USER MOD reduce.3.24.130724 H: found=0, std=0, add=550, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 548 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 40 HIS HD1 : A 40 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD Set 1.1: A 35 THR OG1 : rot 180:sc= 0.0395 USER MOD Set 1.2: A 41 ASN : amide:sc= -0.999 K(o=-0.96,f=-4!) USER MOD Single : A 1 GLY N :NH3+ -112:sc= 0.0899 (180deg=-1.45!) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.292 K(o=-0.29,f=-2.4!) USER MOD Single : A 15 ASN : amide:sc= -0.983 K(o=-0.98,f=-4.2!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 31 GLN : amide:sc= -0.164 X(o=-0.16,f=0) USER MOD Single : A 32 LYS NZ :NH3+ 150:sc= -0.393 (180deg=-1.09) USER MOD Single : A 45 LYS NZ :NH3+ 152:sc= 0 (180deg=-0.71) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -2.19! C(o=-2.2!,f=-3.1!) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.0364 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 CYS SG : rot 180:sc=-0.00178 USER MOD Single : A 59 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0485) USER MOD Single : A 64 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0339) USER MOD Single : A 65 THR OG1 : rot -98:sc= -0.589 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN : amide:sc= -0.0702 K(o=-0.07,f=-0.77) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -12.980 4.332 -21.085 1.00 0.00 N ATOM 2 CA GLY A 1 -12.604 3.326 -20.109 1.00 0.00 C ATOM 3 C GLY A 1 -12.029 2.080 -20.753 1.00 0.00 C ATOM 4 O GLY A 1 -12.180 1.869 -21.957 1.00 0.00 O ATOM 0 H1 GLY A 1 -12.348 5.153 -20.998 1.00 0.00 H new ATOM 0 H2 GLY A 1 -12.901 3.934 -22.042 1.00 0.00 H new ATOM 0 H3 GLY A 1 -13.961 4.631 -20.915 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.871 3.747 -19.421 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -13.478 3.055 -19.516 1.00 0.00 H new ATOM 8 N SER A 2 -11.367 1.252 -19.951 1.00 0.00 N ATOM 9 CA SER A 2 -10.763 0.023 -20.452 1.00 0.00 C ATOM 10 C SER A 2 -9.970 0.288 -21.728 1.00 0.00 C ATOM 11 O SER A 2 -10.015 -0.499 -22.674 1.00 0.00 O ATOM 12 CB SER A 2 -11.841 -1.029 -20.716 1.00 0.00 C ATOM 13 OG SER A 2 -11.330 -2.339 -20.540 1.00 0.00 O ATOM 0 H SER A 2 -11.235 1.410 -18.952 1.00 0.00 H new ATOM 0 HA SER A 2 -10.078 -0.352 -19.692 1.00 0.00 H new ATOM 0 HB2 SER A 2 -12.682 -0.870 -20.041 1.00 0.00 H new ATOM 0 HB3 SER A 2 -12.222 -0.917 -21.731 1.00 0.00 H new ATOM 0 HG SER A 2 -12.039 -2.993 -20.713 1.00 0.00 H new ATOM 19 N SER A 3 -9.245 1.401 -21.747 1.00 0.00 N ATOM 20 CA SER A 3 -8.445 1.773 -22.908 1.00 0.00 C ATOM 21 C SER A 3 -7.370 2.786 -22.525 1.00 0.00 C ATOM 22 O SER A 3 -7.458 3.439 -21.486 1.00 0.00 O ATOM 23 CB SER A 3 -9.339 2.352 -24.006 1.00 0.00 C ATOM 24 OG SER A 3 -8.787 2.117 -25.290 1.00 0.00 O ATOM 0 H SER A 3 -9.195 2.061 -20.971 1.00 0.00 H new ATOM 0 HA SER A 3 -7.956 0.874 -23.284 1.00 0.00 H new ATOM 0 HB2 SER A 3 -10.331 1.904 -23.946 1.00 0.00 H new ATOM 0 HB3 SER A 3 -9.463 3.424 -23.851 1.00 0.00 H new ATOM 0 HG SER A 3 -9.378 2.495 -25.974 1.00 0.00 H new ATOM 30 N GLY A 4 -6.354 2.911 -23.374 1.00 0.00 N ATOM 31 CA GLY A 4 -5.276 3.845 -23.108 1.00 0.00 C ATOM 32 C GLY A 4 -5.759 5.107 -22.421 1.00 0.00 C ATOM 33 O GLY A 4 -5.292 5.449 -21.334 1.00 0.00 O ATOM 0 H GLY A 4 -6.259 2.382 -24.241 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -4.525 3.360 -22.484 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -4.789 4.110 -24.046 1.00 0.00 H new ATOM 37 N SER A 5 -6.696 5.804 -23.057 1.00 0.00 N ATOM 38 CA SER A 5 -7.238 7.039 -22.502 1.00 0.00 C ATOM 39 C SER A 5 -8.224 6.742 -21.376 1.00 0.00 C ATOM 40 O SER A 5 -8.999 5.789 -21.450 1.00 0.00 O ATOM 41 CB SER A 5 -7.928 7.854 -23.598 1.00 0.00 C ATOM 42 OG SER A 5 -7.062 8.065 -24.699 1.00 0.00 O ATOM 0 H SER A 5 -7.095 5.535 -23.956 1.00 0.00 H new ATOM 0 HA SER A 5 -6.411 7.619 -22.093 1.00 0.00 H new ATOM 0 HB2 SER A 5 -8.826 7.333 -23.932 1.00 0.00 H new ATOM 0 HB3 SER A 5 -8.248 8.814 -23.194 1.00 0.00 H new ATOM 0 HG SER A 5 -7.527 8.587 -25.386 1.00 0.00 H new ATOM 48 N SER A 6 -8.187 7.566 -20.334 1.00 0.00 N ATOM 49 CA SER A 6 -9.074 7.391 -19.189 1.00 0.00 C ATOM 50 C SER A 6 -10.504 7.785 -19.545 1.00 0.00 C ATOM 51 O SER A 6 -10.730 8.640 -20.400 1.00 0.00 O ATOM 52 CB SER A 6 -8.582 8.225 -18.005 1.00 0.00 C ATOM 53 OG SER A 6 -9.399 8.022 -16.865 1.00 0.00 O ATOM 0 H SER A 6 -7.553 8.361 -20.259 1.00 0.00 H new ATOM 0 HA SER A 6 -9.065 6.337 -18.910 1.00 0.00 H new ATOM 0 HB2 SER A 6 -7.552 7.957 -17.770 1.00 0.00 H new ATOM 0 HB3 SER A 6 -8.584 9.281 -18.274 1.00 0.00 H new ATOM 0 HG SER A 6 -9.063 8.564 -16.121 1.00 0.00 H new ATOM 59 N GLY A 7 -11.468 7.154 -18.881 1.00 0.00 N ATOM 60 CA GLY A 7 -12.864 7.451 -19.140 1.00 0.00 C ATOM 61 C GLY A 7 -13.629 7.788 -17.876 1.00 0.00 C ATOM 62 O GLY A 7 -13.032 8.052 -16.833 1.00 0.00 O ATOM 0 H GLY A 7 -11.306 6.442 -18.168 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -12.931 8.287 -19.836 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -13.331 6.594 -19.626 1.00 0.00 H new ATOM 66 N MET A 8 -14.955 7.782 -17.969 1.00 0.00 N ATOM 67 CA MET A 8 -15.803 8.091 -16.823 1.00 0.00 C ATOM 68 C MET A 8 -16.990 7.136 -16.752 1.00 0.00 C ATOM 69 O MET A 8 -17.220 6.347 -17.668 1.00 0.00 O ATOM 70 CB MET A 8 -16.300 9.536 -16.904 1.00 0.00 C ATOM 71 CG MET A 8 -15.189 10.568 -16.789 1.00 0.00 C ATOM 72 SD MET A 8 -15.686 12.193 -17.392 1.00 0.00 S ATOM 73 CE MET A 8 -14.554 12.407 -18.763 1.00 0.00 C ATOM 0 H MET A 8 -15.465 7.567 -18.826 1.00 0.00 H new ATOM 0 HA MET A 8 -15.207 7.970 -15.918 1.00 0.00 H new ATOM 0 HB2 MET A 8 -16.822 9.680 -17.850 1.00 0.00 H new ATOM 0 HB3 MET A 8 -17.027 9.707 -16.110 1.00 0.00 H new ATOM 0 HG2 MET A 8 -14.881 10.650 -15.747 1.00 0.00 H new ATOM 0 HG3 MET A 8 -14.321 10.226 -17.352 1.00 0.00 H new ATOM 0 HE1 MET A 8 -14.738 13.370 -19.240 1.00 0.00 H new ATOM 0 HE2 MET A 8 -13.528 12.374 -18.396 1.00 0.00 H new ATOM 0 HE3 MET A 8 -14.706 11.608 -19.489 1.00 0.00 H new ATOM 83 N ALA A 9 -17.740 7.212 -15.658 1.00 0.00 N ATOM 84 CA ALA A 9 -18.904 6.356 -15.469 1.00 0.00 C ATOM 85 C ALA A 9 -20.184 7.180 -15.377 1.00 0.00 C ATOM 86 O ALA A 9 -20.139 8.409 -15.322 1.00 0.00 O ATOM 87 CB ALA A 9 -18.734 5.502 -14.221 1.00 0.00 C ATOM 0 H ALA A 9 -17.562 7.858 -14.889 1.00 0.00 H new ATOM 0 HA ALA A 9 -18.986 5.701 -16.337 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -19.611 4.868 -14.092 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -17.847 4.878 -14.325 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -18.623 6.148 -13.350 1.00 0.00 H new ATOM 93 N SER A 10 -21.323 6.496 -15.363 1.00 0.00 N ATOM 94 CA SER A 10 -22.616 7.167 -15.282 1.00 0.00 C ATOM 95 C SER A 10 -23.611 6.333 -14.481 1.00 0.00 C ATOM 96 O SER A 10 -23.361 5.167 -14.180 1.00 0.00 O ATOM 97 CB SER A 10 -23.166 7.428 -16.686 1.00 0.00 C ATOM 98 OG SER A 10 -23.975 8.592 -16.707 1.00 0.00 O ATOM 0 H SER A 10 -21.378 5.478 -15.407 1.00 0.00 H new ATOM 0 HA SER A 10 -22.473 8.120 -14.772 1.00 0.00 H new ATOM 0 HB2 SER A 10 -22.340 7.542 -17.388 1.00 0.00 H new ATOM 0 HB3 SER A 10 -23.750 6.569 -17.017 1.00 0.00 H new ATOM 0 HG SER A 10 -24.313 8.739 -17.615 1.00 0.00 H new ATOM 104 N GLY A 11 -24.742 6.942 -14.138 1.00 0.00 N ATOM 105 CA GLY A 11 -25.759 6.242 -13.374 1.00 0.00 C ATOM 106 C GLY A 11 -26.837 5.644 -14.255 1.00 0.00 C ATOM 107 O GLY A 11 -26.833 5.840 -15.470 1.00 0.00 O ATOM 0 H GLY A 11 -24.972 7.907 -14.375 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -25.290 5.450 -12.791 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -26.215 6.932 -12.665 1.00 0.00 H new ATOM 111 N GLN A 12 -27.762 4.912 -13.642 1.00 0.00 N ATOM 112 CA GLN A 12 -28.850 4.282 -14.381 1.00 0.00 C ATOM 113 C GLN A 12 -29.850 3.633 -13.430 1.00 0.00 C ATOM 114 O GLN A 12 -29.518 3.313 -12.288 1.00 0.00 O ATOM 115 CB GLN A 12 -28.297 3.236 -15.350 1.00 0.00 C ATOM 116 CG GLN A 12 -29.143 3.058 -16.601 1.00 0.00 C ATOM 117 CD GLN A 12 -28.957 4.186 -17.596 1.00 0.00 C ATOM 118 OE1 GLN A 12 -29.313 5.333 -17.326 1.00 0.00 O ATOM 119 NE2 GLN A 12 -28.395 3.866 -18.756 1.00 0.00 N ATOM 0 H GLN A 12 -27.780 4.741 -12.637 1.00 0.00 H new ATOM 0 HA GLN A 12 -29.366 5.056 -14.949 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -27.287 3.522 -15.642 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -28.221 2.279 -14.834 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -28.886 2.112 -17.078 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -30.194 2.997 -16.319 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -28.115 2.902 -18.938 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -28.243 4.584 -19.465 1.00 0.00 H new ATOM 128 N PHE A 13 -31.075 3.442 -13.907 1.00 0.00 N ATOM 129 CA PHE A 13 -32.124 2.832 -13.098 1.00 0.00 C ATOM 130 C PHE A 13 -31.634 1.536 -12.458 1.00 0.00 C ATOM 131 O PHE A 13 -30.543 1.054 -12.763 1.00 0.00 O ATOM 132 CB PHE A 13 -33.361 2.555 -13.954 1.00 0.00 C ATOM 133 CG PHE A 13 -34.048 3.800 -14.437 1.00 0.00 C ATOM 134 CD1 PHE A 13 -33.576 4.481 -15.548 1.00 0.00 C ATOM 135 CD2 PHE A 13 -35.165 4.291 -13.780 1.00 0.00 C ATOM 136 CE1 PHE A 13 -34.205 5.628 -15.994 1.00 0.00 C ATOM 137 CE2 PHE A 13 -35.798 5.437 -14.221 1.00 0.00 C ATOM 138 CZ PHE A 13 -35.318 6.106 -15.330 1.00 0.00 C ATOM 0 H PHE A 13 -31.366 3.701 -14.850 1.00 0.00 H new ATOM 0 HA PHE A 13 -32.388 3.531 -12.304 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -33.070 1.953 -14.815 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -34.068 1.961 -13.375 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -32.707 4.111 -16.071 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -35.545 3.772 -12.913 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -33.827 6.150 -16.861 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -36.667 5.809 -13.699 1.00 0.00 H new ATOM 0 HZ PHE A 13 -35.812 7.001 -15.677 1.00 0.00 H new ATOM 148 N VAL A 14 -32.448 0.978 -11.568 1.00 0.00 N ATOM 149 CA VAL A 14 -32.098 -0.262 -10.885 1.00 0.00 C ATOM 150 C VAL A 14 -32.087 -1.439 -11.854 1.00 0.00 C ATOM 151 O VAL A 14 -33.076 -2.159 -11.984 1.00 0.00 O ATOM 152 CB VAL A 14 -33.080 -0.566 -9.737 1.00 0.00 C ATOM 153 CG1 VAL A 14 -32.711 -1.873 -9.052 1.00 0.00 C ATOM 154 CG2 VAL A 14 -33.102 0.581 -8.739 1.00 0.00 C ATOM 0 H VAL A 14 -33.354 1.365 -11.303 1.00 0.00 H new ATOM 0 HA VAL A 14 -31.098 -0.125 -10.473 1.00 0.00 H new ATOM 0 HB VAL A 14 -34.081 -0.673 -10.155 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -33.415 -2.072 -8.244 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -32.750 -2.687 -9.776 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -31.703 -1.798 -8.645 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -33.801 0.350 -7.935 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -32.104 0.721 -8.324 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -33.417 1.495 -9.242 1.00 0.00 H new ATOM 164 N ASN A 15 -30.959 -1.629 -12.532 1.00 0.00 N ATOM 165 CA ASN A 15 -30.818 -2.719 -13.490 1.00 0.00 C ATOM 166 C ASN A 15 -29.388 -2.801 -14.015 1.00 0.00 C ATOM 167 O ASN A 15 -28.562 -1.932 -13.736 1.00 0.00 O ATOM 168 CB ASN A 15 -31.791 -2.531 -14.656 1.00 0.00 C ATOM 169 CG ASN A 15 -31.568 -1.223 -15.390 1.00 0.00 C ATOM 170 OD1 ASN A 15 -30.893 -0.324 -14.888 1.00 0.00 O ATOM 171 ND2 ASN A 15 -32.134 -1.111 -16.586 1.00 0.00 N ATOM 0 H ASN A 15 -30.130 -1.042 -12.435 1.00 0.00 H new ATOM 0 HA ASN A 15 -31.052 -3.652 -12.977 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -31.681 -3.360 -15.355 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -32.814 -2.564 -14.281 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -32.017 -0.254 -17.127 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -32.685 -1.882 -16.963 1.00 0.00 H new ATOM 178 N LYS A 16 -29.102 -3.850 -14.778 1.00 0.00 N ATOM 179 CA LYS A 16 -27.773 -4.046 -15.345 1.00 0.00 C ATOM 180 C LYS A 16 -26.721 -4.140 -14.244 1.00 0.00 C ATOM 181 O LYS A 16 -25.604 -3.643 -14.396 1.00 0.00 O ATOM 182 CB LYS A 16 -27.429 -2.900 -16.298 1.00 0.00 C ATOM 183 CG LYS A 16 -28.109 -3.009 -17.652 1.00 0.00 C ATOM 184 CD LYS A 16 -27.812 -1.802 -18.525 1.00 0.00 C ATOM 185 CE LYS A 16 -26.511 -1.977 -19.293 1.00 0.00 C ATOM 186 NZ LYS A 16 -26.704 -2.773 -20.537 1.00 0.00 N ATOM 0 H LYS A 16 -29.774 -4.579 -15.018 1.00 0.00 H new ATOM 0 HA LYS A 16 -27.776 -4.984 -15.901 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -27.712 -1.955 -15.834 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -26.349 -2.872 -16.444 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -27.774 -3.915 -18.156 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -29.186 -3.102 -17.513 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -28.632 -1.648 -19.226 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -27.752 -0.908 -17.904 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -26.105 -0.998 -19.548 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -25.777 -2.471 -18.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -25.794 -2.870 -21.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -27.067 -3.716 -20.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -27.385 -2.289 -21.156 1.00 0.00 H new ATOM 200 N LEU A 17 -27.084 -4.779 -13.138 1.00 0.00 N ATOM 201 CA LEU A 17 -26.170 -4.939 -12.012 1.00 0.00 C ATOM 202 C LEU A 17 -24.807 -5.434 -12.483 1.00 0.00 C ATOM 203 O LEU A 17 -24.713 -6.207 -13.436 1.00 0.00 O ATOM 204 CB LEU A 17 -26.755 -5.916 -10.990 1.00 0.00 C ATOM 205 CG LEU A 17 -27.097 -7.311 -11.514 1.00 0.00 C ATOM 206 CD1 LEU A 17 -25.905 -8.244 -11.368 1.00 0.00 C ATOM 207 CD2 LEU A 17 -28.309 -7.873 -10.785 1.00 0.00 C ATOM 0 H LEU A 17 -28.005 -5.195 -12.996 1.00 0.00 H new ATOM 0 HA LEU A 17 -26.039 -3.965 -11.541 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -26.044 -6.022 -10.170 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -27.660 -5.475 -10.572 1.00 0.00 H new ATOM 0 HG LEU A 17 -27.341 -7.230 -12.573 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -26.168 -9.232 -11.746 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -25.063 -7.850 -11.937 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -25.629 -8.320 -10.316 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -28.538 -8.866 -11.171 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -28.094 -7.939 -9.718 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -29.165 -7.217 -10.942 1.00 0.00 H new ATOM 219 N GLN A 18 -23.754 -4.985 -11.808 1.00 0.00 N ATOM 220 CA GLN A 18 -22.396 -5.384 -12.158 1.00 0.00 C ATOM 221 C GLN A 18 -21.621 -5.822 -10.919 1.00 0.00 C ATOM 222 O GLN A 18 -21.287 -5.003 -10.064 1.00 0.00 O ATOM 223 CB GLN A 18 -21.665 -4.232 -12.850 1.00 0.00 C ATOM 224 CG GLN A 18 -22.185 -3.933 -14.247 1.00 0.00 C ATOM 225 CD GLN A 18 -21.738 -2.578 -14.759 1.00 0.00 C ATOM 226 OE1 GLN A 18 -20.774 -1.999 -14.257 1.00 0.00 O ATOM 227 NE2 GLN A 18 -22.439 -2.064 -15.763 1.00 0.00 N ATOM 0 H GLN A 18 -23.815 -4.345 -11.016 1.00 0.00 H new ATOM 0 HA GLN A 18 -22.458 -6.229 -12.843 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -21.756 -3.335 -12.238 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -20.603 -4.470 -12.910 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -21.841 -4.708 -14.932 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -23.274 -3.974 -14.241 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -23.231 -2.579 -16.148 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -22.186 -1.154 -16.149 1.00 0.00 H new ATOM 236 N GLU A 19 -21.340 -7.118 -10.831 1.00 0.00 N ATOM 237 CA GLU A 19 -20.606 -7.664 -9.695 1.00 0.00 C ATOM 238 C GLU A 19 -19.106 -7.433 -9.856 1.00 0.00 C ATOM 239 O GLU A 19 -18.303 -8.343 -9.654 1.00 0.00 O ATOM 240 CB GLU A 19 -20.889 -9.160 -9.548 1.00 0.00 C ATOM 241 CG GLU A 19 -22.361 -9.484 -9.351 1.00 0.00 C ATOM 242 CD GLU A 19 -22.989 -8.684 -8.226 1.00 0.00 C ATOM 243 OE1 GLU A 19 -22.430 -8.692 -7.109 1.00 0.00 O ATOM 244 OE2 GLU A 19 -24.039 -8.050 -8.463 1.00 0.00 O ATOM 0 H GLU A 19 -21.609 -7.809 -11.532 1.00 0.00 H new ATOM 0 HA GLU A 19 -20.942 -7.148 -8.796 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -20.527 -9.679 -10.436 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -20.324 -9.547 -8.700 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -22.900 -9.286 -10.277 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -22.470 -10.548 -9.140 1.00 0.00 H new ATOM 251 N GLU A 20 -18.737 -6.209 -10.220 1.00 0.00 N ATOM 252 CA GLU A 20 -17.334 -5.859 -10.409 1.00 0.00 C ATOM 253 C GLU A 20 -16.607 -5.782 -9.070 1.00 0.00 C ATOM 254 O GLU A 20 -17.169 -5.332 -8.071 1.00 0.00 O ATOM 255 CB GLU A 20 -17.213 -4.523 -11.145 1.00 0.00 C ATOM 256 CG GLU A 20 -17.634 -4.592 -12.604 1.00 0.00 C ATOM 257 CD GLU A 20 -16.569 -5.207 -13.490 1.00 0.00 C ATOM 258 OE1 GLU A 20 -15.694 -4.459 -13.974 1.00 0.00 O ATOM 259 OE2 GLU A 20 -16.611 -6.438 -13.700 1.00 0.00 O ATOM 0 H GLU A 20 -19.390 -5.444 -10.390 1.00 0.00 H new ATOM 0 HA GLU A 20 -16.869 -6.640 -11.011 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -17.824 -3.779 -10.634 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -16.180 -4.179 -11.089 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -18.551 -5.175 -12.686 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -17.862 -3.587 -12.960 1.00 0.00 H new ATOM 266 N VAL A 21 -15.354 -6.224 -9.056 1.00 0.00 N ATOM 267 CA VAL A 21 -14.549 -6.205 -7.841 1.00 0.00 C ATOM 268 C VAL A 21 -14.519 -4.811 -7.223 1.00 0.00 C ATOM 269 O VAL A 21 -14.544 -3.806 -7.934 1.00 0.00 O ATOM 270 CB VAL A 21 -13.105 -6.663 -8.116 1.00 0.00 C ATOM 271 CG1 VAL A 21 -12.411 -5.701 -9.068 1.00 0.00 C ATOM 272 CG2 VAL A 21 -12.329 -6.791 -6.814 1.00 0.00 C ATOM 0 H VAL A 21 -14.874 -6.600 -9.874 1.00 0.00 H new ATOM 0 HA VAL A 21 -15.015 -6.900 -7.142 1.00 0.00 H new ATOM 0 HB VAL A 21 -13.138 -7.644 -8.590 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -11.392 -6.041 -9.250 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -12.956 -5.666 -10.011 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -12.387 -4.705 -8.626 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -11.311 -7.116 -7.028 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -12.304 -5.825 -6.309 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -12.816 -7.524 -6.171 1.00 0.00 H new ATOM 282 N ILE A 22 -14.465 -4.759 -5.897 1.00 0.00 N ATOM 283 CA ILE A 22 -14.430 -3.488 -5.184 1.00 0.00 C ATOM 284 C ILE A 22 -13.086 -3.282 -4.493 1.00 0.00 C ATOM 285 O ILE A 22 -12.446 -4.240 -4.059 1.00 0.00 O ATOM 286 CB ILE A 22 -15.553 -3.400 -4.134 1.00 0.00 C ATOM 287 CG1 ILE A 22 -16.893 -3.803 -4.753 1.00 0.00 C ATOM 288 CG2 ILE A 22 -15.632 -1.994 -3.558 1.00 0.00 C ATOM 289 CD1 ILE A 22 -18.022 -3.887 -3.749 1.00 0.00 C ATOM 0 H ILE A 22 -14.445 -5.582 -5.294 1.00 0.00 H new ATOM 0 HA ILE A 22 -14.577 -2.705 -5.928 1.00 0.00 H new ATOM 0 HB ILE A 22 -15.326 -4.092 -3.323 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -17.158 -3.082 -5.526 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -16.781 -4.770 -5.244 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -16.431 -1.949 -2.818 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -14.683 -1.741 -3.085 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -15.839 -1.284 -4.359 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -18.941 -4.178 -4.258 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -17.778 -4.629 -2.989 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -18.161 -2.915 -3.276 1.00 0.00 H new ATOM 301 N CYS A 23 -12.665 -2.025 -4.393 1.00 0.00 N ATOM 302 CA CYS A 23 -11.398 -1.692 -3.753 1.00 0.00 C ATOM 303 C CYS A 23 -11.513 -1.788 -2.235 1.00 0.00 C ATOM 304 O CYS A 23 -12.311 -1.096 -1.603 1.00 0.00 O ATOM 305 CB CYS A 23 -10.956 -0.283 -4.154 1.00 0.00 C ATOM 306 SG CYS A 23 -9.288 0.165 -3.576 1.00 0.00 S ATOM 0 H CYS A 23 -13.183 -1.221 -4.747 1.00 0.00 H new ATOM 0 HA CYS A 23 -10.650 -2.410 -4.089 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -10.987 -0.199 -5.240 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -11.672 0.437 -3.758 1.00 0.00 H new ATOM 311 N PRO A 24 -10.697 -2.667 -1.634 1.00 0.00 N ATOM 312 CA PRO A 24 -10.688 -2.874 -0.183 1.00 0.00 C ATOM 313 C PRO A 24 -10.114 -1.678 0.570 1.00 0.00 C ATOM 314 O PRO A 24 -9.951 -1.722 1.790 1.00 0.00 O ATOM 315 CB PRO A 24 -9.787 -4.099 -0.006 1.00 0.00 C ATOM 316 CG PRO A 24 -8.899 -4.092 -1.201 1.00 0.00 C ATOM 317 CD PRO A 24 -9.721 -3.525 -2.325 1.00 0.00 C ATOM 0 HA PRO A 24 -11.694 -3.005 0.216 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -9.210 -4.036 0.916 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -10.373 -5.017 0.047 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -8.011 -3.486 -1.023 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -8.556 -5.099 -1.438 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -9.108 -2.955 -3.023 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -10.212 -4.310 -2.900 1.00 0.00 H new ATOM 325 N ILE A 25 -9.812 -0.613 -0.164 1.00 0.00 N ATOM 326 CA ILE A 25 -9.258 0.595 0.435 1.00 0.00 C ATOM 327 C ILE A 25 -10.317 1.686 0.551 1.00 0.00 C ATOM 328 O ILE A 25 -10.580 2.199 1.639 1.00 0.00 O ATOM 329 CB ILE A 25 -8.068 1.134 -0.380 1.00 0.00 C ATOM 330 CG1 ILE A 25 -6.961 0.081 -0.464 1.00 0.00 C ATOM 331 CG2 ILE A 25 -7.540 2.418 0.240 1.00 0.00 C ATOM 332 CD1 ILE A 25 -5.836 0.462 -1.401 1.00 0.00 C ATOM 0 H ILE A 25 -9.942 -0.562 -1.174 1.00 0.00 H new ATOM 0 HA ILE A 25 -8.910 0.322 1.431 1.00 0.00 H new ATOM 0 HB ILE A 25 -8.409 1.356 -1.391 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -6.552 -0.086 0.533 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -7.393 -0.864 -0.793 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -6.699 2.787 -0.347 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -8.331 3.168 0.252 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -7.211 2.221 1.260 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -5.087 -0.330 -1.411 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -6.232 0.600 -2.407 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -5.378 1.391 -1.061 1.00 0.00 H new ATOM 344 N CYS A 26 -10.924 2.036 -0.579 1.00 0.00 N ATOM 345 CA CYS A 26 -11.956 3.065 -0.606 1.00 0.00 C ATOM 346 C CYS A 26 -13.343 2.442 -0.731 1.00 0.00 C ATOM 347 O CYS A 26 -14.351 3.073 -0.409 1.00 0.00 O ATOM 348 CB CYS A 26 -11.712 4.031 -1.768 1.00 0.00 C ATOM 349 SG CYS A 26 -11.593 3.220 -3.395 1.00 0.00 S ATOM 0 H CYS A 26 -10.718 1.621 -1.488 1.00 0.00 H new ATOM 0 HA CYS A 26 -11.908 3.617 0.333 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -12.521 4.761 -1.796 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -10.791 4.583 -1.581 1.00 0.00 H new ATOM 354 N LEU A 27 -13.387 1.200 -1.199 1.00 0.00 N ATOM 355 CA LEU A 27 -14.650 0.489 -1.367 1.00 0.00 C ATOM 356 C LEU A 27 -15.462 1.085 -2.512 1.00 0.00 C ATOM 357 O LEU A 27 -16.664 1.316 -2.379 1.00 0.00 O ATOM 358 CB LEU A 27 -15.462 0.539 -0.071 1.00 0.00 C ATOM 359 CG LEU A 27 -14.679 0.302 1.221 1.00 0.00 C ATOM 360 CD1 LEU A 27 -15.519 0.678 2.431 1.00 0.00 C ATOM 361 CD2 LEU A 27 -14.228 -1.149 1.313 1.00 0.00 C ATOM 0 H LEU A 27 -12.562 0.664 -1.469 1.00 0.00 H new ATOM 0 HA LEU A 27 -14.425 -0.550 -1.608 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -15.945 1.514 -0.006 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -16.255 -0.206 -0.134 1.00 0.00 H new ATOM 0 HG LEU A 27 -13.793 0.937 1.208 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -14.945 0.503 3.341 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -15.792 1.732 2.371 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -16.423 0.070 2.449 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -13.672 -1.299 2.239 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -15.100 -1.802 1.303 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -13.588 -1.386 0.463 1.00 0.00 H new ATOM 373 N ASP A 28 -14.799 1.330 -3.636 1.00 0.00 N ATOM 374 CA ASP A 28 -15.459 1.896 -4.807 1.00 0.00 C ATOM 375 C ASP A 28 -15.243 1.014 -6.032 1.00 0.00 C ATOM 376 O ASP A 28 -14.130 0.556 -6.291 1.00 0.00 O ATOM 377 CB ASP A 28 -14.938 3.307 -5.080 1.00 0.00 C ATOM 378 CG ASP A 28 -14.928 4.172 -3.835 1.00 0.00 C ATOM 379 OD1 ASP A 28 -15.762 3.930 -2.938 1.00 0.00 O ATOM 380 OD2 ASP A 28 -14.086 5.092 -3.758 1.00 0.00 O ATOM 0 H ASP A 28 -13.804 1.145 -3.762 1.00 0.00 H new ATOM 0 HA ASP A 28 -16.528 1.946 -4.602 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -13.928 3.246 -5.485 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -15.558 3.779 -5.842 1.00 0.00 H new ATOM 385 N ILE A 29 -16.315 0.779 -6.782 1.00 0.00 N ATOM 386 CA ILE A 29 -16.241 -0.048 -7.980 1.00 0.00 C ATOM 387 C ILE A 29 -14.895 0.113 -8.678 1.00 0.00 C ATOM 388 O ILE A 29 -14.646 1.118 -9.346 1.00 0.00 O ATOM 389 CB ILE A 29 -17.367 0.298 -8.973 1.00 0.00 C ATOM 390 CG1 ILE A 29 -18.735 0.054 -8.332 1.00 0.00 C ATOM 391 CG2 ILE A 29 -17.220 -0.520 -10.247 1.00 0.00 C ATOM 392 CD1 ILE A 29 -19.886 0.627 -9.129 1.00 0.00 C ATOM 0 H ILE A 29 -17.244 1.149 -6.581 1.00 0.00 H new ATOM 0 HA ILE A 29 -16.358 -1.082 -7.657 1.00 0.00 H new ATOM 0 HB ILE A 29 -17.291 1.354 -9.232 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -18.885 -1.019 -8.212 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -18.742 0.490 -7.333 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -18.023 -0.264 -10.938 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -16.258 -0.301 -10.711 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -17.273 -1.582 -10.006 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -20.824 0.417 -8.616 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -19.760 1.705 -9.227 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -19.905 0.172 -10.120 1.00 0.00 H new ATOM 404 N LEU A 30 -14.031 -0.883 -8.522 1.00 0.00 N ATOM 405 CA LEU A 30 -12.709 -0.853 -9.139 1.00 0.00 C ATOM 406 C LEU A 30 -12.820 -0.750 -10.657 1.00 0.00 C ATOM 407 O LEU A 30 -12.937 -1.760 -11.350 1.00 0.00 O ATOM 408 CB LEU A 30 -11.919 -2.106 -8.758 1.00 0.00 C ATOM 409 CG LEU A 30 -11.075 -2.006 -7.487 1.00 0.00 C ATOM 410 CD1 LEU A 30 -10.758 -3.392 -6.947 1.00 0.00 C ATOM 411 CD2 LEU A 30 -9.793 -1.232 -7.758 1.00 0.00 C ATOM 0 H LEU A 30 -14.221 -1.722 -7.974 1.00 0.00 H new ATOM 0 HA LEU A 30 -12.182 0.027 -8.771 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -12.621 -2.932 -8.640 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -11.261 -2.363 -9.588 1.00 0.00 H new ATOM 0 HG LEU A 30 -11.649 -1.467 -6.734 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -10.157 -3.301 -6.042 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -11.687 -3.913 -6.715 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -10.203 -3.956 -7.696 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -9.205 -1.171 -6.842 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -9.215 -1.744 -8.527 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -10.040 -0.226 -8.099 1.00 0.00 H new ATOM 423 N GLN A 31 -12.778 0.478 -11.166 1.00 0.00 N ATOM 424 CA GLN A 31 -12.872 0.712 -12.602 1.00 0.00 C ATOM 425 C GLN A 31 -11.627 0.202 -13.319 1.00 0.00 C ATOM 426 O GLN A 31 -11.708 -0.322 -14.431 1.00 0.00 O ATOM 427 CB GLN A 31 -13.063 2.204 -12.885 1.00 0.00 C ATOM 428 CG GLN A 31 -13.239 2.525 -14.360 1.00 0.00 C ATOM 429 CD GLN A 31 -14.650 2.268 -14.849 1.00 0.00 C ATOM 430 OE1 GLN A 31 -15.451 3.193 -14.985 1.00 0.00 O ATOM 431 NE2 GLN A 31 -14.963 1.005 -15.117 1.00 0.00 N ATOM 0 H GLN A 31 -12.680 1.325 -10.606 1.00 0.00 H new ATOM 0 HA GLN A 31 -13.736 0.164 -12.979 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -13.935 2.561 -12.337 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -12.201 2.751 -12.503 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -12.983 3.570 -14.533 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -12.541 1.925 -14.944 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -14.268 0.269 -14.990 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -15.898 0.771 -15.450 1.00 0.00 H new ATOM 440 N LYS A 32 -10.474 0.357 -12.677 1.00 0.00 N ATOM 441 CA LYS A 32 -9.211 -0.089 -13.252 1.00 0.00 C ATOM 442 C LYS A 32 -8.380 -0.845 -12.220 1.00 0.00 C ATOM 443 O LYS A 32 -7.557 -0.269 -11.508 1.00 0.00 O ATOM 444 CB LYS A 32 -8.418 1.108 -13.783 1.00 0.00 C ATOM 445 CG LYS A 32 -9.176 1.932 -14.809 1.00 0.00 C ATOM 446 CD LYS A 32 -8.674 3.366 -14.854 1.00 0.00 C ATOM 447 CE LYS A 32 -9.390 4.174 -15.925 1.00 0.00 C ATOM 448 NZ LYS A 32 -10.850 4.286 -15.652 1.00 0.00 N ATOM 0 H LYS A 32 -10.389 0.789 -11.757 1.00 0.00 H new ATOM 0 HA LYS A 32 -9.435 -0.764 -14.078 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -8.141 1.750 -12.947 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -7.491 0.750 -14.230 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -9.069 1.477 -15.794 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -10.239 1.925 -14.569 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -8.824 3.836 -13.882 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -7.602 3.371 -15.049 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -8.953 5.171 -15.980 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -9.237 3.705 -16.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -11.208 5.183 -16.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -11.349 3.492 -16.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -11.014 4.262 -14.625 1.00 0.00 H new ATOM 462 N PRO A 33 -8.597 -2.166 -12.137 1.00 0.00 N ATOM 463 CA PRO A 33 -7.876 -3.029 -11.197 1.00 0.00 C ATOM 464 C PRO A 33 -6.407 -3.195 -11.572 1.00 0.00 C ATOM 465 O PRO A 33 -6.068 -3.338 -12.747 1.00 0.00 O ATOM 466 CB PRO A 33 -8.611 -4.367 -11.309 1.00 0.00 C ATOM 467 CG PRO A 33 -9.217 -4.354 -12.670 1.00 0.00 C ATOM 468 CD PRO A 33 -9.563 -2.919 -12.956 1.00 0.00 C ATOM 0 HA PRO A 33 -7.867 -2.615 -10.189 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -7.926 -5.206 -11.189 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -9.374 -4.465 -10.537 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -8.519 -4.742 -13.412 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -10.105 -4.985 -12.708 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -9.461 -2.684 -14.016 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -10.591 -2.690 -12.677 1.00 0.00 H new ATOM 476 N VAL A 34 -5.539 -3.176 -10.566 1.00 0.00 N ATOM 477 CA VAL A 34 -4.106 -3.326 -10.790 1.00 0.00 C ATOM 478 C VAL A 34 -3.520 -4.410 -9.893 1.00 0.00 C ATOM 479 O VAL A 34 -3.434 -4.246 -8.675 1.00 0.00 O ATOM 480 CB VAL A 34 -3.357 -2.004 -10.535 1.00 0.00 C ATOM 481 CG1 VAL A 34 -1.859 -2.196 -10.717 1.00 0.00 C ATOM 482 CG2 VAL A 34 -3.878 -0.911 -11.455 1.00 0.00 C ATOM 0 H VAL A 34 -5.803 -3.058 -9.588 1.00 0.00 H new ATOM 0 HA VAL A 34 -3.977 -3.613 -11.834 1.00 0.00 H new ATOM 0 HB VAL A 34 -3.538 -1.697 -9.505 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -1.346 -1.252 -10.533 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -1.500 -2.947 -10.013 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.656 -2.527 -11.736 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.338 0.016 -11.261 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -3.729 -1.208 -12.493 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -4.941 -0.757 -11.271 1.00 0.00 H new ATOM 492 N THR A 35 -3.117 -5.521 -10.502 1.00 0.00 N ATOM 493 CA THR A 35 -2.540 -6.634 -9.759 1.00 0.00 C ATOM 494 C THR A 35 -1.043 -6.437 -9.549 1.00 0.00 C ATOM 495 O THR A 35 -0.256 -6.535 -10.492 1.00 0.00 O ATOM 496 CB THR A 35 -2.773 -7.974 -10.482 1.00 0.00 C ATOM 497 OG1 THR A 35 -4.166 -8.137 -10.773 1.00 0.00 O ATOM 498 CG2 THR A 35 -2.287 -9.139 -9.634 1.00 0.00 C ATOM 0 H THR A 35 -3.180 -5.674 -11.509 1.00 0.00 H new ATOM 0 HA THR A 35 -3.040 -6.660 -8.791 1.00 0.00 H new ATOM 0 HB THR A 35 -2.206 -7.963 -11.413 1.00 0.00 H new ATOM 0 HG1 THR A 35 -4.306 -8.990 -11.234 1.00 0.00 H new ATOM 0 HG21 THR A 35 -2.462 -10.074 -10.166 1.00 0.00 H new ATOM 0 HG22 THR A 35 -1.220 -9.027 -9.439 1.00 0.00 H new ATOM 0 HG23 THR A 35 -2.829 -9.152 -8.689 1.00 0.00 H new ATOM 506 N ILE A 36 -0.655 -6.160 -8.309 1.00 0.00 N ATOM 507 CA ILE A 36 0.749 -5.951 -7.977 1.00 0.00 C ATOM 508 C ILE A 36 1.436 -7.271 -7.641 1.00 0.00 C ATOM 509 O ILE A 36 0.810 -8.331 -7.660 1.00 0.00 O ATOM 510 CB ILE A 36 0.908 -4.986 -6.787 1.00 0.00 C ATOM 511 CG1 ILE A 36 0.026 -5.430 -5.619 1.00 0.00 C ATOM 512 CG2 ILE A 36 0.562 -3.565 -7.209 1.00 0.00 C ATOM 513 CD1 ILE A 36 0.266 -4.647 -4.348 1.00 0.00 C ATOM 0 H ILE A 36 -1.293 -6.075 -7.518 1.00 0.00 H new ATOM 0 HA ILE A 36 1.220 -5.512 -8.856 1.00 0.00 H new ATOM 0 HB ILE A 36 1.947 -5.005 -6.459 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -1.021 -5.329 -5.906 1.00 0.00 H new ATOM 0 HG13 ILE A 36 0.202 -6.488 -5.423 1.00 0.00 H new ATOM 0 HG21 ILE A 36 0.679 -2.894 -6.358 1.00 0.00 H new ATOM 0 HG22 ILE A 36 1.229 -3.252 -8.012 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -0.470 -3.530 -7.559 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -0.394 -5.016 -3.563 1.00 0.00 H new ATOM 0 HD12 ILE A 36 1.304 -4.768 -4.037 1.00 0.00 H new ATOM 0 HD13 ILE A 36 0.062 -3.591 -4.527 1.00 0.00 H new ATOM 525 N ASP A 37 2.726 -7.197 -7.332 1.00 0.00 N ATOM 526 CA ASP A 37 3.499 -8.386 -6.989 1.00 0.00 C ATOM 527 C ASP A 37 2.743 -9.255 -5.990 1.00 0.00 C ATOM 528 O ASP A 37 2.696 -10.478 -6.126 1.00 0.00 O ATOM 529 CB ASP A 37 4.858 -7.987 -6.412 1.00 0.00 C ATOM 530 CG ASP A 37 5.519 -6.875 -7.203 1.00 0.00 C ATOM 531 OD1 ASP A 37 5.064 -5.718 -7.092 1.00 0.00 O ATOM 532 OD2 ASP A 37 6.491 -7.163 -7.933 1.00 0.00 O ATOM 0 H ASP A 37 3.258 -6.327 -7.312 1.00 0.00 H new ATOM 0 HA ASP A 37 3.656 -8.964 -7.900 1.00 0.00 H new ATOM 0 HB2 ASP A 37 4.731 -7.667 -5.378 1.00 0.00 H new ATOM 0 HB3 ASP A 37 5.513 -8.858 -6.398 1.00 0.00 H new ATOM 537 N CYS A 38 2.154 -8.617 -4.984 1.00 0.00 N ATOM 538 CA CYS A 38 1.402 -9.331 -3.960 1.00 0.00 C ATOM 539 C CYS A 38 0.180 -10.018 -4.562 1.00 0.00 C ATOM 540 O CYS A 38 -0.268 -11.054 -4.072 1.00 0.00 O ATOM 541 CB CYS A 38 0.965 -8.368 -2.854 1.00 0.00 C ATOM 542 SG CYS A 38 -0.660 -7.596 -3.139 1.00 0.00 S ATOM 0 H CYS A 38 2.183 -7.605 -4.856 1.00 0.00 H new ATOM 0 HA CYS A 38 2.053 -10.094 -3.533 1.00 0.00 H new ATOM 0 HB2 CYS A 38 0.938 -8.907 -1.907 1.00 0.00 H new ATOM 0 HB3 CYS A 38 1.715 -7.584 -2.753 1.00 0.00 H new ATOM 547 N GLY A 39 -0.356 -9.433 -5.630 1.00 0.00 N ATOM 548 CA GLY A 39 -1.520 -10.002 -6.282 1.00 0.00 C ATOM 549 C GLY A 39 -2.771 -9.174 -6.062 1.00 0.00 C ATOM 550 O GLY A 39 -3.491 -8.860 -7.010 1.00 0.00 O ATOM 0 H GLY A 39 -0.004 -8.575 -6.055 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -1.328 -10.087 -7.352 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -1.686 -11.012 -5.906 1.00 0.00 H new ATOM 554 N HIS A 40 -3.031 -8.821 -4.807 1.00 0.00 N ATOM 555 CA HIS A 40 -4.205 -8.025 -4.465 1.00 0.00 C ATOM 556 C HIS A 40 -4.471 -6.964 -5.529 1.00 0.00 C ATOM 557 O HIS A 40 -3.541 -6.414 -6.116 1.00 0.00 O ATOM 558 CB HIS A 40 -4.016 -7.360 -3.101 1.00 0.00 C ATOM 559 CG HIS A 40 -3.878 -8.336 -1.973 1.00 0.00 C ATOM 560 ND1 HIS A 40 -3.223 -8.039 -0.797 1.00 0.00 N ATOM 561 CD2 HIS A 40 -4.318 -9.609 -1.845 1.00 0.00 C ATOM 562 CE1 HIS A 40 -3.264 -9.088 0.005 1.00 0.00 C ATOM 563 NE2 HIS A 40 -3.923 -10.055 -0.608 1.00 0.00 N ATOM 0 H HIS A 40 -2.445 -9.073 -4.011 1.00 0.00 H new ATOM 0 HA HIS A 40 -5.066 -8.692 -4.420 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -3.129 -6.728 -3.134 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -4.866 -6.707 -2.904 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -4.876 -10.170 -2.580 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -2.832 -9.145 0.993 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -4.108 -10.982 -0.225 1.00 0.00 H new ATOM 571 N ASN A 41 -5.747 -6.684 -5.772 1.00 0.00 N ATOM 572 CA ASN A 41 -6.136 -5.691 -6.766 1.00 0.00 C ATOM 573 C ASN A 41 -6.608 -4.405 -6.094 1.00 0.00 C ATOM 574 O ASN A 41 -7.485 -4.429 -5.230 1.00 0.00 O ATOM 575 CB ASN A 41 -7.241 -6.245 -7.667 1.00 0.00 C ATOM 576 CG ASN A 41 -6.693 -7.083 -8.806 1.00 0.00 C ATOM 577 OD1 ASN A 41 -6.829 -6.725 -9.976 1.00 0.00 O ATOM 578 ND2 ASN A 41 -6.070 -8.206 -8.467 1.00 0.00 N ATOM 0 H ASN A 41 -6.529 -7.131 -5.294 1.00 0.00 H new ATOM 0 HA ASN A 41 -5.262 -5.462 -7.375 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -7.923 -6.850 -7.070 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -7.822 -5.418 -8.075 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -5.681 -8.811 -9.190 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -5.981 -8.463 -7.484 1.00 0.00 H new ATOM 585 N PHE A 42 -6.023 -3.283 -6.498 1.00 0.00 N ATOM 586 CA PHE A 42 -6.383 -1.986 -5.936 1.00 0.00 C ATOM 587 C PHE A 42 -6.845 -1.028 -7.030 1.00 0.00 C ATOM 588 O PHE A 42 -6.736 -1.327 -8.219 1.00 0.00 O ATOM 589 CB PHE A 42 -5.195 -1.385 -5.183 1.00 0.00 C ATOM 590 CG PHE A 42 -4.790 -2.175 -3.972 1.00 0.00 C ATOM 591 CD1 PHE A 42 -5.630 -2.265 -2.874 1.00 0.00 C ATOM 592 CD2 PHE A 42 -3.568 -2.828 -3.931 1.00 0.00 C ATOM 593 CE1 PHE A 42 -5.260 -2.992 -1.758 1.00 0.00 C ATOM 594 CE2 PHE A 42 -3.193 -3.557 -2.819 1.00 0.00 C ATOM 595 CZ PHE A 42 -4.040 -3.638 -1.730 1.00 0.00 C ATOM 0 H PHE A 42 -5.297 -3.245 -7.213 1.00 0.00 H new ATOM 0 HA PHE A 42 -7.207 -2.136 -5.239 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -4.344 -1.313 -5.861 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -5.446 -0.369 -4.877 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -6.585 -1.761 -2.890 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -2.901 -2.766 -4.778 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -5.924 -3.055 -0.909 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -2.239 -4.063 -2.801 1.00 0.00 H new ATOM 0 HZ PHE A 42 -3.748 -4.206 -0.859 1.00 0.00 H new ATOM 605 N CYS A 43 -7.362 0.125 -6.618 1.00 0.00 N ATOM 606 CA CYS A 43 -7.841 1.128 -7.561 1.00 0.00 C ATOM 607 C CYS A 43 -6.824 2.254 -7.722 1.00 0.00 C ATOM 608 O CYS A 43 -6.282 2.761 -6.739 1.00 0.00 O ATOM 609 CB CYS A 43 -9.181 1.699 -7.093 1.00 0.00 C ATOM 610 SG CYS A 43 -9.030 3.147 -5.998 1.00 0.00 S ATOM 0 H CYS A 43 -7.460 0.388 -5.637 1.00 0.00 H new ATOM 0 HA CYS A 43 -7.977 0.645 -8.529 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -9.770 1.977 -7.967 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -9.734 0.918 -6.571 1.00 0.00 H new ATOM 615 N LEU A 44 -6.571 2.642 -8.967 1.00 0.00 N ATOM 616 CA LEU A 44 -5.619 3.709 -9.258 1.00 0.00 C ATOM 617 C LEU A 44 -5.731 4.832 -8.232 1.00 0.00 C ATOM 618 O LEU A 44 -4.779 5.122 -7.506 1.00 0.00 O ATOM 619 CB LEU A 44 -5.857 4.261 -10.664 1.00 0.00 C ATOM 620 CG LEU A 44 -5.063 5.515 -11.035 1.00 0.00 C ATOM 621 CD1 LEU A 44 -3.718 5.137 -11.635 1.00 0.00 C ATOM 622 CD2 LEU A 44 -5.857 6.381 -12.003 1.00 0.00 C ATOM 0 H LEU A 44 -7.012 2.234 -9.791 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.614 3.291 -9.204 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -5.620 3.479 -11.385 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -6.919 4.482 -10.771 1.00 0.00 H new ATOM 0 HG LEU A 44 -4.883 6.090 -10.127 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -3.167 6.042 -11.893 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.146 4.558 -10.910 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -3.875 4.540 -12.533 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -5.277 7.269 -12.256 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -6.067 5.814 -12.910 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -6.795 6.681 -11.537 1.00 0.00 H new ATOM 634 N LYS A 45 -6.900 5.461 -8.175 1.00 0.00 N ATOM 635 CA LYS A 45 -7.139 6.550 -7.236 1.00 0.00 C ATOM 636 C LYS A 45 -6.459 6.275 -5.899 1.00 0.00 C ATOM 637 O LYS A 45 -5.964 7.191 -5.242 1.00 0.00 O ATOM 638 CB LYS A 45 -8.642 6.749 -7.025 1.00 0.00 C ATOM 639 CG LYS A 45 -9.411 6.985 -8.313 1.00 0.00 C ATOM 640 CD LYS A 45 -9.036 8.312 -8.952 1.00 0.00 C ATOM 641 CE LYS A 45 -9.901 9.447 -8.426 1.00 0.00 C ATOM 642 NZ LYS A 45 -9.283 10.117 -7.249 1.00 0.00 N ATOM 0 H LYS A 45 -7.698 5.235 -8.769 1.00 0.00 H new ATOM 0 HA LYS A 45 -6.714 7.460 -7.659 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -9.049 5.871 -6.524 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -8.798 7.597 -6.358 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -9.209 6.174 -9.012 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -10.481 6.969 -8.107 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -7.987 8.530 -8.752 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -9.146 8.240 -10.034 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -10.060 10.179 -9.218 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -10.881 9.058 -8.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -9.599 11.107 -7.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -9.571 9.625 -6.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -8.247 10.087 -7.337 1.00 0.00 H new ATOM 656 N CYS A 46 -6.437 5.007 -5.501 1.00 0.00 N ATOM 657 CA CYS A 46 -5.817 4.610 -4.243 1.00 0.00 C ATOM 658 C CYS A 46 -4.314 4.411 -4.416 1.00 0.00 C ATOM 659 O CYS A 46 -3.511 5.165 -3.866 1.00 0.00 O ATOM 660 CB CYS A 46 -6.456 3.322 -3.720 1.00 0.00 C ATOM 661 SG CYS A 46 -7.848 3.594 -2.576 1.00 0.00 S ATOM 0 H CYS A 46 -6.842 4.236 -6.033 1.00 0.00 H new ATOM 0 HA CYS A 46 -5.979 5.409 -3.519 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -6.806 2.733 -4.567 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -5.693 2.730 -3.213 1.00 0.00 H new ATOM 666 N ILE A 47 -3.942 3.392 -5.183 1.00 0.00 N ATOM 667 CA ILE A 47 -2.537 3.095 -5.429 1.00 0.00 C ATOM 668 C ILE A 47 -1.732 4.375 -5.631 1.00 0.00 C ATOM 669 O ILE A 47 -0.693 4.575 -4.999 1.00 0.00 O ATOM 670 CB ILE A 47 -2.360 2.192 -6.664 1.00 0.00 C ATOM 671 CG1 ILE A 47 -3.085 0.860 -6.456 1.00 0.00 C ATOM 672 CG2 ILE A 47 -0.883 1.959 -6.943 1.00 0.00 C ATOM 673 CD1 ILE A 47 -3.129 -0.003 -7.697 1.00 0.00 C ATOM 0 H ILE A 47 -4.594 2.758 -5.645 1.00 0.00 H new ATOM 0 HA ILE A 47 -2.167 2.570 -4.548 1.00 0.00 H new ATOM 0 HB ILE A 47 -2.798 2.692 -7.528 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -2.591 0.308 -5.656 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -4.104 1.058 -6.124 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -0.775 1.319 -7.819 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -0.393 2.915 -7.129 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -0.422 1.476 -6.081 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -3.657 -0.931 -7.477 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -3.649 0.530 -8.493 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -2.113 -0.232 -8.017 1.00 0.00 H new ATOM 685 N THR A 48 -2.219 5.241 -6.514 1.00 0.00 N ATOM 686 CA THR A 48 -1.546 6.502 -6.798 1.00 0.00 C ATOM 687 C THR A 48 -1.531 7.407 -5.571 1.00 0.00 C ATOM 688 O THR A 48 -0.503 7.994 -5.235 1.00 0.00 O ATOM 689 CB THR A 48 -2.221 7.249 -7.964 1.00 0.00 C ATOM 690 OG1 THR A 48 -2.264 6.410 -9.124 1.00 0.00 O ATOM 691 CG2 THR A 48 -1.475 8.534 -8.289 1.00 0.00 C ATOM 0 H THR A 48 -3.077 5.092 -7.045 1.00 0.00 H new ATOM 0 HA THR A 48 -0.521 6.257 -7.077 1.00 0.00 H new ATOM 0 HB THR A 48 -3.237 7.504 -7.662 1.00 0.00 H new ATOM 0 HG1 THR A 48 -2.696 6.891 -9.860 1.00 0.00 H new ATOM 0 HG21 THR A 48 -1.971 9.043 -9.115 1.00 0.00 H new ATOM 0 HG22 THR A 48 -1.470 9.183 -7.413 1.00 0.00 H new ATOM 0 HG23 THR A 48 -0.449 8.298 -8.572 1.00 0.00 H new ATOM 699 N GLN A 49 -2.677 7.513 -4.906 1.00 0.00 N ATOM 700 CA GLN A 49 -2.794 8.347 -3.716 1.00 0.00 C ATOM 701 C GLN A 49 -1.716 7.994 -2.696 1.00 0.00 C ATOM 702 O GLN A 49 -0.936 8.852 -2.282 1.00 0.00 O ATOM 703 CB GLN A 49 -4.179 8.184 -3.088 1.00 0.00 C ATOM 704 CG GLN A 49 -4.351 8.949 -1.786 1.00 0.00 C ATOM 705 CD GLN A 49 -3.795 8.201 -0.591 1.00 0.00 C ATOM 706 OE1 GLN A 49 -2.715 8.518 -0.092 1.00 0.00 O ATOM 707 NE2 GLN A 49 -4.532 7.200 -0.123 1.00 0.00 N ATOM 0 H GLN A 49 -3.537 7.032 -5.171 1.00 0.00 H new ATOM 0 HA GLN A 49 -2.659 9.386 -4.016 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -4.933 8.520 -3.800 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -4.363 7.125 -2.905 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -3.853 9.915 -1.868 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -5.410 9.149 -1.624 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -5.421 6.971 -0.567 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -4.209 6.661 0.680 1.00 0.00 H new ATOM 716 N ILE A 50 -1.679 6.728 -2.295 1.00 0.00 N ATOM 717 CA ILE A 50 -0.696 6.263 -1.325 1.00 0.00 C ATOM 718 C ILE A 50 0.665 6.907 -1.569 1.00 0.00 C ATOM 719 O ILE A 50 1.275 7.459 -0.654 1.00 0.00 O ATOM 720 CB ILE A 50 -0.542 4.731 -1.369 1.00 0.00 C ATOM 721 CG1 ILE A 50 -1.866 4.053 -1.013 1.00 0.00 C ATOM 722 CG2 ILE A 50 0.561 4.282 -0.422 1.00 0.00 C ATOM 723 CD1 ILE A 50 -1.931 2.599 -1.425 1.00 0.00 C ATOM 0 H ILE A 50 -2.318 6.006 -2.627 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.062 6.555 -0.341 1.00 0.00 H new ATOM 0 HB ILE A 50 -0.266 4.437 -2.382 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -2.024 4.125 0.063 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -2.682 4.594 -1.491 1.00 0.00 H new ATOM 0 HG21 ILE A 50 0.658 3.197 -0.464 1.00 0.00 H new ATOM 0 HG22 ILE A 50 1.504 4.742 -0.717 1.00 0.00 H new ATOM 0 HG23 ILE A 50 0.313 4.585 0.595 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -2.898 2.183 -1.141 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -1.805 2.521 -2.505 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -1.137 2.044 -0.926 1.00 0.00 H new ATOM 735 N GLY A 51 1.134 6.833 -2.811 1.00 0.00 N ATOM 736 CA GLY A 51 2.419 7.414 -3.154 1.00 0.00 C ATOM 737 C GLY A 51 2.292 8.827 -3.688 1.00 0.00 C ATOM 738 O GLY A 51 1.692 9.048 -4.739 1.00 0.00 O ATOM 0 H GLY A 51 0.647 6.381 -3.585 1.00 0.00 H new ATOM 0 HA2 GLY A 51 3.059 7.418 -2.272 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.909 6.789 -3.901 1.00 0.00 H new ATOM 742 N GLU A 52 2.857 9.786 -2.961 1.00 0.00 N ATOM 743 CA GLU A 52 2.802 11.185 -3.368 1.00 0.00 C ATOM 744 C GLU A 52 3.224 11.345 -4.825 1.00 0.00 C ATOM 745 O GLU A 52 3.597 10.375 -5.486 1.00 0.00 O ATOM 746 CB GLU A 52 3.700 12.037 -2.468 1.00 0.00 C ATOM 747 CG GLU A 52 3.241 12.086 -1.021 1.00 0.00 C ATOM 748 CD GLU A 52 3.920 13.188 -0.231 1.00 0.00 C ATOM 749 OE1 GLU A 52 3.752 14.370 -0.597 1.00 0.00 O ATOM 750 OE2 GLU A 52 4.619 12.869 0.753 1.00 0.00 O ATOM 0 H GLU A 52 3.358 9.620 -2.088 1.00 0.00 H new ATOM 0 HA GLU A 52 1.772 11.526 -3.267 1.00 0.00 H new ATOM 0 HB2 GLU A 52 4.716 11.643 -2.505 1.00 0.00 H new ATOM 0 HB3 GLU A 52 3.737 13.052 -2.863 1.00 0.00 H new ATOM 0 HG2 GLU A 52 2.162 12.235 -0.991 1.00 0.00 H new ATOM 0 HG3 GLU A 52 3.444 11.126 -0.547 1.00 0.00 H new ATOM 757 N THR A 53 3.163 12.577 -5.321 1.00 0.00 N ATOM 758 CA THR A 53 3.537 12.865 -6.700 1.00 0.00 C ATOM 759 C THR A 53 4.706 11.994 -7.146 1.00 0.00 C ATOM 760 O THR A 53 4.673 11.399 -8.223 1.00 0.00 O ATOM 761 CB THR A 53 3.917 14.347 -6.881 1.00 0.00 C ATOM 762 OG1 THR A 53 4.991 14.689 -5.997 1.00 0.00 O ATOM 763 CG2 THR A 53 2.723 15.249 -6.609 1.00 0.00 C ATOM 0 H THR A 53 2.858 13.391 -4.788 1.00 0.00 H new ATOM 0 HA THR A 53 2.666 12.643 -7.317 1.00 0.00 H new ATOM 0 HB THR A 53 4.236 14.494 -7.913 1.00 0.00 H new ATOM 0 HG1 THR A 53 5.228 15.632 -6.119 1.00 0.00 H new ATOM 0 HG21 THR A 53 3.016 16.290 -6.743 1.00 0.00 H new ATOM 0 HG22 THR A 53 1.918 15.006 -7.303 1.00 0.00 H new ATOM 0 HG23 THR A 53 2.378 15.098 -5.586 1.00 0.00 H new ATOM 771 N SER A 54 5.738 11.924 -6.312 1.00 0.00 N ATOM 772 CA SER A 54 6.919 11.127 -6.622 1.00 0.00 C ATOM 773 C SER A 54 7.074 9.977 -5.632 1.00 0.00 C ATOM 774 O SER A 54 7.210 10.194 -4.428 1.00 0.00 O ATOM 775 CB SER A 54 8.172 12.005 -6.602 1.00 0.00 C ATOM 776 OG SER A 54 9.341 11.230 -6.804 1.00 0.00 O ATOM 0 H SER A 54 5.780 12.410 -5.416 1.00 0.00 H new ATOM 0 HA SER A 54 6.793 10.709 -7.621 1.00 0.00 H new ATOM 0 HB2 SER A 54 8.098 12.767 -7.378 1.00 0.00 H new ATOM 0 HB3 SER A 54 8.239 12.527 -5.648 1.00 0.00 H new ATOM 0 HG SER A 54 10.128 11.814 -6.788 1.00 0.00 H new ATOM 782 N CYS A 55 7.052 8.753 -6.149 1.00 0.00 N ATOM 783 CA CYS A 55 7.190 7.567 -5.312 1.00 0.00 C ATOM 784 C CYS A 55 7.398 6.320 -6.165 1.00 0.00 C ATOM 785 O CYS A 55 6.743 6.141 -7.191 1.00 0.00 O ATOM 786 CB CYS A 55 5.953 7.394 -4.429 1.00 0.00 C ATOM 787 SG CYS A 55 5.958 5.882 -3.438 1.00 0.00 S ATOM 0 H CYS A 55 6.940 8.557 -7.144 1.00 0.00 H new ATOM 0 HA CYS A 55 8.066 7.701 -4.677 1.00 0.00 H new ATOM 0 HB2 CYS A 55 5.873 8.252 -3.762 1.00 0.00 H new ATOM 0 HB3 CYS A 55 5.065 7.398 -5.061 1.00 0.00 H new ATOM 0 HG CYS A 55 4.873 5.827 -2.724 1.00 0.00 H new ATOM 793 N GLY A 56 8.316 5.461 -5.734 1.00 0.00 N ATOM 794 CA GLY A 56 8.596 4.242 -6.471 1.00 0.00 C ATOM 795 C GLY A 56 7.831 3.050 -5.932 1.00 0.00 C ATOM 796 O GLY A 56 6.678 2.824 -6.302 1.00 0.00 O ATOM 0 H GLY A 56 8.871 5.587 -4.888 1.00 0.00 H new ATOM 0 HA2 GLY A 56 8.341 4.389 -7.521 1.00 0.00 H new ATOM 0 HA3 GLY A 56 9.665 4.033 -6.429 1.00 0.00 H new ATOM 800 N PHE A 57 8.473 2.283 -5.057 1.00 0.00 N ATOM 801 CA PHE A 57 7.846 1.105 -4.469 1.00 0.00 C ATOM 802 C PHE A 57 7.031 1.482 -3.235 1.00 0.00 C ATOM 803 O PHE A 57 7.445 2.324 -2.437 1.00 0.00 O ATOM 804 CB PHE A 57 8.908 0.069 -4.096 1.00 0.00 C ATOM 805 CG PHE A 57 10.113 0.661 -3.422 1.00 0.00 C ATOM 806 CD1 PHE A 57 11.136 1.220 -4.170 1.00 0.00 C ATOM 807 CD2 PHE A 57 10.222 0.658 -2.041 1.00 0.00 C ATOM 808 CE1 PHE A 57 12.246 1.766 -3.553 1.00 0.00 C ATOM 809 CE2 PHE A 57 11.329 1.203 -1.418 1.00 0.00 C ATOM 810 CZ PHE A 57 12.343 1.756 -2.175 1.00 0.00 C ATOM 0 H PHE A 57 9.427 2.456 -4.740 1.00 0.00 H new ATOM 0 HA PHE A 57 7.173 0.674 -5.210 1.00 0.00 H new ATOM 0 HB2 PHE A 57 8.462 -0.675 -3.436 1.00 0.00 H new ATOM 0 HB3 PHE A 57 9.226 -0.454 -4.998 1.00 0.00 H new ATOM 0 HD1 PHE A 57 11.066 1.229 -5.248 1.00 0.00 H new ATOM 0 HD2 PHE A 57 9.433 0.225 -1.444 1.00 0.00 H new ATOM 0 HE1 PHE A 57 13.036 2.200 -4.148 1.00 0.00 H new ATOM 0 HE2 PHE A 57 11.401 1.196 -0.340 1.00 0.00 H new ATOM 0 HZ PHE A 57 13.210 2.180 -1.691 1.00 0.00 H new ATOM 820 N PHE A 58 5.871 0.852 -3.084 1.00 0.00 N ATOM 821 CA PHE A 58 4.996 1.122 -1.949 1.00 0.00 C ATOM 822 C PHE A 58 4.467 -0.178 -1.350 1.00 0.00 C ATOM 823 O PHE A 58 3.988 -1.056 -2.067 1.00 0.00 O ATOM 824 CB PHE A 58 3.828 2.012 -2.378 1.00 0.00 C ATOM 825 CG PHE A 58 2.831 1.311 -3.255 1.00 0.00 C ATOM 826 CD1 PHE A 58 3.015 1.253 -4.627 1.00 0.00 C ATOM 827 CD2 PHE A 58 1.709 0.710 -2.707 1.00 0.00 C ATOM 828 CE1 PHE A 58 2.099 0.608 -5.437 1.00 0.00 C ATOM 829 CE2 PHE A 58 0.790 0.064 -3.512 1.00 0.00 C ATOM 830 CZ PHE A 58 0.984 0.014 -4.878 1.00 0.00 C ATOM 0 H PHE A 58 5.515 0.151 -3.733 1.00 0.00 H new ATOM 0 HA PHE A 58 5.578 1.642 -1.188 1.00 0.00 H new ATOM 0 HB2 PHE A 58 3.319 2.384 -1.489 1.00 0.00 H new ATOM 0 HB3 PHE A 58 4.219 2.880 -2.908 1.00 0.00 H new ATOM 0 HD1 PHE A 58 3.884 1.717 -5.069 1.00 0.00 H new ATOM 0 HD2 PHE A 58 1.551 0.747 -1.639 1.00 0.00 H new ATOM 0 HE1 PHE A 58 2.255 0.569 -6.505 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -0.080 -0.402 -3.073 1.00 0.00 H new ATOM 0 HZ PHE A 58 0.265 -0.489 -5.508 1.00 0.00 H new ATOM 840 N LYS A 59 4.557 -0.293 -0.029 1.00 0.00 N ATOM 841 CA LYS A 59 4.087 -1.484 0.669 1.00 0.00 C ATOM 842 C LYS A 59 2.573 -1.621 0.553 1.00 0.00 C ATOM 843 O LYS A 59 1.831 -0.673 0.816 1.00 0.00 O ATOM 844 CB LYS A 59 4.493 -1.429 2.144 1.00 0.00 C ATOM 845 CG LYS A 59 3.719 -0.401 2.950 1.00 0.00 C ATOM 846 CD LYS A 59 4.131 -0.414 4.413 1.00 0.00 C ATOM 847 CE LYS A 59 3.459 -1.548 5.171 1.00 0.00 C ATOM 848 NZ LYS A 59 2.025 -1.258 5.448 1.00 0.00 N ATOM 0 H LYS A 59 4.951 0.424 0.580 1.00 0.00 H new ATOM 0 HA LYS A 59 4.550 -2.354 0.203 1.00 0.00 H new ATOM 0 HB2 LYS A 59 4.346 -2.413 2.589 1.00 0.00 H new ATOM 0 HB3 LYS A 59 5.557 -1.204 2.211 1.00 0.00 H new ATOM 0 HG2 LYS A 59 3.887 0.592 2.533 1.00 0.00 H new ATOM 0 HG3 LYS A 59 2.651 -0.604 2.870 1.00 0.00 H new ATOM 0 HD2 LYS A 59 5.214 -0.517 4.486 1.00 0.00 H new ATOM 0 HD3 LYS A 59 3.870 0.538 4.874 1.00 0.00 H new ATOM 0 HE2 LYS A 59 3.538 -2.468 4.592 1.00 0.00 H new ATOM 0 HE3 LYS A 59 3.983 -1.717 6.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 1.643 -1.979 6.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 1.939 -0.319 5.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 1.489 -1.273 4.557 1.00 0.00 H new ATOM 862 N CYS A 60 2.119 -2.806 0.159 1.00 0.00 N ATOM 863 CA CYS A 60 0.692 -3.068 0.009 1.00 0.00 C ATOM 864 C CYS A 60 -0.043 -2.845 1.327 1.00 0.00 C ATOM 865 O CYS A 60 0.416 -3.245 2.398 1.00 0.00 O ATOM 866 CB CYS A 60 0.464 -4.499 -0.480 1.00 0.00 C ATOM 867 SG CYS A 60 -1.289 -4.986 -0.563 1.00 0.00 S ATOM 0 H CYS A 60 2.719 -3.601 -0.062 1.00 0.00 H new ATOM 0 HA CYS A 60 0.295 -2.372 -0.730 1.00 0.00 H new ATOM 0 HB2 CYS A 60 0.908 -4.608 -1.470 1.00 0.00 H new ATOM 0 HB3 CYS A 60 0.990 -5.186 0.183 1.00 0.00 H new ATOM 872 N PRO A 61 -1.212 -2.193 1.250 1.00 0.00 N ATOM 873 CA PRO A 61 -2.037 -1.903 2.427 1.00 0.00 C ATOM 874 C PRO A 61 -2.666 -3.160 3.018 1.00 0.00 C ATOM 875 O PRO A 61 -2.807 -3.283 4.235 1.00 0.00 O ATOM 876 CB PRO A 61 -3.120 -0.970 1.880 1.00 0.00 C ATOM 877 CG PRO A 61 -3.210 -1.302 0.431 1.00 0.00 C ATOM 878 CD PRO A 61 -1.820 -1.688 0.007 1.00 0.00 C ATOM 0 HA PRO A 61 -1.452 -1.470 3.238 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -4.073 -1.132 2.383 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -2.854 0.076 2.031 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -3.911 -2.119 0.261 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -3.570 -0.448 -0.143 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -1.835 -2.450 -0.772 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -1.270 -0.835 -0.392 1.00 0.00 H new ATOM 886 N LEU A 62 -3.042 -4.092 2.149 1.00 0.00 N ATOM 887 CA LEU A 62 -3.657 -5.341 2.585 1.00 0.00 C ATOM 888 C LEU A 62 -2.629 -6.248 3.254 1.00 0.00 C ATOM 889 O LEU A 62 -2.833 -6.714 4.376 1.00 0.00 O ATOM 890 CB LEU A 62 -4.292 -6.063 1.395 1.00 0.00 C ATOM 891 CG LEU A 62 -5.715 -5.636 1.033 1.00 0.00 C ATOM 892 CD1 LEU A 62 -6.078 -6.117 -0.363 1.00 0.00 C ATOM 893 CD2 LEU A 62 -6.708 -6.168 2.057 1.00 0.00 C ATOM 0 H LEU A 62 -2.932 -4.006 1.139 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.433 -5.101 3.312 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.656 -5.913 0.523 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -4.297 -7.133 1.605 1.00 0.00 H new ATOM 0 HG LEU A 62 -5.761 -4.547 1.043 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -7.094 -5.804 -0.603 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -5.385 -5.688 -1.087 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -6.015 -7.205 -0.401 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -7.716 -5.855 1.784 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -6.660 -7.257 2.079 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -6.460 -5.774 3.043 1.00 0.00 H new ATOM 905 N CYS A 63 -1.523 -6.494 2.560 1.00 0.00 N ATOM 906 CA CYS A 63 -0.462 -7.344 3.087 1.00 0.00 C ATOM 907 C CYS A 63 0.843 -6.564 3.223 1.00 0.00 C ATOM 908 O CYS A 63 1.105 -5.633 2.460 1.00 0.00 O ATOM 909 CB CYS A 63 -0.252 -8.556 2.178 1.00 0.00 C ATOM 910 SG CYS A 63 0.239 -8.133 0.476 1.00 0.00 S ATOM 0 H CYS A 63 -1.338 -6.116 1.631 1.00 0.00 H new ATOM 0 HA CYS A 63 -0.764 -7.688 4.076 1.00 0.00 H new ATOM 0 HB2 CYS A 63 0.513 -9.197 2.616 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -1.174 -9.136 2.145 1.00 0.00 H new ATOM 915 N LYS A 64 1.658 -6.950 4.198 1.00 0.00 N ATOM 916 CA LYS A 64 2.936 -6.290 4.435 1.00 0.00 C ATOM 917 C LYS A 64 4.073 -7.048 3.758 1.00 0.00 C ATOM 918 O LYS A 64 5.137 -7.248 4.345 1.00 0.00 O ATOM 919 CB LYS A 64 3.206 -6.178 5.937 1.00 0.00 C ATOM 920 CG LYS A 64 2.655 -4.908 6.561 1.00 0.00 C ATOM 921 CD LYS A 64 2.880 -4.882 8.064 1.00 0.00 C ATOM 922 CE LYS A 64 2.347 -3.600 8.685 1.00 0.00 C ATOM 923 NZ LYS A 64 0.859 -3.553 8.669 1.00 0.00 N ATOM 0 H LYS A 64 1.456 -7.718 4.838 1.00 0.00 H new ATOM 0 HA LYS A 64 2.884 -5.289 4.007 1.00 0.00 H new ATOM 0 HB2 LYS A 64 2.769 -7.040 6.441 1.00 0.00 H new ATOM 0 HB3 LYS A 64 4.282 -6.220 6.108 1.00 0.00 H new ATOM 0 HG2 LYS A 64 3.133 -4.041 6.106 1.00 0.00 H new ATOM 0 HG3 LYS A 64 1.588 -4.831 6.350 1.00 0.00 H new ATOM 0 HD2 LYS A 64 2.389 -5.741 8.521 1.00 0.00 H new ATOM 0 HD3 LYS A 64 3.945 -4.974 8.275 1.00 0.00 H new ATOM 0 HE2 LYS A 64 2.702 -3.519 9.712 1.00 0.00 H new ATOM 0 HE3 LYS A 64 2.743 -2.742 8.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 0.533 -2.714 9.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 0.524 -3.502 7.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 0.480 -4.410 9.120 1.00 0.00 H new ATOM 937 N THR A 65 3.843 -7.468 2.517 1.00 0.00 N ATOM 938 CA THR A 65 4.848 -8.204 1.761 1.00 0.00 C ATOM 939 C THR A 65 5.896 -7.262 1.178 1.00 0.00 C ATOM 940 O THR A 65 5.735 -6.042 1.211 1.00 0.00 O ATOM 941 CB THR A 65 4.209 -9.013 0.617 1.00 0.00 C ATOM 942 OG1 THR A 65 3.716 -8.128 -0.394 1.00 0.00 O ATOM 943 CG2 THR A 65 3.072 -9.880 1.137 1.00 0.00 C ATOM 0 H THR A 65 2.969 -7.311 2.015 1.00 0.00 H new ATOM 0 HA THR A 65 5.328 -8.891 2.458 1.00 0.00 H new ATOM 0 HB THR A 65 4.974 -9.661 0.190 1.00 0.00 H new ATOM 0 HG1 THR A 65 2.752 -7.997 -0.272 1.00 0.00 H new ATOM 0 HG21 THR A 65 2.636 -10.442 0.311 1.00 0.00 H new ATOM 0 HG22 THR A 65 3.456 -10.573 1.885 1.00 0.00 H new ATOM 0 HG23 THR A 65 2.308 -9.246 1.588 1.00 0.00 H new ATOM 951 N SER A 66 6.969 -7.837 0.643 1.00 0.00 N ATOM 952 CA SER A 66 8.045 -7.048 0.055 1.00 0.00 C ATOM 953 C SER A 66 7.840 -6.885 -1.448 1.00 0.00 C ATOM 954 O SER A 66 8.338 -7.682 -2.244 1.00 0.00 O ATOM 955 CB SER A 66 9.398 -7.707 0.329 1.00 0.00 C ATOM 956 OG SER A 66 10.466 -6.861 -0.061 1.00 0.00 O ATOM 0 H SER A 66 7.116 -8.846 0.605 1.00 0.00 H new ATOM 0 HA SER A 66 8.031 -6.060 0.515 1.00 0.00 H new ATOM 0 HB2 SER A 66 9.484 -7.941 1.390 1.00 0.00 H new ATOM 0 HB3 SER A 66 9.462 -8.651 -0.211 1.00 0.00 H new ATOM 0 HG SER A 66 11.320 -7.305 0.126 1.00 0.00 H new ATOM 962 N VAL A 67 7.104 -5.847 -1.830 1.00 0.00 N ATOM 963 CA VAL A 67 6.833 -5.578 -3.237 1.00 0.00 C ATOM 964 C VAL A 67 7.486 -4.274 -3.683 1.00 0.00 C ATOM 965 O VAL A 67 7.558 -3.311 -2.919 1.00 0.00 O ATOM 966 CB VAL A 67 5.320 -5.502 -3.514 1.00 0.00 C ATOM 967 CG1 VAL A 67 4.640 -6.806 -3.126 1.00 0.00 C ATOM 968 CG2 VAL A 67 4.702 -4.327 -2.771 1.00 0.00 C ATOM 0 H VAL A 67 6.684 -5.178 -1.184 1.00 0.00 H new ATOM 0 HA VAL A 67 7.257 -6.407 -3.804 1.00 0.00 H new ATOM 0 HB VAL A 67 5.171 -5.347 -4.582 1.00 0.00 H new ATOM 0 HG11 VAL A 67 3.571 -6.734 -3.329 1.00 0.00 H new ATOM 0 HG12 VAL A 67 5.065 -7.625 -3.707 1.00 0.00 H new ATOM 0 HG13 VAL A 67 4.796 -6.996 -2.064 1.00 0.00 H new ATOM 0 HG21 VAL A 67 3.632 -4.288 -2.978 1.00 0.00 H new ATOM 0 HG22 VAL A 67 4.860 -4.450 -1.700 1.00 0.00 H new ATOM 0 HG23 VAL A 67 5.170 -3.400 -3.103 1.00 0.00 H new ATOM 978 N ARG A 68 7.961 -4.250 -4.924 1.00 0.00 N ATOM 979 CA ARG A 68 8.608 -3.065 -5.472 1.00 0.00 C ATOM 980 C ARG A 68 8.139 -2.799 -6.899 1.00 0.00 C ATOM 981 O ARG A 68 7.822 -3.727 -7.644 1.00 0.00 O ATOM 982 CB ARG A 68 10.129 -3.231 -5.447 1.00 0.00 C ATOM 983 CG ARG A 68 10.759 -2.874 -4.110 1.00 0.00 C ATOM 984 CD ARG A 68 12.050 -3.643 -3.880 1.00 0.00 C ATOM 985 NE ARG A 68 12.488 -3.572 -2.488 1.00 0.00 N ATOM 986 CZ ARG A 68 13.454 -4.331 -1.982 1.00 0.00 C ATOM 987 NH1 ARG A 68 14.079 -5.214 -2.750 1.00 0.00 N ATOM 988 NH2 ARG A 68 13.797 -4.208 -0.706 1.00 0.00 N ATOM 0 H ARG A 68 7.910 -5.039 -5.569 1.00 0.00 H new ATOM 0 HA ARG A 68 8.331 -2.212 -4.852 1.00 0.00 H new ATOM 0 HB2 ARG A 68 10.377 -4.264 -5.692 1.00 0.00 H new ATOM 0 HB3 ARG A 68 10.567 -2.605 -6.224 1.00 0.00 H new ATOM 0 HG2 ARG A 68 10.961 -1.803 -4.076 1.00 0.00 H new ATOM 0 HG3 ARG A 68 10.056 -3.092 -3.306 1.00 0.00 H new ATOM 0 HD2 ARG A 68 11.906 -4.686 -4.162 1.00 0.00 H new ATOM 0 HD3 ARG A 68 12.831 -3.243 -4.527 1.00 0.00 H new ATOM 0 HE ARG A 68 12.027 -2.903 -1.871 1.00 0.00 H new ATOM 0 HH11 ARG A 68 13.818 -5.311 -3.731 1.00 0.00 H new ATOM 0 HH12 ARG A 68 14.820 -5.795 -2.359 1.00 0.00 H new ATOM 0 HH21 ARG A 68 13.319 -3.530 -0.112 1.00 0.00 H new ATOM 0 HH22 ARG A 68 14.539 -4.791 -0.319 1.00 0.00 H new ATOM 1002 N LYS A 69 8.095 -1.525 -7.274 1.00 0.00 N ATOM 1003 CA LYS A 69 7.665 -1.135 -8.612 1.00 0.00 C ATOM 1004 C LYS A 69 8.866 -0.851 -9.509 1.00 0.00 C ATOM 1005 O LYS A 69 9.429 0.242 -9.480 1.00 0.00 O ATOM 1006 CB LYS A 69 6.765 0.101 -8.541 1.00 0.00 C ATOM 1007 CG LYS A 69 5.732 0.166 -9.652 1.00 0.00 C ATOM 1008 CD LYS A 69 5.053 1.524 -9.703 1.00 0.00 C ATOM 1009 CE LYS A 69 3.973 1.648 -8.639 1.00 0.00 C ATOM 1010 NZ LYS A 69 2.656 1.148 -9.124 1.00 0.00 N ATOM 0 H LYS A 69 8.352 -0.744 -6.670 1.00 0.00 H new ATOM 0 HA LYS A 69 7.101 -1.964 -9.041 1.00 0.00 H new ATOM 0 HB2 LYS A 69 6.253 0.112 -7.579 1.00 0.00 H new ATOM 0 HB3 LYS A 69 7.387 0.995 -8.582 1.00 0.00 H new ATOM 0 HG2 LYS A 69 6.212 -0.038 -10.609 1.00 0.00 H new ATOM 0 HG3 LYS A 69 4.983 -0.611 -9.499 1.00 0.00 H new ATOM 0 HD2 LYS A 69 5.796 2.309 -9.562 1.00 0.00 H new ATOM 0 HD3 LYS A 69 4.613 1.675 -10.689 1.00 0.00 H new ATOM 0 HE2 LYS A 69 4.270 1.087 -7.753 1.00 0.00 H new ATOM 0 HE3 LYS A 69 3.877 2.691 -8.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 1.947 1.250 -8.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 2.360 1.699 -9.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 2.741 0.145 -9.387 1.00 0.00 H new ATOM 1024 N ASN A 70 9.252 -1.843 -10.305 1.00 0.00 N ATOM 1025 CA ASN A 70 10.386 -1.699 -11.211 1.00 0.00 C ATOM 1026 C ASN A 70 10.029 -2.188 -12.611 1.00 0.00 C ATOM 1027 O ASN A 70 10.826 -2.856 -13.268 1.00 0.00 O ATOM 1028 CB ASN A 70 11.592 -2.475 -10.679 1.00 0.00 C ATOM 1029 CG ASN A 70 11.959 -2.075 -9.263 1.00 0.00 C ATOM 1030 OD1 ASN A 70 11.858 -2.877 -8.334 1.00 0.00 O ATOM 1031 ND2 ASN A 70 12.387 -0.830 -9.092 1.00 0.00 N ATOM 0 H ASN A 70 8.796 -2.755 -10.341 1.00 0.00 H new ATOM 0 HA ASN A 70 10.641 -0.641 -11.269 1.00 0.00 H new ATOM 0 HB2 ASN A 70 11.375 -3.543 -10.707 1.00 0.00 H new ATOM 0 HB3 ASN A 70 12.447 -2.306 -11.334 1.00 0.00 H new ATOM 0 HD21 ASN A 70 12.648 -0.504 -8.162 1.00 0.00 H new ATOM 0 HD22 ASN A 70 12.455 -0.200 -9.891 1.00 0.00 H new ATOM 1038 N ALA A 71 8.825 -1.850 -13.061 1.00 0.00 N ATOM 1039 CA ALA A 71 8.363 -2.252 -14.384 1.00 0.00 C ATOM 1040 C ALA A 71 7.363 -1.247 -14.945 1.00 0.00 C ATOM 1041 O ALA A 71 6.250 -1.113 -14.436 1.00 0.00 O ATOM 1042 CB ALA A 71 7.743 -3.640 -14.327 1.00 0.00 C ATOM 0 H ALA A 71 8.152 -1.299 -12.529 1.00 0.00 H new ATOM 0 HA ALA A 71 9.225 -2.278 -15.050 1.00 0.00 H new ATOM 0 HB1 ALA A 71 7.402 -3.927 -15.322 1.00 0.00 H new ATOM 0 HB2 ALA A 71 8.486 -4.356 -13.977 1.00 0.00 H new ATOM 0 HB3 ALA A 71 6.896 -3.632 -13.642 1.00 0.00 H new ATOM 1048 N ILE A 72 7.767 -0.541 -15.997 1.00 0.00 N ATOM 1049 CA ILE A 72 6.906 0.451 -16.627 1.00 0.00 C ATOM 1050 C ILE A 72 5.943 -0.202 -17.612 1.00 0.00 C ATOM 1051 O ILE A 72 6.115 -1.362 -17.987 1.00 0.00 O ATOM 1052 CB ILE A 72 7.729 1.523 -17.365 1.00 0.00 C ATOM 1053 CG1 ILE A 72 8.559 0.882 -18.480 1.00 0.00 C ATOM 1054 CG2 ILE A 72 8.628 2.267 -16.389 1.00 0.00 C ATOM 1055 CD1 ILE A 72 7.777 0.639 -19.752 1.00 0.00 C ATOM 0 H ILE A 72 8.685 -0.638 -16.430 1.00 0.00 H new ATOM 0 HA ILE A 72 6.337 0.927 -15.828 1.00 0.00 H new ATOM 0 HB ILE A 72 7.043 2.240 -17.815 1.00 0.00 H new ATOM 0 HG12 ILE A 72 9.410 1.525 -18.704 1.00 0.00 H new ATOM 0 HG13 ILE A 72 8.961 -0.066 -18.123 1.00 0.00 H new ATOM 0 HG21 ILE A 72 9.203 3.021 -16.926 1.00 0.00 H new ATOM 0 HG22 ILE A 72 8.016 2.751 -15.628 1.00 0.00 H new ATOM 0 HG23 ILE A 72 9.310 1.562 -15.913 1.00 0.00 H new ATOM 0 HD11 ILE A 72 8.428 0.183 -20.498 1.00 0.00 H new ATOM 0 HD12 ILE A 72 6.941 -0.029 -19.543 1.00 0.00 H new ATOM 0 HD13 ILE A 72 7.398 1.587 -20.133 1.00 0.00 H new ATOM 1067 N ARG A 73 4.930 0.550 -18.028 1.00 0.00 N ATOM 1068 CA ARG A 73 3.939 0.044 -18.971 1.00 0.00 C ATOM 1069 C ARG A 73 4.566 -0.200 -20.340 1.00 0.00 C ATOM 1070 O ARG A 73 4.129 -1.075 -21.087 1.00 0.00 O ATOM 1071 CB ARG A 73 2.776 1.030 -19.099 1.00 0.00 C ATOM 1072 CG ARG A 73 1.506 0.404 -19.652 1.00 0.00 C ATOM 1073 CD ARG A 73 0.415 1.445 -19.854 1.00 0.00 C ATOM 1074 NE ARG A 73 -0.909 0.836 -19.958 1.00 0.00 N ATOM 1075 CZ ARG A 73 -1.394 0.320 -21.081 1.00 0.00 C ATOM 1076 NH1 ARG A 73 -0.669 0.338 -22.191 1.00 0.00 N ATOM 1077 NH2 ARG A 73 -2.608 -0.216 -21.096 1.00 0.00 N ATOM 0 H ARG A 73 4.773 1.512 -17.727 1.00 0.00 H new ATOM 0 HA ARG A 73 3.562 -0.905 -18.589 1.00 0.00 H new ATOM 0 HB2 ARG A 73 2.564 1.458 -18.119 1.00 0.00 H new ATOM 0 HB3 ARG A 73 3.078 1.853 -19.747 1.00 0.00 H new ATOM 0 HG2 ARG A 73 1.724 -0.086 -20.601 1.00 0.00 H new ATOM 0 HG3 ARG A 73 1.152 -0.368 -18.969 1.00 0.00 H new ATOM 0 HD2 ARG A 73 0.426 2.148 -19.021 1.00 0.00 H new ATOM 0 HD3 ARG A 73 0.623 2.018 -20.758 1.00 0.00 H new ATOM 0 HE ARG A 73 -1.493 0.806 -19.122 1.00 0.00 H new ATOM 0 HH11 ARG A 73 0.264 0.749 -22.184 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -1.045 -0.059 -23.052 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -3.169 -0.232 -20.244 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -2.980 -0.612 -21.959 1.00 0.00 H new TER 1091 ARG A 73 HETATM 1092 ZN ZN A 201 -9.390 2.505 -3.801 1.00 0.00 ZN HETATM 1093 ZN ZN A 401 -1.374 -7.307 -0.917 1.00 0.00 ZN