ILE A 47 3.799 -8.094 -6.433 1.00 0.00 H new ATOM 0 HG21 ILE A 47 2.257 -5.090 -4.904 1.00 0.00 H new ATOM 0 HG22 ILE A 47 2.796 -4.048 -6.242 1.00 0.00 H new ATOM 0 HG23 ILE A 47 1.742 -5.444 -6.570 1.00 0.00 H new ATOM 0 HD11 ILE A 47 4.216 -8.698 -4.070 1.00 0.00 H new ATOM 0 HD12 ILE A 47 5.459 -7.565 -4.651 1.00 0.00 H new ATOM 0 HD13 ILE A 47 4.139 -6.981 -3.609 1.00 0.00 H new ATOM 667 N ALA A 48 4.735 -3.655 -8.133 1.00 0.00 N ATOM 668 CA ALA A 48 4.536 -2.368 -8.777 1.00 0.00 C ATOM 669 C ALA A 48 4.824 -2.501 -10.273 1.00 0.00 C ATOM 670 O ALA A 48 4.037 -2.048 -11.103 1.00 0.00 O ATOM 671 CB ALA A 48 5.422 -1.318 -8.103 1.00 0.00 C ATOM 0 H ALA A 48 5.547 -3.703 -7.518 1.00 0.00 H new ATOM 0 HA ALA A 48 3.502 -2.040 -8.669 1.00 0.00 H new ATOM 0 HB1 ALA A 48 5.273 -0.352 -8.586 1.00 0.00 H new ATOM 0 HB2 ALA A 48 5.157 -1.241 -7.048 1.00 0.00 H new ATOM 0 HB3 ALA A 48 6.468 -1.612 -8.194 1.00 0.00 H new ATOM 677 N VAL A 49 5.953 -3.125 -10.572 1.00 0.00 N ATOM 678 CA VAL A 49 6.355 -3.324 -11.955 1.00 0.00 C ATOM 679 C VAL A 49 5.173 -3.884 -12.749 1.00 0.00 C ATOM 680 O VAL A 49 5.105 -3.719 -13.966 1.00 0.00 O ATOM 681 CB VAL A 49 7.595 -4.218 -12.017 1.00 0.00 C ATOM 682 CG1 VAL A 49 7.214 -5.657 -12.373 1.00 0.00 C ATOM 683 CG2 VAL A 49 8.624 -3.662 -13.002 1.00 0.00 C ATOM 0 H VAL A 49 6.603 -3.500 -9.881 1.00 0.00 H new ATOM 0 HA VAL A 49 6.633 -2.375 -12.412 1.00 0.00 H new ATOM 0 HB VAL A 49 8.052 -4.227 -11.028 1.00 0.00 H new ATOM 0 HG11 VAL A 49 8.113 -6.273 -12.411 1.00 0.00 H new ATOM 0 HG12 VAL A 49 6.536 -6.052 -11.617 1.00 0.00 H new ATOM 0 HG13 VAL A 49 6.722 -5.673 -13.345 1.00 0.00 H new ATOM 0 HG21 VAL A 49 9.495 -4.317 -13.026 1.00 0.00 H new ATOM 0 HG22 VAL A 49 8.183 -3.608 -13.997 1.00 0.00 H new ATOM 0 HG23 VAL A 49 8.929 -2.664 -12.686 1.00 0.00 H new ATOM 693 N GLN A 50 4.272 -4.535 -12.028 1.00 0.00 N ATOM 694 CA GLN A 50 3.096 -5.120 -12.650 1.00 0.00 C ATOM 695 C GLN A 50 1.944 -4.115 -12.657 1.00 0.00 C ATOM 696 O GLN A 50 1.448 -3.740 -13.719 1.00 0.00 O ATOM 697 CB GLN A 50 2.691 -6.416 -11.945 1.00 0.00 C ATOM 698 CG GLN A 50 3.838 -7.427 -11.953 1.00 0.00 C ATOM 699 CD GLN A 50 3.356 -8.807 -11.498 1.00 0.00 C ATOM 700 OE1 GLN A 50 3.567 -9.054 -10.208 1.00 0.00 O flip ATOM 701 NE2 GLN A 50 2.828 -9.593 -12.266 1.00 0.00 N flip ATOM 0 H GLN A 50 4.333 -4.670 -11.019 1.00 0.00 H new ATOM 0 HA GLN A 50 3.340 -5.369 -13.683 1.00 0.00 H new ATOM 0 HB2 GLN A 50 2.400 -6.199 -10.917 1.00 0.00 H new ATOM 0 HB3 GLN A 50 1.820 -6.846 -12.439 1.00 0.00 H new ATOM 0 HG2 GLN A 50 4.259 -7.497 -12.956 1.00 0.00 H new ATOM 0 HG3 GLN A 50 4.636 -7.082 -11.296 1.00 0.00 H new ATOM 0 HE21 GLN A 50 2.696 -9.339 -13.245 1.00 0.00 H new ATOM 0 HE22 GLN A 50 2.518 -10.505 -11.929 1.00 0.00 H new ATOM 708 N THR A 51 1.549 -3.706 -11.460 1.00 0.00 N ATOM 709 CA THR A 51 0.464 -2.752 -11.315 1.00 0.00 C ATOM 710 C THR A 51 0.714 -1.522 -12.189 1.00 0.00 C ATOM 711 O THR A 51 -0.218 -0.962 -12.764 1.00 0.00 O ATOM 712 CB THR A 51 0.320 -2.422 -9.828 1.00 0.00 C ATOM 713 OG1 THR A 51 -0.520 -3.456 -9.323 1.00 0.00 O ATOM 714 CG2 THR A 51 -0.480 -1.141 -9.587 1.00 0.00 C ATOM 0 H THR A 51 1.962 -4.019 -10.581 1.00 0.00 H new ATOM 0 HA THR A 51 -0.480 -3.172 -11.663 1.00 0.00 H new ATOM 0 HB THR A 51 1.309 -2.321 -9.381 1.00 0.00 H new ATOM 0 HG1 THR A 51 -0.044 -3.953 -8.625 1.00 0.00 H new ATOM 0 HG21 THR A 51 -0.552 -0.953 -8.516 1.00 0.00 H new ATOM 0 HG22 THR A 51 0.022 -0.302 -10.069 1.00 0.00 H new ATOM 0 HG23 THR A 51 -1.481 -1.253 -10.004 1.00 0.00 H new ATOM 722 N GLU A 52 1.981 -1.135 -12.262 1.00 0.00 N ATOM 723 CA GLU A 52 2.366 0.018 -13.055 1.00 0.00 C ATOM 724 C GLU A 52 2.367 -0.338 -14.544 1.00 0.00 C ATOM 725 O GLU A 52 2.629 0.516 -15.389 1.00 0.00 O ATOM 726 CB GLU A 52 3.731 0.553 -12.619 1.00 0.00 C ATOM 727 CG GLU A 52 3.617 1.350 -11.318 1.00 0.00 C ATOM 728 CD GLU A 52 4.832 1.110 -10.419 1.00 0.00 C ATOM 729 OE1 GLU A 52 4.680 0.961 -9.198 1.00 0.00 O ATOM 730 OE2 GLU A 52 5.966 1.080 -11.032 1.00 0.00 O ATOM 0 H GLU A 52 2.752 -1.601 -11.784 1.00 0.00 H new ATOM 0 HA GLU A 52 1.633 0.808 -12.890 1.00 0.00 H new ATOM 0 HB2 GLU A 52 4.424 -0.277 -12.482 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.145 1.187 -13.403 1.00 0.00 H new ATOM 0 HG2 GLU A 52 3.532 2.413 -11.545 1.00 0.00 H new ATOM 0 HG3 GLU A 52 2.707 1.063 -10.790 1.00 0.00 H new ATOM 736 N ASP A 53 2.073 -1.600 -14.818 1.00 0.00 N ATOM 737 CA ASP A 53 2.037 -2.079 -16.189 1.00 0.00 C ATOM 738 C ASP A 53 0.615 -2.528 -16.531 1.00 0.00 C ATOM 739 O ASP A 53 -0.008 -1.987 -17.443 1.00 0.00 O ATOM 740 CB ASP A 53 2.969 -3.277 -16.378 1.00 0.00 C ATOM 741 CG ASP A 53 3.936 -3.165 -17.558 1.00 0.00 C ATOM 742 OD1 ASP A 53 5.151 -2.995 -17.375 1.00 0.00 O ATOM 743 OD2 ASP A 53 3.389 -3.260 -18.723 1.00 0.00 O ATOM 0 H ASP A 53 1.857 -2.306 -14.114 1.00 0.00 H new ATOM 0 HA ASP A 53 2.359 -1.265 -16.839 1.00 0.00 H new ATOM 0 HB2 ASP A 53 3.548 -3.415 -15.465 1.00 0.00 H new ATOM 0 HB3 ASP A 53 2.362 -4.173 -16.509 1.00 0.00 H new ATOM 748 N LYS A 54 0.143 -3.512 -15.780 1.00 0.00 N ATOM 749 CA LYS A 54 -1.195 -4.040 -15.992 1.00 0.00 C ATOM 750 C LYS A 54 -2.156 -2.883 -16.270 1.00 0.00 C ATOM 751 O LYS A 54 -3.018 -2.984 -17.142 1.00 0.00 O ATOM 752 CB LYS A 54 -1.617 -4.921 -14.814 1.00 0.00 C ATOM 753 CG LYS A 54 -1.277 -6.389 -15.079 1.00 0.00 C ATOM 754 CD LYS A 54 -1.790 -7.283 -13.947 1.00 0.00 C ATOM 755 CE LYS A 54 -3.226 -7.738 -14.216 1.00 0.00 C ATOM 756 NZ LYS A 54 -3.340 -9.206 -14.062 1.00 0.00 N ATOM 0 H LYS A 54 0.663 -3.958 -15.024 1.00 0.00 H new ATOM 0 HA LYS A 54 -1.214 -4.689 -16.868 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -1.115 -4.586 -13.906 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -2.688 -4.817 -14.643 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -1.719 -6.704 -16.024 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -0.198 -6.504 -15.178 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -1.142 -8.153 -13.844 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -1.747 -6.741 -13.003 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -3.907 -7.240 -13.526 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -3.524 -7.448 -15.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -4.320 -9.499 -14.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -2.704 -9.676 -14.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -3.076 -9.475 -13.093 1.00 0.00 H new ATOM 765 N TYR A 55 -1.977 -1.811 -15.512 1.00 0.00 N ATOM 766 CA TYR A 55 -2.819 -0.637 -15.665 1.00 0.00 C ATOM 767 C TYR A 55 -2.046 0.509 -16.323 1.00 0.00 C ATOM 768 O TYR A 55 -2.522 1.115 -17.282 1.00 0.00 O ATOM 769 CB TYR A 55 -3.222 -0.218 -14.250 1.00 0.00 C ATOM 770 CG TYR A 55 -4.227 0.934 -14.205 1.00 0.00 C ATOM 771 CD1 TYR A 55 -3.796 2.233 -14.383 1.00 0.00 C ATOM 772 CD2 TYR A 55 -5.565 0.675 -13.985 1.00 0.00 C ATOM 773 CE1 TYR A 55 -4.741 3.318 -14.340 1.00 0.00 C ATOM 774 CE2 TYR A 55 -6.510 1.759 -13.942 1.00 0.00 C ATOM 775 CZ TYR A 55 -6.053 3.028 -14.122 1.00 0.00 C ATOM 776 OH TYR A 55 -6.946 4.052 -14.081 1.00 0.00 O ATOM 0 H TYR A 55 -1.261 -1.731 -14.790 1.00 0.00 H new ATOM 0 HA TYR A 55 -3.680 -0.862 -16.295 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -3.648 -1.079 -13.735 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -2.327 0.072 -13.699 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -2.749 2.436 -14.555 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -5.902 -0.341 -13.845 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -4.416 4.339 -14.478 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -7.559 1.570 -13.771 1.00 0.00 H new ATOM 0 HH TYR A 55 -7.845 3.696 -13.919 1.00 0.00 H new ATOM 785 N GLY A 56 -0.866 0.771 -15.781 1.00 0.00 N ATOM 786 CA GLY A 56 -0.023 1.833 -16.303 1.00 0.00 C ATOM 787 C GLY A 56 0.052 3.006 -15.322 1.00 0.00 C ATOM 788 O GLY A 56 0.371 4.128 -15.714 1.00 0.00 O ATOM 0 H GLY A 56 -0.474 0.266 -14.986 1.00 0.00 H new ATOM 0 HA2 GLY A 56 0.979 1.447 -16.492 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -0.417 2.178 -17.259 1.00 0.00 H new ATOM 792 N VAL A 57 -0.249 2.707 -14.067 1.00 0.00 N ATOM 793 CA VAL A 57 -0.221 3.722 -13.028 1.00 0.00 C ATOM 794 C VAL A 57 1.171 4.355 -12.977 1.00 0.00 C ATOM 795 O VAL A 57 2.167 3.696 -13.274 1.00 0.00 O ATOM 796 CB VAL A 57 -0.652 3.116 -11.692 1.00 0.00 C ATOM 797 CG1 VAL A 57 -2.034 2.467 -11.805 1.00 0.00 C ATOM 798 CG2 VAL A 57 0.386 2.112 -11.185 1.00 0.00 C ATOM 0 H VAL A 57 -0.514 1.776 -13.746 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.932 4.517 -13.252 1.00 0.00 H new ATOM 0 HB VAL A 57 -0.720 3.924 -10.964 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.317 2.044 -10.841 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.766 3.219 -12.100 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -2.004 1.676 -12.554 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.055 1.696 -10.233 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.500 1.308 -11.912 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.343 2.616 -11.048 1.00 0.00 H new ATOM 808 N LYS A 58 1.197 5.623 -12.598 1.00 0.00 N ATOM 809 CA LYS A 58 2.450 6.352 -12.503 1.00 0.00 C ATOM 810 C LYS A 58 2.928 6.350 -11.050 1.00 0.00 C ATOM 811 O LYS A 58 2.403 7.090 -10.220 1.00 0.00 O ATOM 812 CB LYS A 58 2.302 7.753 -13.101 1.00 0.00 C ATOM 813 CG LYS A 58 1.133 8.502 -12.459 1.00 0.00 C ATOM 814 CD LYS A 58 -0.080 8.525 -13.391 1.00 0.00 C ATOM 815 CE LYS A 58 -1.098 9.574 -12.938 1.00 0.00 C ATOM 816 NZ LYS A 58 -1.286 10.602 -13.987 1.00 0.00 N ATOM 0 H LYS A 58 0.369 6.166 -12.353 1.00 0.00 H new ATOM 0 HA LYS A 58 3.223 5.859 -13.093 1.00 0.00 H new ATOM 0 HB2 LYS A 58 3.224 8.315 -12.953 1.00 0.00 H new ATOM 0 HB3 LYS A 58 2.144 7.678 -14.177 1.00 0.00 H new ATOM 0 HG2 LYS A 58 0.864 8.024 -11.517 1.00 0.00 H new ATOM 0 HG3 LYS A 58 1.435 9.523 -12.224 1.00 0.00 H new ATOM 0 HD2 LYS A 58 0.243 8.742 -14.409 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -0.549 7.541 -13.408 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -2.051 9.093 -12.717 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -0.758 10.045 -12.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -1.980 11.306 -13.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -0.379 11.073 -14.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -1.632 10.150 -14.858 1.00 0.00 H new ATOM 825 N ILE A 59 3.918 5.509 -10.787 1.00 0.00 N ATOM 826 CA ILE A 59 4.472 5.403 -9.448 1.00 0.00 C ATOM 827 C ILE A 59 5.959 5.058 -9.542 1.00 0.00 C ATOM 828 O ILE A 59 6.357 3.927 -9.267 1.00 0.00 O ATOM 829 CB ILE A 59 3.663 4.409 -8.612 1.00 0.00 C ATOM 830 CG1 ILE A 59 2.185 4.804 -8.567 1.00 0.00 C ATOM 831 CG2 ILE A 59 4.258 4.260 -7.210 1.00 0.00 C ATOM 832 CD1 ILE A 59 1.404 3.901 -7.613 1.00 0.00 C ATOM 0 H ILE A 59 4.350 4.895 -11.478 1.00 0.00 H new ATOM 0 HA ILE A 59 4.398 6.358 -8.928 1.00 0.00 H new ATOM 0 HB ILE A 59 3.721 3.433 -9.093 1.00 0.00 H new ATOM 0 HG12 ILE A 59 2.092 5.842 -8.248 1.00 0.00 H new ATOM 0 HG13 ILE A 59 1.757 4.738 -9.567 1.00 0.00 H new ATOM 0 HG21 ILE A 59 3.664 3.548 -6.637 1.00 0.00 H new ATOM 0 HG22 ILE A 59 5.284 3.899 -7.286 1.00 0.00 H new ATOM 0 HG23 ILE A 59 4.251 5.227 -6.707 1.00 0.00 H new ATOM 0 HD11 ILE A 59 0.357 4.204 -7.600 1.00 0.00 H new ATOM 0 HD12 ILE A 59 1.478 2.867 -7.948 1.00 0.00 H new ATOM 0 HD13 ILE A 59 1.819 3.988 -6.609 1.00 0.00 H new ATOM 843 N PRO A 60 6.762 6.081 -9.943 1.00 0.00 N ATOM 844 CA PRO A 60 8.197 5.897 -10.078 1.00 0.00 C ATOM 845 C PRO A 60 8.875 5.857 -8.706 1.00 0.00 C ATOM 846 O PRO A 60 8.252 6.166 -7.692 1.00 0.00 O ATOM 847 CB PRO A 60 8.664 7.061 -10.937 1.00 0.00 C ATOM 848 CG PRO A 60 7.558 8.102 -10.865 1.00 0.00 C ATOM 849 CD PRO A 60 6.325 7.433 -10.278 1.00 0.00 C ATOM 0 HA PRO A 60 8.458 4.946 -10.543 1.00 0.00 H new ATOM 0 HB2 PRO A 60 9.606 7.466 -10.567 1.00 0.00 H new ATOM 0 HB3 PRO A 60 8.835 6.743 -11.966 1.00 0.00 H new ATOM 0 HG2 PRO A 60 7.866 8.944 -10.246 1.00 0.00 H new ATOM 0 HG3 PRO A 60 7.341 8.498 -11.857 1.00 0.00 H new ATOM 0 HD2 PRO A 60 5.968 7.964 -9.395 1.00 0.00 H new ATOM 0 HD3 PRO A 60 5.504 7.418 -10.994 1.00 0.00 H new ATOM 854 N ASP A 61 10.144 5.473 -8.720 1.00 0.00 N ATOM 855 CA ASP A 61 10.914 5.389 -7.491 1.00 0.00 C ATOM 856 C ASP A 61 10.890 6.745 -6.784 1.00 0.00 C ATOM 857 O ASP A 61 10.766 6.812 -5.563 1.00 0.00 O ATOM 858 CB ASP A 61 12.373 5.030 -7.778 1.00 0.00 C ATOM 859 CG ASP A 61 12.761 3.588 -7.447 1.00 0.00 C ATOM 860 OD1 ASP A 61 13.282 3.300 -6.359 1.00 0.00 O ATOM 861 OD2 ASP A 61 12.505 2.727 -8.373 1.00 0.00 O ATOM 0 H ASP A 61 10.657 5.217 -9.563 1.00 0.00 H new ATOM 0 HA ASP A 61 10.468 4.614 -6.867 1.00 0.00 H new ATOM 0 HB2 ASP A 61 12.575 5.212 -8.834 1.00 0.00 H new ATOM 0 HB3 ASP A 61 13.016 5.703 -7.210 1.00 0.00 H new ATOM 866 N GLU A 62 11.011 7.794 -7.585 1.00 0.00 N ATOM 867 CA GLU A 62 11.006 9.146 -7.052 1.00 0.00 C ATOM 868 C GLU A 62 9.809 9.345 -6.119 1.00 0.00 C ATOM 869 O GLU A 62 9.821 10.235 -5.270 1.00 0.00 O ATOM 870 CB GLU A 62 10.998 10.181 -8.180 1.00 0.00 C ATOM 871 CG GLU A 62 12.363 10.250 -8.869 1.00 0.00 C ATOM 872 CD GLU A 62 12.734 11.697 -9.205 1.00 0.00 C ATOM 873 OE1 GLU A 62 11.843 12.545 -9.357 1.00 0.00 O ATOM 874 OE2 GLU A 62 14.000 11.925 -9.306 1.00 0.00 O ATOM 0 H GLU A 62 11.113 7.735 -8.598 1.00 0.00 H new ATOM 0 HA GLU A 62 11.920 9.291 -6.476 1.00 0.00 H new ATOM 0 HB2 GLU A 62 10.231 9.923 -8.910 1.00 0.00 H new ATOM 0 HB3 GLU A 62 10.739 11.161 -7.778 1.00 0.00 H new ATOM 0 HG2 GLU A 62 13.124 9.817 -8.220 1.00 0.00 H new ATOM 0 HG3 GLU A 62 12.345 9.654 -9.781 1.00 0.00 H new ATOM 880 N ASP A 63 8.806 8.501 -6.308 1.00 0.00 N ATOM 881 CA ASP A 63 7.605 8.571 -5.493 1.00 0.00 C ATOM 882 C ASP A 63 7.501 7.309 -4.635 1.00 0.00 C ATOM 883 O ASP A 63 7.032 7.364 -3.500 1.00 0.00 O ATOM 884 CB ASP A 63 6.351 8.654 -6.367 1.00 0.00 C ATOM 885 CG ASP A 63 5.582 9.973 -6.273 1.00 0.00 C ATOM 886 OD1 ASP A 63 4.353 10.007 -6.422 1.00 0.00 O ATOM 887 OD2 ASP A 63 6.309 11.011 -6.029 1.00 0.00 O ATOM 0 H ASP A 63 8.800 7.765 -7.014 1.00 0.00 H new ATOM 0 HA ASP A 63 7.671 9.464 -4.871 1.00 0.00 H new ATOM 0 HB2 ASP A 63 6.639 8.492 -7.406 1.00 0.00 H new ATOM 0 HB3 ASP A 63 5.681 7.840 -6.092 1.00 0.00 H new ATOM 892 N LEU A 64 7.946 6.202 -5.210 1.00 0.00 N ATOM 893 CA LEU A 64 7.908 4.929 -4.512 1.00 0.00 C ATOM 894 C LEU A 64 8.660 5.057 -3.185 1.00 0.00 C ATOM 895 O LEU A 64 8.474 4.243 -2.282 1.00 0.00 O ATOM 896 CB LEU A 64 8.436 3.809 -5.412 1.00 0.00 C ATOM 897 CG LEU A 64 7.902 2.405 -5.118 1.00 0.00 C ATOM 898 CD1 LEU A 64 8.464 1.869 -3.800 1.00 0.00 C ATOM 899 CD2 LEU A 64 6.373 2.385 -5.140 1.00 0.00 C ATOM 0 H LEU A 64 8.335 6.160 -6.152 1.00 0.00 H new ATOM 0 HA LEU A 64 6.880 4.657 -4.272 1.00 0.00 H new ATOM 0 HB2 LEU A 64 8.198 4.058 -6.446 1.00 0.00 H new ATOM 0 HB3 LEU A 64 9.523 3.787 -5.332 1.00 0.00 H new ATOM 0 HG LEU A 64 8.244 1.737 -5.908 1.00 0.00 H new ATOM 0 HD11 LEU A 64 8.069 0.870 -3.615 1.00 0.00 H new ATOM 0 HD12 LEU A 64 9.551 1.823 -3.860 1.00 0.00 H new ATOM 0 HD13 LEU A 64 8.173 2.531 -2.984 1.00 0.00 H new ATOM 0 HD21 LEU A 64 6.019 1.376 -4.928 1.00 0.00 H new ATOM 0 HD22 LEU A 64 5.989 3.070 -4.384 1.00 0.00 H new ATOM 0 HD23 LEU A 64 6.019 2.695 -6.123 1.00 0.00 H new ATOM 910 N ALA A 65 9.491 6.085 -3.110 1.00 0.00 N ATOM 911 CA ALA A 65 10.270 6.332 -1.909 1.00 0.00 C ATOM 912 C ALA A 65 9.347 6.849 -0.804 1.00 0.00 C ATOM 913 O ALA A 65 9.507 6.489 0.362 1.00 0.00 O ATOM 914 CB ALA A 65 11.404 7.309 -2.226 1.00 0.00 C ATOM 0 H ALA A 65 9.642 6.757 -3.862 1.00 0.00 H new ATOM 0 HA ALA A 65 10.726 5.409 -1.552 1.00 0.00 H new ATOM 0 HB1 ALA A 65 11.988 7.494 -1.324 1.00 0.00 H new ATOM 0 HB2 ALA A 65 12.048 6.882 -2.994 1.00 0.00 H new ATOM 0 HB3 ALA A 65 10.985 8.249 -2.586 1.00 0.00 H new ATOM 920 N GLY A 66 8.402 7.684 -1.209 1.00 0.00 N ATOM 921 CA GLY A 66 7.453 8.254 -0.267 1.00 0.00 C ATOM 922 C GLY A 66 6.406 7.219 0.150 1.00 0.00 C ATOM 923 O GLY A 66 6.165 7.020 1.340 1.00 0.00 O ATOM 0 H GLY A 66 8.273 7.980 -2.177 1.00 0.00 H new ATOM 0 HA2 GLY A 66 7.983 8.616 0.614 1.00 0.00 H new ATOM 0 HA3 GLY A 66 6.959 9.115 -0.718 1.00 0.00 H new ATOM 927 N LEU A 67 5.812 6.588 -0.852 1.00 0.00 N ATOM 928 CA LEU A 67 4.797 5.579 -0.604 1.00 0.00 C ATOM 929 C LEU A 67 5.207 4.734 0.603 1.00 0.00 C ATOM 930 O LEU A 67 6.257 4.092 0.588 1.00 0.00 O ATOM 931 CB LEU A 67 4.536 4.758 -1.869 1.00 0.00 C ATOM 932 CG LEU A 67 3.998 5.535 -3.072 1.00 0.00 C ATOM 933 CD1 LEU A 67 3.575 4.583 -4.194 1.00 0.00 C ATOM 934 CD2 LEU A 67 2.863 6.473 -2.658 1.00 0.00 C ATOM 0 H LEU A 67 6.014 6.756 -1.837 1.00 0.00 H new ATOM 0 HA LEU A 67 3.846 6.050 -0.356 1.00 0.00 H new ATOM 0 HB2 LEU A 67 5.467 4.272 -2.162 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.827 3.967 -1.625 1.00 0.00 H new ATOM 0 HG LEU A 67 4.802 6.158 -3.463 1.00 0.00 H new ATOM 0 HD11 LEU A 67 3.196 5.160 -5.037 1.00 0.00 H new ATOM 0 HD12 LEU A 67 4.434 3.994 -4.514 1.00 0.00 H new ATOM 0 HD13 LEU A 67 2.793 3.916 -3.830 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.500 7.013 -3.533 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.049 5.891 -2.227 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.231 7.185 -1.919 1.00 0.00 H new ATOM 945 N ARG A 68 4.359 4.761 1.621 1.00 0.00 N ATOM 946 CA ARG A 68 4.620 4.005 2.833 1.00 0.00 C ATOM 947 C ARG A 68 3.596 2.880 2.990 1.00 0.00 C ATOM 948 O ARG A 68 3.939 1.777 3.414 1.00 0.00 O ATOM 949 CB ARG A 68 4.569 4.908 4.067 1.00 0.00 C ATOM 950 CG ARG A 68 5.955 5.057 4.697 1.00 0.00 C ATOM 951 CD ARG A 68 5.923 4.697 6.184 1.00 0.00 C ATOM 952 NE ARG A 68 7.255 4.217 6.617 1.00 0.00 N ATOM 953 CZ ARG A 68 7.510 3.682 7.830 1.00 0.00 C ATOM 954 NH1 ARG A 68 6.523 3.556 8.743 1.00 0.00 N ATOM 955 NH2 ARG A 68 8.737 3.287 8.110 1.00 0.00 N ATOM 0 H ARG A 68 3.490 5.295 1.631 1.00 0.00 H new ATOM 0 HA ARG A 68 5.620 3.580 2.749 1.00 0.00 H new ATOM 0 HB2 ARG A 68 4.185 5.889 3.788 1.00 0.00 H new ATOM 0 HB3 ARG A 68 3.876 4.491 4.798 1.00 0.00 H new ATOM 0 HG2 ARG A 68 6.665 4.413 4.178 1.00 0.00 H new ATOM 0 HG3 ARG A 68 6.306 6.082 4.575 1.00 0.00 H new ATOM 0 HD2 ARG A 68 5.632 5.568 6.771 1.00 0.00 H new ATOM 0 HD3 ARG A 68 5.173 3.927 6.364 1.00 0.00 H new ATOM 0 HE ARG A 68 8.029 4.295 5.957 1.00 0.00 H new ATOM 0 HH11 ARG A 68 5.578 3.866 8.518 1.00 0.00 H new ATOM 0 HH12 ARG A 68 6.723 3.151 9.657 1.00 0.00 H new ATOM 0 HH21 ARG A 68 9.476 3.388 7.415 1.00 0.00 H new ATOM 0 HH22 ARG A 68 8.946 2.881 9.022 1.00 0.00 H new ATOM 964 N THR A 69 2.357 3.198 2.639 1.00 0.00 N ATOM 965 CA THR A 69 1.281 2.228 2.736 1.00 0.00 C ATOM 966 C THR A 69 0.446 2.230 1.454 1.00 0.00 C ATOM 967 O THR A 69 0.483 3.189 0.686 1.00 0.00 O ATOM 968 CB THR A 69 0.467 2.547 3.992 1.00 0.00 C ATOM 969 OG1 THR A 69 0.011 3.881 3.780 1.00 0.00 O ATOM 970 CG2 THR A 69 1.339 2.647 5.245 1.00 0.00 C ATOM 0 H THR A 69 2.076 4.113 2.288 1.00 0.00 H new ATOM 0 HA THR A 69 1.670 1.214 2.833 1.00 0.00 H new ATOM 0 HB THR A 69 -0.292 1.778 4.138 1.00 0.00 H new ATOM 0 HG1 THR A 69 -0.528 4.168 4.547 1.00 0.00 H new ATOM 0 HG21 THR A 69 0.712 2.875 6.107 1.00 0.00 H new ATOM 0 HG22 THR A 69 1.851 1.699 5.409 1.00 0.00 H new ATOM 0 HG23 THR A 69 2.076 3.439 5.113 1.00 0.00 H new ATOM 978 N VAL A 70 -0.290 1.144 1.263 1.00 0.00 N ATOM 979 CA VAL A 70 -1.133 1.008 0.088 1.00 0.00 C ATOM 980 C VAL A 70 -1.908 2.308 -0.130 1.00 0.00 C ATOM 981 O VAL A 70 -1.879 2.877 -1.221 1.00 0.00 O ATOM 982 CB VAL A 70 -2.043 -0.213 0.235 1.00 0.00 C ATOM 983 CG1 VAL A 70 -2.801 -0.492 -1.065 1.00 0.00 C ATOM 984 CG2 VAL A 70 -1.246 -1.441 0.679 1.00 0.00 C ATOM 0 H VAL A 70 -0.319 0.350 1.903 1.00 0.00 H new ATOM 0 HA VAL A 70 -0.525 0.838 -0.801 1.00 0.00 H new ATOM 0 HB VAL A 70 -2.777 0.008 1.010 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -3.440 -1.365 -0.933 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.414 0.372 -1.321 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -2.089 -0.682 -1.868 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -1.917 -2.295 0.776 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -0.479 -1.665 -0.062 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.774 -1.240 1.640 1.00 0.00 H new ATOM 994 N GLY A 71 -2.585 2.742 0.924 1.00 0.00 N ATOM 995 CA GLY A 71 -3.366 3.965 0.860 1.00 0.00 C ATOM 996 C GLY A 71 -2.568 5.093 0.204 1.00 0.00 C ATOM 997 O GLY A 71 -3.133 5.936 -0.491 1.00 0.00 O ATOM 0 H GLY A 71 -2.608 2.268 1.827 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -4.281 3.787 0.296 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -3.664 4.263 1.865 1.00 0.00 H new ATOM 1001 N ASP A 72 -1.265 5.072 0.448 1.00 0.00 N ATOM 1002 CA ASP A 72 -0.383 6.082 -0.111 1.00 0.00 C ATOM 1003 C ASP A 72 0.011 5.680 -1.533 1.00 0.00 C ATOM 1004 O ASP A 72 0.169 6.536 -2.403 1.00 0.00 O ATOM 1005 CB ASP A 72 0.897 6.213 0.715 1.00 0.00 C ATOM 1006 CG ASP A 72 1.481 7.626 0.784 1.00 0.00 C ATOM 1007 OD1 ASP A 72 0.911 8.581 0.237 1.00 0.00 O ATOM 1008 OD2 ASP A 72 2.587 7.727 1.444 1.00 0.00 O ATOM 0 H ASP A 72 -0.800 4.371 1.025 1.00 0.00 H new ATOM 0 HA ASP A 72 -0.915 7.033 -0.106 1.00 0.00 H new ATOM 0 HB2 ASP A 72 0.693 5.870 1.730 1.00 0.00 H new ATOM 0 HB3 ASP A 72 1.650 5.545 0.298 1.00 0.00 H new ATOM 1013 N VAL A 73 0.157 4.378 -1.726 1.00 0.00 N ATOM 1014 CA VAL A 73 0.529 3.851 -3.029 1.00 0.00 C ATOM 1015 C VAL A 73 -0.663 3.967 -3.980 1.00 0.00 C ATOM 1016 O VAL A 73 -0.504 3.863 -5.195 1.00 0.00 O ATOM 1017 CB VAL A 73 1.044 2.417 -2.886 1.00 0.00 C ATOM 1018 CG1 VAL A 73 1.604 1.901 -4.213 1.00 0.00 C ATOM 1019 CG2 VAL A 73 2.089 2.318 -1.773 1.00 0.00 C ATOM 0 H VAL A 73 0.025 3.672 -1.002 1.00 0.00 H new ATOM 0 HA VAL A 73 1.345 4.433 -3.458 1.00 0.00 H new ATOM 0 HB VAL A 73 0.201 1.784 -2.610 1.00 0.00 H new ATOM 0 HG11 VAL A 73 1.963 0.880 -4.084 1.00 0.00 H new ATOM 0 HG12 VAL A 73 0.820 1.917 -4.970 1.00 0.00 H new ATOM 0 HG13 VAL A 73 2.429 2.538 -4.532 1.00 0.00 H new ATOM 0 HG21 VAL A 73 2.438 1.289 -1.692 1.00 0.00 H new ATOM 0 HG22 VAL A 73 2.931 2.970 -2.005 1.00 0.00 H new ATOM 0 HG23 VAL A 73 1.643 2.625 -0.827 1.00 0.00 H new ATOM 1029 N VAL A 74 -1.831 4.181 -3.391 1.00 0.00 N ATOM 1030 CA VAL A 74 -3.049 4.313 -4.172 1.00 0.00 C ATOM 1031 C VAL A 74 -3.318 5.793 -4.446 1.00 0.00 C ATOM 1032 O VAL A 74 -3.415 6.207 -5.600 1.00 0.00 O ATOM 1033 CB VAL A 74 -4.208 3.617 -3.455 1.00 0.00 C ATOM 1034 CG1 VAL A 74 -5.533 3.875 -4.175 1.00 0.00 C ATOM 1035 CG2 VAL A 74 -3.944 2.116 -3.312 1.00 0.00 C ATOM 0 H VAL A 74 -1.959 4.266 -2.383 1.00 0.00 H new ATOM 0 HA VAL A 74 -2.938 3.820 -5.138 1.00 0.00 H new ATOM 0 HB VAL A 74 -4.284 4.040 -2.453 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -6.340 3.369 -3.645 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -5.731 4.947 -4.200 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -5.474 3.493 -5.194 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -4.783 1.646 -2.799 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -3.828 1.671 -4.300 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -3.033 1.960 -2.735 1.00 0.00 H new ATOM 1045 N ALA A 75 -3.429 6.551 -3.365 1.00 0.00 N ATOM 1046 CA ALA A 75 -3.685 7.977 -3.474 1.00 0.00 C ATOM 1047 C ALA A 75 -2.759 8.577 -4.535 1.00 0.00 C ATOM 1048 O ALA A 75 -3.224 9.212 -5.481 1.00 0.00 O ATOM 1049 CB ALA A 75 -3.504 8.635 -2.104 1.00 0.00 C ATOM 0 H ALA A 75 -3.346 6.204 -2.409 1.00 0.00 H new ATOM 0 HA ALA A 75 -4.712 8.159 -3.790 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -3.696 9.705 -2.186 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -4.203 8.194 -1.393 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -2.484 8.475 -1.756 1.00 0.00 H new ATOM 1055 N TYR A 76 -1.468 8.355 -4.341 1.00 0.00 N ATOM 1056 CA TYR A 76 -0.474 8.865 -5.270 1.00 0.00 C ATOM 1057 C TYR A 76 -0.911 8.641 -6.719 1.00 0.00 C ATOM 1058 O TYR A 76 -0.464 9.347 -7.622 1.00 0.00 O ATOM 1059 CB TYR A 76 0.802 8.064 -5.005 1.00 0.00 C ATOM 1060 CG TYR A 76 1.832 8.800 -4.146 1.00 0.00 C ATOM 1061 CD1 TYR A 76 1.426 9.498 -3.028 1.00 0.00 C ATOM 1062 CD2 TYR A 76 3.168 8.765 -4.491 1.00 0.00 C ATOM 1063 CE1 TYR A 76 2.396 10.191 -2.219 1.00 0.00 C ATOM 1064 CE2 TYR A 76 4.139 9.458 -3.682 1.00 0.00 C ATOM 1065 CZ TYR A 76 3.704 10.136 -2.587 1.00 0.00 C ATOM 1066 OH TYR A 76 4.621 10.791 -1.824 1.00 0.00 O ATOM 0 H TYR A 76 -1.087 7.829 -3.555 1.00 0.00 H new ATOM 0 HA TYR A 76 -0.332 9.936 -5.129 1.00 0.00 H new ATOM 0 HB2 TYR A 76 0.536 7.129 -4.513 1.00 0.00 H new ATOM 0 HB3 TYR A 76 1.260 7.803 -5.959 1.00 0.00 H new ATOM 0 HD1 TYR A 76 0.380 9.525 -2.759 1.00 0.00 H new ATOM 0 HD2 TYR A 76 3.486 8.219 -5.367 1.00 0.00 H new ATOM 0 HE1 TYR A 76 2.092 10.741 -1.341 1.00 0.00 H new ATOM 0 HE2 TYR A 76 5.188 9.439 -3.940 1.00 0.00 H new ATOM 0 HH TYR A 76 5.515 10.664 -2.205 1.00 0.00 H new ATOM 1075 N ILE A 77 -1.778 7.656 -6.896 1.00 0.00 N ATOM 1076 CA ILE A 77 -2.281 7.331 -8.220 1.00 0.00 C ATOM 1077 C ILE A 77 -3.451 8.256 -8.559 1.00 0.00 C ATOM 1078 O ILE A 77 -3.326 9.133 -9.412 1.00 0.00 O ATOM 1079 CB ILE A 77 -2.628 5.843 -8.311 1.00 0.00 C ATOM 1080 CG1 ILE A 77 -1.569 4.989 -7.609 1.00 0.00 C ATOM 1081 CG2 ILE A 77 -2.836 5.416 -9.765 1.00 0.00 C ATOM 1082 CD1 ILE A 77 -1.946 3.507 -7.648 1.00 0.00 C ATOM 0 H ILE A 77 -2.145 7.072 -6.145 1.00 0.00 H new ATOM 0 HA ILE A 77 -1.511 7.503 -8.972 1.00 0.00 H new ATOM 0 HB ILE A 77 -3.571 5.680 -7.790 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -0.602 5.135 -8.090 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -1.462 5.314 -6.574 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -3.081 4.355 -9.801 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -3.653 5.992 -10.200 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -1.922 5.597 -10.331 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -1.177 2.923 -7.143 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -2.902 3.361 -7.145 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -2.028 3.180 -8.684 1.00 0.00 H new ATOM 1093 N GLN A 78 -4.562 8.029 -7.873 1.00 0.00 N ATOM 1094 CA GLN A 78 -5.753 8.832 -8.091 1.00 0.00 C ATOM 1095 C GLN A 78 -5.460 10.306 -7.801 1.00 0.00 C ATOM 1096 O GLN A 78 -5.722 11.169 -8.637 1.00 0.00 O ATOM 1097 CB GLN A 78 -6.919 8.326 -7.237 1.00 0.00 C ATOM 1098 CG GLN A 78 -7.305 6.899 -7.628 1.00 0.00 C ATOM 1099 CD GLN A 78 -8.202 6.263 -6.564 1.00 0.00 C ATOM 1100 OE1 GLN A 78 -8.109 4.938 -6.499 1.00 0.00 O flip ATOM 1101 NE2 GLN A 78 -8.931 6.931 -5.850 1.00 0.00 N flip ATOM 0 H GLN A 78 -4.662 7.301 -7.166 1.00 0.00 H new ATOM 0 HA GLN A 78 -6.044 8.739 -9.137 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -6.643 8.356 -6.183 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -7.778 8.986 -7.360 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -7.823 6.908 -8.587 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -6.405 6.297 -7.757 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -8.954 7.946 -5.952 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -9.517 6.475 -5.151 1.00 0.00 H new ATOM 1108 N LYS A 79 -4.922 10.547 -6.615 1.00 0.00 N ATOM 1109 CA LYS A 79 -4.592 11.901 -6.205 1.00 0.00 C ATOM 1110 C LYS A 79 -3.962 12.646 -7.383 1.00 0.00 C ATOM 1111 O LYS A 79 -4.350 13.773 -7.689 1.00 0.00 O ATOM 1112 CB LYS A 79 -3.716 11.882 -4.950 1.00 0.00 C ATOM 1113 CG LYS A 79 -4.416 11.147 -3.805 1.00 0.00 C ATOM 1114 CD LYS A 79 -5.734 11.832 -3.437 1.00 0.00 C ATOM 1115 CE LYS A 79 -6.913 10.870 -3.591 1.00 0.00 C ATOM 1116 NZ LYS A 79 -6.898 10.242 -4.931 1.00 0.00 N ATOM 0 H LYS A 79 -4.706 9.828 -5.925 1.00 0.00 H new ATOM 0 HA LYS A 79 -5.494 12.446 -5.928 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -2.766 11.396 -5.172 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -3.488 12.903 -4.646 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -4.608 10.114 -4.095 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -3.762 11.117 -2.934 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -5.686 12.193 -2.410 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -5.885 12.703 -4.074 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -6.864 10.100 -2.821 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -7.850 11.408 -3.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -7.808 9.769 -5.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -6.745 10.973 -5.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -6.130 9.542 -4.978 1.00 0.00 H new ATOM 1125 N LEU A 80 -2.998 11.988 -8.012 1.00 0.00 N ATOM 1126 CA LEU A 80 -2.310 12.574 -9.149 1.00 0.00 C ATOM 1127 C LEU A 80 -3.337 12.959 -10.217 1.00 0.00 C ATOM 1128 O LEU A 80 -3.258 14.040 -10.799 1.00 0.00 O ATOM 1129 CB LEU A 80 -1.218 11.632 -9.658 1.00 0.00 C ATOM 1130 CG LEU A 80 0.210 12.180 -9.622 1.00 0.00 C ATOM 1131 CD1 LEU A 80 1.171 11.166 -8.996 1.00 0.00 C ATOM 1132 CD2 LEU A 80 0.666 12.617 -11.015 1.00 0.00 C ATOM 0 H LEU A 80 -2.678 11.054 -7.755 1.00 0.00 H new ATOM 0 HA LEU A 80 -1.797 13.489 -8.854 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -1.250 10.717 -9.066 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -1.454 11.355 -10.686 1.00 0.00 H new ATOM 0 HG LEU A 80 0.219 13.067 -8.988 1.00 0.00 H new ATOM 0 HD11 LEU A 80 2.179 11.580 -8.983 1.00 0.00 H new ATOM 0 HD12 LEU A 80 0.855 10.947 -7.976 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.164 10.248 -9.583 1.00 0.00 H new ATOM 0 HD21 LEU A 80 1.684 13.002 -10.960 1.00 0.00 H new ATOM 0 HD22 LEU A 80 0.637 11.763 -11.692 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.002 13.397 -11.387 1.00 0.00 H new ATOM 1143 N GLU A 81 -4.276 12.053 -10.444 1.00 0.00 N ATOM 1144 CA GLU A 81 -5.316 12.283 -11.432 1.00 0.00 C ATOM 1145 C GLU A 81 -6.153 13.504 -11.045 1.00 0.00 C ATOM 1146 O GLU A 81 -5.983 14.583 -11.613 1.00 0.00 O ATOM 1147 CB GLU A 81 -6.198 11.044 -11.599 1.00 0.00 C ATOM 1148 CG GLU A 81 -5.374 9.843 -12.065 1.00 0.00 C ATOM 1149 CD GLU A 81 -5.579 9.584 -13.559 1.00 0.00 C ATOM 1150 OE1 GLU A 81 -6.515 8.866 -13.941 1.00 0.00 O ATOM 1151 OE2 GLU A 81 -4.724 10.159 -14.335 1.00 0.00 O ATOM 0 H GLU A 81 -4.338 11.157 -9.960 1.00 0.00 H new ATOM 0 HA GLU A 81 -4.841 12.481 -12.393 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -6.685 10.810 -10.652 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -6.988 11.250 -12.322 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -4.318 10.023 -11.865 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -5.660 8.958 -11.496 1.00 0.00 H new ATOM 1157 N GLU A 82 -7.039 13.294 -10.084 1.00 0.00 N ATOM 1158 CA GLU A 82 -7.904 14.364 -9.615 1.00 0.00 C ATOM 1159 C GLU A 82 -9.044 13.794 -8.770 1.00 0.00 C ATOM 1160 O GLU A 82 -10.101 13.450 -9.298 1.00 0.00 O ATOM 1161 CB GLU A 82 -8.447 15.183 -10.788 1.00 0.00 C ATOM 1162 CG GLU A 82 -8.792 14.281 -11.973 1.00 0.00 C ATOM 1163 CD GLU A 82 -9.886 14.909 -12.840 1.00 0.00 C ATOM 1164 OE1 GLU A 82 -11.076 14.628 -12.636 1.00 0.00 O ATOM 1165 OE2 GLU A 82 -9.462 15.717 -13.752 1.00 0.00 O ATOM 0 H GLU A 82 -7.177 12.398 -9.616 1.00 0.00 H new ATOM 0 HA GLU A 82 -7.314 15.033 -8.989 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -9.335 15.731 -10.473 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -7.707 15.923 -11.093 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -7.900 14.109 -12.575 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -9.124 13.309 -11.610 1.00 0.00 H new ATOM 1171 N GLU A 83 -8.792 13.711 -7.472 1.00 0.00 N ATOM 1172 CA GLU A 83 -9.785 13.187 -6.548 1.00 0.00 C ATOM 1173 C GLU A 83 -9.764 13.982 -5.241 1.00 0.00 C ATOM 1174 O GLU A 83 -10.615 14.842 -5.020 1.00 0.00 O ATOM 1175 CB GLU A 83 -9.559 11.697 -6.287 1.00 0.00 C ATOM 1176 CG GLU A 83 -9.689 10.887 -7.580 1.00 0.00 C ATOM 1177 CD GLU A 83 -10.130 9.452 -7.286 1.00 0.00 C ATOM 1178 OE1 GLU A 83 -10.087 9.016 -6.127 1.00 0.00 O ATOM 1179 OE2 GLU A 83 -10.529 8.784 -8.314 1.00 0.00 O ATOM 0 H GLU A 83 -7.915 13.998 -7.038 1.00 0.00 H new ATOM 0 HA GLU A 83 -10.770 13.297 -7.002 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -8.569 11.546 -5.857 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -10.283 11.339 -5.555 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -10.411 11.365 -8.242 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -8.734 10.877 -8.105 1.00 0.00 H new ATOM 1185 N ASN A 84 -8.783 13.666 -4.409 1.00 0.00 N ATOM 1186 CA ASN A 84 -8.640 14.339 -3.129 1.00 0.00 C ATOM 1187 C ASN A 84 -7.236 14.938 -3.027 1.00 0.00 C ATOM 1188 O ASN A 84 -6.316 14.290 -2.530 1.00 0.00 O ATOM 1189 CB ASN A 84 -8.823 13.361 -1.968 1.00 0.00 C ATOM 1190 CG ASN A 84 -9.797 13.919 -0.928 1.00 0.00 C ATOM 1191 OD1 ASN A 84 -10.800 14.535 -1.248 1.00 0.00 O ATOM 1192 ND2 ASN A 84 -9.447 13.669 0.330 1.00 0.00 N ATOM 0 H ASN A 84 -8.079 12.952 -4.596 1.00 0.00 H new ATOM 0 HA ASN A 84 -9.403 15.115 -3.069 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -9.195 12.409 -2.346 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -7.859 13.163 -1.499 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -10.032 13.999 1.097 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -8.593 13.147 0.528 1.00 0.00 H new ATOM 1198 N PRO A 85 -7.112 16.200 -3.517 1.00 0.00 N ATOM 1199 CA PRO A 85 -5.835 16.894 -3.485 1.00 0.00 C ATOM 1200 C PRO A 85 -5.507 17.374 -2.070 1.00 0.00 C ATOM 1201 O PRO A 85 -5.225 18.552 -1.860 1.00 0.00 O ATOM 1202 CB PRO A 85 -5.981 18.033 -4.479 1.00 0.00 C ATOM 1203 CG PRO A 85 -7.476 18.218 -4.685 1.00 0.00 C ATOM 1204 CD PRO A 85 -8.180 16.999 -4.112 1.00 0.00 C ATOM 0 HA PRO A 85 -4.999 16.250 -3.758 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -5.524 18.946 -4.097 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -5.483 17.797 -5.420 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -7.820 19.126 -4.189 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -7.705 18.328 -5.745 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -8.923 17.284 -3.367 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -8.705 16.443 -4.889 1.00 0.00 H new ATOM 1209 N GLU A 86 -5.554 16.436 -1.135 1.00 0.00 N ATOM 1210 CA GLU A 86 -5.266 16.748 0.254 1.00 0.00 C ATOM 1211 C GLU A 86 -4.310 15.709 0.844 1.00 0.00 C ATOM 1212 O GLU A 86 -3.137 16.000 1.075 1.00 0.00 O ATOM 1213 CB GLU A 86 -6.554 16.837 1.075 1.00 0.00 C ATOM 1214 CG GLU A 86 -6.313 17.567 2.398 1.00 0.00 C ATOM 1215 CD GLU A 86 -6.341 19.084 2.199 1.00 0.00 C ATOM 1216 OE1 GLU A 86 -6.079 19.569 1.089 1.00 0.00 O ATOM 1217 OE2 GLU A 86 -6.653 19.765 3.250 1.00 0.00 O ATOM 0 H GLU A 86 -5.787 15.459 -1.313 1.00 0.00 H new ATOM 0 HA GLU A 86 -4.781 17.723 0.294 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -7.319 17.360 0.501 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -6.933 15.834 1.273 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -7.075 17.277 3.122 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -5.350 17.268 2.812 1.00 0.00 H new ATOM 1223 N ALA A 87 -4.846 14.520 1.072 1.00 0.00 N ATOM 1224 CA ALA A 87 -4.056 13.436 1.630 1.00 0.00 C ATOM 1225 C ALA A 87 -4.203 12.196 0.748 1.00 0.00 C ATOM 1226 O ALA A 87 -3.471 12.034 -0.228 1.00 0.00 O ATOM 1227 CB ALA A 87 -4.491 13.178 3.075 1.00 0.00 C ATOM 0 H ALA A 87 -5.819 14.283 0.880 1.00 0.00 H new ATOM 0 HA ALA A 87 -2.999 13.703 1.650 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -3.898 12.365 3.494 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -4.339 14.080 3.667 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -5.546 12.905 3.094 1.00 0.00 H new ATOM 1233 N ALA A 88 -5.152 11.351 1.121 1.00 0.00 N ATOM 1234 CA ALA A 88 -5.404 10.130 0.375 1.00 0.00 C ATOM 1235 C ALA A 88 -6.806 9.614 0.707 1.00 0.00 C ATOM 1236 O ALA A 88 -7.516 10.212 1.514 1.00 0.00 O ATOM 1237 CB ALA A 88 -4.315 9.103 0.694 1.00 0.00 C ATOM 0 H ALA A 88 -5.757 11.488 1.931 1.00 0.00 H new ATOM 0 HA ALA A 88 -5.368 10.322 -0.697 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -4.504 8.187 0.134 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -3.342 9.506 0.413 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -4.323 8.884 1.762 1.00 0.00 H new ATOM 1243 N GLN A 89 -7.162 8.510 0.067 1.00 0.00 N ATOM 1244 CA GLN A 89 -8.466 7.907 0.284 1.00 0.00 C ATOM 1245 C GLN A 89 -8.404 6.910 1.442 1.00 0.00 C ATOM 1246 O GLN A 89 -8.823 5.762 1.301 1.00 0.00 O ATOM 1247 CB GLN A 89 -8.979 7.236 -0.991 1.00 0.00 C ATOM 1248 CG GLN A 89 -8.143 6.000 -1.334 1.00 0.00 C ATOM 1249 CD GLN A 89 -9.039 4.834 -1.756 1.00 0.00 C ATOM 1250 OE1 GLN A 89 -8.380 3.819 -2.309 1.00 0.00 O flip ATOM 1251 NE2 GLN A 89 -10.248 4.853 -1.591 1.00 0.00 N flip ATOM 0 H GLN A 89 -6.570 8.017 -0.602 1.00 0.00 H new ATOM 0 HA GLN A 89 -9.170 8.696 0.548 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -10.022 6.949 -0.861 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -8.944 7.944 -1.819 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -7.447 6.239 -2.138 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -7.545 5.710 -0.470 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -10.691 5.664 -1.160 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -10.815 4.058 -1.884 1.00 0.00 H new ATOM 1258 N ALA A 90 -7.878 7.384 2.562 1.00 0.00 N ATOM 1259 CA ALA A 90 -7.755 6.548 3.745 1.00 0.00 C ATOM 1260 C ALA A 90 -7.437 7.428 4.955 1.00 0.00 C ATOM 1261 O ALA A 90 -7.991 7.229 6.035 1.00 0.00 O ATOM 1262 CB ALA A 90 -6.690 5.478 3.504 1.00 0.00 C ATOM 0 H ALA A 90 -7.532 8.337 2.676 1.00 0.00 H new ATOM 0 HA ALA A 90 -8.693 6.033 3.951 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -6.597 4.851 4.391 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -6.979 4.862 2.652 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -5.733 5.957 3.297 1.00 0.00 H new ATOM 1268 N LEU A 91 -6.544 8.381 4.734 1.00 0.00 N ATOM 1269 CA LEU A 91 -6.143 9.291 5.793 1.00 0.00 C ATOM 1270 C LEU A 91 -7.369 9.665 6.628 1.00 0.00 C ATOM 1271 O LEU A 91 -8.444 9.914 6.083 1.00 0.00 O ATOM 1272 CB LEU A 91 -5.403 10.498 5.212 1.00 0.00 C ATOM 1273 CG LEU A 91 -3.976 10.717 5.717 1.00 0.00 C ATOM 1274 CD1 LEU A 91 -3.976 11.243 7.153 1.00 0.00 C ATOM 1275 CD2 LEU A 91 -3.143 9.441 5.575 1.00 0.00 C ATOM 0 H LEU A 91 -6.087 8.543 3.837 1.00 0.00 H new ATOM 0 HA LEU A 91 -5.435 8.806 6.464 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -5.371 10.392 4.128 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -5.985 11.394 5.428 1.00 0.00 H new ATOM 0 HG LEU A 91 -3.508 11.480 5.095 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -2.949 11.390 7.487 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -4.510 12.193 7.193 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -4.470 10.522 7.805 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -2.133 9.623 5.941 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -3.601 8.641 6.157 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -3.101 9.148 4.526 1.00 0.00 H new ATOM 1286 N ARG A 92 -7.168 9.694 7.938 1.00 0.00 N ATOM 1287 CA ARG A 92 -8.244 10.034 8.853 1.00 0.00 C ATOM 1288 C ARG A 92 -7.675 10.439 10.214 1.00 0.00 C ATOM 1289 O ARG A 92 -7.983 9.817 11.230 1.00 0.00 O ATOM 1290 CB ARG A 92 -9.202 8.855 9.039 1.00 0.00 C ATOM 1291 CG ARG A 92 -8.442 7.590 9.444 1.00 0.00 C ATOM 1292 CD ARG A 92 -9.377 6.379 9.489 1.00 0.00 C ATOM 1293 NE ARG A 92 -9.202 5.560 8.268 1.00 0.00 N ATOM 1294 CZ ARG A 92 -10.071 4.609 7.866 1.00 0.00 C ATOM 1295 NH1 ARG A 92 -11.184 4.347 8.583 1.00 0.00 N ATOM 1296 NH2 ARG A 92 -9.816 3.937 6.758 1.00 0.00 N ATOM 0 H ARG A 92 -6.276 9.487 8.387 1.00 0.00 H new ATOM 0 HA ARG A 92 -8.794 10.870 8.422 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -9.941 9.099 9.802 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -9.747 8.675 8.113 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -7.634 7.404 8.736 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -7.982 7.735 10.421 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -9.165 5.778 10.374 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -10.412 6.711 9.569 1.00 0.00 H new ATOM 0 HE ARG A 92 -8.374 5.725 7.696 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -11.375 4.870 9.438 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -11.834 3.626 8.270 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -8.973 4.140 6.221 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -10.462 3.215 6.439 1.00 0.00 H new ATOM 1305 N ALA A 93 -6.854 11.479 10.191 1.00 0.00 N ATOM 1306 CA ALA A 93 -6.239 11.975 11.411 1.00 0.00 C ATOM 1307 C ALA A 93 -5.064 12.887 11.051 1.00 0.00 C ATOM 1308 O ALA A 93 -3.907 12.502 11.203 1.00 0.00 O ATOM 1309 CB ALA A 93 -5.814 10.793 12.284 1.00 0.00 C ATOM 0 H ALA A 93 -6.600 11.992 9.347 1.00 0.00 H new ATOM 0 HA ALA A 93 -6.950 12.567 11.987 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -5.353 11.164 13.199 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -6.689 10.194 12.536 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -5.097 10.178 11.740 1.00 0.00 H new ATOM 1315 N LYS A 94 -5.404 14.077 10.578 1.00 0.00 N ATOM 1316 CA LYS A 94 -4.392 15.046 10.195 1.00 0.00 C ATOM 1317 C LYS A 94 -3.654 14.542 8.953 1.00 0.00 C ATOM 1318 O LYS A 94 -3.311 13.365 8.865 1.00 0.00 O ATOM 1319 CB LYS A 94 -3.470 15.353 11.377 1.00 0.00 C ATOM 1320 CG LYS A 94 -4.018 16.509 12.215 1.00 0.00 C ATOM 1321 CD LYS A 94 -2.917 17.137 13.071 1.00 0.00 C ATOM 1322 CE LYS A 94 -2.326 16.114 14.043 1.00 0.00 C ATOM 1323 NZ LYS A 94 -0.937 16.479 14.398 1.00 0.00 N ATOM 0 H LYS A 94 -6.366 14.392 10.451 1.00 0.00 H new ATOM 0 HA LYS A 94 -4.855 15.996 9.927 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -3.365 14.465 12.001 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -2.475 15.605 11.010 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -4.449 17.265 11.559 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -4.821 16.148 12.857 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -2.130 17.529 12.427 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -3.322 17.981 13.628 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -2.937 16.065 14.944 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -2.344 15.122 13.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -0.551 15.774 15.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -0.354 16.503 13.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -0.929 17.416 14.848 1.00 0.00 H new ATOM 1332 N ILE A 95 -3.432 15.460 8.024 1.00 0.00 N ATOM 1333 CA ILE A 95 -2.741 15.124 6.790 1.00 0.00 C ATOM 1334 C ILE A 95 -1.367 14.540 7.124 1.00 0.00 C ATOM 1335 O ILE A 95 -1.184 13.323 7.107 1.00 0.00 O ATOM 1336 CB ILE A 95 -2.684 16.337 5.860 1.00 0.00 C ATOM 1337 CG1 ILE A 95 -4.088 16.869 5.567 1.00 0.00 C ATOM 1338 CG2 ILE A 95 -1.916 16.009 4.578 1.00 0.00 C ATOM 1339 CD1 ILE A 95 -4.881 15.881 4.709 1.00 0.00 C ATOM 0 H ILE A 95 -3.718 16.436 8.101 1.00 0.00 H new ATOM 0 HA ILE A 95 -3.290 14.358 6.242 1.00 0.00 H new ATOM 0 HB ILE A 95 -2.138 17.132 6.368 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -4.616 17.048 6.504 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -4.018 17.828 5.053 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -1.890 16.888 3.934 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -0.897 15.713 4.830 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -2.412 15.191 4.056 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -5.875 16.284 4.515 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -4.363 15.723 3.763 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -4.971 14.931 5.236 1.00 0.00 H new ATOM 1350 N GLU A 96 -0.435 15.434 7.419 1.00 0.00 N ATOM 1351 CA GLU A 96 0.917 15.022 7.756 1.00 0.00 C ATOM 1352 C GLU A 96 0.890 13.751 8.606 1.00 0.00 C ATOM 1353 O GLU A 96 1.612 12.796 8.326 1.00 0.00 O ATOM 1354 CB GLU A 96 1.669 16.146 8.475 1.00 0.00 C ATOM 1355 CG GLU A 96 3.056 16.354 7.863 1.00 0.00 C ATOM 1356 CD GLU A 96 4.065 16.791 8.927 1.00 0.00 C ATOM 1357 OE1 GLU A 96 4.470 15.976 9.769 1.00 0.00 O ATOM 1358 OE2 GLU A 96 4.428 18.027 8.860 1.00 0.00 O ATOM 0 H GLU A 96 -0.589 16.442 7.432 1.00 0.00 H new ATOM 0 HA GLU A 96 1.450 14.805 6.831 1.00 0.00 H new ATOM 0 HB2 GLU A 96 1.096 17.071 8.411 1.00 0.00 H new ATOM 0 HB3 GLU A 96 1.767 15.905 9.533 1.00 0.00 H new ATOM 0 HG2 GLU A 96 3.393 15.429 7.395 1.00 0.00 H new ATOM 0 HG3 GLU A 96 3.001 17.107 7.077 1.00 0.00 H new ATOM 1364 N SER A 97 0.047 13.780 9.629 1.00 0.00 N ATOM 1365 CA SER A 97 -0.085 12.641 10.522 1.00 0.00 C ATOM 1366 C SER A 97 -0.886 11.531 9.840 1.00 0.00 C ATOM 1367 O SER A 97 -2.017 11.246 10.231 1.00 0.00 O ATOM 1368 CB SER A 97 -0.754 13.047 11.837 1.00 0.00 C ATOM 1369 OG SER A 97 0.195 13.487 12.805 1.00 0.00 O ATOM 0 H SER A 97 -0.551 14.574 9.859 1.00 0.00 H new ATOM 0 HA SER A 97 0.914 12.270 10.753 1.00 0.00 H new ATOM 0 HB2 SER A 97 -1.474 13.843 11.647 1.00 0.00 H new ATOM 0 HB3 SER A 97 -1.313 12.201 12.236 1.00 0.00 H new ATOM 0 HG SER A 97 -0.271 13.739 13.629 1.00 0.00 H new ATOM 1374 N GLU A 98 -0.269 10.933 8.831 1.00 0.00 N ATOM 1375 CA GLU A 98 -0.911 9.861 8.091 1.00 0.00 C ATOM 1376 C GLU A 98 -1.053 8.618 8.972 1.00 0.00 C ATOM 1377 O GLU A 98 -0.101 8.210 9.635 1.00 0.00 O ATOM 1378 CB GLU A 98 -0.137 9.538 6.811 1.00 0.00 C ATOM 1379 CG GLU A 98 0.094 10.801 5.977 1.00 0.00 C ATOM 1380 CD GLU A 98 1.174 10.569 4.919 1.00 0.00 C ATOM 1381 OE1 GLU A 98 2.243 10.024 5.232 1.00 0.00 O ATOM 1382 OE2 GLU A 98 0.871 10.977 3.732 1.00 0.00 O ATOM 0 H GLU A 98 0.669 11.171 8.509 1.00 0.00 H new ATOM 0 HA GLU A 98 -1.908 10.193 7.801 1.00 0.00 H new ATOM 0 HB2 GLU A 98 0.821 9.085 7.066 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -0.689 8.805 6.223 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -0.837 11.097 5.493 1.00 0.00 H new ATOM 0 HG3 GLU A 98 0.389 11.623 6.629 1.00 0.00 H new ATOM 1388 N ASN A 99 -2.250 8.052 8.951 1.00 0.00 N ATOM 1389 CA ASN A 99 -2.530 6.865 9.741 1.00 0.00 C ATOM 1390 C ASN A 99 -4.001 6.477 9.568 1.00 0.00 C ATOM 1391 O ASN A 99 -4.881 7.076 10.183 1.00 0.00 O ATOM 1392 CB ASN A 99 -2.281 7.120 11.228 1.00 0.00 C ATOM 1393 CG ASN A 99 -1.953 5.819 11.961 1.00 0.00 C ATOM 1394 OD1 ASN A 99 -2.691 4.848 11.918 1.00 0.00 O ATOM 1395 ND2 ASN A 99 -0.807 5.851 12.636 1.00 0.00 N ATOM 0 H ASN A 99 -3.037 8.393 8.400 1.00 0.00 H new ATOM 0 HA ASN A 99 -1.870 6.069 9.397 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -1.459 7.825 11.347 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -3.163 7.580 11.674 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -0.500 5.031 13.159 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -0.236 6.696 12.631 1.00 0.00 H new ATOM 1401 N PRO A 100 -4.226 5.450 8.705 1.00 0.00 N ATOM 1402 CA PRO A 100 -5.574 4.975 8.444 1.00 0.00 C ATOM 1403 C PRO A 100 -6.103 4.150 9.619 1.00 0.00 C ATOM 1404 O PRO A 100 -6.497 2.998 9.445 1.00 0.00 O ATOM 1405 CB PRO A 100 -5.466 4.174 7.156 1.00 0.00 C ATOM 1406 CG PRO A 100 -3.992 3.841 6.995 1.00 0.00 C ATOM 1407 CD PRO A 100 -3.208 4.717 7.958 1.00 0.00 C ATOM 0 HA PRO A 100 -6.292 5.788 8.333 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -6.068 3.267 7.209 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -5.831 4.750 6.306 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -3.814 2.787 7.207 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -3.670 4.019 5.969 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -2.585 4.117 8.622 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -2.543 5.396 7.424 1.00 0.00 H new ATOM 1412 N ASP A 101 -6.093 4.772 10.788 1.00 0.00 N ATOM 1413 CA ASP A 101 -6.567 4.109 11.991 1.00 0.00 C ATOM 1414 C ASP A 101 -6.689 5.135 13.120 1.00 0.00 C ATOM 1415 O ASP A 101 -7.715 5.203 13.793 1.00 0.00 O ATOM 1416 CB ASP A 101 -5.588 3.023 12.444 1.00 0.00 C ATOM 1417 CG ASP A 101 -6.232 1.815 13.126 1.00 0.00 C ATOM 1418 OD1 ASP A 101 -6.995 1.958 14.093 1.00 0.00 O ATOM 1419 OD2 ASP A 101 -5.919 0.671 12.618 1.00 0.00 O ATOM 0 H ASP A 101 -5.764 5.727 10.928 1.00 0.00 H new ATOM 0 HA ASP A 101 -7.532 3.655 11.767 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -5.028 2.675 11.576 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -4.868 3.468 13.131 1.00 0.00 H new ATOM 1424 N ALA A 102 -5.626 5.908 13.291 1.00 0.00 N ATOM 1425 CA ALA A 102 -5.601 6.928 14.325 1.00 0.00 C ATOM 1426 C ALA A 102 -5.497 6.255 15.695 1.00 0.00 C ATOM 1427 O ALA A 102 -6.051 6.749 16.677 1.00 0.00 O ATOM 1428 CB ALA A 102 -6.844 7.811 14.202 1.00 0.00 C ATOM 0 H ALA A 102 -4.776 5.848 12.731 1.00 0.00 H new ATOM 0 HA ALA A 102 -4.731 7.573 14.207 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -6.825 8.576 14.978 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -6.856 8.288 13.222 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -7.738 7.199 14.318 1.00 0.00 H new ATOM 1434 N VAL A 103 -4.786 5.138 15.719 1.00 0.00 N ATOM 1435 CA VAL A 103 -4.603 4.393 16.953 1.00 0.00 C ATOM 1436 C VAL A 103 -3.107 4.244 17.236 1.00 0.00 C ATOM 1437 O VAL A 103 -2.296 5.020 16.733 1.00 0.00 O ATOM 1438 CB VAL A 103 -5.331 3.051 16.866 1.00 0.00 C ATOM 1439 CG1 VAL A 103 -4.444 1.986 16.217 1.00 0.00 C ATOM 1440 CG2 VAL A 103 -5.812 2.597 18.246 1.00 0.00 C ATOM 0 H VAL A 103 -4.329 4.730 14.903 1.00 0.00 H new ATOM 0 HA VAL A 103 -5.041 4.932 17.793 1.00 0.00 H new ATOM 0 HB VAL A 103 -6.208 3.187 16.233 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -4.986 1.042 16.168 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -4.174 2.302 15.210 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -3.540 1.854 16.811 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -6.326 1.640 18.155 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -4.956 2.487 18.912 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -6.497 3.340 18.655 1.00 0.00 H new ATOM 1450 N ALA A 104 -2.786 3.240 18.040 1.00 0.00 N ATOM 1451 CA ALA A 104 -1.401 2.979 18.396 1.00 0.00 C ATOM 1452 C ALA A 104 -1.331 1.717 19.258 1.00 0.00 C ATOM 1453 O ALA A 104 -0.648 0.757 18.903 1.00 0.00 O ATOM 1454 CB ALA A 104 -0.818 4.203 19.105 1.00 0.00 C ATOM 0 H ALA A 104 -3.461 2.598 18.455 1.00 0.00 H new ATOM 0 HA ALA A 104 -0.801 2.802 17.504 1.00 0.00 H new ATOM 0 HB1 ALA A 104 0.221 4.008 19.372 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -0.866 5.066 18.440 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -1.393 4.408 20.008 1.00 0.00 H new ATOM 1460 N ASN A 105 -2.045 1.759 20.373 1.00 0.00 N ATOM 1461 CA ASN A 105 -2.071 0.631 21.287 1.00 0.00 C ATOM 1462 C ASN A 105 -2.731 1.058 22.600 1.00 0.00 C ATOM 1463 O ASN A 105 -2.909 2.250 22.850 1.00 0.00 O ATOM 1464 CB ASN A 105 -0.655 0.147 21.607 1.00 0.00 C ATOM 1465 CG ASN A 105 -0.515 -1.353 21.341 1.00 0.00 C ATOM 1466 OD1 ASN A 105 -0.980 -1.880 20.343 1.00 0.00 O ATOM 1467 ND2 ASN A 105 0.150 -2.010 22.287 1.00 0.00 N ATOM 0 H ASN A 105 -2.610 2.557 20.664 1.00 0.00 H new ATOM 0 HA ASN A 105 -2.629 -0.175 20.810 1.00 0.00 H new ATOM 0 HB2 ASN A 105 0.066 0.696 21.002 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -0.422 0.358 22.651 1.00 0.00 H new ATOM 0 HD21 ASN A 105 0.297 -3.016 22.202 1.00 0.00 H new ATOM 0 HD22 ASN A 105 0.513 -1.508 23.097 1.00 0.00 H new ATOM 1473 N VAL A 106 -3.077 0.063 23.403 1.00 0.00 N ATOM 1474 CA VAL A 106 -3.714 0.321 24.683 1.00 0.00 C ATOM 1475 C VAL A 106 -3.110 -0.600 25.744 1.00 0.00 C ATOM 1476 O VAL A 106 -2.416 -1.561 25.414 1.00 0.00 O ATOM 1477 CB VAL A 106 -5.232 0.169 24.553 1.00 0.00 C ATOM 1478 CG1 VAL A 106 -5.958 0.974 25.633 1.00 0.00 C ATOM 1479 CG2 VAL A 106 -5.705 0.574 23.155 1.00 0.00 C ATOM 0 H VAL A 106 -2.928 -0.924 23.192 1.00 0.00 H new ATOM 0 HA VAL A 106 -3.530 1.347 25.001 1.00 0.00 H new ATOM 0 HB VAL A 106 -5.478 -0.883 24.698 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -7.035 0.849 25.518 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -5.654 0.618 26.618 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -5.703 2.029 25.534 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -6.787 0.457 23.089 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -5.441 1.615 22.969 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -5.225 -0.061 22.410 1.00 0.00 H new ATOM 1489 N GLN A 107 -3.395 -0.275 26.996 1.00 0.00 N ATOM 1490 CA GLN A 107 -2.888 -1.061 28.108 1.00 0.00 C ATOM 1491 C GLN A 107 -3.334 -0.450 29.438 1.00 0.00 C ATOM 1492 O GLN A 107 -3.496 0.765 29.543 1.00 0.00 O ATOM 1493 CB GLN A 107 -1.364 -1.184 28.044 1.00 0.00 C ATOM 1494 CG GLN A 107 -0.819 -1.902 29.278 1.00 0.00 C ATOM 1495 CD GLN A 107 0.676 -2.190 29.130 1.00 0.00 C ATOM 1496 OE1 GLN A 107 1.151 -2.622 28.093 1.00 0.00 O ATOM 1497 NE2 GLN A 107 1.389 -1.927 30.222 1.00 0.00 N ATOM 0 H GLN A 107 -3.971 0.523 27.265 1.00 0.00 H new ATOM 0 HA GLN A 107 -3.304 -2.066 28.035 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -1.077 -1.730 27.145 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -0.919 -0.192 27.970 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -0.989 -1.290 30.164 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -1.360 -2.836 29.428 1.00 0.00 H new ATOM 0 HE21 GLN A 107 0.928 -1.567 31.057 1.00 0.00 H new ATOM 0 HE22 GLN A 107 2.397 -2.086 30.224 1.00 0.00 H new ATOM 1504 N ALA A 108 -3.519 -1.320 30.420 1.00 0.00 N ATOM 1505 CA ALA A 108 -3.943 -0.881 31.739 1.00 0.00 C ATOM 1506 C ALA A 108 -5.466 -0.750 31.763 1.00 0.00 C ATOM 1507 O ALA A 108 -5.999 0.289 32.150 1.00 0.00 O ATOM 1508 CB ALA A 108 -3.239 0.432 32.090 1.00 0.00 C ATOM 0 H ALA A 108 -3.383 -2.327 30.329 1.00 0.00 H new ATOM 0 HA ALA A 108 -3.664 -1.614 32.496 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -3.557 0.762 33.079 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -2.160 0.278 32.088 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -3.499 1.192 31.353 1.00 0.00 H new ATOM 1514 N ARG A 109 -6.127 -1.821 31.344 1.00 0.00 N ATOM 1515 CA ARG A 109 -7.580 -1.839 31.313 1.00 0.00 C ATOM 1516 C ARG A 109 -8.099 -3.244 31.622 1.00 0.00 C ATOM 1517 O ARG A 109 -9.213 -3.596 31.237 1.00 0.00 O ATOM 1518 CB ARG A 109 -8.107 -1.396 29.947 1.00 0.00 C ATOM 1519 CG ARG A 109 -7.705 -2.391 28.855 1.00 0.00 C ATOM 1520 CD ARG A 109 -6.372 -1.997 28.217 1.00 0.00 C ATOM 1521 NE ARG A 109 -5.582 -3.209 27.908 1.00 0.00 N ATOM 1522 CZ ARG A 109 -5.689 -3.910 26.758 1.00 0.00 C ATOM 1523 NH1 ARG A 109 -6.557 -3.524 25.799 1.00 0.00 N ATOM 1524 NH2 ARG A 109 -4.933 -4.978 26.587 1.00 0.00 N ATOM 0 H ARG A 109 -5.683 -2.681 31.024 1.00 0.00 H new ATOM 0 HA ARG A 109 -7.937 -1.141 32.070 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -9.193 -1.309 29.983 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -7.716 -0.408 29.705 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -7.627 -3.391 29.281 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -8.481 -2.430 28.090 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -6.550 -1.427 27.305 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -5.813 -1.351 28.893 1.00 0.00 H new ATOM 0 HE ARG A 109 -4.915 -3.536 28.607 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -7.138 -2.698 25.940 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -6.632 -4.059 24.934 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -4.280 -5.263 27.317 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -5.001 -5.518 25.725 1.00 0.00 H new ATOM 1533 N LEU A 110 -7.268 -4.010 32.313 1.00 0.00 N ATOM 1534 CA LEU A 110 -7.630 -5.369 32.678 1.00 0.00 C ATOM 1535 C LEU A 110 -8.422 -5.347 33.987 1.00 0.00 C ATOM 1536 O LEU A 110 -8.132 -4.551 34.880 1.00 0.00 O ATOM 1537 CB LEU A 110 -6.387 -6.259 32.726 1.00 0.00 C ATOM 1538 CG LEU A 110 -6.617 -7.709 33.157 1.00 0.00 C ATOM 1539 CD1 LEU A 110 -5.907 -8.682 32.213 1.00 0.00 C ATOM 1540 CD2 LEU A 110 -6.201 -7.920 34.615 1.00 0.00 C ATOM 0 H LEU A 110 -6.344 -3.715 32.630 1.00 0.00 H new ATOM 0 HA LEU A 110 -8.279 -5.808 31.920 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -5.929 -6.263 31.737 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -5.667 -5.808 33.409 1.00 0.00 H new ATOM 0 HG LEU A 110 -7.685 -7.919 33.092 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -6.087 -9.705 32.542 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -6.292 -8.554 31.201 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -4.836 -8.481 32.222 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -6.375 -8.959 34.896 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -5.143 -7.685 34.729 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -6.789 -7.266 35.259 1.00 0.00 H new ATOM 1551 N GLU A 111 -9.406 -6.231 34.061 1.00 0.00 N ATOM 1552 CA GLU A 111 -10.241 -6.323 35.246 1.00 0.00 C ATOM 1553 C GLU A 111 -10.506 -7.789 35.597 1.00 0.00 C ATOM 1554 O GLU A 111 -9.661 -8.650 35.357 1.00 0.00 O ATOM 1555 CB GLU A 111 -11.554 -5.561 35.053 1.00 0.00 C ATOM 1556 CG GLU A 111 -11.359 -4.361 34.124 1.00 0.00 C ATOM 1557 CD GLU A 111 -12.432 -3.298 34.368 1.00 0.00 C ATOM 1558 OE1 GLU A 111 -13.343 -3.513 35.180 1.00 0.00 O ATOM 1559 OE2 GLU A 111 -12.295 -2.217 33.677 1.00 0.00 O ATOM 0 H GLU A 111 -9.644 -6.890 33.319 1.00 0.00 H new ATOM 0 HA GLU A 111 -9.709 -5.860 36.077 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -12.309 -6.229 34.637 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -11.927 -5.221 36.019 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -10.371 -3.929 34.285 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -11.398 -4.690 33.086 1.00 0.00 H new ATOM 1565 N ALA A 112 -11.682 -8.027 36.158 1.00 0.00 N ATOM 1566 CA ALA A 112 -12.068 -9.374 36.544 1.00 0.00 C ATOM 1567 C ALA A 112 -13.576 -9.413 36.804 1.00 0.00 C ATOM 1568 O ALA A 112 -14.247 -8.385 36.734 1.00 0.00 O ATOM 1569 CB ALA A 112 -11.254 -9.809 37.764 1.00 0.00 C ATOM 0 H ALA A 112 -12.380 -7.310 36.355 1.00 0.00 H new ATOM 0 HA ALA A 112 -11.854 -10.080 35.741 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -11.544 -10.819 38.053 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -10.192 -9.792 37.518 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -11.445 -9.126 38.591 1.00 0.00 H new ATOM 1575 N GLU A 113 -14.062 -10.610 37.098 1.00 0.00 N ATOM 1576 CA GLU A 113 -15.477 -10.796 37.369 1.00 0.00 C ATOM 1577 C GLU A 113 -15.787 -12.279 37.582 1.00 0.00 C ATOM 1578 O GLU A 113 -16.613 -12.852 36.875 1.00 0.00 O ATOM 1579 CB GLU A 113 -16.332 -10.214 36.241 1.00 0.00 C ATOM 1580 CG GLU A 113 -17.274 -9.131 36.771 1.00 0.00 C ATOM 1581 CD GLU A 113 -18.360 -8.800 35.745 1.00 0.00 C ATOM 1582 OE1 GLU A 113 -18.121 -8.903 34.533 1.00 0.00 O ATOM 1583 OE2 GLU A 113 -19.487 -8.423 36.247 1.00 0.00 O ATOM 0 H GLU A 113 -13.501 -11.460 37.154 1.00 0.00 H new ATOM 0 HA GLU A 113 -15.725 -10.258 38.284 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -15.686 -9.794 35.470 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -16.913 -11.009 35.773 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -17.736 -9.468 37.699 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -16.705 -8.232 37.006 1.00 0.00 H new ATOM 1589 N SER A 114 -15.104 -12.859 38.559 1.00 0.00 N ATOM 1590 CA SER A 114 -15.296 -14.264 38.875 1.00 0.00 C ATOM 1591 C SER A 114 -16.434 -14.424 39.884 1.00 0.00 C ATOM 1592 O SER A 114 -16.193 -14.529 41.085 1.00 0.00 O ATOM 1593 CB SER A 114 -14.009 -14.886 39.422 1.00 0.00 C ATOM 1594 OG SER A 114 -13.503 -14.165 40.542 1.00 0.00 O ATOM 0 H SER A 114 -14.417 -12.381 39.142 1.00 0.00 H new ATOM 0 HA SER A 114 -15.559 -14.788 37.956 1.00 0.00 H new ATOM 0 HB2 SER A 114 -14.200 -15.919 39.712 1.00 0.00 H new ATOM 0 HB3 SER A 114 -13.255 -14.910 38.635 1.00 0.00 H new ATOM 0 HG SER A 114 -14.229 -13.999 41.179 1.00 0.00 H new ATOM 1599 N LYS A 115 -17.651 -14.437 39.358 1.00 0.00 N ATOM 1600 CA LYS A 115 -18.827 -14.582 40.199 1.00 0.00 C ATOM 1601 C LYS A 115 -18.963 -16.043 40.630 1.00 0.00 C ATOM 1602 O LYS A 115 -19.040 -16.339 41.822 1.00 0.00 O ATOM 1603 CB LYS A 115 -20.065 -14.033 39.487 1.00 0.00 C ATOM 1604 CG LYS A 115 -20.836 -13.070 40.393 1.00 0.00 C ATOM 1605 CD LYS A 115 -22.343 -13.322 40.304 1.00 0.00 C ATOM 1606 CE LYS A 115 -23.127 -12.217 41.014 1.00 0.00 C ATOM 1607 NZ LYS A 115 -24.131 -11.626 40.101 1.00 0.00 N ATOM 0 H LYS A 115 -17.847 -14.350 38.361 1.00 0.00 H new ATOM 0 HA LYS A 115 -18.721 -13.990 41.108 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -19.766 -13.518 38.574 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -20.714 -14.857 39.190 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -20.504 -13.190 41.424 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -20.618 -12.041 40.106 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -22.646 -13.373 39.258 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -22.581 -14.287 40.752 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -23.623 -12.623 41.895 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -22.443 -11.443 41.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -24.655 -10.878 40.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -23.651 -11.221 39.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -24.794 -12.364 39.790 1.00 0.00 H new TER 1616 LYS A 115