USER MOD reduce.3.24.130724 H: found=0, std=0, add=503, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 501 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 NoAdj-H: A 32 HIS HD1 : A 32 HIS ND1 : A 998 ZNZN :(H bumps) USER MOD NoAdj-H: A 61 HIS HD1 : A 61 HIS ND1 : A 999 ZNZN :(H bumps) USER MOD Set 1.1: A 43 GLN : amide:sc= -0.256 K(o=-1.7,f=-5.1) USER MOD Set 1.2: A 44 GLN :FLIP amide:sc= -1.44 F(o=-2.3!,f=-1.7) USER MOD Set 2.1: A 26 SER OG : rot -39:sc= -0.058 USER MOD Set 2.2: A 27 ASN : amide:sc= -3.81! C(o=-2.4!,f=-5.7!) USER MOD Set 2.3: A 31 TYR OH : rot 93:sc= 1.45 USER MOD Set 3.1: A 9 THR OG1 : rot -70:sc= 0.958 USER MOD Set 3.2: A 14 LYS NZ :NH3+ -169:sc= 1.26 (180deg=0) USER MOD Single : A 1 MET CE :methyl -149:sc= -0.0861 (180deg=-0.103) USER MOD Single : A 1 MET N :NH3+ -125:sc= 0.0274 (180deg=-0.121) USER MOD Single : A 3 ASN : amide:sc= -0.0702 X(o=-0.07,f=-0.42) USER MOD Single : A 7 SER OG : rot 180:sc=-0.00447 USER MOD Single : A 22 LYS NZ :NH3+ -129:sc= 0.682 (180deg=-0.9!) USER MOD Single : A 25 ASN : amide:sc=-0.00579 X(o=-0.0058,f=-0.022) USER MOD Single : A 34 GLN : amide:sc= -0.0129 K(o=-0.013,f=-2.3!) USER MOD Single : A 40 GLN : amide:sc= 0.859 K(o=0.86,f=-0.79) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 167:sc= -0.305 (180deg=-0.615) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= -0.68 X(o=-0.68,f=-0.94) USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 CYS SG : rot 180:sc= 0.0885 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.849 -20.431 -5.044 1.00 0.00 N ATOM 2 CA MET A 1 5.076 -20.803 -5.806 1.00 0.00 C ATOM 3 C MET A 1 6.243 -20.992 -4.834 1.00 0.00 C ATOM 4 O MET A 1 6.255 -20.441 -3.750 1.00 0.00 O ATOM 5 CB MET A 1 5.417 -19.689 -6.802 1.00 0.00 C ATOM 6 CG MET A 1 4.438 -19.732 -7.980 1.00 0.00 C ATOM 7 SD MET A 1 4.003 -18.043 -8.465 1.00 0.00 S ATOM 8 CE MET A 1 2.729 -17.762 -7.211 1.00 0.00 C ATOM 0 H1 MET A 1 3.084 -21.097 -5.272 1.00 0.00 H new ATOM 0 H2 MET A 1 4.049 -20.469 -4.024 1.00 0.00 H new ATOM 0 H3 MET A 1 3.558 -19.467 -5.304 1.00 0.00 H new ATOM 0 HA MET A 1 4.899 -21.733 -6.347 1.00 0.00 H new ATOM 0 HB2 MET A 1 5.365 -18.718 -6.309 1.00 0.00 H new ATOM 0 HB3 MET A 1 6.439 -19.810 -7.161 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.888 -20.259 -8.821 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.541 -20.284 -7.701 1.00 0.00 H new ATOM 0 HE1 MET A 1 1.972 -17.084 -7.606 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.263 -18.711 -6.947 1.00 0.00 H new ATOM 0 HE3 MET A 1 3.183 -17.321 -6.324 1.00 0.00 H new ATOM 18 N ALA A 2 7.224 -21.768 -5.216 1.00 0.00 N ATOM 19 CA ALA A 2 8.395 -21.999 -4.322 1.00 0.00 C ATOM 20 C ALA A 2 9.617 -22.363 -5.170 1.00 0.00 C ATOM 21 O ALA A 2 10.634 -21.700 -5.126 1.00 0.00 O ATOM 22 CB ALA A 2 8.083 -23.144 -3.355 1.00 0.00 C ATOM 0 H ALA A 2 7.263 -22.253 -6.112 1.00 0.00 H new ATOM 0 HA ALA A 2 8.603 -21.093 -3.753 1.00 0.00 H new ATOM 0 HB1 ALA A 2 8.939 -23.312 -2.702 1.00 0.00 H new ATOM 0 HB2 ALA A 2 7.213 -22.884 -2.752 1.00 0.00 H new ATOM 0 HB3 ALA A 2 7.875 -24.052 -3.921 1.00 0.00 H new ATOM 28 N ASN A 3 9.516 -23.413 -5.944 1.00 0.00 N ATOM 29 CA ASN A 3 10.662 -23.833 -6.804 1.00 0.00 C ATOM 30 C ASN A 3 10.275 -23.686 -8.279 1.00 0.00 C ATOM 31 O ASN A 3 11.018 -24.063 -9.164 1.00 0.00 O ATOM 32 CB ASN A 3 11.012 -25.294 -6.508 1.00 0.00 C ATOM 33 CG ASN A 3 9.774 -26.172 -6.714 1.00 0.00 C ATOM 34 OD1 ASN A 3 8.958 -26.309 -5.826 1.00 0.00 O ATOM 35 ND2 ASN A 3 9.601 -26.772 -7.859 1.00 0.00 N ATOM 0 H ASN A 3 8.685 -24.000 -6.017 1.00 0.00 H new ATOM 0 HA ASN A 3 11.526 -23.203 -6.593 1.00 0.00 H new ATOM 0 HB2 ASN A 3 11.818 -25.625 -7.163 1.00 0.00 H new ATOM 0 HB3 ASN A 3 11.373 -25.392 -5.484 1.00 0.00 H new ATOM 0 HD21 ASN A 3 8.779 -27.357 -8.009 1.00 0.00 H new ATOM 0 HD22 ASN A 3 10.288 -26.656 -8.604 1.00 0.00 H new ATOM 42 N ALA A 4 9.115 -23.140 -8.546 1.00 0.00 N ATOM 43 CA ALA A 4 8.670 -22.965 -9.960 1.00 0.00 C ATOM 44 C ALA A 4 8.413 -21.479 -10.231 1.00 0.00 C ATOM 45 O ALA A 4 7.301 -21.001 -10.120 1.00 0.00 O ATOM 46 CB ALA A 4 7.382 -23.761 -10.189 1.00 0.00 C ATOM 0 H ALA A 4 8.456 -22.807 -7.842 1.00 0.00 H new ATOM 0 HA ALA A 4 9.444 -23.327 -10.636 1.00 0.00 H new ATOM 0 HB1 ALA A 4 7.055 -23.635 -11.221 1.00 0.00 H new ATOM 0 HB2 ALA A 4 7.567 -24.817 -9.994 1.00 0.00 H new ATOM 0 HB3 ALA A 4 6.606 -23.398 -9.515 1.00 0.00 H new ATOM 52 N LEU A 5 9.441 -20.749 -10.587 1.00 0.00 N ATOM 53 CA LEU A 5 9.279 -19.289 -10.871 1.00 0.00 C ATOM 54 C LEU A 5 8.668 -18.587 -9.651 1.00 0.00 C ATOM 55 O LEU A 5 8.690 -19.103 -8.550 1.00 0.00 O ATOM 56 CB LEU A 5 8.363 -19.095 -12.089 1.00 0.00 C ATOM 57 CG LEU A 5 8.835 -19.983 -13.246 1.00 0.00 C ATOM 58 CD1 LEU A 5 7.840 -19.881 -14.405 1.00 0.00 C ATOM 59 CD2 LEU A 5 10.218 -19.520 -13.720 1.00 0.00 C ATOM 0 H LEU A 5 10.391 -21.104 -10.694 1.00 0.00 H new ATOM 0 HA LEU A 5 10.257 -18.856 -11.083 1.00 0.00 H new ATOM 0 HB2 LEU A 5 7.335 -19.344 -11.825 1.00 0.00 H new ATOM 0 HB3 LEU A 5 8.369 -18.049 -12.396 1.00 0.00 H new ATOM 0 HG LEU A 5 8.896 -21.017 -12.906 1.00 0.00 H new ATOM 0 HD11 LEU A 5 8.175 -20.512 -15.228 1.00 0.00 H new ATOM 0 HD12 LEU A 5 6.857 -20.212 -14.071 1.00 0.00 H new ATOM 0 HD13 LEU A 5 7.779 -18.846 -14.742 1.00 0.00 H new ATOM 0 HD21 LEU A 5 10.551 -20.153 -14.543 1.00 0.00 H new ATOM 0 HD22 LEU A 5 10.159 -18.486 -14.059 1.00 0.00 H new ATOM 0 HD23 LEU A 5 10.928 -19.592 -12.896 1.00 0.00 H new ATOM 71 N ALA A 6 8.125 -17.413 -9.842 1.00 0.00 N ATOM 72 CA ALA A 6 7.513 -16.671 -8.701 1.00 0.00 C ATOM 73 C ALA A 6 6.511 -15.646 -9.243 1.00 0.00 C ATOM 74 O ALA A 6 6.573 -14.473 -8.929 1.00 0.00 O ATOM 75 CB ALA A 6 8.613 -15.954 -7.911 1.00 0.00 C ATOM 0 H ALA A 6 8.079 -16.935 -10.742 1.00 0.00 H new ATOM 0 HA ALA A 6 6.995 -17.369 -8.043 1.00 0.00 H new ATOM 0 HB1 ALA A 6 8.167 -15.412 -7.077 1.00 0.00 H new ATOM 0 HB2 ALA A 6 9.323 -16.687 -7.529 1.00 0.00 H new ATOM 0 HB3 ALA A 6 9.132 -15.253 -8.564 1.00 0.00 H new ATOM 81 N SER A 7 5.584 -16.085 -10.056 1.00 0.00 N ATOM 82 CA SER A 7 4.572 -15.144 -10.622 1.00 0.00 C ATOM 83 C SER A 7 3.614 -14.699 -9.511 1.00 0.00 C ATOM 84 O SER A 7 2.576 -15.294 -9.295 1.00 0.00 O ATOM 85 CB SER A 7 3.784 -15.851 -11.728 1.00 0.00 C ATOM 86 OG SER A 7 4.674 -16.231 -12.770 1.00 0.00 O ATOM 0 H SER A 7 5.485 -17.056 -10.352 1.00 0.00 H new ATOM 0 HA SER A 7 5.075 -14.271 -11.037 1.00 0.00 H new ATOM 0 HB2 SER A 7 3.280 -16.730 -11.326 1.00 0.00 H new ATOM 0 HB3 SER A 7 3.010 -15.190 -12.118 1.00 0.00 H new ATOM 0 HG SER A 7 4.173 -16.685 -13.479 1.00 0.00 H new ATOM 92 N ALA A 8 3.962 -13.655 -8.805 1.00 0.00 N ATOM 93 CA ALA A 8 3.083 -13.163 -7.703 1.00 0.00 C ATOM 94 C ALA A 8 1.874 -12.431 -8.294 1.00 0.00 C ATOM 95 O ALA A 8 1.635 -12.466 -9.487 1.00 0.00 O ATOM 96 CB ALA A 8 3.878 -12.204 -6.813 1.00 0.00 C ATOM 0 H ALA A 8 4.819 -13.121 -8.945 1.00 0.00 H new ATOM 0 HA ALA A 8 2.735 -14.009 -7.110 1.00 0.00 H new ATOM 0 HB1 ALA A 8 3.240 -11.842 -6.007 1.00 0.00 H new ATOM 0 HB2 ALA A 8 4.736 -12.727 -6.390 1.00 0.00 H new ATOM 0 HB3 ALA A 8 4.225 -11.359 -7.408 1.00 0.00 H new ATOM 102 N THR A 9 1.112 -11.767 -7.464 1.00 0.00 N ATOM 103 CA THR A 9 -0.084 -11.028 -7.965 1.00 0.00 C ATOM 104 C THR A 9 0.087 -9.533 -7.684 1.00 0.00 C ATOM 105 O THR A 9 0.923 -9.130 -6.897 1.00 0.00 O ATOM 106 CB THR A 9 -1.342 -11.540 -7.255 1.00 0.00 C ATOM 107 OG1 THR A 9 -1.284 -11.184 -5.879 1.00 0.00 O ATOM 108 CG2 THR A 9 -1.429 -13.062 -7.386 1.00 0.00 C ATOM 0 H THR A 9 1.267 -11.705 -6.458 1.00 0.00 H new ATOM 0 HA THR A 9 -0.185 -11.189 -9.038 1.00 0.00 H new ATOM 0 HB THR A 9 -2.223 -11.091 -7.713 1.00 0.00 H new ATOM 0 HG1 THR A 9 -0.589 -11.712 -5.434 1.00 0.00 H new ATOM 0 HG21 THR A 9 -2.325 -13.420 -6.879 1.00 0.00 H new ATOM 0 HG22 THR A 9 -1.475 -13.334 -8.440 1.00 0.00 H new ATOM 0 HG23 THR A 9 -0.549 -13.517 -6.932 1.00 0.00 H new ATOM 116 N CYS A 10 -0.696 -8.710 -8.328 1.00 0.00 N ATOM 117 CA CYS A 10 -0.582 -7.235 -8.118 1.00 0.00 C ATOM 118 C CYS A 10 -1.023 -6.859 -6.704 1.00 0.00 C ATOM 119 O CYS A 10 -1.695 -7.607 -6.024 1.00 0.00 O ATOM 120 CB CYS A 10 -1.449 -6.515 -9.143 1.00 0.00 C ATOM 121 SG CYS A 10 -1.227 -4.726 -8.992 1.00 0.00 S ATOM 0 H CYS A 10 -1.414 -8.996 -8.994 1.00 0.00 H new ATOM 0 HA CYS A 10 0.459 -6.936 -8.243 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -1.183 -6.839 -10.149 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -2.497 -6.774 -8.992 1.00 0.00 H new ATOM 126 N GLU A 11 -0.624 -5.699 -6.259 1.00 0.00 N ATOM 127 CA GLU A 11 -0.980 -5.243 -4.888 1.00 0.00 C ATOM 128 C GLU A 11 -2.331 -4.519 -4.901 1.00 0.00 C ATOM 129 O GLU A 11 -3.172 -4.743 -4.052 1.00 0.00 O ATOM 130 CB GLU A 11 0.112 -4.282 -4.410 1.00 0.00 C ATOM 131 CG GLU A 11 -0.312 -3.601 -3.102 1.00 0.00 C ATOM 132 CD GLU A 11 -0.545 -4.659 -2.020 1.00 0.00 C ATOM 133 OE1 GLU A 11 0.413 -5.316 -1.645 1.00 0.00 O ATOM 134 OE2 GLU A 11 -1.676 -4.793 -1.584 1.00 0.00 O ATOM 0 H GLU A 11 -0.059 -5.040 -6.795 1.00 0.00 H new ATOM 0 HA GLU A 11 -1.057 -6.101 -4.220 1.00 0.00 H new ATOM 0 HB2 GLU A 11 1.044 -4.826 -4.259 1.00 0.00 H new ATOM 0 HB3 GLU A 11 0.303 -3.529 -5.175 1.00 0.00 H new ATOM 0 HG2 GLU A 11 0.458 -2.901 -2.779 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -1.222 -3.023 -3.260 1.00 0.00 H new ATOM 141 N ARG A 12 -2.536 -3.637 -5.843 1.00 0.00 N ATOM 142 CA ARG A 12 -3.820 -2.875 -5.898 1.00 0.00 C ATOM 143 C ARG A 12 -4.798 -3.539 -6.872 1.00 0.00 C ATOM 144 O ARG A 12 -5.723 -2.914 -7.355 1.00 0.00 O ATOM 145 CB ARG A 12 -3.528 -1.442 -6.350 1.00 0.00 C ATOM 146 CG ARG A 12 -2.622 -0.767 -5.315 1.00 0.00 C ATOM 147 CD ARG A 12 -1.161 -0.887 -5.748 1.00 0.00 C ATOM 148 NE ARG A 12 -0.277 -0.586 -4.585 1.00 0.00 N ATOM 149 CZ ARG A 12 0.969 -0.978 -4.582 1.00 0.00 C ATOM 150 NH1 ARG A 12 1.439 -1.689 -5.569 1.00 0.00 N ATOM 151 NH2 ARG A 12 1.741 -0.668 -3.580 1.00 0.00 N ATOM 0 H ARG A 12 -1.868 -3.410 -6.580 1.00 0.00 H new ATOM 0 HA ARG A 12 -4.276 -2.867 -4.908 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -3.045 -1.447 -7.327 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -4.458 -0.884 -6.457 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -2.894 0.283 -5.210 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -2.761 -1.232 -4.339 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -0.961 -1.892 -6.121 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -0.954 -0.196 -6.565 1.00 0.00 H new ATOM 0 HE ARG A 12 -0.648 -0.071 -3.787 1.00 0.00 H new ATOM 0 HH11 ARG A 12 0.833 -1.942 -6.349 1.00 0.00 H new ATOM 0 HH12 ARG A 12 2.413 -1.992 -5.561 1.00 0.00 H new ATOM 0 HH21 ARG A 12 1.372 -0.121 -2.802 1.00 0.00 H new ATOM 0 HH22 ARG A 12 2.715 -0.972 -3.573 1.00 0.00 H new ATOM 165 N CYS A 13 -4.610 -4.798 -7.157 1.00 0.00 N ATOM 166 CA CYS A 13 -5.538 -5.499 -8.092 1.00 0.00 C ATOM 167 C CYS A 13 -5.413 -7.017 -7.908 1.00 0.00 C ATOM 168 O CYS A 13 -6.343 -7.757 -8.164 1.00 0.00 O ATOM 169 CB CYS A 13 -5.206 -5.104 -9.536 1.00 0.00 C ATOM 170 SG CYS A 13 -4.345 -6.461 -10.365 1.00 0.00 S ATOM 0 H CYS A 13 -3.854 -5.373 -6.784 1.00 0.00 H new ATOM 0 HA CYS A 13 -6.565 -5.206 -7.874 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -6.122 -4.860 -10.075 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -4.584 -4.209 -9.543 1.00 0.00 H new ATOM 175 N LYS A 14 -4.271 -7.484 -7.457 1.00 0.00 N ATOM 176 CA LYS A 14 -4.080 -8.951 -7.244 1.00 0.00 C ATOM 177 C LYS A 14 -4.171 -9.696 -8.579 1.00 0.00 C ATOM 178 O LYS A 14 -4.737 -10.770 -8.666 1.00 0.00 O ATOM 179 CB LYS A 14 -5.154 -9.472 -6.279 1.00 0.00 C ATOM 180 CG LYS A 14 -4.504 -10.357 -5.209 1.00 0.00 C ATOM 181 CD LYS A 14 -3.935 -9.480 -4.090 1.00 0.00 C ATOM 182 CE LYS A 14 -3.312 -10.365 -3.007 1.00 0.00 C ATOM 183 NZ LYS A 14 -1.908 -10.696 -3.381 1.00 0.00 N ATOM 0 H LYS A 14 -3.462 -6.907 -7.227 1.00 0.00 H new ATOM 0 HA LYS A 14 -3.093 -9.124 -6.815 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -5.670 -8.635 -5.808 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -5.904 -10.041 -6.828 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -5.239 -11.051 -4.802 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -3.710 -10.957 -5.653 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -3.185 -8.800 -4.494 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -4.725 -8.864 -3.660 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -3.332 -9.850 -2.046 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -3.894 -11.279 -2.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -1.547 -11.440 -2.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -1.881 -11.032 -4.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -1.315 -9.847 -3.289 1.00 0.00 H new ATOM 197 N GLY A 15 -3.600 -9.146 -9.619 1.00 0.00 N ATOM 198 CA GLY A 15 -3.638 -9.834 -10.940 1.00 0.00 C ATOM 199 C GLY A 15 -2.369 -10.670 -11.092 1.00 0.00 C ATOM 200 O GLY A 15 -1.269 -10.155 -11.027 1.00 0.00 O ATOM 0 H GLY A 15 -3.110 -8.251 -9.609 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -4.520 -10.470 -11.010 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -3.708 -9.103 -11.745 1.00 0.00 H new ATOM 204 N GLY A 16 -2.513 -11.956 -11.279 1.00 0.00 N ATOM 205 CA GLY A 16 -1.315 -12.832 -11.424 1.00 0.00 C ATOM 206 C GLY A 16 -0.467 -12.356 -12.603 1.00 0.00 C ATOM 207 O GLY A 16 -0.753 -12.659 -13.746 1.00 0.00 O ATOM 0 H GLY A 16 -3.410 -12.437 -11.338 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -0.725 -12.812 -10.508 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -1.625 -13.865 -11.581 1.00 0.00 H new ATOM 211 N PHE A 17 0.574 -11.613 -12.331 1.00 0.00 N ATOM 212 CA PHE A 17 1.451 -11.110 -13.431 1.00 0.00 C ATOM 213 C PHE A 17 2.845 -11.738 -13.306 1.00 0.00 C ATOM 214 O PHE A 17 3.061 -12.640 -12.517 1.00 0.00 O ATOM 215 CB PHE A 17 1.553 -9.574 -13.366 1.00 0.00 C ATOM 216 CG PHE A 17 1.758 -9.080 -11.939 1.00 0.00 C ATOM 217 CD1 PHE A 17 2.276 -9.929 -10.946 1.00 0.00 C ATOM 218 CD2 PHE A 17 1.442 -7.750 -11.616 1.00 0.00 C ATOM 219 CE1 PHE A 17 2.469 -9.452 -9.648 1.00 0.00 C ATOM 220 CE2 PHE A 17 1.642 -7.277 -10.316 1.00 0.00 C ATOM 221 CZ PHE A 17 2.156 -8.128 -9.334 1.00 0.00 C ATOM 0 H PHE A 17 0.856 -11.332 -11.392 1.00 0.00 H new ATOM 0 HA PHE A 17 1.018 -11.390 -14.391 1.00 0.00 H new ATOM 0 HB2 PHE A 17 2.382 -9.238 -13.989 1.00 0.00 H new ATOM 0 HB3 PHE A 17 0.645 -9.132 -13.777 1.00 0.00 H new ATOM 0 HD1 PHE A 17 2.525 -10.952 -11.187 1.00 0.00 H new ATOM 0 HD2 PHE A 17 1.044 -7.092 -12.374 1.00 0.00 H new ATOM 0 HE1 PHE A 17 2.861 -10.108 -8.885 1.00 0.00 H new ATOM 0 HE2 PHE A 17 1.399 -6.254 -10.070 1.00 0.00 H new ATOM 0 HZ PHE A 17 2.311 -7.761 -8.330 1.00 0.00 H new ATOM 231 N ALA A 18 3.791 -11.272 -14.079 1.00 0.00 N ATOM 232 CA ALA A 18 5.170 -11.839 -14.007 1.00 0.00 C ATOM 233 C ALA A 18 6.110 -11.056 -14.938 1.00 0.00 C ATOM 234 O ALA A 18 7.113 -10.537 -14.490 1.00 0.00 O ATOM 235 CB ALA A 18 5.149 -13.320 -14.409 1.00 0.00 C ATOM 0 H ALA A 18 3.667 -10.521 -14.759 1.00 0.00 H new ATOM 0 HA ALA A 18 5.534 -11.754 -12.983 1.00 0.00 H new ATOM 0 HB1 ALA A 18 6.159 -13.726 -14.354 1.00 0.00 H new ATOM 0 HB2 ALA A 18 4.498 -13.872 -13.731 1.00 0.00 H new ATOM 0 HB3 ALA A 18 4.775 -13.415 -15.428 1.00 0.00 H new ATOM 241 N PRO A 19 5.766 -10.986 -16.210 1.00 0.00 N ATOM 242 CA PRO A 19 6.589 -10.259 -17.196 1.00 0.00 C ATOM 243 C PRO A 19 6.667 -8.774 -16.825 1.00 0.00 C ATOM 244 O PRO A 19 5.685 -8.172 -16.436 1.00 0.00 O ATOM 245 CB PRO A 19 5.862 -10.446 -18.536 1.00 0.00 C ATOM 246 CG PRO A 19 4.605 -11.313 -18.272 1.00 0.00 C ATOM 247 CD PRO A 19 4.552 -11.617 -16.766 1.00 0.00 C ATOM 0 HA PRO A 19 7.613 -10.630 -17.235 1.00 0.00 H new ATOM 0 HB2 PRO A 19 5.580 -9.481 -18.956 1.00 0.00 H new ATOM 0 HB3 PRO A 19 6.515 -10.930 -19.262 1.00 0.00 H new ATOM 0 HG2 PRO A 19 3.704 -10.786 -18.587 1.00 0.00 H new ATOM 0 HG3 PRO A 19 4.651 -12.238 -18.847 1.00 0.00 H new ATOM 0 HD2 PRO A 19 3.650 -11.207 -16.311 1.00 0.00 H new ATOM 0 HD3 PRO A 19 4.544 -12.691 -16.579 1.00 0.00 H new ATOM 255 N ALA A 20 7.831 -8.185 -16.940 1.00 0.00 N ATOM 256 CA ALA A 20 7.992 -6.739 -16.593 1.00 0.00 C ATOM 257 C ALA A 20 6.976 -5.895 -17.369 1.00 0.00 C ATOM 258 O ALA A 20 6.688 -4.769 -17.010 1.00 0.00 O ATOM 259 CB ALA A 20 9.410 -6.286 -16.951 1.00 0.00 C ATOM 0 H ALA A 20 8.682 -8.646 -17.261 1.00 0.00 H new ATOM 0 HA ALA A 20 7.821 -6.607 -15.525 1.00 0.00 H new ATOM 0 HB1 ALA A 20 9.530 -5.232 -16.699 1.00 0.00 H new ATOM 0 HB2 ALA A 20 10.133 -6.878 -16.390 1.00 0.00 H new ATOM 0 HB3 ALA A 20 9.578 -6.425 -18.019 1.00 0.00 H new ATOM 265 N GLU A 21 6.422 -6.433 -18.425 1.00 0.00 N ATOM 266 CA GLU A 21 5.418 -5.669 -19.217 1.00 0.00 C ATOM 267 C GLU A 21 4.102 -5.639 -18.440 1.00 0.00 C ATOM 268 O GLU A 21 3.334 -4.702 -18.532 1.00 0.00 O ATOM 269 CB GLU A 21 5.207 -6.362 -20.569 1.00 0.00 C ATOM 270 CG GLU A 21 4.084 -5.664 -21.349 1.00 0.00 C ATOM 271 CD GLU A 21 2.758 -6.400 -21.122 1.00 0.00 C ATOM 272 OE1 GLU A 21 2.681 -7.566 -21.476 1.00 0.00 O ATOM 273 OE2 GLU A 21 1.842 -5.785 -20.602 1.00 0.00 O ATOM 0 H GLU A 21 6.624 -7.371 -18.772 1.00 0.00 H new ATOM 0 HA GLU A 21 5.768 -4.651 -19.388 1.00 0.00 H new ATOM 0 HB2 GLU A 21 6.131 -6.338 -21.147 1.00 0.00 H new ATOM 0 HB3 GLU A 21 4.955 -7.411 -20.414 1.00 0.00 H new ATOM 0 HG2 GLU A 21 3.995 -4.627 -21.026 1.00 0.00 H new ATOM 0 HG3 GLU A 21 4.324 -5.647 -22.412 1.00 0.00 H new ATOM 280 N LYS A 22 3.845 -6.664 -17.670 1.00 0.00 N ATOM 281 CA LYS A 22 2.586 -6.712 -16.878 1.00 0.00 C ATOM 282 C LYS A 22 2.862 -6.257 -15.444 1.00 0.00 C ATOM 283 O LYS A 22 2.171 -5.412 -14.914 1.00 0.00 O ATOM 284 CB LYS A 22 2.044 -8.145 -16.868 1.00 0.00 C ATOM 285 CG LYS A 22 1.682 -8.567 -18.298 1.00 0.00 C ATOM 286 CD LYS A 22 0.162 -8.714 -18.426 1.00 0.00 C ATOM 287 CE LYS A 22 -0.197 -9.075 -19.870 1.00 0.00 C ATOM 288 NZ LYS A 22 -0.014 -7.882 -20.744 1.00 0.00 N ATOM 0 H LYS A 22 4.457 -7.472 -17.557 1.00 0.00 H new ATOM 0 HA LYS A 22 1.849 -6.048 -17.329 1.00 0.00 H new ATOM 0 HB2 LYS A 22 2.790 -8.824 -16.455 1.00 0.00 H new ATOM 0 HB3 LYS A 22 1.166 -8.208 -16.226 1.00 0.00 H new ATOM 0 HG2 LYS A 22 2.046 -7.825 -19.009 1.00 0.00 H new ATOM 0 HG3 LYS A 22 2.170 -9.510 -18.543 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -0.198 -9.487 -17.747 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -0.329 -7.784 -18.140 1.00 0.00 H new ATOM 0 HE2 LYS A 22 0.433 -9.893 -20.218 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -1.229 -9.422 -19.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -0.874 -7.730 -21.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 0.167 -7.044 -20.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 0.794 -8.038 -21.380 1.00 0.00 H new ATOM 302 N ILE A 23 3.864 -6.810 -14.809 1.00 0.00 N ATOM 303 CA ILE A 23 4.170 -6.410 -13.416 1.00 0.00 C ATOM 304 C ILE A 23 5.179 -5.260 -13.408 1.00 0.00 C ATOM 305 O ILE A 23 6.065 -5.183 -14.238 1.00 0.00 O ATOM 306 CB ILE A 23 4.763 -7.601 -12.659 1.00 0.00 C ATOM 307 CG1 ILE A 23 4.898 -7.232 -11.186 1.00 0.00 C ATOM 308 CG2 ILE A 23 6.150 -7.931 -13.215 1.00 0.00 C ATOM 309 CD1 ILE A 23 5.258 -8.475 -10.367 1.00 0.00 C ATOM 0 H ILE A 23 4.480 -7.522 -15.202 1.00 0.00 H new ATOM 0 HA ILE A 23 3.249 -6.085 -12.933 1.00 0.00 H new ATOM 0 HB ILE A 23 4.110 -8.466 -12.775 1.00 0.00 H new ATOM 0 HG12 ILE A 23 5.667 -6.469 -11.062 1.00 0.00 H new ATOM 0 HG13 ILE A 23 3.964 -6.804 -10.822 1.00 0.00 H new ATOM 0 HG21 ILE A 23 6.567 -8.779 -12.672 1.00 0.00 H new ATOM 0 HG22 ILE A 23 6.068 -8.182 -14.273 1.00 0.00 H new ATOM 0 HG23 ILE A 23 6.804 -7.067 -13.097 1.00 0.00 H new ATOM 0 HD11 ILE A 23 5.353 -8.203 -9.316 1.00 0.00 H new ATOM 0 HD12 ILE A 23 4.474 -9.224 -10.479 1.00 0.00 H new ATOM 0 HD13 ILE A 23 6.204 -8.884 -10.723 1.00 0.00 H new ATOM 321 N VAL A 24 5.053 -4.385 -12.454 1.00 0.00 N ATOM 322 CA VAL A 24 5.994 -3.238 -12.331 1.00 0.00 C ATOM 323 C VAL A 24 6.326 -3.084 -10.852 1.00 0.00 C ATOM 324 O VAL A 24 5.449 -3.113 -10.016 1.00 0.00 O ATOM 325 CB VAL A 24 5.329 -1.955 -12.841 1.00 0.00 C ATOM 326 CG1 VAL A 24 6.385 -0.857 -12.996 1.00 0.00 C ATOM 327 CG2 VAL A 24 4.663 -2.217 -14.196 1.00 0.00 C ATOM 0 H VAL A 24 4.325 -4.416 -11.741 1.00 0.00 H new ATOM 0 HA VAL A 24 6.894 -3.416 -12.920 1.00 0.00 H new ATOM 0 HB VAL A 24 4.572 -1.635 -12.124 1.00 0.00 H new ATOM 0 HG11 VAL A 24 5.911 0.055 -13.359 1.00 0.00 H new ATOM 0 HG12 VAL A 24 6.853 -0.664 -12.031 1.00 0.00 H new ATOM 0 HG13 VAL A 24 7.144 -1.180 -13.709 1.00 0.00 H new ATOM 0 HG21 VAL A 24 4.192 -1.301 -14.553 1.00 0.00 H new ATOM 0 HG22 VAL A 24 5.415 -2.542 -14.914 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.907 -2.994 -14.086 1.00 0.00 H new ATOM 337 N ASN A 25 7.576 -2.938 -10.510 1.00 0.00 N ATOM 338 CA ASN A 25 7.928 -2.802 -9.069 1.00 0.00 C ATOM 339 C ASN A 25 8.432 -1.390 -8.781 1.00 0.00 C ATOM 340 O ASN A 25 9.171 -0.805 -9.551 1.00 0.00 O ATOM 341 CB ASN A 25 9.001 -3.830 -8.703 1.00 0.00 C ATOM 342 CG ASN A 25 9.770 -3.368 -7.462 1.00 0.00 C ATOM 343 OD1 ASN A 25 10.959 -3.131 -7.523 1.00 0.00 O ATOM 344 ND2 ASN A 25 9.136 -3.228 -6.330 1.00 0.00 N ATOM 0 H ASN A 25 8.362 -2.907 -11.159 1.00 0.00 H new ATOM 0 HA ASN A 25 7.039 -2.983 -8.465 1.00 0.00 H new ATOM 0 HB2 ASN A 25 8.538 -4.799 -8.514 1.00 0.00 H new ATOM 0 HB3 ASN A 25 9.689 -3.963 -9.538 1.00 0.00 H new ATOM 0 HD21 ASN A 25 9.640 -2.920 -5.498 1.00 0.00 H new ATOM 0 HD22 ASN A 25 8.137 -3.427 -6.277 1.00 0.00 H new ATOM 351 N SER A 26 8.032 -0.849 -7.666 1.00 0.00 N ATOM 352 CA SER A 26 8.464 0.520 -7.280 1.00 0.00 C ATOM 353 C SER A 26 8.476 0.601 -5.752 1.00 0.00 C ATOM 354 O SER A 26 7.544 0.173 -5.099 1.00 0.00 O ATOM 355 CB SER A 26 7.485 1.543 -7.861 1.00 0.00 C ATOM 356 OG SER A 26 6.343 1.641 -7.022 1.00 0.00 O ATOM 0 H SER A 26 7.414 -1.306 -6.995 1.00 0.00 H new ATOM 0 HA SER A 26 9.460 0.735 -7.668 1.00 0.00 H new ATOM 0 HB2 SER A 26 7.969 2.516 -7.948 1.00 0.00 H new ATOM 0 HB3 SER A 26 7.186 1.245 -8.866 1.00 0.00 H new ATOM 0 HG SER A 26 6.098 0.749 -6.698 1.00 0.00 H new ATOM 362 N ASN A 27 9.535 1.121 -5.180 1.00 0.00 N ATOM 363 CA ASN A 27 9.632 1.211 -3.689 1.00 0.00 C ATOM 364 C ASN A 27 9.851 -0.193 -3.114 1.00 0.00 C ATOM 365 O ASN A 27 10.670 -0.400 -2.240 1.00 0.00 O ATOM 366 CB ASN A 27 8.346 1.831 -3.112 1.00 0.00 C ATOM 367 CG ASN A 27 7.555 0.795 -2.300 1.00 0.00 C ATOM 368 OD1 ASN A 27 7.995 0.355 -1.255 1.00 0.00 O ATOM 369 ND2 ASN A 27 6.396 0.389 -2.737 1.00 0.00 N ATOM 0 H ASN A 27 10.341 1.489 -5.685 1.00 0.00 H new ATOM 0 HA ASN A 27 10.473 1.848 -3.415 1.00 0.00 H new ATOM 0 HB2 ASN A 27 8.600 2.680 -2.477 1.00 0.00 H new ATOM 0 HB3 ASN A 27 7.726 2.214 -3.923 1.00 0.00 H new ATOM 0 HD21 ASN A 27 5.861 -0.296 -2.203 1.00 0.00 H new ATOM 0 HD22 ASN A 27 6.024 0.756 -3.613 1.00 0.00 H new ATOM 376 N GLY A 28 9.112 -1.148 -3.604 1.00 0.00 N ATOM 377 CA GLY A 28 9.242 -2.548 -3.108 1.00 0.00 C ATOM 378 C GLY A 28 7.948 -3.309 -3.409 1.00 0.00 C ATOM 379 O GLY A 28 7.920 -4.525 -3.409 1.00 0.00 O ATOM 0 H GLY A 28 8.414 -1.017 -4.336 1.00 0.00 H new ATOM 0 HA2 GLY A 28 10.088 -3.040 -3.588 1.00 0.00 H new ATOM 0 HA3 GLY A 28 9.439 -2.550 -2.036 1.00 0.00 H new ATOM 383 N GLU A 29 6.877 -2.600 -3.668 1.00 0.00 N ATOM 384 CA GLU A 29 5.578 -3.279 -3.967 1.00 0.00 C ATOM 385 C GLU A 29 5.487 -3.594 -5.465 1.00 0.00 C ATOM 386 O GLU A 29 6.333 -3.201 -6.245 1.00 0.00 O ATOM 387 CB GLU A 29 4.419 -2.358 -3.571 1.00 0.00 C ATOM 388 CG GLU A 29 3.886 -2.757 -2.191 1.00 0.00 C ATOM 389 CD GLU A 29 3.815 -1.521 -1.290 1.00 0.00 C ATOM 390 OE1 GLU A 29 4.864 -1.048 -0.882 1.00 0.00 O ATOM 391 OE2 GLU A 29 2.715 -1.066 -1.023 1.00 0.00 O ATOM 0 H GLU A 29 6.846 -1.581 -3.685 1.00 0.00 H new ATOM 0 HA GLU A 29 5.520 -4.208 -3.400 1.00 0.00 H new ATOM 0 HB2 GLU A 29 4.756 -1.321 -3.555 1.00 0.00 H new ATOM 0 HB3 GLU A 29 3.622 -2.423 -4.311 1.00 0.00 H new ATOM 0 HG2 GLU A 29 2.898 -3.206 -2.288 1.00 0.00 H new ATOM 0 HG3 GLU A 29 4.535 -3.509 -1.743 1.00 0.00 H new ATOM 398 N LEU A 30 4.459 -4.302 -5.867 1.00 0.00 N ATOM 399 CA LEU A 30 4.290 -4.654 -7.308 1.00 0.00 C ATOM 400 C LEU A 30 3.027 -3.973 -7.849 1.00 0.00 C ATOM 401 O LEU A 30 1.970 -4.041 -7.250 1.00 0.00 O ATOM 402 CB LEU A 30 4.127 -6.174 -7.454 1.00 0.00 C ATOM 403 CG LEU A 30 5.396 -6.909 -6.999 1.00 0.00 C ATOM 404 CD1 LEU A 30 6.630 -6.285 -7.657 1.00 0.00 C ATOM 405 CD2 LEU A 30 5.529 -6.826 -5.473 1.00 0.00 C ATOM 0 H LEU A 30 3.725 -4.653 -5.252 1.00 0.00 H new ATOM 0 HA LEU A 30 5.167 -4.321 -7.863 1.00 0.00 H new ATOM 0 HB2 LEU A 30 3.276 -6.511 -6.863 1.00 0.00 H new ATOM 0 HB3 LEU A 30 3.911 -6.422 -8.493 1.00 0.00 H new ATOM 0 HG LEU A 30 5.323 -7.955 -7.298 1.00 0.00 H new ATOM 0 HD11 LEU A 30 7.524 -6.814 -7.328 1.00 0.00 H new ATOM 0 HD12 LEU A 30 6.542 -6.361 -8.741 1.00 0.00 H new ATOM 0 HD13 LEU A 30 6.703 -5.236 -7.372 1.00 0.00 H new ATOM 0 HD21 LEU A 30 6.431 -7.350 -5.157 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.591 -5.781 -5.169 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.659 -7.288 -5.006 1.00 0.00 H new ATOM 417 N TYR A 31 3.130 -3.331 -8.982 1.00 0.00 N ATOM 418 CA TYR A 31 1.941 -2.653 -9.580 1.00 0.00 C ATOM 419 C TYR A 31 1.861 -3.007 -11.063 1.00 0.00 C ATOM 420 O TYR A 31 2.863 -3.213 -11.718 1.00 0.00 O ATOM 421 CB TYR A 31 2.062 -1.117 -9.487 1.00 0.00 C ATOM 422 CG TYR A 31 2.765 -0.654 -8.228 1.00 0.00 C ATOM 423 CD1 TYR A 31 4.087 -1.041 -7.967 1.00 0.00 C ATOM 424 CD2 TYR A 31 2.100 0.198 -7.334 1.00 0.00 C ATOM 425 CE1 TYR A 31 4.739 -0.583 -6.819 1.00 0.00 C ATOM 426 CE2 TYR A 31 2.755 0.654 -6.182 1.00 0.00 C ATOM 427 CZ TYR A 31 4.074 0.264 -5.925 1.00 0.00 C ATOM 428 OH TYR A 31 4.717 0.718 -4.795 1.00 0.00 O ATOM 0 H TYR A 31 3.991 -3.246 -9.522 1.00 0.00 H new ATOM 0 HA TYR A 31 1.059 -2.985 -9.032 1.00 0.00 H new ATOM 0 HB2 TYR A 31 2.605 -0.748 -10.357 1.00 0.00 H new ATOM 0 HB3 TYR A 31 1.066 -0.677 -9.523 1.00 0.00 H new ATOM 0 HD1 TYR A 31 4.603 -1.695 -8.655 1.00 0.00 H new ATOM 0 HD2 TYR A 31 1.083 0.503 -7.533 1.00 0.00 H new ATOM 0 HE1 TYR A 31 5.757 -0.883 -6.621 1.00 0.00 H new ATOM 0 HE2 TYR A 31 2.241 1.307 -5.492 1.00 0.00 H new ATOM 0 HH TYR A 31 5.142 1.581 -4.985 1.00 0.00 H new ATOM 438 N HIS A 32 0.678 -3.031 -11.607 1.00 0.00 N ATOM 439 CA HIS A 32 0.527 -3.312 -13.061 1.00 0.00 C ATOM 440 C HIS A 32 0.820 -2.016 -13.801 1.00 0.00 C ATOM 441 O HIS A 32 1.165 -1.017 -13.200 1.00 0.00 O ATOM 442 CB HIS A 32 -0.912 -3.729 -13.378 1.00 0.00 C ATOM 443 CG HIS A 32 -1.047 -5.220 -13.330 1.00 0.00 C ATOM 444 ND1 HIS A 32 -1.734 -5.854 -12.315 1.00 0.00 N ATOM 445 CD2 HIS A 32 -0.610 -6.214 -14.169 1.00 0.00 C ATOM 446 CE1 HIS A 32 -1.692 -7.175 -12.559 1.00 0.00 C ATOM 447 NE2 HIS A 32 -1.020 -7.449 -13.679 1.00 0.00 N ATOM 0 H HIS A 32 -0.195 -2.867 -11.105 1.00 0.00 H new ATOM 0 HA HIS A 32 1.202 -4.115 -13.357 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -1.596 -3.273 -12.662 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -1.194 -3.364 -14.366 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -0.036 -6.061 -15.071 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -2.146 -7.923 -11.926 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -0.845 -8.367 -14.088 1.00 0.00 H new ATOM 455 N GLU A 33 0.661 -2.002 -15.088 1.00 0.00 N ATOM 456 CA GLU A 33 0.909 -0.743 -15.831 1.00 0.00 C ATOM 457 C GLU A 33 -0.282 0.185 -15.604 1.00 0.00 C ATOM 458 O GLU A 33 -0.188 1.388 -15.755 1.00 0.00 O ATOM 459 CB GLU A 33 1.068 -1.036 -17.327 1.00 0.00 C ATOM 460 CG GLU A 33 1.726 -2.407 -17.515 1.00 0.00 C ATOM 461 CD GLU A 33 0.655 -3.457 -17.829 1.00 0.00 C ATOM 462 OE1 GLU A 33 0.357 -3.641 -18.998 1.00 0.00 O ATOM 463 OE2 GLU A 33 0.154 -4.060 -16.894 1.00 0.00 O ATOM 0 H GLU A 33 0.373 -2.800 -15.655 1.00 0.00 H new ATOM 0 HA GLU A 33 1.826 -0.273 -15.476 1.00 0.00 H new ATOM 0 HB2 GLU A 33 0.094 -1.018 -17.817 1.00 0.00 H new ATOM 0 HB3 GLU A 33 1.675 -0.262 -17.797 1.00 0.00 H new ATOM 0 HG2 GLU A 33 2.454 -2.363 -18.325 1.00 0.00 H new ATOM 0 HG3 GLU A 33 2.269 -2.687 -16.612 1.00 0.00 H new ATOM 470 N GLN A 34 -1.401 -0.379 -15.229 1.00 0.00 N ATOM 471 CA GLN A 34 -2.620 0.441 -14.971 1.00 0.00 C ATOM 472 C GLN A 34 -3.187 0.090 -13.591 1.00 0.00 C ATOM 473 O GLN A 34 -4.362 -0.185 -13.440 1.00 0.00 O ATOM 474 CB GLN A 34 -3.669 0.152 -16.053 1.00 0.00 C ATOM 475 CG GLN A 34 -3.136 0.589 -17.424 1.00 0.00 C ATOM 476 CD GLN A 34 -3.221 -0.581 -18.405 1.00 0.00 C ATOM 477 OE1 GLN A 34 -2.316 -1.387 -18.489 1.00 0.00 O ATOM 478 NE2 GLN A 34 -4.280 -0.711 -19.158 1.00 0.00 N ATOM 0 H GLN A 34 -1.522 -1.382 -15.090 1.00 0.00 H new ATOM 0 HA GLN A 34 -2.361 1.500 -14.995 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -3.907 -0.912 -16.067 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -4.594 0.682 -15.826 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -3.715 1.433 -17.798 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -2.103 0.926 -17.333 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -5.041 -0.035 -19.089 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -4.346 -1.488 -19.815 1.00 0.00 H new ATOM 487 N CYS A 35 -2.355 0.109 -12.581 1.00 0.00 N ATOM 488 CA CYS A 35 -2.829 -0.210 -11.198 1.00 0.00 C ATOM 489 C CYS A 35 -2.277 0.832 -10.228 1.00 0.00 C ATOM 490 O CYS A 35 -2.691 0.908 -9.088 1.00 0.00 O ATOM 491 CB CYS A 35 -2.329 -1.595 -10.780 1.00 0.00 C ATOM 492 SG CYS A 35 -3.418 -2.883 -11.442 1.00 0.00 S ATOM 0 H CYS A 35 -1.363 0.333 -12.654 1.00 0.00 H new ATOM 0 HA CYS A 35 -3.919 -0.200 -11.181 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -1.312 -1.747 -11.143 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -2.293 -1.663 -9.693 1.00 0.00 H new ATOM 497 N PHE A 36 -1.343 1.634 -10.673 1.00 0.00 N ATOM 498 CA PHE A 36 -0.758 2.677 -9.782 1.00 0.00 C ATOM 499 C PHE A 36 -1.882 3.584 -9.267 1.00 0.00 C ATOM 500 O PHE A 36 -2.251 4.548 -9.912 1.00 0.00 O ATOM 501 CB PHE A 36 0.248 3.516 -10.570 1.00 0.00 C ATOM 502 CG PHE A 36 1.561 2.784 -10.669 1.00 0.00 C ATOM 503 CD1 PHE A 36 1.688 1.688 -11.524 1.00 0.00 C ATOM 504 CD2 PHE A 36 2.653 3.209 -9.911 1.00 0.00 C ATOM 505 CE1 PHE A 36 2.910 1.015 -11.620 1.00 0.00 C ATOM 506 CE2 PHE A 36 3.876 2.537 -10.002 1.00 0.00 C ATOM 507 CZ PHE A 36 4.005 1.439 -10.857 1.00 0.00 C ATOM 0 H PHE A 36 -0.960 1.610 -11.618 1.00 0.00 H new ATOM 0 HA PHE A 36 -0.253 2.200 -8.942 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -0.140 3.722 -11.568 1.00 0.00 H new ATOM 0 HB3 PHE A 36 0.395 4.479 -10.080 1.00 0.00 H new ATOM 0 HD1 PHE A 36 0.843 1.360 -12.111 1.00 0.00 H new ATOM 0 HD2 PHE A 36 2.553 4.059 -9.252 1.00 0.00 H new ATOM 0 HE1 PHE A 36 3.009 0.168 -12.283 1.00 0.00 H new ATOM 0 HE2 PHE A 36 4.719 2.866 -9.413 1.00 0.00 H new ATOM 0 HZ PHE A 36 4.948 0.918 -10.929 1.00 0.00 H new ATOM 517 N VAL A 37 -2.437 3.272 -8.119 1.00 0.00 N ATOM 518 CA VAL A 37 -3.554 4.102 -7.565 1.00 0.00 C ATOM 519 C VAL A 37 -3.030 5.116 -6.554 1.00 0.00 C ATOM 520 O VAL A 37 -1.956 4.979 -6.003 1.00 0.00 O ATOM 521 CB VAL A 37 -4.589 3.213 -6.860 1.00 0.00 C ATOM 522 CG1 VAL A 37 -5.720 2.863 -7.825 1.00 0.00 C ATOM 523 CG2 VAL A 37 -3.936 1.920 -6.374 1.00 0.00 C ATOM 0 H VAL A 37 -2.164 2.477 -7.541 1.00 0.00 H new ATOM 0 HA VAL A 37 -4.017 4.623 -8.403 1.00 0.00 H new ATOM 0 HB VAL A 37 -4.988 3.761 -6.006 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -6.450 2.232 -7.317 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -6.205 3.778 -8.164 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -5.313 2.328 -8.683 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -4.682 1.300 -5.876 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -3.524 1.378 -7.225 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -3.136 2.158 -5.673 1.00 0.00 H new ATOM 533 N CYS A 38 -3.812 6.127 -6.303 1.00 0.00 N ATOM 534 CA CYS A 38 -3.424 7.175 -5.321 1.00 0.00 C ATOM 535 C CYS A 38 -3.874 6.734 -3.927 1.00 0.00 C ATOM 536 O CYS A 38 -5.023 6.406 -3.713 1.00 0.00 O ATOM 537 CB CYS A 38 -4.131 8.479 -5.693 1.00 0.00 C ATOM 538 SG CYS A 38 -3.483 9.854 -4.708 1.00 0.00 S ATOM 0 H CYS A 38 -4.720 6.273 -6.745 1.00 0.00 H new ATOM 0 HA CYS A 38 -2.344 7.324 -5.329 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -3.991 8.686 -6.754 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -5.204 8.378 -5.527 1.00 0.00 H new ATOM 543 N ALA A 39 -2.979 6.719 -2.979 1.00 0.00 N ATOM 544 CA ALA A 39 -3.351 6.297 -1.594 1.00 0.00 C ATOM 545 C ALA A 39 -4.530 7.139 -1.082 1.00 0.00 C ATOM 546 O ALA A 39 -5.086 6.863 -0.037 1.00 0.00 O ATOM 547 CB ALA A 39 -2.148 6.491 -0.663 1.00 0.00 C ATOM 0 H ALA A 39 -2.001 6.981 -3.102 1.00 0.00 H new ATOM 0 HA ALA A 39 -3.643 5.247 -1.609 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -2.417 6.184 0.348 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -1.313 5.886 -1.016 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -1.858 7.542 -0.658 1.00 0.00 H new ATOM 553 N GLN A 40 -4.911 8.162 -1.807 1.00 0.00 N ATOM 554 CA GLN A 40 -6.047 9.022 -1.358 1.00 0.00 C ATOM 555 C GLN A 40 -7.221 8.900 -2.338 1.00 0.00 C ATOM 556 O GLN A 40 -8.269 8.391 -1.993 1.00 0.00 O ATOM 557 CB GLN A 40 -5.579 10.478 -1.285 1.00 0.00 C ATOM 558 CG GLN A 40 -4.242 10.543 -0.537 1.00 0.00 C ATOM 559 CD GLN A 40 -4.275 11.673 0.495 1.00 0.00 C ATOM 560 OE1 GLN A 40 -5.213 11.793 1.258 1.00 0.00 O ATOM 561 NE2 GLN A 40 -3.278 12.509 0.553 1.00 0.00 N ATOM 0 H GLN A 40 -4.483 8.438 -2.691 1.00 0.00 H new ATOM 0 HA GLN A 40 -6.379 8.695 -0.373 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -5.467 10.887 -2.289 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -6.325 11.087 -0.774 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -4.046 9.592 -0.041 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -3.428 10.708 -1.243 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -2.490 12.409 -0.087 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -3.285 13.264 1.239 1.00 0.00 H new ATOM 570 N CYS A 41 -7.061 9.360 -3.556 1.00 0.00 N ATOM 571 CA CYS A 41 -8.184 9.259 -4.542 1.00 0.00 C ATOM 572 C CYS A 41 -8.306 7.813 -5.034 1.00 0.00 C ATOM 573 O CYS A 41 -9.258 7.453 -5.699 1.00 0.00 O ATOM 574 CB CYS A 41 -7.930 10.202 -5.727 1.00 0.00 C ATOM 575 SG CYS A 41 -6.557 9.588 -6.738 1.00 0.00 S ATOM 0 H CYS A 41 -6.209 9.797 -3.908 1.00 0.00 H new ATOM 0 HA CYS A 41 -9.116 9.551 -4.058 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -8.831 10.283 -6.336 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -7.702 11.203 -5.361 1.00 0.00 H new ATOM 580 N PHE A 42 -7.350 6.984 -4.698 1.00 0.00 N ATOM 581 CA PHE A 42 -7.386 5.548 -5.121 1.00 0.00 C ATOM 582 C PHE A 42 -7.634 5.438 -6.626 1.00 0.00 C ATOM 583 O PHE A 42 -8.122 4.434 -7.110 1.00 0.00 O ATOM 584 CB PHE A 42 -8.492 4.811 -4.363 1.00 0.00 C ATOM 585 CG PHE A 42 -8.237 4.909 -2.876 1.00 0.00 C ATOM 586 CD1 PHE A 42 -7.077 4.348 -2.324 1.00 0.00 C ATOM 587 CD2 PHE A 42 -9.159 5.561 -2.048 1.00 0.00 C ATOM 588 CE1 PHE A 42 -6.841 4.441 -0.948 1.00 0.00 C ATOM 589 CE2 PHE A 42 -8.923 5.653 -0.672 1.00 0.00 C ATOM 590 CZ PHE A 42 -7.763 5.093 -0.121 1.00 0.00 C ATOM 0 H PHE A 42 -6.535 7.243 -4.142 1.00 0.00 H new ATOM 0 HA PHE A 42 -6.422 5.094 -4.890 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -9.463 5.243 -4.605 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -8.523 3.765 -4.669 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -6.365 3.844 -2.961 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -10.053 5.993 -2.472 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -5.947 4.009 -0.524 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -9.635 6.156 -0.034 1.00 0.00 H new ATOM 0 HZ PHE A 42 -7.580 5.164 0.941 1.00 0.00 H new ATOM 600 N GLN A 43 -7.286 6.449 -7.372 1.00 0.00 N ATOM 601 CA GLN A 43 -7.483 6.390 -8.846 1.00 0.00 C ATOM 602 C GLN A 43 -6.210 5.824 -9.472 1.00 0.00 C ATOM 603 O GLN A 43 -5.131 6.348 -9.265 1.00 0.00 O ATOM 604 CB GLN A 43 -7.747 7.800 -9.387 1.00 0.00 C ATOM 605 CG GLN A 43 -8.026 7.736 -10.894 1.00 0.00 C ATOM 606 CD GLN A 43 -9.318 6.955 -11.147 1.00 0.00 C ATOM 607 OE1 GLN A 43 -9.284 5.768 -11.403 1.00 0.00 O ATOM 608 NE2 GLN A 43 -10.463 7.576 -11.085 1.00 0.00 N ATOM 0 H GLN A 43 -6.873 7.314 -7.024 1.00 0.00 H new ATOM 0 HA GLN A 43 -8.336 5.757 -9.091 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -8.597 8.245 -8.869 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -6.886 8.440 -9.194 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -8.113 8.744 -11.301 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -7.193 7.256 -11.408 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -10.492 8.573 -10.870 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -11.330 7.065 -11.251 1.00 0.00 H new ATOM 617 N GLN A 44 -6.316 4.748 -10.215 1.00 0.00 N ATOM 618 CA GLN A 44 -5.101 4.156 -10.829 1.00 0.00 C ATOM 619 C GLN A 44 -4.672 4.994 -12.025 1.00 0.00 C ATOM 620 O GLN A 44 -5.359 5.907 -12.440 1.00 0.00 O ATOM 621 CB GLN A 44 -5.374 2.713 -11.263 1.00 0.00 C ATOM 622 CG GLN A 44 -6.025 2.676 -12.654 1.00 0.00 C ATOM 623 CD GLN A 44 -7.343 3.456 -12.631 1.00 0.00 C ATOM 624 OE1 GLN A 44 -8.288 3.091 -11.809 1.00 0.00 O flip ATOM 625 NE2 GLN A 44 -7.515 4.405 -13.369 1.00 0.00 N flip ATOM 0 H GLN A 44 -7.189 4.261 -10.418 1.00 0.00 H new ATOM 0 HA GLN A 44 -4.298 4.148 -10.092 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -4.441 2.150 -11.278 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -6.027 2.228 -10.538 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -5.350 3.107 -13.393 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -6.208 1.644 -12.953 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -6.777 4.691 -14.012 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -8.398 4.916 -13.346 1.00 0.00 H new ATOM 634 N PHE A 45 -3.535 4.690 -12.573 1.00 0.00 N ATOM 635 CA PHE A 45 -3.038 5.470 -13.741 1.00 0.00 C ATOM 636 C PHE A 45 -2.166 4.582 -14.639 1.00 0.00 C ATOM 637 O PHE A 45 -1.413 3.761 -14.148 1.00 0.00 O ATOM 638 CB PHE A 45 -2.220 6.658 -13.227 1.00 0.00 C ATOM 639 CG PHE A 45 -3.164 7.714 -12.705 1.00 0.00 C ATOM 640 CD1 PHE A 45 -3.845 8.542 -13.602 1.00 0.00 C ATOM 641 CD2 PHE A 45 -3.368 7.857 -11.328 1.00 0.00 C ATOM 642 CE1 PHE A 45 -4.728 9.517 -13.125 1.00 0.00 C ATOM 643 CE2 PHE A 45 -4.251 8.832 -10.849 1.00 0.00 C ATOM 644 CZ PHE A 45 -4.932 9.662 -11.747 1.00 0.00 C ATOM 0 H PHE A 45 -2.924 3.934 -12.264 1.00 0.00 H new ATOM 0 HA PHE A 45 -3.883 5.829 -14.329 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -1.542 6.335 -12.437 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -1.604 7.066 -14.028 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -3.689 8.429 -14.665 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -2.844 7.215 -10.635 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -5.252 10.157 -13.819 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -4.407 8.944 -9.786 1.00 0.00 H new ATOM 0 HZ PHE A 45 -5.614 10.413 -11.378 1.00 0.00 H new ATOM 654 N PRO A 46 -2.295 4.777 -15.935 1.00 0.00 N ATOM 655 CA PRO A 46 -1.527 4.008 -16.934 1.00 0.00 C ATOM 656 C PRO A 46 -0.028 4.312 -16.809 1.00 0.00 C ATOM 657 O PRO A 46 0.431 4.805 -15.797 1.00 0.00 O ATOM 658 CB PRO A 46 -2.060 4.484 -18.292 1.00 0.00 C ATOM 659 CG PRO A 46 -3.077 5.624 -18.027 1.00 0.00 C ATOM 660 CD PRO A 46 -3.221 5.775 -16.505 1.00 0.00 C ATOM 0 HA PRO A 46 -1.641 2.932 -16.801 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -1.243 4.839 -18.920 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -2.538 3.662 -18.825 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -2.731 6.557 -18.473 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -4.040 5.391 -18.481 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -2.963 6.783 -16.182 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -4.246 5.591 -16.185 1.00 0.00 H new ATOM 668 N GLU A 47 0.733 4.016 -17.836 1.00 0.00 N ATOM 669 CA GLU A 47 2.207 4.276 -17.802 1.00 0.00 C ATOM 670 C GLU A 47 2.887 3.257 -16.883 1.00 0.00 C ATOM 671 O GLU A 47 3.936 2.728 -17.197 1.00 0.00 O ATOM 672 CB GLU A 47 2.480 5.697 -17.289 1.00 0.00 C ATOM 673 CG GLU A 47 3.797 6.214 -17.878 1.00 0.00 C ATOM 674 CD GLU A 47 3.551 6.757 -19.288 1.00 0.00 C ATOM 675 OE1 GLU A 47 3.160 7.909 -19.399 1.00 0.00 O ATOM 676 OE2 GLU A 47 3.756 6.014 -20.233 1.00 0.00 O ATOM 0 H GLU A 47 0.392 3.602 -18.704 1.00 0.00 H new ATOM 0 HA GLU A 47 2.608 4.180 -18.811 1.00 0.00 H new ATOM 0 HB2 GLU A 47 1.660 6.359 -17.569 1.00 0.00 H new ATOM 0 HB3 GLU A 47 2.532 5.697 -16.200 1.00 0.00 H new ATOM 0 HG2 GLU A 47 4.208 6.998 -17.242 1.00 0.00 H new ATOM 0 HG3 GLU A 47 4.533 5.411 -17.910 1.00 0.00 H new ATOM 683 N GLY A 48 2.296 2.978 -15.751 1.00 0.00 N ATOM 684 CA GLY A 48 2.902 1.995 -14.809 1.00 0.00 C ATOM 685 C GLY A 48 3.925 2.698 -13.918 1.00 0.00 C ATOM 686 O GLY A 48 4.869 2.092 -13.451 1.00 0.00 O ATOM 0 H GLY A 48 1.417 3.391 -15.439 1.00 0.00 H new ATOM 0 HA2 GLY A 48 2.125 1.538 -14.196 1.00 0.00 H new ATOM 0 HA3 GLY A 48 3.383 1.191 -15.367 1.00 0.00 H new ATOM 690 N LEU A 49 3.744 3.973 -13.675 1.00 0.00 N ATOM 691 CA LEU A 49 4.707 4.717 -12.808 1.00 0.00 C ATOM 692 C LEU A 49 4.244 6.165 -12.642 1.00 0.00 C ATOM 693 O LEU A 49 4.050 6.881 -13.606 1.00 0.00 O ATOM 694 CB LEU A 49 6.100 4.711 -13.454 1.00 0.00 C ATOM 695 CG LEU A 49 7.147 5.171 -12.430 1.00 0.00 C ATOM 696 CD1 LEU A 49 8.493 4.514 -12.745 1.00 0.00 C ATOM 697 CD2 LEU A 49 7.297 6.696 -12.496 1.00 0.00 C ATOM 0 H LEU A 49 2.971 4.530 -14.040 1.00 0.00 H new ATOM 0 HA LEU A 49 4.751 4.231 -11.833 1.00 0.00 H new ATOM 0 HB2 LEU A 49 6.342 3.710 -13.811 1.00 0.00 H new ATOM 0 HB3 LEU A 49 6.112 5.370 -14.322 1.00 0.00 H new ATOM 0 HG LEU A 49 6.825 4.881 -11.430 1.00 0.00 H new ATOM 0 HD11 LEU A 49 9.236 4.841 -12.018 1.00 0.00 H new ATOM 0 HD12 LEU A 49 8.389 3.430 -12.696 1.00 0.00 H new ATOM 0 HD13 LEU A 49 8.813 4.803 -13.746 1.00 0.00 H new ATOM 0 HD21 LEU A 49 8.041 7.020 -11.768 1.00 0.00 H new ATOM 0 HD22 LEU A 49 7.617 6.987 -13.496 1.00 0.00 H new ATOM 0 HD23 LEU A 49 6.340 7.166 -12.270 1.00 0.00 H new ATOM 709 N PHE A 50 4.090 6.608 -11.421 1.00 0.00 N ATOM 710 CA PHE A 50 3.670 8.019 -11.179 1.00 0.00 C ATOM 711 C PHE A 50 4.348 8.528 -9.902 1.00 0.00 C ATOM 712 O PHE A 50 5.529 8.319 -9.705 1.00 0.00 O ATOM 713 CB PHE A 50 2.133 8.114 -11.083 1.00 0.00 C ATOM 714 CG PHE A 50 1.565 7.329 -9.908 1.00 0.00 C ATOM 715 CD1 PHE A 50 2.390 6.619 -9.021 1.00 0.00 C ATOM 716 CD2 PHE A 50 0.177 7.328 -9.709 1.00 0.00 C ATOM 717 CE1 PHE A 50 1.824 5.920 -7.946 1.00 0.00 C ATOM 718 CE2 PHE A 50 -0.383 6.627 -8.638 1.00 0.00 C ATOM 719 CZ PHE A 50 0.442 5.924 -7.757 1.00 0.00 C ATOM 0 H PHE A 50 4.238 6.051 -10.579 1.00 0.00 H new ATOM 0 HA PHE A 50 3.980 8.648 -12.014 1.00 0.00 H new ATOM 0 HB2 PHE A 50 1.844 9.161 -10.989 1.00 0.00 H new ATOM 0 HB3 PHE A 50 1.692 7.744 -12.009 1.00 0.00 H new ATOM 0 HD1 PHE A 50 3.460 6.611 -9.167 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -0.463 7.872 -10.388 1.00 0.00 H new ATOM 0 HE1 PHE A 50 2.460 5.377 -7.262 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -1.453 6.629 -8.491 1.00 0.00 H new ATOM 0 HZ PHE A 50 0.009 5.383 -6.928 1.00 0.00 H new ATOM 729 N TYR A 51 3.629 9.184 -9.029 1.00 0.00 N ATOM 730 CA TYR A 51 4.268 9.683 -7.777 1.00 0.00 C ATOM 731 C TYR A 51 4.149 8.614 -6.684 1.00 0.00 C ATOM 732 O TYR A 51 3.608 8.845 -5.619 1.00 0.00 O ATOM 733 CB TYR A 51 3.590 10.985 -7.337 1.00 0.00 C ATOM 734 CG TYR A 51 4.533 12.136 -7.588 1.00 0.00 C ATOM 735 CD1 TYR A 51 5.721 12.231 -6.855 1.00 0.00 C ATOM 736 CD2 TYR A 51 4.226 13.101 -8.554 1.00 0.00 C ATOM 737 CE1 TYR A 51 6.604 13.290 -7.086 1.00 0.00 C ATOM 738 CE2 TYR A 51 5.109 14.164 -8.785 1.00 0.00 C ATOM 739 CZ TYR A 51 6.298 14.258 -8.050 1.00 0.00 C ATOM 740 OH TYR A 51 7.169 15.305 -8.278 1.00 0.00 O ATOM 0 H TYR A 51 2.636 9.394 -9.128 1.00 0.00 H new ATOM 0 HA TYR A 51 5.324 9.886 -7.956 1.00 0.00 H new ATOM 0 HB2 TYR A 51 2.661 11.131 -7.888 1.00 0.00 H new ATOM 0 HB3 TYR A 51 3.329 10.935 -6.280 1.00 0.00 H new ATOM 0 HD1 TYR A 51 5.956 11.485 -6.110 1.00 0.00 H new ATOM 0 HD2 TYR A 51 3.310 13.026 -9.121 1.00 0.00 H new ATOM 0 HE1 TYR A 51 7.522 13.361 -6.521 1.00 0.00 H new ATOM 0 HE2 TYR A 51 4.873 14.910 -9.529 1.00 0.00 H new ATOM 0 HH TYR A 51 6.806 15.886 -8.979 1.00 0.00 H new ATOM 750 N GLU A 52 4.656 7.438 -6.950 1.00 0.00 N ATOM 751 CA GLU A 52 4.586 6.339 -5.945 1.00 0.00 C ATOM 752 C GLU A 52 5.680 6.537 -4.887 1.00 0.00 C ATOM 753 O GLU A 52 6.589 7.324 -5.064 1.00 0.00 O ATOM 754 CB GLU A 52 4.779 4.992 -6.662 1.00 0.00 C ATOM 755 CG GLU A 52 6.274 4.670 -6.799 1.00 0.00 C ATOM 756 CD GLU A 52 6.786 3.986 -5.525 1.00 0.00 C ATOM 757 OE1 GLU A 52 6.017 3.267 -4.905 1.00 0.00 O ATOM 758 OE2 GLU A 52 7.940 4.195 -5.192 1.00 0.00 O ATOM 0 H GLU A 52 5.118 7.192 -7.826 1.00 0.00 H new ATOM 0 HA GLU A 52 3.615 6.350 -5.450 1.00 0.00 H new ATOM 0 HB2 GLU A 52 4.279 4.200 -6.104 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.316 5.028 -7.648 1.00 0.00 H new ATOM 0 HG2 GLU A 52 6.437 4.021 -7.660 1.00 0.00 H new ATOM 0 HG3 GLU A 52 6.836 5.586 -6.980 1.00 0.00 H new ATOM 765 N PHE A 53 5.601 5.825 -3.790 1.00 0.00 N ATOM 766 CA PHE A 53 6.639 5.971 -2.725 1.00 0.00 C ATOM 767 C PHE A 53 6.679 4.705 -1.860 1.00 0.00 C ATOM 768 O PHE A 53 5.842 3.832 -1.978 1.00 0.00 O ATOM 769 CB PHE A 53 6.303 7.187 -1.849 1.00 0.00 C ATOM 770 CG PHE A 53 7.463 8.158 -1.859 1.00 0.00 C ATOM 771 CD1 PHE A 53 8.506 8.011 -0.936 1.00 0.00 C ATOM 772 CD2 PHE A 53 7.495 9.207 -2.790 1.00 0.00 C ATOM 773 CE1 PHE A 53 9.579 8.910 -0.942 1.00 0.00 C ATOM 774 CE2 PHE A 53 8.570 10.105 -2.795 1.00 0.00 C ATOM 775 CZ PHE A 53 9.611 9.956 -1.872 1.00 0.00 C ATOM 0 H PHE A 53 4.864 5.150 -3.587 1.00 0.00 H new ATOM 0 HA PHE A 53 7.615 6.115 -3.189 1.00 0.00 H new ATOM 0 HB2 PHE A 53 5.403 7.677 -2.220 1.00 0.00 H new ATOM 0 HB3 PHE A 53 6.094 6.866 -0.829 1.00 0.00 H new ATOM 0 HD1 PHE A 53 8.482 7.204 -0.219 1.00 0.00 H new ATOM 0 HD2 PHE A 53 6.691 9.322 -3.502 1.00 0.00 H new ATOM 0 HE1 PHE A 53 10.382 8.797 -0.229 1.00 0.00 H new ATOM 0 HE2 PHE A 53 8.595 10.913 -3.512 1.00 0.00 H new ATOM 0 HZ PHE A 53 10.440 10.648 -1.877 1.00 0.00 H new ATOM 785 N GLU A 54 7.656 4.603 -0.995 1.00 0.00 N ATOM 786 CA GLU A 54 7.770 3.398 -0.119 1.00 0.00 C ATOM 787 C GLU A 54 6.641 3.392 0.912 1.00 0.00 C ATOM 788 O GLU A 54 6.555 4.259 1.758 1.00 0.00 O ATOM 789 CB GLU A 54 9.125 3.411 0.600 1.00 0.00 C ATOM 790 CG GLU A 54 9.397 4.806 1.179 1.00 0.00 C ATOM 791 CD GLU A 54 9.734 4.687 2.668 1.00 0.00 C ATOM 792 OE1 GLU A 54 10.898 4.504 2.979 1.00 0.00 O ATOM 793 OE2 GLU A 54 8.821 4.782 3.472 1.00 0.00 O ATOM 0 H GLU A 54 8.383 5.306 -0.857 1.00 0.00 H new ATOM 0 HA GLU A 54 7.694 2.502 -0.734 1.00 0.00 H new ATOM 0 HB2 GLU A 54 9.130 2.669 1.399 1.00 0.00 H new ATOM 0 HB3 GLU A 54 9.918 3.136 -0.095 1.00 0.00 H new ATOM 0 HG2 GLU A 54 10.222 5.278 0.646 1.00 0.00 H new ATOM 0 HG3 GLU A 54 8.524 5.444 1.043 1.00 0.00 H new ATOM 800 N GLY A 55 5.773 2.418 0.846 1.00 0.00 N ATOM 801 CA GLY A 55 4.646 2.347 1.821 1.00 0.00 C ATOM 802 C GLY A 55 3.576 3.377 1.451 1.00 0.00 C ATOM 803 O GLY A 55 2.510 3.410 2.035 1.00 0.00 O ATOM 0 H GLY A 55 5.796 1.666 0.157 1.00 0.00 H new ATOM 0 HA2 GLY A 55 4.216 1.346 1.821 1.00 0.00 H new ATOM 0 HA3 GLY A 55 5.013 2.536 2.830 1.00 0.00 H new ATOM 807 N ARG A 56 3.851 4.218 0.487 1.00 0.00 N ATOM 808 CA ARG A 56 2.849 5.247 0.076 1.00 0.00 C ATOM 809 C ARG A 56 2.641 5.176 -1.439 1.00 0.00 C ATOM 810 O ARG A 56 3.300 4.429 -2.135 1.00 0.00 O ATOM 811 CB ARG A 56 3.343 6.651 0.450 1.00 0.00 C ATOM 812 CG ARG A 56 4.250 6.584 1.684 1.00 0.00 C ATOM 813 CD ARG A 56 4.609 8.006 2.133 1.00 0.00 C ATOM 814 NE ARG A 56 6.099 8.176 2.156 1.00 0.00 N ATOM 815 CZ ARG A 56 6.878 7.289 2.725 1.00 0.00 C ATOM 816 NH1 ARG A 56 6.372 6.286 3.387 1.00 0.00 N ATOM 817 NH2 ARG A 56 8.172 7.429 2.655 1.00 0.00 N ATOM 0 H ARG A 56 4.728 4.236 -0.034 1.00 0.00 H new ATOM 0 HA ARG A 56 1.909 5.050 0.592 1.00 0.00 H new ATOM 0 HB2 ARG A 56 3.888 7.087 -0.387 1.00 0.00 H new ATOM 0 HB3 ARG A 56 2.492 7.302 0.650 1.00 0.00 H new ATOM 0 HG2 ARG A 56 3.745 6.053 2.491 1.00 0.00 H new ATOM 0 HG3 ARG A 56 5.156 6.025 1.452 1.00 0.00 H new ATOM 0 HD2 ARG A 56 4.162 8.734 1.456 1.00 0.00 H new ATOM 0 HD3 ARG A 56 4.197 8.198 3.124 1.00 0.00 H new ATOM 0 HE ARG A 56 6.515 8.999 1.720 1.00 0.00 H new ATOM 0 HH11 ARG A 56 5.360 6.186 3.466 1.00 0.00 H new ATOM 0 HH12 ARG A 56 6.988 5.602 3.826 1.00 0.00 H new ATOM 0 HH21 ARG A 56 8.573 8.225 2.160 1.00 0.00 H new ATOM 0 HH22 ARG A 56 8.784 6.742 3.096 1.00 0.00 H new ATOM 831 N LYS A 57 1.726 5.953 -1.950 1.00 0.00 N ATOM 832 CA LYS A 57 1.463 5.943 -3.418 1.00 0.00 C ATOM 833 C LYS A 57 0.618 7.165 -3.778 1.00 0.00 C ATOM 834 O LYS A 57 -0.433 7.389 -3.210 1.00 0.00 O ATOM 835 CB LYS A 57 0.711 4.663 -3.801 1.00 0.00 C ATOM 836 CG LYS A 57 -0.420 4.406 -2.799 1.00 0.00 C ATOM 837 CD LYS A 57 -0.872 2.947 -2.892 1.00 0.00 C ATOM 838 CE LYS A 57 -2.058 2.828 -3.853 1.00 0.00 C ATOM 839 NZ LYS A 57 -3.133 2.015 -3.216 1.00 0.00 N ATOM 0 H LYS A 57 1.146 6.597 -1.412 1.00 0.00 H new ATOM 0 HA LYS A 57 2.407 5.974 -3.962 1.00 0.00 H new ATOM 0 HB2 LYS A 57 0.303 4.757 -4.807 1.00 0.00 H new ATOM 0 HB3 LYS A 57 1.398 3.817 -3.813 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.080 4.627 -1.787 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -1.259 5.070 -3.005 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -0.048 2.324 -3.239 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -1.155 2.581 -1.905 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -2.437 3.819 -4.105 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -1.739 2.362 -4.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -4.013 2.114 -3.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -2.847 1.015 -3.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -3.290 2.348 -2.243 1.00 0.00 H new ATOM 853 N TYR A 58 1.072 7.961 -4.707 1.00 0.00 N ATOM 854 CA TYR A 58 0.296 9.175 -5.090 1.00 0.00 C ATOM 855 C TYR A 58 0.414 9.420 -6.590 1.00 0.00 C ATOM 856 O TYR A 58 1.408 9.098 -7.211 1.00 0.00 O ATOM 857 CB TYR A 58 0.855 10.394 -4.347 1.00 0.00 C ATOM 858 CG TYR A 58 0.745 10.173 -2.857 1.00 0.00 C ATOM 859 CD1 TYR A 58 -0.487 10.329 -2.206 1.00 0.00 C ATOM 860 CD2 TYR A 58 1.882 9.808 -2.126 1.00 0.00 C ATOM 861 CE1 TYR A 58 -0.577 10.121 -0.825 1.00 0.00 C ATOM 862 CE2 TYR A 58 1.790 9.599 -0.747 1.00 0.00 C ATOM 863 CZ TYR A 58 0.561 9.756 -0.096 1.00 0.00 C ATOM 864 OH TYR A 58 0.470 9.550 1.266 1.00 0.00 O ATOM 0 H TYR A 58 1.945 7.824 -5.217 1.00 0.00 H new ATOM 0 HA TYR A 58 -0.750 9.021 -4.826 1.00 0.00 H new ATOM 0 HB2 TYR A 58 1.896 10.556 -4.625 1.00 0.00 H new ATOM 0 HB3 TYR A 58 0.305 11.291 -4.633 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -1.365 10.609 -2.769 1.00 0.00 H new ATOM 0 HD2 TYR A 58 2.831 9.688 -2.628 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -1.525 10.242 -0.321 1.00 0.00 H new ATOM 0 HE2 TYR A 58 2.667 9.316 -0.184 1.00 0.00 H new ATOM 0 HH TYR A 58 1.350 9.301 1.619 1.00 0.00 H new ATOM 874 N CYS A 59 -0.589 10.014 -7.167 1.00 0.00 N ATOM 875 CA CYS A 59 -0.545 10.325 -8.618 1.00 0.00 C ATOM 876 C CYS A 59 -0.277 11.818 -8.763 1.00 0.00 C ATOM 877 O CYS A 59 -0.080 12.513 -7.782 1.00 0.00 O ATOM 878 CB CYS A 59 -1.888 9.973 -9.262 1.00 0.00 C ATOM 879 SG CYS A 59 -3.236 10.671 -8.274 1.00 0.00 S ATOM 0 H CYS A 59 -1.445 10.300 -6.691 1.00 0.00 H new ATOM 0 HA CYS A 59 0.237 9.747 -9.111 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -1.929 10.363 -10.279 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -1.997 8.891 -9.332 1.00 0.00 H new ATOM 884 N GLU A 60 -0.271 12.330 -9.961 1.00 0.00 N ATOM 885 CA GLU A 60 -0.020 13.788 -10.128 1.00 0.00 C ATOM 886 C GLU A 60 -1.125 14.569 -9.409 1.00 0.00 C ATOM 887 O GLU A 60 -1.010 15.754 -9.191 1.00 0.00 O ATOM 888 CB GLU A 60 -0.015 14.147 -11.617 1.00 0.00 C ATOM 889 CG GLU A 60 0.485 15.587 -11.801 1.00 0.00 C ATOM 890 CD GLU A 60 1.834 15.763 -11.095 1.00 0.00 C ATOM 891 OE1 GLU A 60 2.796 15.155 -11.535 1.00 0.00 O ATOM 892 OE2 GLU A 60 1.881 16.502 -10.125 1.00 0.00 O ATOM 0 H GLU A 60 -0.427 11.809 -10.824 1.00 0.00 H new ATOM 0 HA GLU A 60 0.949 14.045 -9.701 1.00 0.00 H new ATOM 0 HB2 GLU A 60 0.626 13.457 -12.165 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -1.019 14.045 -12.029 1.00 0.00 H new ATOM 0 HG2 GLU A 60 0.588 15.813 -12.862 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -0.243 16.289 -11.394 1.00 0.00 H new ATOM 899 N HIS A 61 -2.194 13.906 -9.039 1.00 0.00 N ATOM 900 CA HIS A 61 -3.311 14.606 -8.337 1.00 0.00 C ATOM 901 C HIS A 61 -2.898 14.941 -6.898 1.00 0.00 C ATOM 902 O HIS A 61 -2.718 16.090 -6.546 1.00 0.00 O ATOM 903 CB HIS A 61 -4.561 13.698 -8.329 1.00 0.00 C ATOM 904 CG HIS A 61 -5.251 13.765 -6.985 1.00 0.00 C ATOM 905 ND1 HIS A 61 -5.325 12.676 -6.119 1.00 0.00 N ATOM 906 CD2 HIS A 61 -5.881 14.798 -6.335 1.00 0.00 C ATOM 907 CE1 HIS A 61 -5.972 13.084 -5.012 1.00 0.00 C ATOM 908 NE2 HIS A 61 -6.333 14.367 -5.093 1.00 0.00 N ATOM 0 H HIS A 61 -2.340 12.908 -9.194 1.00 0.00 H new ATOM 0 HA HIS A 61 -3.541 15.534 -8.861 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -5.250 14.009 -9.115 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -4.273 12.669 -8.546 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -6.006 15.795 -6.730 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -6.175 12.451 -4.161 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -6.834 14.914 -4.393 1.00 0.00 H new ATOM 916 N ASP A 62 -2.769 13.949 -6.064 1.00 0.00 N ATOM 917 CA ASP A 62 -2.392 14.208 -4.649 1.00 0.00 C ATOM 918 C ASP A 62 -1.106 15.019 -4.593 1.00 0.00 C ATOM 919 O ASP A 62 -0.940 15.881 -3.753 1.00 0.00 O ATOM 920 CB ASP A 62 -2.171 12.880 -3.933 1.00 0.00 C ATOM 921 CG ASP A 62 -2.737 12.970 -2.519 1.00 0.00 C ATOM 922 OD1 ASP A 62 -3.949 12.924 -2.382 1.00 0.00 O ATOM 923 OD2 ASP A 62 -1.948 13.092 -1.597 1.00 0.00 O ATOM 0 H ASP A 62 -2.909 12.967 -6.302 1.00 0.00 H new ATOM 0 HA ASP A 62 -3.194 14.765 -4.165 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -2.657 12.073 -4.481 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -1.107 12.646 -3.897 1.00 0.00 H new ATOM 928 N PHE A 63 -0.192 14.744 -5.477 1.00 0.00 N ATOM 929 CA PHE A 63 1.093 15.483 -5.469 1.00 0.00 C ATOM 930 C PHE A 63 0.873 16.925 -5.938 1.00 0.00 C ATOM 931 O PHE A 63 1.452 17.845 -5.394 1.00 0.00 O ATOM 932 CB PHE A 63 2.096 14.761 -6.367 1.00 0.00 C ATOM 933 CG PHE A 63 3.395 14.595 -5.613 1.00 0.00 C ATOM 934 CD1 PHE A 63 3.567 13.504 -4.751 1.00 0.00 C ATOM 935 CD2 PHE A 63 4.421 15.535 -5.762 1.00 0.00 C ATOM 936 CE1 PHE A 63 4.765 13.353 -4.041 1.00 0.00 C ATOM 937 CE2 PHE A 63 5.618 15.385 -5.052 1.00 0.00 C ATOM 938 CZ PHE A 63 5.789 14.294 -4.192 1.00 0.00 C ATOM 0 H PHE A 63 -0.282 14.037 -6.206 1.00 0.00 H new ATOM 0 HA PHE A 63 1.492 15.517 -4.455 1.00 0.00 H new ATOM 0 HB2 PHE A 63 1.705 13.788 -6.663 1.00 0.00 H new ATOM 0 HB3 PHE A 63 2.261 15.330 -7.282 1.00 0.00 H new ATOM 0 HD1 PHE A 63 2.775 12.779 -4.634 1.00 0.00 H new ATOM 0 HD2 PHE A 63 4.289 16.377 -6.425 1.00 0.00 H new ATOM 0 HE1 PHE A 63 4.898 12.511 -3.378 1.00 0.00 H new ATOM 0 HE2 PHE A 63 6.409 16.111 -5.168 1.00 0.00 H new ATOM 0 HZ PHE A 63 6.713 14.179 -3.644 1.00 0.00 H new ATOM 948 N GLN A 64 0.029 17.146 -6.918 1.00 0.00 N ATOM 949 CA GLN A 64 -0.211 18.551 -7.362 1.00 0.00 C ATOM 950 C GLN A 64 -1.200 19.202 -6.395 1.00 0.00 C ATOM 951 O GLN A 64 -1.538 20.364 -6.514 1.00 0.00 O ATOM 952 CB GLN A 64 -0.770 18.582 -8.789 1.00 0.00 C ATOM 953 CG GLN A 64 -2.257 18.206 -8.784 1.00 0.00 C ATOM 954 CD GLN A 64 -2.788 18.169 -10.220 1.00 0.00 C ATOM 955 OE1 GLN A 64 -2.214 18.763 -11.110 1.00 0.00 O ATOM 956 NE2 GLN A 64 -3.872 17.492 -10.483 1.00 0.00 N ATOM 0 H GLN A 64 -0.494 16.428 -7.420 1.00 0.00 H new ATOM 0 HA GLN A 64 0.731 19.099 -7.361 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -0.640 19.576 -9.217 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -0.214 17.889 -9.420 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -2.394 17.234 -8.311 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -2.822 18.929 -8.196 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -4.355 16.993 -9.736 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -4.236 17.462 -11.435 1.00 0.00 H new ATOM 965 N MET A 65 -1.635 18.454 -5.420 1.00 0.00 N ATOM 966 CA MET A 65 -2.572 18.997 -4.404 1.00 0.00 C ATOM 967 C MET A 65 -1.721 19.664 -3.337 1.00 0.00 C ATOM 968 O MET A 65 -2.059 20.703 -2.804 1.00 0.00 O ATOM 969 CB MET A 65 -3.390 17.856 -3.788 1.00 0.00 C ATOM 970 CG MET A 65 -4.704 18.408 -3.230 1.00 0.00 C ATOM 971 SD MET A 65 -5.517 17.135 -2.231 1.00 0.00 S ATOM 972 CE MET A 65 -6.347 18.248 -1.069 1.00 0.00 C ATOM 0 H MET A 65 -1.376 17.477 -5.284 1.00 0.00 H new ATOM 0 HA MET A 65 -3.269 19.708 -4.849 1.00 0.00 H new ATOM 0 HB2 MET A 65 -3.594 17.094 -4.541 1.00 0.00 H new ATOM 0 HB3 MET A 65 -2.820 17.374 -2.994 1.00 0.00 H new ATOM 0 HG2 MET A 65 -4.511 19.293 -2.624 1.00 0.00 H new ATOM 0 HG3 MET A 65 -5.357 18.717 -4.046 1.00 0.00 H new ATOM 0 HE1 MET A 65 -6.918 17.662 -0.349 1.00 0.00 H new ATOM 0 HE2 MET A 65 -5.603 18.845 -0.542 1.00 0.00 H new ATOM 0 HE3 MET A 65 -7.021 18.908 -1.615 1.00 0.00 H new ATOM 982 N LEU A 66 -0.587 19.078 -3.057 1.00 0.00 N ATOM 983 CA LEU A 66 0.341 19.674 -2.063 1.00 0.00 C ATOM 984 C LEU A 66 1.059 20.811 -2.777 1.00 0.00 C ATOM 985 O LEU A 66 0.922 21.968 -2.431 1.00 0.00 O ATOM 986 CB LEU A 66 1.375 18.631 -1.610 1.00 0.00 C ATOM 987 CG LEU A 66 0.728 17.246 -1.547 1.00 0.00 C ATOM 988 CD1 LEU A 66 1.745 16.230 -1.021 1.00 0.00 C ATOM 989 CD2 LEU A 66 -0.489 17.277 -0.616 1.00 0.00 C ATOM 0 H LEU A 66 -0.265 18.207 -3.479 1.00 0.00 H new ATOM 0 HA LEU A 66 -0.201 20.022 -1.183 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.217 18.617 -2.302 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.771 18.901 -0.631 1.00 0.00 H new ATOM 0 HG LEU A 66 0.406 16.958 -2.548 1.00 0.00 H new ATOM 0 HD11 LEU A 66 1.284 15.243 -0.976 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.606 16.198 -1.689 1.00 0.00 H new ATOM 0 HD13 LEU A 66 2.070 16.524 -0.023 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -0.943 16.287 -0.578 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.174 17.571 0.385 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.217 17.995 -0.993 1.00 0.00 H new ATOM 1001 N PHE A 67 1.797 20.469 -3.805 1.00 0.00 N ATOM 1002 CA PHE A 67 2.519 21.492 -4.607 1.00 0.00 C ATOM 1003 C PHE A 67 3.407 20.788 -5.639 1.00 0.00 C ATOM 1004 O PHE A 67 4.505 20.361 -5.339 1.00 0.00 O ATOM 1005 CB PHE A 67 3.391 22.374 -3.699 1.00 0.00 C ATOM 1006 CG PHE A 67 3.333 23.807 -4.178 1.00 0.00 C ATOM 1007 CD1 PHE A 67 2.266 24.631 -3.797 1.00 0.00 C ATOM 1008 CD2 PHE A 67 4.347 24.310 -5.003 1.00 0.00 C ATOM 1009 CE1 PHE A 67 2.213 25.958 -4.241 1.00 0.00 C ATOM 1010 CE2 PHE A 67 4.293 25.636 -5.446 1.00 0.00 C ATOM 1011 CZ PHE A 67 3.227 26.460 -5.065 1.00 0.00 C ATOM 0 H PHE A 67 1.928 19.509 -4.123 1.00 0.00 H new ATOM 0 HA PHE A 67 1.789 22.125 -5.111 1.00 0.00 H new ATOM 0 HB2 PHE A 67 3.042 22.310 -2.668 1.00 0.00 H new ATOM 0 HB3 PHE A 67 4.421 22.018 -3.709 1.00 0.00 H new ATOM 0 HD1 PHE A 67 1.484 24.243 -3.161 1.00 0.00 H new ATOM 0 HD2 PHE A 67 5.170 23.675 -5.297 1.00 0.00 H new ATOM 0 HE1 PHE A 67 1.390 26.594 -3.948 1.00 0.00 H new ATOM 0 HE2 PHE A 67 5.074 26.024 -6.082 1.00 0.00 H new ATOM 0 HZ PHE A 67 3.187 27.484 -5.407 1.00 0.00 H new ATOM 1021 N ALA A 68 2.936 20.664 -6.852 1.00 0.00 N ATOM 1022 CA ALA A 68 3.747 19.992 -7.910 1.00 0.00 C ATOM 1023 C ALA A 68 3.551 20.722 -9.248 1.00 0.00 C ATOM 1024 O ALA A 68 2.927 20.201 -10.152 1.00 0.00 O ATOM 1025 CB ALA A 68 3.297 18.533 -8.047 1.00 0.00 C ATOM 0 H ALA A 68 2.022 21.000 -7.156 1.00 0.00 H new ATOM 0 HA ALA A 68 4.801 20.021 -7.635 1.00 0.00 H new ATOM 0 HB1 ALA A 68 3.888 18.041 -8.819 1.00 0.00 H new ATOM 0 HB2 ALA A 68 3.440 18.018 -7.097 1.00 0.00 H new ATOM 0 HB3 ALA A 68 2.243 18.502 -8.322 1.00 0.00 H new ATOM 1031 N PRO A 69 4.095 21.914 -9.330 1.00 0.00 N ATOM 1032 CA PRO A 69 3.998 22.743 -10.547 1.00 0.00 C ATOM 1033 C PRO A 69 4.686 22.041 -11.724 1.00 0.00 C ATOM 1034 O PRO A 69 5.570 21.227 -11.542 1.00 0.00 O ATOM 1035 CB PRO A 69 4.730 24.047 -10.194 1.00 0.00 C ATOM 1036 CG PRO A 69 5.272 23.907 -8.748 1.00 0.00 C ATOM 1037 CD PRO A 69 4.845 22.530 -8.219 1.00 0.00 C ATOM 0 HA PRO A 69 2.965 22.921 -10.846 1.00 0.00 H new ATOM 0 HB2 PRO A 69 5.547 24.228 -10.893 1.00 0.00 H new ATOM 0 HB3 PRO A 69 4.053 24.898 -10.268 1.00 0.00 H new ATOM 0 HG2 PRO A 69 6.358 24.001 -8.736 1.00 0.00 H new ATOM 0 HG3 PRO A 69 4.876 24.700 -8.113 1.00 0.00 H new ATOM 0 HD2 PRO A 69 5.710 21.927 -7.944 1.00 0.00 H new ATOM 0 HD3 PRO A 69 4.225 22.624 -7.327 1.00 0.00 H new ATOM 1045 N CYS A 70 4.285 22.355 -12.928 1.00 0.00 N ATOM 1046 CA CYS A 70 4.912 21.713 -14.120 1.00 0.00 C ATOM 1047 C CYS A 70 6.339 22.245 -14.300 1.00 0.00 C ATOM 1048 O CYS A 70 7.196 21.466 -14.684 1.00 0.00 O ATOM 1049 CB CYS A 70 4.085 22.035 -15.368 1.00 0.00 C ATOM 1050 SG CYS A 70 3.804 23.820 -15.466 1.00 0.00 S ATOM 0 H CYS A 70 3.549 23.030 -13.137 1.00 0.00 H new ATOM 0 HA CYS A 70 4.945 20.633 -13.974 1.00 0.00 H new ATOM 0 HB2 CYS A 70 4.606 21.689 -16.261 1.00 0.00 H new ATOM 0 HB3 CYS A 70 3.132 21.508 -15.331 1.00 0.00 H new ATOM 0 HG CYS A 70 3.104 24.091 -16.527 1.00 0.00 H new TER 1056 CYS A 70 HETATM 1057 ZN ZN A 998 -2.655 -4.957 -10.784 1.00 0.00 ZN HETATM 1058 ZN ZN A 999 -4.635 10.823 -6.454 1.00 0.00 ZN